============================
I qbox 1.56.2 I
I I
I I
I I
I I
I I
I I
I I
I I
I I
I I
I I
I http://eslab.ucdavis.edu I
============================
1.56.2 bgq-anl
CNK
Q0G-I7-J05.mira.i2b
2013-11-13T12:47:05Z
Task 0 of 4096 (0,0,0,0,0,0) R07-M1-N00-J00
Task 1 of 4096 (0,0,0,0,0,1) R07-M1-N00-J00
Task 2 of 4096 (0,0,0,0,0,2) R07-M1-N00-J00
Task 3 of 4096 (0,0,0,0,0,3) R07-M1-N00-J00
Task 4 of 4096 (0,0,0,0,0,4) R07-M1-N00-J00
Task 5 of 4096 (0,0,0,0,0,5) R07-M1-N00-J00
Task 6 of 4096 (0,0,0,0,0,6) R07-M1-N00-J00
Task 7 of 4096 (0,0,0,0,0,7) R07-M1-N00-J00
Task 8 of 4096 (0,0,0,0,0,8) R07-M1-N00-J00
Task 9 of 4096 (0,0,0,0,0,9) R07-M1-N00-J00
Task 10 of 4096 (0,0,0,0,0,10) R07-M1-N00-J00
Task 11 of 4096 (0,0,0,0,0,11) R07-M1-N00-J00
Task 12 of 4096 (0,0,0,0,0,12) R07-M1-N00-J00
Task 13 of 4096 (0,0,0,0,0,13) R07-M1-N00-J00
Task 14 of 4096 (0,0,0,0,0,14) R07-M1-N00-J00
Task 15 of 4096 (0,0,0,0,0,15) R07-M1-N00-J00
Task 16 of 4096 (0,0,0,0,1,0) R07-M1-N00-J07
Task 17 of 4096 (0,0,0,0,1,1) R07-M1-N00-J07
Task 18 of 4096 (0,0,0,0,1,2) R07-M1-N00-J07
Task 19 of 4096 (0,0,0,0,1,3) R07-M1-N00-J07
Task 20 of 4096 (0,0,0,0,1,4) R07-M1-N00-J07
Task 21 of 4096 (0,0,0,0,1,5) R07-M1-N00-J07
Task 22 of 4096 (0,0,0,0,1,6) R07-M1-N00-J07
Task 23 of 4096 (0,0,0,0,1,7) R07-M1-N00-J07
Task 24 of 4096 (0,0,0,0,1,8) R07-M1-N00-J07
Task 25 of 4096 (0,0,0,0,1,9) R07-M1-N00-J07
Task 26 of 4096 (0,0,0,0,1,10) R07-M1-N00-J07
Task 27 of 4096 (0,0,0,0,1,11) R07-M1-N00-J07
Task 28 of 4096 (0,0,0,0,1,12) R07-M1-N00-J07
Task 29 of 4096 (0,0,0,0,1,13) R07-M1-N00-J07
Task 30 of 4096 (0,0,0,0,1,14) R07-M1-N00-J07
Task 31 of 4096 (0,0,0,0,1,15) R07-M1-N00-J07
Task 32 of 4096 (0,0,0,1,0,0) R07-M1-N00-J12
Task 33 of 4096 (0,0,0,1,0,1) R07-M1-N00-J12
Task 34 of 4096 (0,0,0,1,0,2) R07-M1-N00-J12
Task 35 of 4096 (0,0,0,1,0,3) R07-M1-N00-J12
Task 36 of 4096 (0,0,0,1,0,4) R07-M1-N00-J12
Task 37 of 4096 (0,0,0,1,0,5) R07-M1-N00-J12
Task 38 of 4096 (0,0,0,1,0,6) R07-M1-N00-J12
Task 39 of 4096 (0,0,0,1,0,7) R07-M1-N00-J12
Task 40 of 4096 (0,0,0,1,0,8) R07-M1-N00-J12
Task 41 of 4096 (0,0,0,1,0,9) R07-M1-N00-J12
Task 42 of 4096 (0,0,0,1,0,10) R07-M1-N00-J12
Task 43 of 4096 (0,0,0,1,0,11) R07-M1-N00-J12
Task 44 of 4096 (0,0,0,1,0,12) R07-M1-N00-J12
Task 45 of 4096 (0,0,0,1,0,13) R07-M1-N00-J12
Task 46 of 4096 (0,0,0,1,0,14) R07-M1-N00-J12
Task 47 of 4096 (0,0,0,1,0,15) R07-M1-N00-J12
Task 48 of 4096 (0,0,0,1,1,0) R07-M1-N00-J11
Task 49 of 4096 (0,0,0,1,1,1) R07-M1-N00-J11
Task 50 of 4096 (0,0,0,1,1,2) R07-M1-N00-J11
Task 51 of 4096 (0,0,0,1,1,3) R07-M1-N00-J11
Task 52 of 4096 (0,0,0,1,1,4) R07-M1-N00-J11
Task 53 of 4096 (0,0,0,1,1,5) R07-M1-N00-J11
Task 54 of 4096 (0,0,0,1,1,6) R07-M1-N00-J11
Task 55 of 4096 (0,0,0,1,1,7) R07-M1-N00-J11
Task 56 of 4096 (0,0,0,1,1,8) R07-M1-N00-J11
Task 57 of 4096 (0,0,0,1,1,9) R07-M1-N00-J11
Task 58 of 4096 (0,0,0,1,1,10) R07-M1-N00-J11
Task 59 of 4096 (0,0,0,1,1,11) R07-M1-N00-J11
Task 60 of 4096 (0,0,0,1,1,12) R07-M1-N00-J11
Task 61 of 4096 (0,0,0,1,1,13) R07-M1-N00-J11
Task 62 of 4096 (0,0,0,1,1,14) R07-M1-N00-J11
Task 63 of 4096 (0,0,0,1,1,15) R07-M1-N00-J11
Task 64 of 4096 (0,0,0,2,0,0) R07-M1-N02-J12
Task 65 of 4096 (0,0,0,2,0,1) R07-M1-N02-J12
Task 66 of 4096 (0,0,0,2,0,2) R07-M1-N02-J12
Task 67 of 4096 (0,0,0,2,0,3) R07-M1-N02-J12
Task 68 of 4096 (0,0,0,2,0,4) R07-M1-N02-J12
Task 69 of 4096 (0,0,0,2,0,5) R07-M1-N02-J12
Task 70 of 4096 (0,0,0,2,0,6) R07-M1-N02-J12
Task 71 of 4096 (0,0,0,2,0,7) R07-M1-N02-J12
Task 72 of 4096 (0,0,0,2,0,8) R07-M1-N02-J12
Task 73 of 4096 (0,0,0,2,0,9) R07-M1-N02-J12
Task 74 of 4096 (0,0,0,2,0,10) R07-M1-N02-J12
Task 75 of 4096 (0,0,0,2,0,11) R07-M1-N02-J12
Task 76 of 4096 (0,0,0,2,0,12) R07-M1-N02-J12
Task 77 of 4096 (0,0,0,2,0,13) R07-M1-N02-J12
Task 78 of 4096 (0,0,0,2,0,14) R07-M1-N02-J12
Task 79 of 4096 (0,0,0,2,0,15) R07-M1-N02-J12
Task 80 of 4096 (0,0,0,2,1,0) R07-M1-N02-J11
Task 81 of 4096 (0,0,0,2,1,1) R07-M1-N02-J11
Task 82 of 4096 (0,0,0,2,1,2) R07-M1-N02-J11
Task 83 of 4096 (0,0,0,2,1,3) R07-M1-N02-J11
Task 84 of 4096 (0,0,0,2,1,4) R07-M1-N02-J11
Task 85 of 4096 (0,0,0,2,1,5) R07-M1-N02-J11
Task 86 of 4096 (0,0,0,2,1,6) R07-M1-N02-J11
Task 87 of 4096 (0,0,0,2,1,7) R07-M1-N02-J11
Task 88 of 4096 (0,0,0,2,1,8) R07-M1-N02-J11
Task 89 of 4096 (0,0,0,2,1,9) R07-M1-N02-J11
Task 90 of 4096 (0,0,0,2,1,10) R07-M1-N02-J11
Task 91 of 4096 (0,0,0,2,1,11) R07-M1-N02-J11
Task 92 of 4096 (0,0,0,2,1,12) R07-M1-N02-J11
Task 93 of 4096 (0,0,0,2,1,13) R07-M1-N02-J11
Task 94 of 4096 (0,0,0,2,1,14) R07-M1-N02-J11
Task 95 of 4096 (0,0,0,2,1,15) R07-M1-N02-J11
Task 96 of 4096 (0,0,0,3,0,0) R07-M1-N02-J00
Task 97 of 4096 (0,0,0,3,0,1) R07-M1-N02-J00
Task 98 of 4096 (0,0,0,3,0,2) R07-M1-N02-J00
Task 99 of 4096 (0,0,0,3,0,3) R07-M1-N02-J00
Task 100 of 4096 (0,0,0,3,0,4) R07-M1-N02-J00
Task 101 of 4096 (0,0,0,3,0,5) R07-M1-N02-J00
Task 102 of 4096 (0,0,0,3,0,6) R07-M1-N02-J00
Task 103 of 4096 (0,0,0,3,0,7) R07-M1-N02-J00
Task 104 of 4096 (0,0,0,3,0,8) R07-M1-N02-J00
Task 105 of 4096 (0,0,0,3,0,9) R07-M1-N02-J00
Task 106 of 4096 (0,0,0,3,0,10) R07-M1-N02-J00
Task 107 of 4096 (0,0,0,3,0,11) R07-M1-N02-J00
Task 108 of 4096 (0,0,0,3,0,12) R07-M1-N02-J00
Task 109 of 4096 (0,0,0,3,0,13) R07-M1-N02-J00
Task 110 of 4096 (0,0,0,3,0,14) R07-M1-N02-J00
Task 111 of 4096 (0,0,0,3,0,15) R07-M1-N02-J00
Task 112 of 4096 (0,0,0,3,1,0) R07-M1-N02-J07
Task 113 of 4096 (0,0,0,3,1,1) R07-M1-N02-J07
Task 114 of 4096 (0,0,0,3,1,2) R07-M1-N02-J07
Task 115 of 4096 (0,0,0,3,1,3) R07-M1-N02-J07
Task 116 of 4096 (0,0,0,3,1,4) R07-M1-N02-J07
Task 117 of 4096 (0,0,0,3,1,5) R07-M1-N02-J07
Task 118 of 4096 (0,0,0,3,1,6) R07-M1-N02-J07
Task 119 of 4096 (0,0,0,3,1,7) R07-M1-N02-J07
Task 120 of 4096 (0,0,0,3,1,8) R07-M1-N02-J07
Task 121 of 4096 (0,0,0,3,1,9) R07-M1-N02-J07
Task 122 of 4096 (0,0,0,3,1,10) R07-M1-N02-J07
Task 123 of 4096 (0,0,0,3,1,11) R07-M1-N02-J07
Task 124 of 4096 (0,0,0,3,1,12) R07-M1-N02-J07
Task 125 of 4096 (0,0,0,3,1,13) R07-M1-N02-J07
Task 126 of 4096 (0,0,0,3,1,14) R07-M1-N02-J07
Task 127 of 4096 (0,0,0,3,1,15) R07-M1-N02-J07
Task 128 of 4096 (0,0,1,0,0,0) R07-M1-N00-J01
Task 129 of 4096 (0,0,1,0,0,1) R07-M1-N00-J01
Task 130 of 4096 (0,0,1,0,0,2) R07-M1-N00-J01
Task 131 of 4096 (0,0,1,0,0,3) R07-M1-N00-J01
Task 132 of 4096 (0,0,1,0,0,4) R07-M1-N00-J01
Task 133 of 4096 (0,0,1,0,0,5) R07-M1-N00-J01
Task 134 of 4096 (0,0,1,0,0,6) R07-M1-N00-J01
Task 135 of 4096 (0,0,1,0,0,7) R07-M1-N00-J01
Task 136 of 4096 (0,0,1,0,0,8) R07-M1-N00-J01
Task 137 of 4096 (0,0,1,0,0,9) R07-M1-N00-J01
Task 138 of 4096 (0,0,1,0,0,10) R07-M1-N00-J01
Task 139 of 4096 (0,0,1,0,0,11) R07-M1-N00-J01
Task 140 of 4096 (0,0,1,0,0,12) R07-M1-N00-J01
Task 141 of 4096 (0,0,1,0,0,13) R07-M1-N00-J01
Task 142 of 4096 (0,0,1,0,0,14) R07-M1-N00-J01
Task 143 of 4096 (0,0,1,0,0,15) R07-M1-N00-J01
Task 144 of 4096 (0,0,1,0,1,0) R07-M1-N00-J06
Task 145 of 4096 (0,0,1,0,1,1) R07-M1-N00-J06
Task 146 of 4096 (0,0,1,0,1,2) R07-M1-N00-J06
Task 147 of 4096 (0,0,1,0,1,3) R07-M1-N00-J06
Task 148 of 4096 (0,0,1,0,1,4) R07-M1-N00-J06
Task 149 of 4096 (0,0,1,0,1,5) R07-M1-N00-J06
Task 150 of 4096 (0,0,1,0,1,6) R07-M1-N00-J06
Task 151 of 4096 (0,0,1,0,1,7) R07-M1-N00-J06
Task 152 of 4096 (0,0,1,0,1,8) R07-M1-N00-J06
Task 153 of 4096 (0,0,1,0,1,9) R07-M1-N00-J06
Task 154 of 4096 (0,0,1,0,1,10) R07-M1-N00-J06
Task 155 of 4096 (0,0,1,0,1,11) R07-M1-N00-J06
Task 156 of 4096 (0,0,1,0,1,12) R07-M1-N00-J06
Task 157 of 4096 (0,0,1,0,1,13) R07-M1-N00-J06
Task 158 of 4096 (0,0,1,0,1,14) R07-M1-N00-J06
Task 159 of 4096 (0,0,1,0,1,15) R07-M1-N00-J06
Task 160 of 4096 (0,0,1,1,0,0) R07-M1-N00-J13
Task 161 of 4096 (0,0,1,1,0,1) R07-M1-N00-J13
Task 162 of 4096 (0,0,1,1,0,2) R07-M1-N00-J13
Task 163 of 4096 (0,0,1,1,0,3) R07-M1-N00-J13
Task 164 of 4096 (0,0,1,1,0,4) R07-M1-N00-J13
Task 165 of 4096 (0,0,1,1,0,5) R07-M1-N00-J13
Task 166 of 4096 (0,0,1,1,0,6) R07-M1-N00-J13
Task 167 of 4096 (0,0,1,1,0,7) R07-M1-N00-J13
Task 168 of 4096 (0,0,1,1,0,8) R07-M1-N00-J13
Task 169 of 4096 (0,0,1,1,0,9) R07-M1-N00-J13
Task 170 of 4096 (0,0,1,1,0,10) R07-M1-N00-J13
Task 171 of 4096 (0,0,1,1,0,11) R07-M1-N00-J13
Task 172 of 4096 (0,0,1,1,0,12) R07-M1-N00-J13
Task 173 of 4096 (0,0,1,1,0,13) R07-M1-N00-J13
Task 174 of 4096 (0,0,1,1,0,14) R07-M1-N00-J13
Task 175 of 4096 (0,0,1,1,0,15) R07-M1-N00-J13
Task 176 of 4096 (0,0,1,1,1,0) R07-M1-N00-J10
Task 177 of 4096 (0,0,1,1,1,1) R07-M1-N00-J10
Task 178 of 4096 (0,0,1,1,1,2) R07-M1-N00-J10
Task 179 of 4096 (0,0,1,1,1,3) R07-M1-N00-J10
Task 180 of 4096 (0,0,1,1,1,4) R07-M1-N00-J10
Task 181 of 4096 (0,0,1,1,1,5) R07-M1-N00-J10
Task 182 of 4096 (0,0,1,1,1,6) R07-M1-N00-J10
Task 183 of 4096 (0,0,1,1,1,7) R07-M1-N00-J10
Task 184 of 4096 (0,0,1,1,1,8) R07-M1-N00-J10
Task 185 of 4096 (0,0,1,1,1,9) R07-M1-N00-J10
Task 186 of 4096 (0,0,1,1,1,10) R07-M1-N00-J10
Task 187 of 4096 (0,0,1,1,1,11) R07-M1-N00-J10
Task 188 of 4096 (0,0,1,1,1,12) R07-M1-N00-J10
Task 189 of 4096 (0,0,1,1,1,13) R07-M1-N00-J10
Task 190 of 4096 (0,0,1,1,1,14) R07-M1-N00-J10
Task 191 of 4096 (0,0,1,1,1,15) R07-M1-N00-J10
Task 192 of 4096 (0,0,1,2,0,0) R07-M1-N02-J13
Task 193 of 4096 (0,0,1,2,0,1) R07-M1-N02-J13
Task 194 of 4096 (0,0,1,2,0,2) R07-M1-N02-J13
Task 195 of 4096 (0,0,1,2,0,3) R07-M1-N02-J13
Task 196 of 4096 (0,0,1,2,0,4) R07-M1-N02-J13
Task 197 of 4096 (0,0,1,2,0,5) R07-M1-N02-J13
Task 198 of 4096 (0,0,1,2,0,6) R07-M1-N02-J13
Task 199 of 4096 (0,0,1,2,0,7) R07-M1-N02-J13
Task 200 of 4096 (0,0,1,2,0,8) R07-M1-N02-J13
Task 201 of 4096 (0,0,1,2,0,9) R07-M1-N02-J13
Task 202 of 4096 (0,0,1,2,0,10) R07-M1-N02-J13
Task 203 of 4096 (0,0,1,2,0,11) R07-M1-N02-J13
Task 204 of 4096 (0,0,1,2,0,12) R07-M1-N02-J13
Task 205 of 4096 (0,0,1,2,0,13) R07-M1-N02-J13
Task 206 of 4096 (0,0,1,2,0,14) R07-M1-N02-J13
Task 207 of 4096 (0,0,1,2,0,15) R07-M1-N02-J13
Task 208 of 4096 (0,0,1,2,1,0) R07-M1-N02-J10
Task 209 of 4096 (0,0,1,2,1,1) R07-M1-N02-J10
Task 210 of 4096 (0,0,1,2,1,2) R07-M1-N02-J10
Task 211 of 4096 (0,0,1,2,1,3) R07-M1-N02-J10
Task 212 of 4096 (0,0,1,2,1,4) R07-M1-N02-J10
Task 213 of 4096 (0,0,1,2,1,5) R07-M1-N02-J10
Task 214 of 4096 (0,0,1,2,1,6) R07-M1-N02-J10
Task 215 of 4096 (0,0,1,2,1,7) R07-M1-N02-J10
Task 216 of 4096 (0,0,1,2,1,8) R07-M1-N02-J10
Task 217 of 4096 (0,0,1,2,1,9) R07-M1-N02-J10
Task 218 of 4096 (0,0,1,2,1,10) R07-M1-N02-J10
Task 219 of 4096 (0,0,1,2,1,11) R07-M1-N02-J10
Task 220 of 4096 (0,0,1,2,1,12) R07-M1-N02-J10
Task 221 of 4096 (0,0,1,2,1,13) R07-M1-N02-J10
Task 222 of 4096 (0,0,1,2,1,14) R07-M1-N02-J10
Task 223 of 4096 (0,0,1,2,1,15) R07-M1-N02-J10
Task 224 of 4096 (0,0,1,3,0,0) R07-M1-N02-J01
Task 225 of 4096 (0,0,1,3,0,1) R07-M1-N02-J01
Task 226 of 4096 (0,0,1,3,0,2) R07-M1-N02-J01
Task 227 of 4096 (0,0,1,3,0,3) R07-M1-N02-J01
Task 228 of 4096 (0,0,1,3,0,4) R07-M1-N02-J01
Task 229 of 4096 (0,0,1,3,0,5) R07-M1-N02-J01
Task 230 of 4096 (0,0,1,3,0,6) R07-M1-N02-J01
Task 231 of 4096 (0,0,1,3,0,7) R07-M1-N02-J01
Task 232 of 4096 (0,0,1,3,0,8) R07-M1-N02-J01
Task 233 of 4096 (0,0,1,3,0,9) R07-M1-N02-J01
Task 234 of 4096 (0,0,1,3,0,10) R07-M1-N02-J01
Task 235 of 4096 (0,0,1,3,0,11) R07-M1-N02-J01
Task 236 of 4096 (0,0,1,3,0,12) R07-M1-N02-J01
Task 237 of 4096 (0,0,1,3,0,13) R07-M1-N02-J01
Task 238 of 4096 (0,0,1,3,0,14) R07-M1-N02-J01
Task 239 of 4096 (0,0,1,3,0,15) R07-M1-N02-J01
Task 240 of 4096 (0,0,1,3,1,0) R07-M1-N02-J06
Task 241 of 4096 (0,0,1,3,1,1) R07-M1-N02-J06
Task 242 of 4096 (0,0,1,3,1,2) R07-M1-N02-J06
Task 243 of 4096 (0,0,1,3,1,3) R07-M1-N02-J06
Task 244 of 4096 (0,0,1,3,1,4) R07-M1-N02-J06
Task 245 of 4096 (0,0,1,3,1,5) R07-M1-N02-J06
Task 246 of 4096 (0,0,1,3,1,6) R07-M1-N02-J06
Task 247 of 4096 (0,0,1,3,1,7) R07-M1-N02-J06
Task 248 of 4096 (0,0,1,3,1,8) R07-M1-N02-J06
Task 249 of 4096 (0,0,1,3,1,9) R07-M1-N02-J06
Task 250 of 4096 (0,0,1,3,1,10) R07-M1-N02-J06
Task 251 of 4096 (0,0,1,3,1,11) R07-M1-N02-J06
Task 252 of 4096 (0,0,1,3,1,12) R07-M1-N02-J06
Task 253 of 4096 (0,0,1,3,1,13) R07-M1-N02-J06
Task 254 of 4096 (0,0,1,3,1,14) R07-M1-N02-J06
Task 255 of 4096 (0,0,1,3,1,15) R07-M1-N02-J06
Task 256 of 4096 (0,0,2,0,0,0) R07-M1-N01-J01
Task 257 of 4096 (0,0,2,0,0,1) R07-M1-N01-J01
Task 258 of 4096 (0,0,2,0,0,2) R07-M1-N01-J01
Task 259 of 4096 (0,0,2,0,0,3) R07-M1-N01-J01
Task 260 of 4096 (0,0,2,0,0,4) R07-M1-N01-J01
Task 261 of 4096 (0,0,2,0,0,5) R07-M1-N01-J01
Task 262 of 4096 (0,0,2,0,0,6) R07-M1-N01-J01
Task 263 of 4096 (0,0,2,0,0,7) R07-M1-N01-J01
Task 264 of 4096 (0,0,2,0,0,8) R07-M1-N01-J01
Task 265 of 4096 (0,0,2,0,0,9) R07-M1-N01-J01
Task 266 of 4096 (0,0,2,0,0,10) R07-M1-N01-J01
Task 267 of 4096 (0,0,2,0,0,11) R07-M1-N01-J01
Task 268 of 4096 (0,0,2,0,0,12) R07-M1-N01-J01
Task 269 of 4096 (0,0,2,0,0,13) R07-M1-N01-J01
Task 270 of 4096 (0,0,2,0,0,14) R07-M1-N01-J01
Task 271 of 4096 (0,0,2,0,0,15) R07-M1-N01-J01
Task 272 of 4096 (0,0,2,0,1,0) R07-M1-N01-J06
Task 273 of 4096 (0,0,2,0,1,1) R07-M1-N01-J06
Task 274 of 4096 (0,0,2,0,1,2) R07-M1-N01-J06
Task 275 of 4096 (0,0,2,0,1,3) R07-M1-N01-J06
Task 276 of 4096 (0,0,2,0,1,4) R07-M1-N01-J06
Task 277 of 4096 (0,0,2,0,1,5) R07-M1-N01-J06
Task 278 of 4096 (0,0,2,0,1,6) R07-M1-N01-J06
Task 279 of 4096 (0,0,2,0,1,7) R07-M1-N01-J06
Task 280 of 4096 (0,0,2,0,1,8) R07-M1-N01-J06
Task 281 of 4096 (0,0,2,0,1,9) R07-M1-N01-J06
Task 282 of 4096 (0,0,2,0,1,10) R07-M1-N01-J06
Task 283 of 4096 (0,0,2,0,1,11) R07-M1-N01-J06
Task 284 of 4096 (0,0,2,0,1,12) R07-M1-N01-J06
Task 285 of 4096 (0,0,2,0,1,13) R07-M1-N01-J06
Task 286 of 4096 (0,0,2,0,1,14) R07-M1-N01-J06
Task 287 of 4096 (0,0,2,0,1,15) R07-M1-N01-J06
Task 288 of 4096 (0,0,2,1,0,0) R07-M1-N01-J13
Task 289 of 4096 (0,0,2,1,0,1) R07-M1-N01-J13
Task 290 of 4096 (0,0,2,1,0,2) R07-M1-N01-J13
Task 291 of 4096 (0,0,2,1,0,3) R07-M1-N01-J13
Task 292 of 4096 (0,0,2,1,0,4) R07-M1-N01-J13
Task 293 of 4096 (0,0,2,1,0,5) R07-M1-N01-J13
Task 294 of 4096 (0,0,2,1,0,6) R07-M1-N01-J13
Task 295 of 4096 (0,0,2,1,0,7) R07-M1-N01-J13
Task 296 of 4096 (0,0,2,1,0,8) R07-M1-N01-J13
Task 297 of 4096 (0,0,2,1,0,9) R07-M1-N01-J13
Task 298 of 4096 (0,0,2,1,0,10) R07-M1-N01-J13
Task 299 of 4096 (0,0,2,1,0,11) R07-M1-N01-J13
Task 300 of 4096 (0,0,2,1,0,12) R07-M1-N01-J13
Task 301 of 4096 (0,0,2,1,0,13) R07-M1-N01-J13
Task 302 of 4096 (0,0,2,1,0,14) R07-M1-N01-J13
Task 303 of 4096 (0,0,2,1,0,15) R07-M1-N01-J13
Task 304 of 4096 (0,0,2,1,1,0) R07-M1-N01-J10
Task 305 of 4096 (0,0,2,1,1,1) R07-M1-N01-J10
Task 306 of 4096 (0,0,2,1,1,2) R07-M1-N01-J10
Task 307 of 4096 (0,0,2,1,1,3) R07-M1-N01-J10
Task 308 of 4096 (0,0,2,1,1,4) R07-M1-N01-J10
Task 309 of 4096 (0,0,2,1,1,5) R07-M1-N01-J10
Task 310 of 4096 (0,0,2,1,1,6) R07-M1-N01-J10
Task 311 of 4096 (0,0,2,1,1,7) R07-M1-N01-J10
Task 312 of 4096 (0,0,2,1,1,8) R07-M1-N01-J10
Task 313 of 4096 (0,0,2,1,1,9) R07-M1-N01-J10
Task 314 of 4096 (0,0,2,1,1,10) R07-M1-N01-J10
Task 315 of 4096 (0,0,2,1,1,11) R07-M1-N01-J10
Task 316 of 4096 (0,0,2,1,1,12) R07-M1-N01-J10
Task 317 of 4096 (0,0,2,1,1,13) R07-M1-N01-J10
Task 318 of 4096 (0,0,2,1,1,14) R07-M1-N01-J10
Task 319 of 4096 (0,0,2,1,1,15) R07-M1-N01-J10
Task 320 of 4096 (0,0,2,2,0,0) R07-M1-N03-J13
Task 321 of 4096 (0,0,2,2,0,1) R07-M1-N03-J13
Task 322 of 4096 (0,0,2,2,0,2) R07-M1-N03-J13
Task 323 of 4096 (0,0,2,2,0,3) R07-M1-N03-J13
Task 324 of 4096 (0,0,2,2,0,4) R07-M1-N03-J13
Task 325 of 4096 (0,0,2,2,0,5) R07-M1-N03-J13
Task 326 of 4096 (0,0,2,2,0,6) R07-M1-N03-J13
Task 327 of 4096 (0,0,2,2,0,7) R07-M1-N03-J13
Task 328 of 4096 (0,0,2,2,0,8) R07-M1-N03-J13
Task 329 of 4096 (0,0,2,2,0,9) R07-M1-N03-J13
Task 330 of 4096 (0,0,2,2,0,10) R07-M1-N03-J13
Task 331 of 4096 (0,0,2,2,0,11) R07-M1-N03-J13
Task 332 of 4096 (0,0,2,2,0,12) R07-M1-N03-J13
Task 333 of 4096 (0,0,2,2,0,13) R07-M1-N03-J13
Task 334 of 4096 (0,0,2,2,0,14) R07-M1-N03-J13
Task 335 of 4096 (0,0,2,2,0,15) R07-M1-N03-J13
Task 336 of 4096 (0,0,2,2,1,0) R07-M1-N03-J10
Task 337 of 4096 (0,0,2,2,1,1) R07-M1-N03-J10
Task 338 of 4096 (0,0,2,2,1,2) R07-M1-N03-J10
Task 339 of 4096 (0,0,2,2,1,3) R07-M1-N03-J10
Task 340 of 4096 (0,0,2,2,1,4) R07-M1-N03-J10
Task 341 of 4096 (0,0,2,2,1,5) R07-M1-N03-J10
Task 342 of 4096 (0,0,2,2,1,6) R07-M1-N03-J10
Task 343 of 4096 (0,0,2,2,1,7) R07-M1-N03-J10
Task 344 of 4096 (0,0,2,2,1,8) R07-M1-N03-J10
Task 345 of 4096 (0,0,2,2,1,9) R07-M1-N03-J10
Task 346 of 4096 (0,0,2,2,1,10) R07-M1-N03-J10
Task 347 of 4096 (0,0,2,2,1,11) R07-M1-N03-J10
Task 348 of 4096 (0,0,2,2,1,12) R07-M1-N03-J10
Task 349 of 4096 (0,0,2,2,1,13) R07-M1-N03-J10
Task 350 of 4096 (0,0,2,2,1,14) R07-M1-N03-J10
Task 351 of 4096 (0,0,2,2,1,15) R07-M1-N03-J10
Task 352 of 4096 (0,0,2,3,0,0) R07-M1-N03-J01
Task 353 of 4096 (0,0,2,3,0,1) R07-M1-N03-J01
Task 354 of 4096 (0,0,2,3,0,2) R07-M1-N03-J01
Task 355 of 4096 (0,0,2,3,0,3) R07-M1-N03-J01
Task 356 of 4096 (0,0,2,3,0,4) R07-M1-N03-J01
Task 357 of 4096 (0,0,2,3,0,5) R07-M1-N03-J01
Task 358 of 4096 (0,0,2,3,0,6) R07-M1-N03-J01
Task 359 of 4096 (0,0,2,3,0,7) R07-M1-N03-J01
Task 360 of 4096 (0,0,2,3,0,8) R07-M1-N03-J01
Task 361 of 4096 (0,0,2,3,0,9) R07-M1-N03-J01
Task 362 of 4096 (0,0,2,3,0,10) R07-M1-N03-J01
Task 363 of 4096 (0,0,2,3,0,11) R07-M1-N03-J01
Task 364 of 4096 (0,0,2,3,0,12) R07-M1-N03-J01
Task 365 of 4096 (0,0,2,3,0,13) R07-M1-N03-J01
Task 366 of 4096 (0,0,2,3,0,14) R07-M1-N03-J01
Task 367 of 4096 (0,0,2,3,0,15) R07-M1-N03-J01
Task 368 of 4096 (0,0,2,3,1,0) R07-M1-N03-J06
Task 369 of 4096 (0,0,2,3,1,1) R07-M1-N03-J06
Task 370 of 4096 (0,0,2,3,1,2) R07-M1-N03-J06
Task 371 of 4096 (0,0,2,3,1,3) R07-M1-N03-J06
Task 372 of 4096 (0,0,2,3,1,4) R07-M1-N03-J06
Task 373 of 4096 (0,0,2,3,1,5) R07-M1-N03-J06
Task 374 of 4096 (0,0,2,3,1,6) R07-M1-N03-J06
Task 375 of 4096 (0,0,2,3,1,7) R07-M1-N03-J06
Task 376 of 4096 (0,0,2,3,1,8) R07-M1-N03-J06
Task 377 of 4096 (0,0,2,3,1,9) R07-M1-N03-J06
Task 378 of 4096 (0,0,2,3,1,10) R07-M1-N03-J06
Task 379 of 4096 (0,0,2,3,1,11) R07-M1-N03-J06
Task 380 of 4096 (0,0,2,3,1,12) R07-M1-N03-J06
Task 381 of 4096 (0,0,2,3,1,13) R07-M1-N03-J06
Task 382 of 4096 (0,0,2,3,1,14) R07-M1-N03-J06
Task 383 of 4096 (0,0,2,3,1,15) R07-M1-N03-J06
Task 384 of 4096 (0,0,3,0,0,0) R07-M1-N01-J00
Task 385 of 4096 (0,0,3,0,0,1) R07-M1-N01-J00
Task 386 of 4096 (0,0,3,0,0,2) R07-M1-N01-J00
Task 387 of 4096 (0,0,3,0,0,3) R07-M1-N01-J00
Task 388 of 4096 (0,0,3,0,0,4) R07-M1-N01-J00
Task 389 of 4096 (0,0,3,0,0,5) R07-M1-N01-J00
Task 390 of 4096 (0,0,3,0,0,6) R07-M1-N01-J00
Task 391 of 4096 (0,0,3,0,0,7) R07-M1-N01-J00
Task 392 of 4096 (0,0,3,0,0,8) R07-M1-N01-J00
Task 393 of 4096 (0,0,3,0,0,9) R07-M1-N01-J00
Task 394 of 4096 (0,0,3,0,0,10) R07-M1-N01-J00
Task 395 of 4096 (0,0,3,0,0,11) R07-M1-N01-J00
Task 396 of 4096 (0,0,3,0,0,12) R07-M1-N01-J00
Task 397 of 4096 (0,0,3,0,0,13) R07-M1-N01-J00
Task 398 of 4096 (0,0,3,0,0,14) R07-M1-N01-J00
Task 399 of 4096 (0,0,3,0,0,15) R07-M1-N01-J00
Task 400 of 4096 (0,0,3,0,1,0) R07-M1-N01-J07
Task 401 of 4096 (0,0,3,0,1,1) R07-M1-N01-J07
Task 402 of 4096 (0,0,3,0,1,2) R07-M1-N01-J07
Task 403 of 4096 (0,0,3,0,1,3) R07-M1-N01-J07
Task 404 of 4096 (0,0,3,0,1,4) R07-M1-N01-J07
Task 405 of 4096 (0,0,3,0,1,5) R07-M1-N01-J07
Task 406 of 4096 (0,0,3,0,1,6) R07-M1-N01-J07
Task 407 of 4096 (0,0,3,0,1,7) R07-M1-N01-J07
Task 408 of 4096 (0,0,3,0,1,8) R07-M1-N01-J07
Task 409 of 4096 (0,0,3,0,1,9) R07-M1-N01-J07
Task 410 of 4096 (0,0,3,0,1,10) R07-M1-N01-J07
Task 411 of 4096 (0,0,3,0,1,11) R07-M1-N01-J07
Task 412 of 4096 (0,0,3,0,1,12) R07-M1-N01-J07
Task 413 of 4096 (0,0,3,0,1,13) R07-M1-N01-J07
Task 414 of 4096 (0,0,3,0,1,14) R07-M1-N01-J07
Task 415 of 4096 (0,0,3,0,1,15) R07-M1-N01-J07
Task 416 of 4096 (0,0,3,1,0,0) R07-M1-N01-J12
Task 417 of 4096 (0,0,3,1,0,1) R07-M1-N01-J12
Task 418 of 4096 (0,0,3,1,0,2) R07-M1-N01-J12
Task 419 of 4096 (0,0,3,1,0,3) R07-M1-N01-J12
Task 420 of 4096 (0,0,3,1,0,4) R07-M1-N01-J12
Task 421 of 4096 (0,0,3,1,0,5) R07-M1-N01-J12
Task 422 of 4096 (0,0,3,1,0,6) R07-M1-N01-J12
Task 423 of 4096 (0,0,3,1,0,7) R07-M1-N01-J12
Task 424 of 4096 (0,0,3,1,0,8) R07-M1-N01-J12
Task 425 of 4096 (0,0,3,1,0,9) R07-M1-N01-J12
Task 426 of 4096 (0,0,3,1,0,10) R07-M1-N01-J12
Task 427 of 4096 (0,0,3,1,0,11) R07-M1-N01-J12
Task 428 of 4096 (0,0,3,1,0,12) R07-M1-N01-J12
Task 429 of 4096 (0,0,3,1,0,13) R07-M1-N01-J12
Task 430 of 4096 (0,0,3,1,0,14) R07-M1-N01-J12
Task 431 of 4096 (0,0,3,1,0,15) R07-M1-N01-J12
Task 432 of 4096 (0,0,3,1,1,0) R07-M1-N01-J11
Task 433 of 4096 (0,0,3,1,1,1) R07-M1-N01-J11
Task 434 of 4096 (0,0,3,1,1,2) R07-M1-N01-J11
Task 435 of 4096 (0,0,3,1,1,3) R07-M1-N01-J11
Task 436 of 4096 (0,0,3,1,1,4) R07-M1-N01-J11
Task 437 of 4096 (0,0,3,1,1,5) R07-M1-N01-J11
Task 438 of 4096 (0,0,3,1,1,6) R07-M1-N01-J11
Task 439 of 4096 (0,0,3,1,1,7) R07-M1-N01-J11
Task 440 of 4096 (0,0,3,1,1,8) R07-M1-N01-J11
Task 441 of 4096 (0,0,3,1,1,9) R07-M1-N01-J11
Task 442 of 4096 (0,0,3,1,1,10) R07-M1-N01-J11
Task 443 of 4096 (0,0,3,1,1,11) R07-M1-N01-J11
Task 444 of 4096 (0,0,3,1,1,12) R07-M1-N01-J11
Task 445 of 4096 (0,0,3,1,1,13) R07-M1-N01-J11
Task 446 of 4096 (0,0,3,1,1,14) R07-M1-N01-J11
Task 447 of 4096 (0,0,3,1,1,15) R07-M1-N01-J11
Task 448 of 4096 (0,0,3,2,0,0) R07-M1-N03-J12
Task 449 of 4096 (0,0,3,2,0,1) R07-M1-N03-J12
Task 450 of 4096 (0,0,3,2,0,2) R07-M1-N03-J12
Task 451 of 4096 (0,0,3,2,0,3) R07-M1-N03-J12
Task 452 of 4096 (0,0,3,2,0,4) R07-M1-N03-J12
Task 453 of 4096 (0,0,3,2,0,5) R07-M1-N03-J12
Task 454 of 4096 (0,0,3,2,0,6) R07-M1-N03-J12
Task 455 of 4096 (0,0,3,2,0,7) R07-M1-N03-J12
Task 456 of 4096 (0,0,3,2,0,8) R07-M1-N03-J12
Task 457 of 4096 (0,0,3,2,0,9) R07-M1-N03-J12
Task 458 of 4096 (0,0,3,2,0,10) R07-M1-N03-J12
Task 459 of 4096 (0,0,3,2,0,11) R07-M1-N03-J12
Task 460 of 4096 (0,0,3,2,0,12) R07-M1-N03-J12
Task 461 of 4096 (0,0,3,2,0,13) R07-M1-N03-J12
Task 462 of 4096 (0,0,3,2,0,14) R07-M1-N03-J12
Task 463 of 4096 (0,0,3,2,0,15) R07-M1-N03-J12
Task 464 of 4096 (0,0,3,2,1,0) R07-M1-N03-J11
Task 465 of 4096 (0,0,3,2,1,1) R07-M1-N03-J11
Task 466 of 4096 (0,0,3,2,1,2) R07-M1-N03-J11
Task 467 of 4096 (0,0,3,2,1,3) R07-M1-N03-J11
Task 468 of 4096 (0,0,3,2,1,4) R07-M1-N03-J11
Task 469 of 4096 (0,0,3,2,1,5) R07-M1-N03-J11
Task 470 of 4096 (0,0,3,2,1,6) R07-M1-N03-J11
Task 471 of 4096 (0,0,3,2,1,7) R07-M1-N03-J11
Task 472 of 4096 (0,0,3,2,1,8) R07-M1-N03-J11
Task 473 of 4096 (0,0,3,2,1,9) R07-M1-N03-J11
Task 474 of 4096 (0,0,3,2,1,10) R07-M1-N03-J11
Task 475 of 4096 (0,0,3,2,1,11) R07-M1-N03-J11
Task 476 of 4096 (0,0,3,2,1,12) R07-M1-N03-J11
Task 477 of 4096 (0,0,3,2,1,13) R07-M1-N03-J11
Task 478 of 4096 (0,0,3,2,1,14) R07-M1-N03-J11
Task 479 of 4096 (0,0,3,2,1,15) R07-M1-N03-J11
Task 480 of 4096 (0,0,3,3,0,0) R07-M1-N03-J00
Task 481 of 4096 (0,0,3,3,0,1) R07-M1-N03-J00
Task 482 of 4096 (0,0,3,3,0,2) R07-M1-N03-J00
Task 483 of 4096 (0,0,3,3,0,3) R07-M1-N03-J00
Task 484 of 4096 (0,0,3,3,0,4) R07-M1-N03-J00
Task 485 of 4096 (0,0,3,3,0,5) R07-M1-N03-J00
Task 486 of 4096 (0,0,3,3,0,6) R07-M1-N03-J00
Task 487 of 4096 (0,0,3,3,0,7) R07-M1-N03-J00
Task 488 of 4096 (0,0,3,3,0,8) R07-M1-N03-J00
Task 489 of 4096 (0,0,3,3,0,9) R07-M1-N03-J00
Task 490 of 4096 (0,0,3,3,0,10) R07-M1-N03-J00
Task 491 of 4096 (0,0,3,3,0,11) R07-M1-N03-J00
Task 492 of 4096 (0,0,3,3,0,12) R07-M1-N03-J00
Task 493 of 4096 (0,0,3,3,0,13) R07-M1-N03-J00
Task 494 of 4096 (0,0,3,3,0,14) R07-M1-N03-J00
Task 495 of 4096 (0,0,3,3,0,15) R07-M1-N03-J00
Task 496 of 4096 (0,0,3,3,1,0) R07-M1-N03-J07
Task 497 of 4096 (0,0,3,3,1,1) R07-M1-N03-J07
Task 498 of 4096 (0,0,3,3,1,2) R07-M1-N03-J07
Task 499 of 4096 (0,0,3,3,1,3) R07-M1-N03-J07
Task 500 of 4096 (0,0,3,3,1,4) R07-M1-N03-J07
Task 501 of 4096 (0,0,3,3,1,5) R07-M1-N03-J07
Task 502 of 4096 (0,0,3,3,1,6) R07-M1-N03-J07
Task 503 of 4096 (0,0,3,3,1,7) R07-M1-N03-J07
Task 504 of 4096 (0,0,3,3,1,8) R07-M1-N03-J07
Task 505 of 4096 (0,0,3,3,1,9) R07-M1-N03-J07
Task 506 of 4096 (0,0,3,3,1,10) R07-M1-N03-J07
Task 507 of 4096 (0,0,3,3,1,11) R07-M1-N03-J07
Task 508 of 4096 (0,0,3,3,1,12) R07-M1-N03-J07
Task 509 of 4096 (0,0,3,3,1,13) R07-M1-N03-J07
Task 510 of 4096 (0,0,3,3,1,14) R07-M1-N03-J07
Task 511 of 4096 (0,0,3,3,1,15) R07-M1-N03-J07
Task 512 of 4096 (0,1,0,0,0,0) R07-M1-N00-J03
Task 513 of 4096 (0,1,0,0,0,1) R07-M1-N00-J03
Task 514 of 4096 (0,1,0,0,0,2) R07-M1-N00-J03
Task 515 of 4096 (0,1,0,0,0,3) R07-M1-N00-J03
Task 516 of 4096 (0,1,0,0,0,4) R07-M1-N00-J03
Task 517 of 4096 (0,1,0,0,0,5) R07-M1-N00-J03
Task 518 of 4096 (0,1,0,0,0,6) R07-M1-N00-J03
Task 519 of 4096 (0,1,0,0,0,7) R07-M1-N00-J03
Task 520 of 4096 (0,1,0,0,0,8) R07-M1-N00-J03
Task 521 of 4096 (0,1,0,0,0,9) R07-M1-N00-J03
Task 522 of 4096 (0,1,0,0,0,10) R07-M1-N00-J03
Task 523 of 4096 (0,1,0,0,0,11) R07-M1-N00-J03
Task 524 of 4096 (0,1,0,0,0,12) R07-M1-N00-J03
Task 525 of 4096 (0,1,0,0,0,13) R07-M1-N00-J03
Task 526 of 4096 (0,1,0,0,0,14) R07-M1-N00-J03
Task 527 of 4096 (0,1,0,0,0,15) R07-M1-N00-J03
Task 528 of 4096 (0,1,0,0,1,0) R07-M1-N00-J04
Task 529 of 4096 (0,1,0,0,1,1) R07-M1-N00-J04
Task 530 of 4096 (0,1,0,0,1,2) R07-M1-N00-J04
Task 531 of 4096 (0,1,0,0,1,3) R07-M1-N00-J04
Task 532 of 4096 (0,1,0,0,1,4) R07-M1-N00-J04
Task 533 of 4096 (0,1,0,0,1,5) R07-M1-N00-J04
Task 534 of 4096 (0,1,0,0,1,6) R07-M1-N00-J04
Task 535 of 4096 (0,1,0,0,1,7) R07-M1-N00-J04
Task 536 of 4096 (0,1,0,0,1,8) R07-M1-N00-J04
Task 537 of 4096 (0,1,0,0,1,9) R07-M1-N00-J04
Task 538 of 4096 (0,1,0,0,1,10) R07-M1-N00-J04
Task 539 of 4096 (0,1,0,0,1,11) R07-M1-N00-J04
Task 540 of 4096 (0,1,0,0,1,12) R07-M1-N00-J04
Task 541 of 4096 (0,1,0,0,1,13) R07-M1-N00-J04
Task 542 of 4096 (0,1,0,0,1,14) R07-M1-N00-J04
Task 543 of 4096 (0,1,0,0,1,15) R07-M1-N00-J04
Task 544 of 4096 (0,1,0,1,0,0) R07-M1-N00-J15
Task 545 of 4096 (0,1,0,1,0,1) R07-M1-N00-J15
Task 546 of 4096 (0,1,0,1,0,2) R07-M1-N00-J15
Task 547 of 4096 (0,1,0,1,0,3) R07-M1-N00-J15
Task 548 of 4096 (0,1,0,1,0,4) R07-M1-N00-J15
Task 549 of 4096 (0,1,0,1,0,5) R07-M1-N00-J15
Task 550 of 4096 (0,1,0,1,0,6) R07-M1-N00-J15
Task 551 of 4096 (0,1,0,1,0,7) R07-M1-N00-J15
Task 552 of 4096 (0,1,0,1,0,8) R07-M1-N00-J15
Task 553 of 4096 (0,1,0,1,0,9) R07-M1-N00-J15
Task 554 of 4096 (0,1,0,1,0,10) R07-M1-N00-J15
Task 555 of 4096 (0,1,0,1,0,11) R07-M1-N00-J15
Task 556 of 4096 (0,1,0,1,0,12) R07-M1-N00-J15
Task 557 of 4096 (0,1,0,1,0,13) R07-M1-N00-J15
Task 558 of 4096 (0,1,0,1,0,14) R07-M1-N00-J15
Task 559 of 4096 (0,1,0,1,0,15) R07-M1-N00-J15
Task 560 of 4096 (0,1,0,1,1,0) R07-M1-N00-J08
Task 561 of 4096 (0,1,0,1,1,1) R07-M1-N00-J08
Task 562 of 4096 (0,1,0,1,1,2) R07-M1-N00-J08
Task 563 of 4096 (0,1,0,1,1,3) R07-M1-N00-J08
Task 564 of 4096 (0,1,0,1,1,4) R07-M1-N00-J08
Task 565 of 4096 (0,1,0,1,1,5) R07-M1-N00-J08
Task 566 of 4096 (0,1,0,1,1,6) R07-M1-N00-J08
Task 567 of 4096 (0,1,0,1,1,7) R07-M1-N00-J08
Task 568 of 4096 (0,1,0,1,1,8) R07-M1-N00-J08
Task 569 of 4096 (0,1,0,1,1,9) R07-M1-N00-J08
Task 570 of 4096 (0,1,0,1,1,10) R07-M1-N00-J08
Task 571 of 4096 (0,1,0,1,1,11) R07-M1-N00-J08
Task 572 of 4096 (0,1,0,1,1,12) R07-M1-N00-J08
Task 573 of 4096 (0,1,0,1,1,13) R07-M1-N00-J08
Task 574 of 4096 (0,1,0,1,1,14) R07-M1-N00-J08
Task 575 of 4096 (0,1,0,1,1,15) R07-M1-N00-J08
Task 576 of 4096 (0,1,0,2,0,0) R07-M1-N02-J15
Task 577 of 4096 (0,1,0,2,0,1) R07-M1-N02-J15
Task 578 of 4096 (0,1,0,2,0,2) R07-M1-N02-J15
Task 579 of 4096 (0,1,0,2,0,3) R07-M1-N02-J15
Task 580 of 4096 (0,1,0,2,0,4) R07-M1-N02-J15
Task 581 of 4096 (0,1,0,2,0,5) R07-M1-N02-J15
Task 582 of 4096 (0,1,0,2,0,6) R07-M1-N02-J15
Task 583 of 4096 (0,1,0,2,0,7) R07-M1-N02-J15
Task 584 of 4096 (0,1,0,2,0,8) R07-M1-N02-J15
Task 585 of 4096 (0,1,0,2,0,9) R07-M1-N02-J15
Task 586 of 4096 (0,1,0,2,0,10) R07-M1-N02-J15
Task 587 of 4096 (0,1,0,2,0,11) R07-M1-N02-J15
Task 588 of 4096 (0,1,0,2,0,12) R07-M1-N02-J15
Task 589 of 4096 (0,1,0,2,0,13) R07-M1-N02-J15
Task 590 of 4096 (0,1,0,2,0,14) R07-M1-N02-J15
Task 591 of 4096 (0,1,0,2,0,15) R07-M1-N02-J15
Task 592 of 4096 (0,1,0,2,1,0) R07-M1-N02-J08
Task 593 of 4096 (0,1,0,2,1,1) R07-M1-N02-J08
Task 594 of 4096 (0,1,0,2,1,2) R07-M1-N02-J08
Task 595 of 4096 (0,1,0,2,1,3) R07-M1-N02-J08
Task 596 of 4096 (0,1,0,2,1,4) R07-M1-N02-J08
Task 597 of 4096 (0,1,0,2,1,5) R07-M1-N02-J08
Task 598 of 4096 (0,1,0,2,1,6) R07-M1-N02-J08
Task 599 of 4096 (0,1,0,2,1,7) R07-M1-N02-J08
Task 600 of 4096 (0,1,0,2,1,8) R07-M1-N02-J08
Task 601 of 4096 (0,1,0,2,1,9) R07-M1-N02-J08
Task 602 of 4096 (0,1,0,2,1,10) R07-M1-N02-J08
Task 603 of 4096 (0,1,0,2,1,11) R07-M1-N02-J08
Task 604 of 4096 (0,1,0,2,1,12) R07-M1-N02-J08
Task 605 of 4096 (0,1,0,2,1,13) R07-M1-N02-J08
Task 606 of 4096 (0,1,0,2,1,14) R07-M1-N02-J08
Task 607 of 4096 (0,1,0,2,1,15) R07-M1-N02-J08
Task 608 of 4096 (0,1,0,3,0,0) R07-M1-N02-J03
Task 609 of 4096 (0,1,0,3,0,1) R07-M1-N02-J03
Task 610 of 4096 (0,1,0,3,0,2) R07-M1-N02-J03
Task 611 of 4096 (0,1,0,3,0,3) R07-M1-N02-J03
Task 612 of 4096 (0,1,0,3,0,4) R07-M1-N02-J03
Task 613 of 4096 (0,1,0,3,0,5) R07-M1-N02-J03
Task 614 of 4096 (0,1,0,3,0,6) R07-M1-N02-J03
Task 615 of 4096 (0,1,0,3,0,7) R07-M1-N02-J03
Task 616 of 4096 (0,1,0,3,0,8) R07-M1-N02-J03
Task 617 of 4096 (0,1,0,3,0,9) R07-M1-N02-J03
Task 618 of 4096 (0,1,0,3,0,10) R07-M1-N02-J03
Task 619 of 4096 (0,1,0,3,0,11) R07-M1-N02-J03
Task 620 of 4096 (0,1,0,3,0,12) R07-M1-N02-J03
Task 621 of 4096 (0,1,0,3,0,13) R07-M1-N02-J03
Task 622 of 4096 (0,1,0,3,0,14) R07-M1-N02-J03
Task 623 of 4096 (0,1,0,3,0,15) R07-M1-N02-J03
Task 624 of 4096 (0,1,0,3,1,0) R07-M1-N02-J04
Task 625 of 4096 (0,1,0,3,1,1) R07-M1-N02-J04
Task 626 of 4096 (0,1,0,3,1,2) R07-M1-N02-J04
Task 627 of 4096 (0,1,0,3,1,3) R07-M1-N02-J04
Task 628 of 4096 (0,1,0,3,1,4) R07-M1-N02-J04
Task 629 of 4096 (0,1,0,3,1,5) R07-M1-N02-J04
Task 630 of 4096 (0,1,0,3,1,6) R07-M1-N02-J04
Task 631 of 4096 (0,1,0,3,1,7) R07-M1-N02-J04
Task 632 of 4096 (0,1,0,3,1,8) R07-M1-N02-J04
Task 633 of 4096 (0,1,0,3,1,9) R07-M1-N02-J04
Task 634 of 4096 (0,1,0,3,1,10) R07-M1-N02-J04
Task 635 of 4096 (0,1,0,3,1,11) R07-M1-N02-J04
Task 636 of 4096 (0,1,0,3,1,12) R07-M1-N02-J04
Task 637 of 4096 (0,1,0,3,1,13) R07-M1-N02-J04
Task 638 of 4096 (0,1,0,3,1,14) R07-M1-N02-J04
Task 639 of 4096 (0,1,0,3,1,15) R07-M1-N02-J04
Task 640 of 4096 (0,1,1,0,0,0) R07-M1-N00-J02
Task 641 of 4096 (0,1,1,0,0,1) R07-M1-N00-J02
Task 642 of 4096 (0,1,1,0,0,2) R07-M1-N00-J02
Task 643 of 4096 (0,1,1,0,0,3) R07-M1-N00-J02
Task 644 of 4096 (0,1,1,0,0,4) R07-M1-N00-J02
Task 645 of 4096 (0,1,1,0,0,5) R07-M1-N00-J02
Task 646 of 4096 (0,1,1,0,0,6) R07-M1-N00-J02
Task 647 of 4096 (0,1,1,0,0,7) R07-M1-N00-J02
Task 648 of 4096 (0,1,1,0,0,8) R07-M1-N00-J02
Task 649 of 4096 (0,1,1,0,0,9) R07-M1-N00-J02
Task 650 of 4096 (0,1,1,0,0,10) R07-M1-N00-J02
Task 651 of 4096 (0,1,1,0,0,11) R07-M1-N00-J02
Task 652 of 4096 (0,1,1,0,0,12) R07-M1-N00-J02
Task 653 of 4096 (0,1,1,0,0,13) R07-M1-N00-J02
Task 654 of 4096 (0,1,1,0,0,14) R07-M1-N00-J02
Task 655 of 4096 (0,1,1,0,0,15) R07-M1-N00-J02
Task 656 of 4096 (0,1,1,0,1,0) R07-M1-N00-J05
Task 657 of 4096 (0,1,1,0,1,1) R07-M1-N00-J05
Task 658 of 4096 (0,1,1,0,1,2) R07-M1-N00-J05
Task 659 of 4096 (0,1,1,0,1,3) R07-M1-N00-J05
Task 660 of 4096 (0,1,1,0,1,4) R07-M1-N00-J05
Task 661 of 4096 (0,1,1,0,1,5) R07-M1-N00-J05
Task 662 of 4096 (0,1,1,0,1,6) R07-M1-N00-J05
Task 663 of 4096 (0,1,1,0,1,7) R07-M1-N00-J05
Task 664 of 4096 (0,1,1,0,1,8) R07-M1-N00-J05
Task 665 of 4096 (0,1,1,0,1,9) R07-M1-N00-J05
Task 666 of 4096 (0,1,1,0,1,10) R07-M1-N00-J05
Task 667 of 4096 (0,1,1,0,1,11) R07-M1-N00-J05
Task 668 of 4096 (0,1,1,0,1,12) R07-M1-N00-J05
Task 669 of 4096 (0,1,1,0,1,13) R07-M1-N00-J05
Task 670 of 4096 (0,1,1,0,1,14) R07-M1-N00-J05
Task 671 of 4096 (0,1,1,0,1,15) R07-M1-N00-J05
Task 672 of 4096 (0,1,1,1,0,0) R07-M1-N00-J14
Task 673 of 4096 (0,1,1,1,0,1) R07-M1-N00-J14
Task 674 of 4096 (0,1,1,1,0,2) R07-M1-N00-J14
Task 675 of 4096 (0,1,1,1,0,3) R07-M1-N00-J14
Task 676 of 4096 (0,1,1,1,0,4) R07-M1-N00-J14
Task 677 of 4096 (0,1,1,1,0,5) R07-M1-N00-J14
Task 678 of 4096 (0,1,1,1,0,6) R07-M1-N00-J14
Task 679 of 4096 (0,1,1,1,0,7) R07-M1-N00-J14
Task 680 of 4096 (0,1,1,1,0,8) R07-M1-N00-J14
Task 681 of 4096 (0,1,1,1,0,9) R07-M1-N00-J14
Task 682 of 4096 (0,1,1,1,0,10) R07-M1-N00-J14
Task 683 of 4096 (0,1,1,1,0,11) R07-M1-N00-J14
Task 684 of 4096 (0,1,1,1,0,12) R07-M1-N00-J14
Task 685 of 4096 (0,1,1,1,0,13) R07-M1-N00-J14
Task 686 of 4096 (0,1,1,1,0,14) R07-M1-N00-J14
Task 687 of 4096 (0,1,1,1,0,15) R07-M1-N00-J14
Task 688 of 4096 (0,1,1,1,1,0) R07-M1-N00-J09
Task 689 of 4096 (0,1,1,1,1,1) R07-M1-N00-J09
Task 690 of 4096 (0,1,1,1,1,2) R07-M1-N00-J09
Task 691 of 4096 (0,1,1,1,1,3) R07-M1-N00-J09
Task 692 of 4096 (0,1,1,1,1,4) R07-M1-N00-J09
Task 693 of 4096 (0,1,1,1,1,5) R07-M1-N00-J09
Task 694 of 4096 (0,1,1,1,1,6) R07-M1-N00-J09
Task 695 of 4096 (0,1,1,1,1,7) R07-M1-N00-J09
Task 696 of 4096 (0,1,1,1,1,8) R07-M1-N00-J09
Task 697 of 4096 (0,1,1,1,1,9) R07-M1-N00-J09
Task 698 of 4096 (0,1,1,1,1,10) R07-M1-N00-J09
Task 699 of 4096 (0,1,1,1,1,11) R07-M1-N00-J09
Task 700 of 4096 (0,1,1,1,1,12) R07-M1-N00-J09
Task 701 of 4096 (0,1,1,1,1,13) R07-M1-N00-J09
Task 702 of 4096 (0,1,1,1,1,14) R07-M1-N00-J09
Task 703 of 4096 (0,1,1,1,1,15) R07-M1-N00-J09
Task 704 of 4096 (0,1,1,2,0,0) R07-M1-N02-J14
Task 705 of 4096 (0,1,1,2,0,1) R07-M1-N02-J14
Task 706 of 4096 (0,1,1,2,0,2) R07-M1-N02-J14
Task 707 of 4096 (0,1,1,2,0,3) R07-M1-N02-J14
Task 708 of 4096 (0,1,1,2,0,4) R07-M1-N02-J14
Task 709 of 4096 (0,1,1,2,0,5) R07-M1-N02-J14
Task 710 of 4096 (0,1,1,2,0,6) R07-M1-N02-J14
Task 711 of 4096 (0,1,1,2,0,7) R07-M1-N02-J14
Task 712 of 4096 (0,1,1,2,0,8) R07-M1-N02-J14
Task 713 of 4096 (0,1,1,2,0,9) R07-M1-N02-J14
Task 714 of 4096 (0,1,1,2,0,10) R07-M1-N02-J14
Task 715 of 4096 (0,1,1,2,0,11) R07-M1-N02-J14
Task 716 of 4096 (0,1,1,2,0,12) R07-M1-N02-J14
Task 717 of 4096 (0,1,1,2,0,13) R07-M1-N02-J14
Task 718 of 4096 (0,1,1,2,0,14) R07-M1-N02-J14
Task 719 of 4096 (0,1,1,2,0,15) R07-M1-N02-J14
Task 720 of 4096 (0,1,1,2,1,0) R07-M1-N02-J09
Task 721 of 4096 (0,1,1,2,1,1) R07-M1-N02-J09
Task 722 of 4096 (0,1,1,2,1,2) R07-M1-N02-J09
Task 723 of 4096 (0,1,1,2,1,3) R07-M1-N02-J09
Task 724 of 4096 (0,1,1,2,1,4) R07-M1-N02-J09
Task 725 of 4096 (0,1,1,2,1,5) R07-M1-N02-J09
Task 726 of 4096 (0,1,1,2,1,6) R07-M1-N02-J09
Task 727 of 4096 (0,1,1,2,1,7) R07-M1-N02-J09
Task 728 of 4096 (0,1,1,2,1,8) R07-M1-N02-J09
Task 729 of 4096 (0,1,1,2,1,9) R07-M1-N02-J09
Task 730 of 4096 (0,1,1,2,1,10) R07-M1-N02-J09
Task 731 of 4096 (0,1,1,2,1,11) R07-M1-N02-J09
Task 732 of 4096 (0,1,1,2,1,12) R07-M1-N02-J09
Task 733 of 4096 (0,1,1,2,1,13) R07-M1-N02-J09
Task 734 of 4096 (0,1,1,2,1,14) R07-M1-N02-J09
Task 735 of 4096 (0,1,1,2,1,15) R07-M1-N02-J09
Task 736 of 4096 (0,1,1,3,0,0) R07-M1-N02-J02
Task 737 of 4096 (0,1,1,3,0,1) R07-M1-N02-J02
Task 738 of 4096 (0,1,1,3,0,2) R07-M1-N02-J02
Task 739 of 4096 (0,1,1,3,0,3) R07-M1-N02-J02
Task 740 of 4096 (0,1,1,3,0,4) R07-M1-N02-J02
Task 741 of 4096 (0,1,1,3,0,5) R07-M1-N02-J02
Task 742 of 4096 (0,1,1,3,0,6) R07-M1-N02-J02
Task 743 of 4096 (0,1,1,3,0,7) R07-M1-N02-J02
Task 744 of 4096 (0,1,1,3,0,8) R07-M1-N02-J02
Task 745 of 4096 (0,1,1,3,0,9) R07-M1-N02-J02
Task 746 of 4096 (0,1,1,3,0,10) R07-M1-N02-J02
Task 747 of 4096 (0,1,1,3,0,11) R07-M1-N02-J02
Task 748 of 4096 (0,1,1,3,0,12) R07-M1-N02-J02
Task 749 of 4096 (0,1,1,3,0,13) R07-M1-N02-J02
Task 750 of 4096 (0,1,1,3,0,14) R07-M1-N02-J02
Task 751 of 4096 (0,1,1,3,0,15) R07-M1-N02-J02
Task 752 of 4096 (0,1,1,3,1,0) R07-M1-N02-J05
Task 753 of 4096 (0,1,1,3,1,1) R07-M1-N02-J05
Task 754 of 4096 (0,1,1,3,1,2) R07-M1-N02-J05
Task 755 of 4096 (0,1,1,3,1,3) R07-M1-N02-J05
Task 756 of 4096 (0,1,1,3,1,4) R07-M1-N02-J05
Task 757 of 4096 (0,1,1,3,1,5) R07-M1-N02-J05
Task 758 of 4096 (0,1,1,3,1,6) R07-M1-N02-J05
Task 759 of 4096 (0,1,1,3,1,7) R07-M1-N02-J05
Task 760 of 4096 (0,1,1,3,1,8) R07-M1-N02-J05
Task 761 of 4096 (0,1,1,3,1,9) R07-M1-N02-J05
Task 762 of 4096 (0,1,1,3,1,10) R07-M1-N02-J05
Task 763 of 4096 (0,1,1,3,1,11) R07-M1-N02-J05
Task 764 of 4096 (0,1,1,3,1,12) R07-M1-N02-J05
Task 765 of 4096 (0,1,1,3,1,13) R07-M1-N02-J05
Task 766 of 4096 (0,1,1,3,1,14) R07-M1-N02-J05
Task 767 of 4096 (0,1,1,3,1,15) R07-M1-N02-J05
Task 768 of 4096 (0,1,2,0,0,0) R07-M1-N01-J02
Task 769 of 4096 (0,1,2,0,0,1) R07-M1-N01-J02
Task 770 of 4096 (0,1,2,0,0,2) R07-M1-N01-J02
Task 771 of 4096 (0,1,2,0,0,3) R07-M1-N01-J02
Task 772 of 4096 (0,1,2,0,0,4) R07-M1-N01-J02
Task 773 of 4096 (0,1,2,0,0,5) R07-M1-N01-J02
Task 774 of 4096 (0,1,2,0,0,6) R07-M1-N01-J02
Task 775 of 4096 (0,1,2,0,0,7) R07-M1-N01-J02
Task 776 of 4096 (0,1,2,0,0,8) R07-M1-N01-J02
Task 777 of 4096 (0,1,2,0,0,9) R07-M1-N01-J02
Task 778 of 4096 (0,1,2,0,0,10) R07-M1-N01-J02
Task 779 of 4096 (0,1,2,0,0,11) R07-M1-N01-J02
Task 780 of 4096 (0,1,2,0,0,12) R07-M1-N01-J02
Task 781 of 4096 (0,1,2,0,0,13) R07-M1-N01-J02
Task 782 of 4096 (0,1,2,0,0,14) R07-M1-N01-J02
Task 783 of 4096 (0,1,2,0,0,15) R07-M1-N01-J02
Task 784 of 4096 (0,1,2,0,1,0) R07-M1-N01-J05
Task 785 of 4096 (0,1,2,0,1,1) R07-M1-N01-J05
Task 786 of 4096 (0,1,2,0,1,2) R07-M1-N01-J05
Task 787 of 4096 (0,1,2,0,1,3) R07-M1-N01-J05
Task 788 of 4096 (0,1,2,0,1,4) R07-M1-N01-J05
Task 789 of 4096 (0,1,2,0,1,5) R07-M1-N01-J05
Task 790 of 4096 (0,1,2,0,1,6) R07-M1-N01-J05
Task 791 of 4096 (0,1,2,0,1,7) R07-M1-N01-J05
Task 792 of 4096 (0,1,2,0,1,8) R07-M1-N01-J05
Task 793 of 4096 (0,1,2,0,1,9) R07-M1-N01-J05
Task 794 of 4096 (0,1,2,0,1,10) R07-M1-N01-J05
Task 795 of 4096 (0,1,2,0,1,11) R07-M1-N01-J05
Task 796 of 4096 (0,1,2,0,1,12) R07-M1-N01-J05
Task 797 of 4096 (0,1,2,0,1,13) R07-M1-N01-J05
Task 798 of 4096 (0,1,2,0,1,14) R07-M1-N01-J05
Task 799 of 4096 (0,1,2,0,1,15) R07-M1-N01-J05
Task 800 of 4096 (0,1,2,1,0,0) R07-M1-N01-J14
Task 801 of 4096 (0,1,2,1,0,1) R07-M1-N01-J14
Task 802 of 4096 (0,1,2,1,0,2) R07-M1-N01-J14
Task 803 of 4096 (0,1,2,1,0,3) R07-M1-N01-J14
Task 804 of 4096 (0,1,2,1,0,4) R07-M1-N01-J14
Task 805 of 4096 (0,1,2,1,0,5) R07-M1-N01-J14
Task 806 of 4096 (0,1,2,1,0,6) R07-M1-N01-J14
Task 807 of 4096 (0,1,2,1,0,7) R07-M1-N01-J14
Task 808 of 4096 (0,1,2,1,0,8) R07-M1-N01-J14
Task 809 of 4096 (0,1,2,1,0,9) R07-M1-N01-J14
Task 810 of 4096 (0,1,2,1,0,10) R07-M1-N01-J14
Task 811 of 4096 (0,1,2,1,0,11) R07-M1-N01-J14
Task 812 of 4096 (0,1,2,1,0,12) R07-M1-N01-J14
Task 813 of 4096 (0,1,2,1,0,13) R07-M1-N01-J14
Task 814 of 4096 (0,1,2,1,0,14) R07-M1-N01-J14
Task 815 of 4096 (0,1,2,1,0,15) R07-M1-N01-J14
Task 816 of 4096 (0,1,2,1,1,0) R07-M1-N01-J09
Task 817 of 4096 (0,1,2,1,1,1) R07-M1-N01-J09
Task 818 of 4096 (0,1,2,1,1,2) R07-M1-N01-J09
Task 819 of 4096 (0,1,2,1,1,3) R07-M1-N01-J09
Task 820 of 4096 (0,1,2,1,1,4) R07-M1-N01-J09
Task 821 of 4096 (0,1,2,1,1,5) R07-M1-N01-J09
Task 822 of 4096 (0,1,2,1,1,6) R07-M1-N01-J09
Task 823 of 4096 (0,1,2,1,1,7) R07-M1-N01-J09
Task 824 of 4096 (0,1,2,1,1,8) R07-M1-N01-J09
Task 825 of 4096 (0,1,2,1,1,9) R07-M1-N01-J09
Task 826 of 4096 (0,1,2,1,1,10) R07-M1-N01-J09
Task 827 of 4096 (0,1,2,1,1,11) R07-M1-N01-J09
Task 828 of 4096 (0,1,2,1,1,12) R07-M1-N01-J09
Task 829 of 4096 (0,1,2,1,1,13) R07-M1-N01-J09
Task 830 of 4096 (0,1,2,1,1,14) R07-M1-N01-J09
Task 831 of 4096 (0,1,2,1,1,15) R07-M1-N01-J09
Task 832 of 4096 (0,1,2,2,0,0) R07-M1-N03-J14
Task 833 of 4096 (0,1,2,2,0,1) R07-M1-N03-J14
Task 834 of 4096 (0,1,2,2,0,2) R07-M1-N03-J14
Task 835 of 4096 (0,1,2,2,0,3) R07-M1-N03-J14
Task 836 of 4096 (0,1,2,2,0,4) R07-M1-N03-J14
Task 837 of 4096 (0,1,2,2,0,5) R07-M1-N03-J14
Task 838 of 4096 (0,1,2,2,0,6) R07-M1-N03-J14
Task 839 of 4096 (0,1,2,2,0,7) R07-M1-N03-J14
Task 840 of 4096 (0,1,2,2,0,8) R07-M1-N03-J14
Task 841 of 4096 (0,1,2,2,0,9) R07-M1-N03-J14
Task 842 of 4096 (0,1,2,2,0,10) R07-M1-N03-J14
Task 843 of 4096 (0,1,2,2,0,11) R07-M1-N03-J14
Task 844 of 4096 (0,1,2,2,0,12) R07-M1-N03-J14
Task 845 of 4096 (0,1,2,2,0,13) R07-M1-N03-J14
Task 846 of 4096 (0,1,2,2,0,14) R07-M1-N03-J14
Task 847 of 4096 (0,1,2,2,0,15) R07-M1-N03-J14
Task 848 of 4096 (0,1,2,2,1,0) R07-M1-N03-J09
Task 849 of 4096 (0,1,2,2,1,1) R07-M1-N03-J09
Task 850 of 4096 (0,1,2,2,1,2) R07-M1-N03-J09
Task 851 of 4096 (0,1,2,2,1,3) R07-M1-N03-J09
Task 852 of 4096 (0,1,2,2,1,4) R07-M1-N03-J09
Task 853 of 4096 (0,1,2,2,1,5) R07-M1-N03-J09
Task 854 of 4096 (0,1,2,2,1,6) R07-M1-N03-J09
Task 855 of 4096 (0,1,2,2,1,7) R07-M1-N03-J09
Task 856 of 4096 (0,1,2,2,1,8) R07-M1-N03-J09
Task 857 of 4096 (0,1,2,2,1,9) R07-M1-N03-J09
Task 858 of 4096 (0,1,2,2,1,10) R07-M1-N03-J09
Task 859 of 4096 (0,1,2,2,1,11) R07-M1-N03-J09
Task 860 of 4096 (0,1,2,2,1,12) R07-M1-N03-J09
Task 861 of 4096 (0,1,2,2,1,13) R07-M1-N03-J09
Task 862 of 4096 (0,1,2,2,1,14) R07-M1-N03-J09
Task 863 of 4096 (0,1,2,2,1,15) R07-M1-N03-J09
Task 864 of 4096 (0,1,2,3,0,0) R07-M1-N03-J02
Task 865 of 4096 (0,1,2,3,0,1) R07-M1-N03-J02
Task 866 of 4096 (0,1,2,3,0,2) R07-M1-N03-J02
Task 867 of 4096 (0,1,2,3,0,3) R07-M1-N03-J02
Task 868 of 4096 (0,1,2,3,0,4) R07-M1-N03-J02
Task 869 of 4096 (0,1,2,3,0,5) R07-M1-N03-J02
Task 870 of 4096 (0,1,2,3,0,6) R07-M1-N03-J02
Task 871 of 4096 (0,1,2,3,0,7) R07-M1-N03-J02
Task 872 of 4096 (0,1,2,3,0,8) R07-M1-N03-J02
Task 873 of 4096 (0,1,2,3,0,9) R07-M1-N03-J02
Task 874 of 4096 (0,1,2,3,0,10) R07-M1-N03-J02
Task 875 of 4096 (0,1,2,3,0,11) R07-M1-N03-J02
Task 876 of 4096 (0,1,2,3,0,12) R07-M1-N03-J02
Task 877 of 4096 (0,1,2,3,0,13) R07-M1-N03-J02
Task 878 of 4096 (0,1,2,3,0,14) R07-M1-N03-J02
Task 879 of 4096 (0,1,2,3,0,15) R07-M1-N03-J02
Task 880 of 4096 (0,1,2,3,1,0) R07-M1-N03-J05
Task 881 of 4096 (0,1,2,3,1,1) R07-M1-N03-J05
Task 882 of 4096 (0,1,2,3,1,2) R07-M1-N03-J05
Task 883 of 4096 (0,1,2,3,1,3) R07-M1-N03-J05
Task 884 of 4096 (0,1,2,3,1,4) R07-M1-N03-J05
Task 885 of 4096 (0,1,2,3,1,5) R07-M1-N03-J05
Task 886 of 4096 (0,1,2,3,1,6) R07-M1-N03-J05
Task 887 of 4096 (0,1,2,3,1,7) R07-M1-N03-J05
Task 888 of 4096 (0,1,2,3,1,8) R07-M1-N03-J05
Task 889 of 4096 (0,1,2,3,1,9) R07-M1-N03-J05
Task 890 of 4096 (0,1,2,3,1,10) R07-M1-N03-J05
Task 891 of 4096 (0,1,2,3,1,11) R07-M1-N03-J05
Task 892 of 4096 (0,1,2,3,1,12) R07-M1-N03-J05
Task 893 of 4096 (0,1,2,3,1,13) R07-M1-N03-J05
Task 894 of 4096 (0,1,2,3,1,14) R07-M1-N03-J05
Task 895 of 4096 (0,1,2,3,1,15) R07-M1-N03-J05
Task 896 of 4096 (0,1,3,0,0,0) R07-M1-N01-J03
Task 897 of 4096 (0,1,3,0,0,1) R07-M1-N01-J03
Task 898 of 4096 (0,1,3,0,0,2) R07-M1-N01-J03
Task 899 of 4096 (0,1,3,0,0,3) R07-M1-N01-J03
Task 900 of 4096 (0,1,3,0,0,4) R07-M1-N01-J03
Task 901 of 4096 (0,1,3,0,0,5) R07-M1-N01-J03
Task 902 of 4096 (0,1,3,0,0,6) R07-M1-N01-J03
Task 903 of 4096 (0,1,3,0,0,7) R07-M1-N01-J03
Task 904 of 4096 (0,1,3,0,0,8) R07-M1-N01-J03
Task 905 of 4096 (0,1,3,0,0,9) R07-M1-N01-J03
Task 906 of 4096 (0,1,3,0,0,10) R07-M1-N01-J03
Task 907 of 4096 (0,1,3,0,0,11) R07-M1-N01-J03
Task 908 of 4096 (0,1,3,0,0,12) R07-M1-N01-J03
Task 909 of 4096 (0,1,3,0,0,13) R07-M1-N01-J03
Task 910 of 4096 (0,1,3,0,0,14) R07-M1-N01-J03
Task 911 of 4096 (0,1,3,0,0,15) R07-M1-N01-J03
Task 912 of 4096 (0,1,3,0,1,0) R07-M1-N01-J04
Task 913 of 4096 (0,1,3,0,1,1) R07-M1-N01-J04
Task 914 of 4096 (0,1,3,0,1,2) R07-M1-N01-J04
Task 915 of 4096 (0,1,3,0,1,3) R07-M1-N01-J04
Task 916 of 4096 (0,1,3,0,1,4) R07-M1-N01-J04
Task 917 of 4096 (0,1,3,0,1,5) R07-M1-N01-J04
Task 918 of 4096 (0,1,3,0,1,6) R07-M1-N01-J04
Task 919 of 4096 (0,1,3,0,1,7) R07-M1-N01-J04
Task 920 of 4096 (0,1,3,0,1,8) R07-M1-N01-J04
Task 921 of 4096 (0,1,3,0,1,9) R07-M1-N01-J04
Task 922 of 4096 (0,1,3,0,1,10) R07-M1-N01-J04
Task 923 of 4096 (0,1,3,0,1,11) R07-M1-N01-J04
Task 924 of 4096 (0,1,3,0,1,12) R07-M1-N01-J04
Task 925 of 4096 (0,1,3,0,1,13) R07-M1-N01-J04
Task 926 of 4096 (0,1,3,0,1,14) R07-M1-N01-J04
Task 927 of 4096 (0,1,3,0,1,15) R07-M1-N01-J04
Task 928 of 4096 (0,1,3,1,0,0) R07-M1-N01-J15
Task 929 of 4096 (0,1,3,1,0,1) R07-M1-N01-J15
Task 930 of 4096 (0,1,3,1,0,2) R07-M1-N01-J15
Task 931 of 4096 (0,1,3,1,0,3) R07-M1-N01-J15
Task 932 of 4096 (0,1,3,1,0,4) R07-M1-N01-J15
Task 933 of 4096 (0,1,3,1,0,5) R07-M1-N01-J15
Task 934 of 4096 (0,1,3,1,0,6) R07-M1-N01-J15
Task 935 of 4096 (0,1,3,1,0,7) R07-M1-N01-J15
Task 936 of 4096 (0,1,3,1,0,8) R07-M1-N01-J15
Task 937 of 4096 (0,1,3,1,0,9) R07-M1-N01-J15
Task 938 of 4096 (0,1,3,1,0,10) R07-M1-N01-J15
Task 939 of 4096 (0,1,3,1,0,11) R07-M1-N01-J15
Task 940 of 4096 (0,1,3,1,0,12) R07-M1-N01-J15
Task 941 of 4096 (0,1,3,1,0,13) R07-M1-N01-J15
Task 942 of 4096 (0,1,3,1,0,14) R07-M1-N01-J15
Task 943 of 4096 (0,1,3,1,0,15) R07-M1-N01-J15
Task 944 of 4096 (0,1,3,1,1,0) R07-M1-N01-J08
Task 945 of 4096 (0,1,3,1,1,1) R07-M1-N01-J08
Task 946 of 4096 (0,1,3,1,1,2) R07-M1-N01-J08
Task 947 of 4096 (0,1,3,1,1,3) R07-M1-N01-J08
Task 948 of 4096 (0,1,3,1,1,4) R07-M1-N01-J08
Task 949 of 4096 (0,1,3,1,1,5) R07-M1-N01-J08
Task 950 of 4096 (0,1,3,1,1,6) R07-M1-N01-J08
Task 951 of 4096 (0,1,3,1,1,7) R07-M1-N01-J08
Task 952 of 4096 (0,1,3,1,1,8) R07-M1-N01-J08
Task 953 of 4096 (0,1,3,1,1,9) R07-M1-N01-J08
Task 954 of 4096 (0,1,3,1,1,10) R07-M1-N01-J08
Task 955 of 4096 (0,1,3,1,1,11) R07-M1-N01-J08
Task 956 of 4096 (0,1,3,1,1,12) R07-M1-N01-J08
Task 957 of 4096 (0,1,3,1,1,13) R07-M1-N01-J08
Task 958 of 4096 (0,1,3,1,1,14) R07-M1-N01-J08
Task 959 of 4096 (0,1,3,1,1,15) R07-M1-N01-J08
Task 960 of 4096 (0,1,3,2,0,0) R07-M1-N03-J15
Task 961 of 4096 (0,1,3,2,0,1) R07-M1-N03-J15
Task 962 of 4096 (0,1,3,2,0,2) R07-M1-N03-J15
Task 963 of 4096 (0,1,3,2,0,3) R07-M1-N03-J15
Task 964 of 4096 (0,1,3,2,0,4) R07-M1-N03-J15
Task 965 of 4096 (0,1,3,2,0,5) R07-M1-N03-J15
Task 966 of 4096 (0,1,3,2,0,6) R07-M1-N03-J15
Task 967 of 4096 (0,1,3,2,0,7) R07-M1-N03-J15
Task 968 of 4096 (0,1,3,2,0,8) R07-M1-N03-J15
Task 969 of 4096 (0,1,3,2,0,9) R07-M1-N03-J15
Task 970 of 4096 (0,1,3,2,0,10) R07-M1-N03-J15
Task 971 of 4096 (0,1,3,2,0,11) R07-M1-N03-J15
Task 972 of 4096 (0,1,3,2,0,12) R07-M1-N03-J15
Task 973 of 4096 (0,1,3,2,0,13) R07-M1-N03-J15
Task 974 of 4096 (0,1,3,2,0,14) R07-M1-N03-J15
Task 975 of 4096 (0,1,3,2,0,15) R07-M1-N03-J15
Task 976 of 4096 (0,1,3,2,1,0) R07-M1-N03-J08
Task 977 of 4096 (0,1,3,2,1,1) R07-M1-N03-J08
Task 978 of 4096 (0,1,3,2,1,2) R07-M1-N03-J08
Task 979 of 4096 (0,1,3,2,1,3) R07-M1-N03-J08
Task 980 of 4096 (0,1,3,2,1,4) R07-M1-N03-J08
Task 981 of 4096 (0,1,3,2,1,5) R07-M1-N03-J08
Task 982 of 4096 (0,1,3,2,1,6) R07-M1-N03-J08
Task 983 of 4096 (0,1,3,2,1,7) R07-M1-N03-J08
Task 984 of 4096 (0,1,3,2,1,8) R07-M1-N03-J08
Task 985 of 4096 (0,1,3,2,1,9) R07-M1-N03-J08
Task 986 of 4096 (0,1,3,2,1,10) R07-M1-N03-J08
Task 987 of 4096 (0,1,3,2,1,11) R07-M1-N03-J08
Task 988 of 4096 (0,1,3,2,1,12) R07-M1-N03-J08
Task 989 of 4096 (0,1,3,2,1,13) R07-M1-N03-J08
Task 990 of 4096 (0,1,3,2,1,14) R07-M1-N03-J08
Task 991 of 4096 (0,1,3,2,1,15) R07-M1-N03-J08
Task 992 of 4096 (0,1,3,3,0,0) R07-M1-N03-J03
Task 993 of 4096 (0,1,3,3,0,1) R07-M1-N03-J03
Task 994 of 4096 (0,1,3,3,0,2) R07-M1-N03-J03
Task 995 of 4096 (0,1,3,3,0,3) R07-M1-N03-J03
Task 996 of 4096 (0,1,3,3,0,4) R07-M1-N03-J03
Task 997 of 4096 (0,1,3,3,0,5) R07-M1-N03-J03
Task 998 of 4096 (0,1,3,3,0,6) R07-M1-N03-J03
Task 999 of 4096 (0,1,3,3,0,7) R07-M1-N03-J03
Task 1000 of 4096 (0,1,3,3,0,8) R07-M1-N03-J03
Task 1001 of 4096 (0,1,3,3,0,9) R07-M1-N03-J03
Task 1002 of 4096 (0,1,3,3,0,10) R07-M1-N03-J03
Task 1003 of 4096 (0,1,3,3,0,11) R07-M1-N03-J03
Task 1004 of 4096 (0,1,3,3,0,12) R07-M1-N03-J03
Task 1005 of 4096 (0,1,3,3,0,13) R07-M1-N03-J03
Task 1006 of 4096 (0,1,3,3,0,14) R07-M1-N03-J03
Task 1007 of 4096 (0,1,3,3,0,15) R07-M1-N03-J03
Task 1008 of 4096 (0,1,3,3,1,0) R07-M1-N03-J04
Task 1009 of 4096 (0,1,3,3,1,1) R07-M1-N03-J04
Task 1010 of 4096 (0,1,3,3,1,2) R07-M1-N03-J04
Task 1011 of 4096 (0,1,3,3,1,3) R07-M1-N03-J04
Task 1012 of 4096 (0,1,3,3,1,4) R07-M1-N03-J04
Task 1013 of 4096 (0,1,3,3,1,5) R07-M1-N03-J04
Task 1014 of 4096 (0,1,3,3,1,6) R07-M1-N03-J04
Task 1015 of 4096 (0,1,3,3,1,7) R07-M1-N03-J04
Task 1016 of 4096 (0,1,3,3,1,8) R07-M1-N03-J04
Task 1017 of 4096 (0,1,3,3,1,9) R07-M1-N03-J04
Task 1018 of 4096 (0,1,3,3,1,10) R07-M1-N03-J04
Task 1019 of 4096 (0,1,3,3,1,11) R07-M1-N03-J04
Task 1020 of 4096 (0,1,3,3,1,12) R07-M1-N03-J04
Task 1021 of 4096 (0,1,3,3,1,13) R07-M1-N03-J04
Task 1022 of 4096 (0,1,3,3,1,14) R07-M1-N03-J04
Task 1023 of 4096 (0,1,3,3,1,15) R07-M1-N03-J04
Task 1024 of 4096 (1,0,0,0,0,0) R07-M1-N00-J29
Task 1025 of 4096 (1,0,0,0,0,1) R07-M1-N00-J29
Task 1026 of 4096 (1,0,0,0,0,2) R07-M1-N00-J29
Task 1027 of 4096 (1,0,0,0,0,3) R07-M1-N00-J29
Task 1028 of 4096 (1,0,0,0,0,4) R07-M1-N00-J29
Task 1029 of 4096 (1,0,0,0,0,5) R07-M1-N00-J29
Task 1030 of 4096 (1,0,0,0,0,6) R07-M1-N00-J29
Task 1031 of 4096 (1,0,0,0,0,7) R07-M1-N00-J29
Task 1032 of 4096 (1,0,0,0,0,8) R07-M1-N00-J29
Task 1033 of 4096 (1,0,0,0,0,9) R07-M1-N00-J29
Task 1034 of 4096 (1,0,0,0,0,10) R07-M1-N00-J29
Task 1035 of 4096 (1,0,0,0,0,11) R07-M1-N00-J29
Task 1036 of 4096 (1,0,0,0,0,12) R07-M1-N00-J29
Task 1037 of 4096 (1,0,0,0,0,13) R07-M1-N00-J29
Task 1038 of 4096 (1,0,0,0,0,14) R07-M1-N00-J29
Task 1039 of 4096 (1,0,0,0,0,15) R07-M1-N00-J29
Task 1040 of 4096 (1,0,0,0,1,0) R07-M1-N00-J26
Task 1041 of 4096 (1,0,0,0,1,1) R07-M1-N00-J26
Task 1042 of 4096 (1,0,0,0,1,2) R07-M1-N00-J26
Task 1043 of 4096 (1,0,0,0,1,3) R07-M1-N00-J26
Task 1044 of 4096 (1,0,0,0,1,4) R07-M1-N00-J26
Task 1045 of 4096 (1,0,0,0,1,5) R07-M1-N00-J26
Task 1046 of 4096 (1,0,0,0,1,6) R07-M1-N00-J26
Task 1047 of 4096 (1,0,0,0,1,7) R07-M1-N00-J26
Task 1048 of 4096 (1,0,0,0,1,8) R07-M1-N00-J26
Task 1049 of 4096 (1,0,0,0,1,9) R07-M1-N00-J26
Task 1050 of 4096 (1,0,0,0,1,10) R07-M1-N00-J26
Task 1051 of 4096 (1,0,0,0,1,11) R07-M1-N00-J26
Task 1052 of 4096 (1,0,0,0,1,12) R07-M1-N00-J26
Task 1053 of 4096 (1,0,0,0,1,13) R07-M1-N00-J26
Task 1054 of 4096 (1,0,0,0,1,14) R07-M1-N00-J26
Task 1055 of 4096 (1,0,0,0,1,15) R07-M1-N00-J26
Task 1056 of 4096 (1,0,0,1,0,0) R07-M1-N00-J17
Task 1057 of 4096 (1,0,0,1,0,1) R07-M1-N00-J17
Task 1058 of 4096 (1,0,0,1,0,2) R07-M1-N00-J17
Task 1059 of 4096 (1,0,0,1,0,3) R07-M1-N00-J17
Task 1060 of 4096 (1,0,0,1,0,4) R07-M1-N00-J17
Task 1061 of 4096 (1,0,0,1,0,5) R07-M1-N00-J17
Task 1062 of 4096 (1,0,0,1,0,6) R07-M1-N00-J17
Task 1063 of 4096 (1,0,0,1,0,7) R07-M1-N00-J17
Task 1064 of 4096 (1,0,0,1,0,8) R07-M1-N00-J17
Task 1065 of 4096 (1,0,0,1,0,9) R07-M1-N00-J17
Task 1066 of 4096 (1,0,0,1,0,10) R07-M1-N00-J17
Task 1067 of 4096 (1,0,0,1,0,11) R07-M1-N00-J17
Task 1068 of 4096 (1,0,0,1,0,12) R07-M1-N00-J17
Task 1069 of 4096 (1,0,0,1,0,13) R07-M1-N00-J17
Task 1070 of 4096 (1,0,0,1,0,14) R07-M1-N00-J17
Task 1071 of 4096 (1,0,0,1,0,15) R07-M1-N00-J17
Task 1072 of 4096 (1,0,0,1,1,0) R07-M1-N00-J22
Task 1073 of 4096 (1,0,0,1,1,1) R07-M1-N00-J22
Task 1074 of 4096 (1,0,0,1,1,2) R07-M1-N00-J22
Task 1075 of 4096 (1,0,0,1,1,3) R07-M1-N00-J22
Task 1076 of 4096 (1,0,0,1,1,4) R07-M1-N00-J22
Task 1077 of 4096 (1,0,0,1,1,5) R07-M1-N00-J22
Task 1078 of 4096 (1,0,0,1,1,6) R07-M1-N00-J22
Task 1079 of 4096 (1,0,0,1,1,7) R07-M1-N00-J22
Task 1080 of 4096 (1,0,0,1,1,8) R07-M1-N00-J22
Task 1081 of 4096 (1,0,0,1,1,9) R07-M1-N00-J22
Task 1082 of 4096 (1,0,0,1,1,10) R07-M1-N00-J22
Task 1083 of 4096 (1,0,0,1,1,11) R07-M1-N00-J22
Task 1084 of 4096 (1,0,0,1,1,12) R07-M1-N00-J22
Task 1085 of 4096 (1,0,0,1,1,13) R07-M1-N00-J22
Task 1086 of 4096 (1,0,0,1,1,14) R07-M1-N00-J22
Task 1087 of 4096 (1,0,0,1,1,15) R07-M1-N00-J22
Task 1088 of 4096 (1,0,0,2,0,0) R07-M1-N02-J17
Task 1089 of 4096 (1,0,0,2,0,1) R07-M1-N02-J17
Task 1090 of 4096 (1,0,0,2,0,2) R07-M1-N02-J17
Task 1091 of 4096 (1,0,0,2,0,3) R07-M1-N02-J17
Task 1092 of 4096 (1,0,0,2,0,4) R07-M1-N02-J17
Task 1093 of 4096 (1,0,0,2,0,5) R07-M1-N02-J17
Task 1094 of 4096 (1,0,0,2,0,6) R07-M1-N02-J17
Task 1095 of 4096 (1,0,0,2,0,7) R07-M1-N02-J17
Task 1096 of 4096 (1,0,0,2,0,8) R07-M1-N02-J17
Task 1097 of 4096 (1,0,0,2,0,9) R07-M1-N02-J17
Task 1098 of 4096 (1,0,0,2,0,10) R07-M1-N02-J17
Task 1099 of 4096 (1,0,0,2,0,11) R07-M1-N02-J17
Task 1100 of 4096 (1,0,0,2,0,12) R07-M1-N02-J17
Task 1101 of 4096 (1,0,0,2,0,13) R07-M1-N02-J17
Task 1102 of 4096 (1,0,0,2,0,14) R07-M1-N02-J17
Task 1103 of 4096 (1,0,0,2,0,15) R07-M1-N02-J17
Task 1104 of 4096 (1,0,0,2,1,0) R07-M1-N02-J22
Task 1105 of 4096 (1,0,0,2,1,1) R07-M1-N02-J22
Task 1106 of 4096 (1,0,0,2,1,2) R07-M1-N02-J22
Task 1107 of 4096 (1,0,0,2,1,3) R07-M1-N02-J22
Task 1108 of 4096 (1,0,0,2,1,4) R07-M1-N02-J22
Task 1109 of 4096 (1,0,0,2,1,5) R07-M1-N02-J22
Task 1110 of 4096 (1,0,0,2,1,6) R07-M1-N02-J22
Task 1111 of 4096 (1,0,0,2,1,7) R07-M1-N02-J22
Task 1112 of 4096 (1,0,0,2,1,8) R07-M1-N02-J22
Task 1113 of 4096 (1,0,0,2,1,9) R07-M1-N02-J22
Task 1114 of 4096 (1,0,0,2,1,10) R07-M1-N02-J22
Task 1115 of 4096 (1,0,0,2,1,11) R07-M1-N02-J22
Task 1116 of 4096 (1,0,0,2,1,12) R07-M1-N02-J22
Task 1117 of 4096 (1,0,0,2,1,13) R07-M1-N02-J22
Task 1118 of 4096 (1,0,0,2,1,14) R07-M1-N02-J22
Task 1119 of 4096 (1,0,0,2,1,15) R07-M1-N02-J22
Task 1120 of 4096 (1,0,0,3,0,0) R07-M1-N02-J29
Task 1121 of 4096 (1,0,0,3,0,1) R07-M1-N02-J29
Task 1122 of 4096 (1,0,0,3,0,2) R07-M1-N02-J29
Task 1123 of 4096 (1,0,0,3,0,3) R07-M1-N02-J29
Task 1124 of 4096 (1,0,0,3,0,4) R07-M1-N02-J29
Task 1125 of 4096 (1,0,0,3,0,5) R07-M1-N02-J29
Task 1126 of 4096 (1,0,0,3,0,6) R07-M1-N02-J29
Task 1127 of 4096 (1,0,0,3,0,7) R07-M1-N02-J29
Task 1128 of 4096 (1,0,0,3,0,8) R07-M1-N02-J29
Task 1129 of 4096 (1,0,0,3,0,9) R07-M1-N02-J29
Task 1130 of 4096 (1,0,0,3,0,10) R07-M1-N02-J29
Task 1131 of 4096 (1,0,0,3,0,11) R07-M1-N02-J29
Task 1132 of 4096 (1,0,0,3,0,12) R07-M1-N02-J29
Task 1133 of 4096 (1,0,0,3,0,13) R07-M1-N02-J29
Task 1134 of 4096 (1,0,0,3,0,14) R07-M1-N02-J29
Task 1135 of 4096 (1,0,0,3,0,15) R07-M1-N02-J29
Task 1136 of 4096 (1,0,0,3,1,0) R07-M1-N02-J26
Task 1137 of 4096 (1,0,0,3,1,1) R07-M1-N02-J26
Task 1138 of 4096 (1,0,0,3,1,2) R07-M1-N02-J26
Task 1139 of 4096 (1,0,0,3,1,3) R07-M1-N02-J26
Task 1140 of 4096 (1,0,0,3,1,4) R07-M1-N02-J26
Task 1141 of 4096 (1,0,0,3,1,5) R07-M1-N02-J26
Task 1142 of 4096 (1,0,0,3,1,6) R07-M1-N02-J26
Task 1143 of 4096 (1,0,0,3,1,7) R07-M1-N02-J26
Task 1144 of 4096 (1,0,0,3,1,8) R07-M1-N02-J26
Task 1145 of 4096 (1,0,0,3,1,9) R07-M1-N02-J26
Task 1146 of 4096 (1,0,0,3,1,10) R07-M1-N02-J26
Task 1147 of 4096 (1,0,0,3,1,11) R07-M1-N02-J26
Task 1148 of 4096 (1,0,0,3,1,12) R07-M1-N02-J26
Task 1149 of 4096 (1,0,0,3,1,13) R07-M1-N02-J26
Task 1150 of 4096 (1,0,0,3,1,14) R07-M1-N02-J26
Task 1151 of 4096 (1,0,0,3,1,15) R07-M1-N02-J26
Task 1152 of 4096 (1,0,1,0,0,0) R07-M1-N00-J28
Task 1153 of 4096 (1,0,1,0,0,1) R07-M1-N00-J28
Task 1154 of 4096 (1,0,1,0,0,2) R07-M1-N00-J28
Task 1155 of 4096 (1,0,1,0,0,3) R07-M1-N00-J28
Task 1156 of 4096 (1,0,1,0,0,4) R07-M1-N00-J28
Task 1157 of 4096 (1,0,1,0,0,5) R07-M1-N00-J28
Task 1158 of 4096 (1,0,1,0,0,6) R07-M1-N00-J28
Task 1159 of 4096 (1,0,1,0,0,7) R07-M1-N00-J28
Task 1160 of 4096 (1,0,1,0,0,8) R07-M1-N00-J28
Task 1161 of 4096 (1,0,1,0,0,9) R07-M1-N00-J28
Task 1162 of 4096 (1,0,1,0,0,10) R07-M1-N00-J28
Task 1163 of 4096 (1,0,1,0,0,11) R07-M1-N00-J28
Task 1164 of 4096 (1,0,1,0,0,12) R07-M1-N00-J28
Task 1165 of 4096 (1,0,1,0,0,13) R07-M1-N00-J28
Task 1166 of 4096 (1,0,1,0,0,14) R07-M1-N00-J28
Task 1167 of 4096 (1,0,1,0,0,15) R07-M1-N00-J28
Task 1168 of 4096 (1,0,1,0,1,0) R07-M1-N00-J27
Task 1169 of 4096 (1,0,1,0,1,1) R07-M1-N00-J27
Task 1170 of 4096 (1,0,1,0,1,2) R07-M1-N00-J27
Task 1171 of 4096 (1,0,1,0,1,3) R07-M1-N00-J27
Task 1172 of 4096 (1,0,1,0,1,4) R07-M1-N00-J27
Task 1173 of 4096 (1,0,1,0,1,5) R07-M1-N00-J27
Task 1174 of 4096 (1,0,1,0,1,6) R07-M1-N00-J27
Task 1175 of 4096 (1,0,1,0,1,7) R07-M1-N00-J27
Task 1176 of 4096 (1,0,1,0,1,8) R07-M1-N00-J27
Task 1177 of 4096 (1,0,1,0,1,9) R07-M1-N00-J27
Task 1178 of 4096 (1,0,1,0,1,10) R07-M1-N00-J27
Task 1179 of 4096 (1,0,1,0,1,11) R07-M1-N00-J27
Task 1180 of 4096 (1,0,1,0,1,12) R07-M1-N00-J27
Task 1181 of 4096 (1,0,1,0,1,13) R07-M1-N00-J27
Task 1182 of 4096 (1,0,1,0,1,14) R07-M1-N00-J27
Task 1183 of 4096 (1,0,1,0,1,15) R07-M1-N00-J27
Task 1184 of 4096 (1,0,1,1,0,0) R07-M1-N00-J16
Task 1185 of 4096 (1,0,1,1,0,1) R07-M1-N00-J16
Task 1186 of 4096 (1,0,1,1,0,2) R07-M1-N00-J16
Task 1187 of 4096 (1,0,1,1,0,3) R07-M1-N00-J16
Task 1188 of 4096 (1,0,1,1,0,4) R07-M1-N00-J16
Task 1189 of 4096 (1,0,1,1,0,5) R07-M1-N00-J16
Task 1190 of 4096 (1,0,1,1,0,6) R07-M1-N00-J16
Task 1191 of 4096 (1,0,1,1,0,7) R07-M1-N00-J16
Task 1192 of 4096 (1,0,1,1,0,8) R07-M1-N00-J16
Task 1193 of 4096 (1,0,1,1,0,9) R07-M1-N00-J16
Task 1194 of 4096 (1,0,1,1,0,10) R07-M1-N00-J16
Task 1195 of 4096 (1,0,1,1,0,11) R07-M1-N00-J16
Task 1196 of 4096 (1,0,1,1,0,12) R07-M1-N00-J16
Task 1197 of 4096 (1,0,1,1,0,13) R07-M1-N00-J16
Task 1198 of 4096 (1,0,1,1,0,14) R07-M1-N00-J16
Task 1199 of 4096 (1,0,1,1,0,15) R07-M1-N00-J16
Task 1200 of 4096 (1,0,1,1,1,0) R07-M1-N00-J23
Task 1201 of 4096 (1,0,1,1,1,1) R07-M1-N00-J23
Task 1202 of 4096 (1,0,1,1,1,2) R07-M1-N00-J23
Task 1203 of 4096 (1,0,1,1,1,3) R07-M1-N00-J23
Task 1204 of 4096 (1,0,1,1,1,4) R07-M1-N00-J23
Task 1205 of 4096 (1,0,1,1,1,5) R07-M1-N00-J23
Task 1206 of 4096 (1,0,1,1,1,6) R07-M1-N00-J23
Task 1207 of 4096 (1,0,1,1,1,7) R07-M1-N00-J23
Task 1208 of 4096 (1,0,1,1,1,8) R07-M1-N00-J23
Task 1209 of 4096 (1,0,1,1,1,9) R07-M1-N00-J23
Task 1210 of 4096 (1,0,1,1,1,10) R07-M1-N00-J23
Task 1211 of 4096 (1,0,1,1,1,11) R07-M1-N00-J23
Task 1212 of 4096 (1,0,1,1,1,12) R07-M1-N00-J23
Task 1213 of 4096 (1,0,1,1,1,13) R07-M1-N00-J23
Task 1214 of 4096 (1,0,1,1,1,14) R07-M1-N00-J23
Task 1215 of 4096 (1,0,1,1,1,15) R07-M1-N00-J23
Task 1216 of 4096 (1,0,1,2,0,0) R07-M1-N02-J16
Task 1217 of 4096 (1,0,1,2,0,1) R07-M1-N02-J16
Task 1218 of 4096 (1,0,1,2,0,2) R07-M1-N02-J16
Task 1219 of 4096 (1,0,1,2,0,3) R07-M1-N02-J16
Task 1220 of 4096 (1,0,1,2,0,4) R07-M1-N02-J16
Task 1221 of 4096 (1,0,1,2,0,5) R07-M1-N02-J16
Task 1222 of 4096 (1,0,1,2,0,6) R07-M1-N02-J16
Task 1223 of 4096 (1,0,1,2,0,7) R07-M1-N02-J16
Task 1224 of 4096 (1,0,1,2,0,8) R07-M1-N02-J16
Task 1225 of 4096 (1,0,1,2,0,9) R07-M1-N02-J16
Task 1226 of 4096 (1,0,1,2,0,10) R07-M1-N02-J16
Task 1227 of 4096 (1,0,1,2,0,11) R07-M1-N02-J16
Task 1228 of 4096 (1,0,1,2,0,12) R07-M1-N02-J16
Task 1229 of 4096 (1,0,1,2,0,13) R07-M1-N02-J16
Task 1230 of 4096 (1,0,1,2,0,14) R07-M1-N02-J16
Task 1231 of 4096 (1,0,1,2,0,15) R07-M1-N02-J16
Task 1232 of 4096 (1,0,1,2,1,0) R07-M1-N02-J23
Task 1233 of 4096 (1,0,1,2,1,1) R07-M1-N02-J23
Task 1234 of 4096 (1,0,1,2,1,2) R07-M1-N02-J23
Task 1235 of 4096 (1,0,1,2,1,3) R07-M1-N02-J23
Task 1236 of 4096 (1,0,1,2,1,4) R07-M1-N02-J23
Task 1237 of 4096 (1,0,1,2,1,5) R07-M1-N02-J23
Task 1238 of 4096 (1,0,1,2,1,6) R07-M1-N02-J23
Task 1239 of 4096 (1,0,1,2,1,7) R07-M1-N02-J23
Task 1240 of 4096 (1,0,1,2,1,8) R07-M1-N02-J23
Task 1241 of 4096 (1,0,1,2,1,9) R07-M1-N02-J23
Task 1242 of 4096 (1,0,1,2,1,10) R07-M1-N02-J23
Task 1243 of 4096 (1,0,1,2,1,11) R07-M1-N02-J23
Task 1244 of 4096 (1,0,1,2,1,12) R07-M1-N02-J23
Task 1245 of 4096 (1,0,1,2,1,13) R07-M1-N02-J23
Task 1246 of 4096 (1,0,1,2,1,14) R07-M1-N02-J23
Task 1247 of 4096 (1,0,1,2,1,15) R07-M1-N02-J23
Task 1248 of 4096 (1,0,1,3,0,0) R07-M1-N02-J28
Task 1249 of 4096 (1,0,1,3,0,1) R07-M1-N02-J28
Task 1250 of 4096 (1,0,1,3,0,2) R07-M1-N02-J28
Task 1251 of 4096 (1,0,1,3,0,3) R07-M1-N02-J28
Task 1252 of 4096 (1,0,1,3,0,4) R07-M1-N02-J28
Task 1253 of 4096 (1,0,1,3,0,5) R07-M1-N02-J28
Task 1254 of 4096 (1,0,1,3,0,6) R07-M1-N02-J28
Task 1255 of 4096 (1,0,1,3,0,7) R07-M1-N02-J28
Task 1256 of 4096 (1,0,1,3,0,8) R07-M1-N02-J28
Task 1257 of 4096 (1,0,1,3,0,9) R07-M1-N02-J28
Task 1258 of 4096 (1,0,1,3,0,10) R07-M1-N02-J28
Task 1259 of 4096 (1,0,1,3,0,11) R07-M1-N02-J28
Task 1260 of 4096 (1,0,1,3,0,12) R07-M1-N02-J28
Task 1261 of 4096 (1,0,1,3,0,13) R07-M1-N02-J28
Task 1262 of 4096 (1,0,1,3,0,14) R07-M1-N02-J28
Task 1263 of 4096 (1,0,1,3,0,15) R07-M1-N02-J28
Task 1264 of 4096 (1,0,1,3,1,0) R07-M1-N02-J27
Task 1265 of 4096 (1,0,1,3,1,1) R07-M1-N02-J27
Task 1266 of 4096 (1,0,1,3,1,2) R07-M1-N02-J27
Task 1267 of 4096 (1,0,1,3,1,3) R07-M1-N02-J27
Task 1268 of 4096 (1,0,1,3,1,4) R07-M1-N02-J27
Task 1269 of 4096 (1,0,1,3,1,5) R07-M1-N02-J27
Task 1270 of 4096 (1,0,1,3,1,6) R07-M1-N02-J27
Task 1271 of 4096 (1,0,1,3,1,7) R07-M1-N02-J27
Task 1272 of 4096 (1,0,1,3,1,8) R07-M1-N02-J27
Task 1273 of 4096 (1,0,1,3,1,9) R07-M1-N02-J27
Task 1274 of 4096 (1,0,1,3,1,10) R07-M1-N02-J27
Task 1275 of 4096 (1,0,1,3,1,11) R07-M1-N02-J27
Task 1276 of 4096 (1,0,1,3,1,12) R07-M1-N02-J27
Task 1277 of 4096 (1,0,1,3,1,13) R07-M1-N02-J27
Task 1278 of 4096 (1,0,1,3,1,14) R07-M1-N02-J27
Task 1279 of 4096 (1,0,1,3,1,15) R07-M1-N02-J27
Task 1280 of 4096 (1,0,2,0,0,0) R07-M1-N01-J28
Task 1281 of 4096 (1,0,2,0,0,1) R07-M1-N01-J28
Task 1282 of 4096 (1,0,2,0,0,2) R07-M1-N01-J28
Task 1283 of 4096 (1,0,2,0,0,3) R07-M1-N01-J28
Task 1284 of 4096 (1,0,2,0,0,4) R07-M1-N01-J28
Task 1285 of 4096 (1,0,2,0,0,5) R07-M1-N01-J28
Task 1286 of 4096 (1,0,2,0,0,6) R07-M1-N01-J28
Task 1287 of 4096 (1,0,2,0,0,7) R07-M1-N01-J28
Task 1288 of 4096 (1,0,2,0,0,8) R07-M1-N01-J28
Task 1289 of 4096 (1,0,2,0,0,9) R07-M1-N01-J28
Task 1290 of 4096 (1,0,2,0,0,10) R07-M1-N01-J28
Task 1291 of 4096 (1,0,2,0,0,11) R07-M1-N01-J28
Task 1292 of 4096 (1,0,2,0,0,12) R07-M1-N01-J28
Task 1293 of 4096 (1,0,2,0,0,13) R07-M1-N01-J28
Task 1294 of 4096 (1,0,2,0,0,14) R07-M1-N01-J28
Task 1295 of 4096 (1,0,2,0,0,15) R07-M1-N01-J28
Task 1296 of 4096 (1,0,2,0,1,0) R07-M1-N01-J27
Task 1297 of 4096 (1,0,2,0,1,1) R07-M1-N01-J27
Task 1298 of 4096 (1,0,2,0,1,2) R07-M1-N01-J27
Task 1299 of 4096 (1,0,2,0,1,3) R07-M1-N01-J27
Task 1300 of 4096 (1,0,2,0,1,4) R07-M1-N01-J27
Task 1301 of 4096 (1,0,2,0,1,5) R07-M1-N01-J27
Task 1302 of 4096 (1,0,2,0,1,6) R07-M1-N01-J27
Task 1303 of 4096 (1,0,2,0,1,7) R07-M1-N01-J27
Task 1304 of 4096 (1,0,2,0,1,8) R07-M1-N01-J27
Task 1305 of 4096 (1,0,2,0,1,9) R07-M1-N01-J27
Task 1306 of 4096 (1,0,2,0,1,10) R07-M1-N01-J27
Task 1307 of 4096 (1,0,2,0,1,11) R07-M1-N01-J27
Task 1308 of 4096 (1,0,2,0,1,12) R07-M1-N01-J27
Task 1309 of 4096 (1,0,2,0,1,13) R07-M1-N01-J27
Task 1310 of 4096 (1,0,2,0,1,14) R07-M1-N01-J27
Task 1311 of 4096 (1,0,2,0,1,15) R07-M1-N01-J27
Task 1312 of 4096 (1,0,2,1,0,0) R07-M1-N01-J16
Task 1313 of 4096 (1,0,2,1,0,1) R07-M1-N01-J16
Task 1314 of 4096 (1,0,2,1,0,2) R07-M1-N01-J16
Task 1315 of 4096 (1,0,2,1,0,3) R07-M1-N01-J16
Task 1316 of 4096 (1,0,2,1,0,4) R07-M1-N01-J16
Task 1317 of 4096 (1,0,2,1,0,5) R07-M1-N01-J16
Task 1318 of 4096 (1,0,2,1,0,6) R07-M1-N01-J16
Task 1319 of 4096 (1,0,2,1,0,7) R07-M1-N01-J16
Task 1320 of 4096 (1,0,2,1,0,8) R07-M1-N01-J16
Task 1321 of 4096 (1,0,2,1,0,9) R07-M1-N01-J16
Task 1322 of 4096 (1,0,2,1,0,10) R07-M1-N01-J16
Task 1323 of 4096 (1,0,2,1,0,11) R07-M1-N01-J16
Task 1324 of 4096 (1,0,2,1,0,12) R07-M1-N01-J16
Task 1325 of 4096 (1,0,2,1,0,13) R07-M1-N01-J16
Task 1326 of 4096 (1,0,2,1,0,14) R07-M1-N01-J16
Task 1327 of 4096 (1,0,2,1,0,15) R07-M1-N01-J16
Task 1328 of 4096 (1,0,2,1,1,0) R07-M1-N01-J23
Task 1329 of 4096 (1,0,2,1,1,1) R07-M1-N01-J23
Task 1330 of 4096 (1,0,2,1,1,2) R07-M1-N01-J23
Task 1331 of 4096 (1,0,2,1,1,3) R07-M1-N01-J23
Task 1332 of 4096 (1,0,2,1,1,4) R07-M1-N01-J23
Task 1333 of 4096 (1,0,2,1,1,5) R07-M1-N01-J23
Task 1334 of 4096 (1,0,2,1,1,6) R07-M1-N01-J23
Task 1335 of 4096 (1,0,2,1,1,7) R07-M1-N01-J23
Task 1336 of 4096 (1,0,2,1,1,8) R07-M1-N01-J23
Task 1337 of 4096 (1,0,2,1,1,9) R07-M1-N01-J23
Task 1338 of 4096 (1,0,2,1,1,10) R07-M1-N01-J23
Task 1339 of 4096 (1,0,2,1,1,11) R07-M1-N01-J23
Task 1340 of 4096 (1,0,2,1,1,12) R07-M1-N01-J23
Task 1341 of 4096 (1,0,2,1,1,13) R07-M1-N01-J23
Task 1342 of 4096 (1,0,2,1,1,14) R07-M1-N01-J23
Task 1343 of 4096 (1,0,2,1,1,15) R07-M1-N01-J23
Task 1344 of 4096 (1,0,2,2,0,0) R07-M1-N03-J16
Task 1345 of 4096 (1,0,2,2,0,1) R07-M1-N03-J16
Task 1346 of 4096 (1,0,2,2,0,2) R07-M1-N03-J16
Task 1347 of 4096 (1,0,2,2,0,3) R07-M1-N03-J16
Task 1348 of 4096 (1,0,2,2,0,4) R07-M1-N03-J16
Task 1349 of 4096 (1,0,2,2,0,5) R07-M1-N03-J16
Task 1350 of 4096 (1,0,2,2,0,6) R07-M1-N03-J16
Task 1351 of 4096 (1,0,2,2,0,7) R07-M1-N03-J16
Task 1352 of 4096 (1,0,2,2,0,8) R07-M1-N03-J16
Task 1353 of 4096 (1,0,2,2,0,9) R07-M1-N03-J16
Task 1354 of 4096 (1,0,2,2,0,10) R07-M1-N03-J16
Task 1355 of 4096 (1,0,2,2,0,11) R07-M1-N03-J16
Task 1356 of 4096 (1,0,2,2,0,12) R07-M1-N03-J16
Task 1357 of 4096 (1,0,2,2,0,13) R07-M1-N03-J16
Task 1358 of 4096 (1,0,2,2,0,14) R07-M1-N03-J16
Task 1359 of 4096 (1,0,2,2,0,15) R07-M1-N03-J16
Task 1360 of 4096 (1,0,2,2,1,0) R07-M1-N03-J23
Task 1361 of 4096 (1,0,2,2,1,1) R07-M1-N03-J23
Task 1362 of 4096 (1,0,2,2,1,2) R07-M1-N03-J23
Task 1363 of 4096 (1,0,2,2,1,3) R07-M1-N03-J23
Task 1364 of 4096 (1,0,2,2,1,4) R07-M1-N03-J23
Task 1365 of 4096 (1,0,2,2,1,5) R07-M1-N03-J23
Task 1366 of 4096 (1,0,2,2,1,6) R07-M1-N03-J23
Task 1367 of 4096 (1,0,2,2,1,7) R07-M1-N03-J23
Task 1368 of 4096 (1,0,2,2,1,8) R07-M1-N03-J23
Task 1369 of 4096 (1,0,2,2,1,9) R07-M1-N03-J23
Task 1370 of 4096 (1,0,2,2,1,10) R07-M1-N03-J23
Task 1371 of 4096 (1,0,2,2,1,11) R07-M1-N03-J23
Task 1372 of 4096 (1,0,2,2,1,12) R07-M1-N03-J23
Task 1373 of 4096 (1,0,2,2,1,13) R07-M1-N03-J23
Task 1374 of 4096 (1,0,2,2,1,14) R07-M1-N03-J23
Task 1375 of 4096 (1,0,2,2,1,15) R07-M1-N03-J23
Task 1376 of 4096 (1,0,2,3,0,0) R07-M1-N03-J28
Task 1377 of 4096 (1,0,2,3,0,1) R07-M1-N03-J28
Task 1378 of 4096 (1,0,2,3,0,2) R07-M1-N03-J28
Task 1379 of 4096 (1,0,2,3,0,3) R07-M1-N03-J28
Task 1380 of 4096 (1,0,2,3,0,4) R07-M1-N03-J28
Task 1381 of 4096 (1,0,2,3,0,5) R07-M1-N03-J28
Task 1382 of 4096 (1,0,2,3,0,6) R07-M1-N03-J28
Task 1383 of 4096 (1,0,2,3,0,7) R07-M1-N03-J28
Task 1384 of 4096 (1,0,2,3,0,8) R07-M1-N03-J28
Task 1385 of 4096 (1,0,2,3,0,9) R07-M1-N03-J28
Task 1386 of 4096 (1,0,2,3,0,10) R07-M1-N03-J28
Task 1387 of 4096 (1,0,2,3,0,11) R07-M1-N03-J28
Task 1388 of 4096 (1,0,2,3,0,12) R07-M1-N03-J28
Task 1389 of 4096 (1,0,2,3,0,13) R07-M1-N03-J28
Task 1390 of 4096 (1,0,2,3,0,14) R07-M1-N03-J28
Task 1391 of 4096 (1,0,2,3,0,15) R07-M1-N03-J28
Task 1392 of 4096 (1,0,2,3,1,0) R07-M1-N03-J27
Task 1393 of 4096 (1,0,2,3,1,1) R07-M1-N03-J27
Task 1394 of 4096 (1,0,2,3,1,2) R07-M1-N03-J27
Task 1395 of 4096 (1,0,2,3,1,3) R07-M1-N03-J27
Task 1396 of 4096 (1,0,2,3,1,4) R07-M1-N03-J27
Task 1397 of 4096 (1,0,2,3,1,5) R07-M1-N03-J27
Task 1398 of 4096 (1,0,2,3,1,6) R07-M1-N03-J27
Task 1399 of 4096 (1,0,2,3,1,7) R07-M1-N03-J27
Task 1400 of 4096 (1,0,2,3,1,8) R07-M1-N03-J27
Task 1401 of 4096 (1,0,2,3,1,9) R07-M1-N03-J27
Task 1402 of 4096 (1,0,2,3,1,10) R07-M1-N03-J27
Task 1403 of 4096 (1,0,2,3,1,11) R07-M1-N03-J27
Task 1404 of 4096 (1,0,2,3,1,12) R07-M1-N03-J27
Task 1405 of 4096 (1,0,2,3,1,13) R07-M1-N03-J27
Task 1406 of 4096 (1,0,2,3,1,14) R07-M1-N03-J27
Task 1407 of 4096 (1,0,2,3,1,15) R07-M1-N03-J27
Task 1408 of 4096 (1,0,3,0,0,0) R07-M1-N01-J29
Task 1409 of 4096 (1,0,3,0,0,1) R07-M1-N01-J29
Task 1410 of 4096 (1,0,3,0,0,2) R07-M1-N01-J29
Task 1411 of 4096 (1,0,3,0,0,3) R07-M1-N01-J29
Task 1412 of 4096 (1,0,3,0,0,4) R07-M1-N01-J29
Task 1413 of 4096 (1,0,3,0,0,5) R07-M1-N01-J29
Task 1414 of 4096 (1,0,3,0,0,6) R07-M1-N01-J29
Task 1415 of 4096 (1,0,3,0,0,7) R07-M1-N01-J29
Task 1416 of 4096 (1,0,3,0,0,8) R07-M1-N01-J29
Task 1417 of 4096 (1,0,3,0,0,9) R07-M1-N01-J29
Task 1418 of 4096 (1,0,3,0,0,10) R07-M1-N01-J29
Task 1419 of 4096 (1,0,3,0,0,11) R07-M1-N01-J29
Task 1420 of 4096 (1,0,3,0,0,12) R07-M1-N01-J29
Task 1421 of 4096 (1,0,3,0,0,13) R07-M1-N01-J29
Task 1422 of 4096 (1,0,3,0,0,14) R07-M1-N01-J29
Task 1423 of 4096 (1,0,3,0,0,15) R07-M1-N01-J29
Task 1424 of 4096 (1,0,3,0,1,0) R07-M1-N01-J26
Task 1425 of 4096 (1,0,3,0,1,1) R07-M1-N01-J26
Task 1426 of 4096 (1,0,3,0,1,2) R07-M1-N01-J26
Task 1427 of 4096 (1,0,3,0,1,3) R07-M1-N01-J26
Task 1428 of 4096 (1,0,3,0,1,4) R07-M1-N01-J26
Task 1429 of 4096 (1,0,3,0,1,5) R07-M1-N01-J26
Task 1430 of 4096 (1,0,3,0,1,6) R07-M1-N01-J26
Task 1431 of 4096 (1,0,3,0,1,7) R07-M1-N01-J26
Task 1432 of 4096 (1,0,3,0,1,8) R07-M1-N01-J26
Task 1433 of 4096 (1,0,3,0,1,9) R07-M1-N01-J26
Task 1434 of 4096 (1,0,3,0,1,10) R07-M1-N01-J26
Task 1435 of 4096 (1,0,3,0,1,11) R07-M1-N01-J26
Task 1436 of 4096 (1,0,3,0,1,12) R07-M1-N01-J26
Task 1437 of 4096 (1,0,3,0,1,13) R07-M1-N01-J26
Task 1438 of 4096 (1,0,3,0,1,14) R07-M1-N01-J26
Task 1439 of 4096 (1,0,3,0,1,15) R07-M1-N01-J26
Task 1440 of 4096 (1,0,3,1,0,0) R07-M1-N01-J17
Task 1441 of 4096 (1,0,3,1,0,1) R07-M1-N01-J17
Task 1442 of 4096 (1,0,3,1,0,2) R07-M1-N01-J17
Task 1443 of 4096 (1,0,3,1,0,3) R07-M1-N01-J17
Task 1444 of 4096 (1,0,3,1,0,4) R07-M1-N01-J17
Task 1445 of 4096 (1,0,3,1,0,5) R07-M1-N01-J17
Task 1446 of 4096 (1,0,3,1,0,6) R07-M1-N01-J17
Task 1447 of 4096 (1,0,3,1,0,7) R07-M1-N01-J17
Task 1448 of 4096 (1,0,3,1,0,8) R07-M1-N01-J17
Task 1449 of 4096 (1,0,3,1,0,9) R07-M1-N01-J17
Task 1450 of 4096 (1,0,3,1,0,10) R07-M1-N01-J17
Task 1451 of 4096 (1,0,3,1,0,11) R07-M1-N01-J17
Task 1452 of 4096 (1,0,3,1,0,12) R07-M1-N01-J17
Task 1453 of 4096 (1,0,3,1,0,13) R07-M1-N01-J17
Task 1454 of 4096 (1,0,3,1,0,14) R07-M1-N01-J17
Task 1455 of 4096 (1,0,3,1,0,15) R07-M1-N01-J17
Task 1456 of 4096 (1,0,3,1,1,0) R07-M1-N01-J22
Task 1457 of 4096 (1,0,3,1,1,1) R07-M1-N01-J22
Task 1458 of 4096 (1,0,3,1,1,2) R07-M1-N01-J22
Task 1459 of 4096 (1,0,3,1,1,3) R07-M1-N01-J22
Task 1460 of 4096 (1,0,3,1,1,4) R07-M1-N01-J22
Task 1461 of 4096 (1,0,3,1,1,5) R07-M1-N01-J22
Task 1462 of 4096 (1,0,3,1,1,6) R07-M1-N01-J22
Task 1463 of 4096 (1,0,3,1,1,7) R07-M1-N01-J22
Task 1464 of 4096 (1,0,3,1,1,8) R07-M1-N01-J22
Task 1465 of 4096 (1,0,3,1,1,9) R07-M1-N01-J22
Task 1466 of 4096 (1,0,3,1,1,10) R07-M1-N01-J22
Task 1467 of 4096 (1,0,3,1,1,11) R07-M1-N01-J22
Task 1468 of 4096 (1,0,3,1,1,12) R07-M1-N01-J22
Task 1469 of 4096 (1,0,3,1,1,13) R07-M1-N01-J22
Task 1470 of 4096 (1,0,3,1,1,14) R07-M1-N01-J22
Task 1471 of 4096 (1,0,3,1,1,15) R07-M1-N01-J22
Task 1472 of 4096 (1,0,3,2,0,0) R07-M1-N03-J17
Task 1473 of 4096 (1,0,3,2,0,1) R07-M1-N03-J17
Task 1474 of 4096 (1,0,3,2,0,2) R07-M1-N03-J17
Task 1475 of 4096 (1,0,3,2,0,3) R07-M1-N03-J17
Task 1476 of 4096 (1,0,3,2,0,4) R07-M1-N03-J17
Task 1477 of 4096 (1,0,3,2,0,5) R07-M1-N03-J17
Task 1478 of 4096 (1,0,3,2,0,6) R07-M1-N03-J17
Task 1479 of 4096 (1,0,3,2,0,7) R07-M1-N03-J17
Task 1480 of 4096 (1,0,3,2,0,8) R07-M1-N03-J17
Task 1481 of 4096 (1,0,3,2,0,9) R07-M1-N03-J17
Task 1482 of 4096 (1,0,3,2,0,10) R07-M1-N03-J17
Task 1483 of 4096 (1,0,3,2,0,11) R07-M1-N03-J17
Task 1484 of 4096 (1,0,3,2,0,12) R07-M1-N03-J17
Task 1485 of 4096 (1,0,3,2,0,13) R07-M1-N03-J17
Task 1486 of 4096 (1,0,3,2,0,14) R07-M1-N03-J17
Task 1487 of 4096 (1,0,3,2,0,15) R07-M1-N03-J17
Task 1488 of 4096 (1,0,3,2,1,0) R07-M1-N03-J22
Task 1489 of 4096 (1,0,3,2,1,1) R07-M1-N03-J22
Task 1490 of 4096 (1,0,3,2,1,2) R07-M1-N03-J22
Task 1491 of 4096 (1,0,3,2,1,3) R07-M1-N03-J22
Task 1492 of 4096 (1,0,3,2,1,4) R07-M1-N03-J22
Task 1493 of 4096 (1,0,3,2,1,5) R07-M1-N03-J22
Task 1494 of 4096 (1,0,3,2,1,6) R07-M1-N03-J22
Task 1495 of 4096 (1,0,3,2,1,7) R07-M1-N03-J22
Task 1496 of 4096 (1,0,3,2,1,8) R07-M1-N03-J22
Task 1497 of 4096 (1,0,3,2,1,9) R07-M1-N03-J22
Task 1498 of 4096 (1,0,3,2,1,10) R07-M1-N03-J22
Task 1499 of 4096 (1,0,3,2,1,11) R07-M1-N03-J22
Task 1500 of 4096 (1,0,3,2,1,12) R07-M1-N03-J22
Task 1501 of 4096 (1,0,3,2,1,13) R07-M1-N03-J22
Task 1502 of 4096 (1,0,3,2,1,14) R07-M1-N03-J22
Task 1503 of 4096 (1,0,3,2,1,15) R07-M1-N03-J22
Task 1504 of 4096 (1,0,3,3,0,0) R07-M1-N03-J29
Task 1505 of 4096 (1,0,3,3,0,1) R07-M1-N03-J29
Task 1506 of 4096 (1,0,3,3,0,2) R07-M1-N03-J29
Task 1507 of 4096 (1,0,3,3,0,3) R07-M1-N03-J29
Task 1508 of 4096 (1,0,3,3,0,4) R07-M1-N03-J29
Task 1509 of 4096 (1,0,3,3,0,5) R07-M1-N03-J29
Task 1510 of 4096 (1,0,3,3,0,6) R07-M1-N03-J29
Task 1511 of 4096 (1,0,3,3,0,7) R07-M1-N03-J29
Task 1512 of 4096 (1,0,3,3,0,8) R07-M1-N03-J29
Task 1513 of 4096 (1,0,3,3,0,9) R07-M1-N03-J29
Task 1514 of 4096 (1,0,3,3,0,10) R07-M1-N03-J29
Task 1515 of 4096 (1,0,3,3,0,11) R07-M1-N03-J29
Task 1516 of 4096 (1,0,3,3,0,12) R07-M1-N03-J29
Task 1517 of 4096 (1,0,3,3,0,13) R07-M1-N03-J29
Task 1518 of 4096 (1,0,3,3,0,14) R07-M1-N03-J29
Task 1519 of 4096 (1,0,3,3,0,15) R07-M1-N03-J29
Task 1520 of 4096 (1,0,3,3,1,0) R07-M1-N03-J26
Task 1521 of 4096 (1,0,3,3,1,1) R07-M1-N03-J26
Task 1522 of 4096 (1,0,3,3,1,2) R07-M1-N03-J26
Task 1523 of 4096 (1,0,3,3,1,3) R07-M1-N03-J26
Task 1524 of 4096 (1,0,3,3,1,4) R07-M1-N03-J26
Task 1525 of 4096 (1,0,3,3,1,5) R07-M1-N03-J26
Task 1526 of 4096 (1,0,3,3,1,6) R07-M1-N03-J26
Task 1527 of 4096 (1,0,3,3,1,7) R07-M1-N03-J26
Task 1528 of 4096 (1,0,3,3,1,8) R07-M1-N03-J26
Task 1529 of 4096 (1,0,3,3,1,9) R07-M1-N03-J26
Task 1530 of 4096 (1,0,3,3,1,10) R07-M1-N03-J26
Task 1531 of 4096 (1,0,3,3,1,11) R07-M1-N03-J26
Task 1532 of 4096 (1,0,3,3,1,12) R07-M1-N03-J26
Task 1533 of 4096 (1,0,3,3,1,13) R07-M1-N03-J26
Task 1534 of 4096 (1,0,3,3,1,14) R07-M1-N03-J26
Task 1535 of 4096 (1,0,3,3,1,15) R07-M1-N03-J26
Task 1536 of 4096 (1,1,0,0,0,0) R07-M1-N00-J30
Task 1537 of 4096 (1,1,0,0,0,1) R07-M1-N00-J30
Task 1538 of 4096 (1,1,0,0,0,2) R07-M1-N00-J30
Task 1539 of 4096 (1,1,0,0,0,3) R07-M1-N00-J30
Task 1540 of 4096 (1,1,0,0,0,4) R07-M1-N00-J30
Task 1541 of 4096 (1,1,0,0,0,5) R07-M1-N00-J30
Task 1542 of 4096 (1,1,0,0,0,6) R07-M1-N00-J30
Task 1543 of 4096 (1,1,0,0,0,7) R07-M1-N00-J30
Task 1544 of 4096 (1,1,0,0,0,8) R07-M1-N00-J30
Task 1545 of 4096 (1,1,0,0,0,9) R07-M1-N00-J30
Task 1546 of 4096 (1,1,0,0,0,10) R07-M1-N00-J30
Task 1547 of 4096 (1,1,0,0,0,11) R07-M1-N00-J30
Task 1548 of 4096 (1,1,0,0,0,12) R07-M1-N00-J30
Task 1549 of 4096 (1,1,0,0,0,13) R07-M1-N00-J30
Task 1550 of 4096 (1,1,0,0,0,14) R07-M1-N00-J30
Task 1551 of 4096 (1,1,0,0,0,15) R07-M1-N00-J30
Task 1552 of 4096 (1,1,0,0,1,0) R07-M1-N00-J25
Task 1553 of 4096 (1,1,0,0,1,1) R07-M1-N00-J25
Task 1554 of 4096 (1,1,0,0,1,2) R07-M1-N00-J25
Task 1555 of 4096 (1,1,0,0,1,3) R07-M1-N00-J25
Task 1556 of 4096 (1,1,0,0,1,4) R07-M1-N00-J25
Task 1557 of 4096 (1,1,0,0,1,5) R07-M1-N00-J25
Task 1558 of 4096 (1,1,0,0,1,6) R07-M1-N00-J25
Task 1559 of 4096 (1,1,0,0,1,7) R07-M1-N00-J25
Task 1560 of 4096 (1,1,0,0,1,8) R07-M1-N00-J25
Task 1561 of 4096 (1,1,0,0,1,9) R07-M1-N00-J25
Task 1562 of 4096 (1,1,0,0,1,10) R07-M1-N00-J25
Task 1563 of 4096 (1,1,0,0,1,11) R07-M1-N00-J25
Task 1564 of 4096 (1,1,0,0,1,12) R07-M1-N00-J25
Task 1565 of 4096 (1,1,0,0,1,13) R07-M1-N00-J25
Task 1566 of 4096 (1,1,0,0,1,14) R07-M1-N00-J25
Task 1567 of 4096 (1,1,0,0,1,15) R07-M1-N00-J25
Task 1568 of 4096 (1,1,0,1,0,0) R07-M1-N00-J18
Task 1569 of 4096 (1,1,0,1,0,1) R07-M1-N00-J18
Task 1570 of 4096 (1,1,0,1,0,2) R07-M1-N00-J18
Task 1571 of 4096 (1,1,0,1,0,3) R07-M1-N00-J18
Task 1572 of 4096 (1,1,0,1,0,4) R07-M1-N00-J18
Task 1573 of 4096 (1,1,0,1,0,5) R07-M1-N00-J18
Task 1574 of 4096 (1,1,0,1,0,6) R07-M1-N00-J18
Task 1575 of 4096 (1,1,0,1,0,7) R07-M1-N00-J18
Task 1576 of 4096 (1,1,0,1,0,8) R07-M1-N00-J18
Task 1577 of 4096 (1,1,0,1,0,9) R07-M1-N00-J18
Task 1578 of 4096 (1,1,0,1,0,10) R07-M1-N00-J18
Task 1579 of 4096 (1,1,0,1,0,11) R07-M1-N00-J18
Task 1580 of 4096 (1,1,0,1,0,12) R07-M1-N00-J18
Task 1581 of 4096 (1,1,0,1,0,13) R07-M1-N00-J18
Task 1582 of 4096 (1,1,0,1,0,14) R07-M1-N00-J18
Task 1583 of 4096 (1,1,0,1,0,15) R07-M1-N00-J18
Task 1584 of 4096 (1,1,0,1,1,0) R07-M1-N00-J21
Task 1585 of 4096 (1,1,0,1,1,1) R07-M1-N00-J21
Task 1586 of 4096 (1,1,0,1,1,2) R07-M1-N00-J21
Task 1587 of 4096 (1,1,0,1,1,3) R07-M1-N00-J21
Task 1588 of 4096 (1,1,0,1,1,4) R07-M1-N00-J21
Task 1589 of 4096 (1,1,0,1,1,5) R07-M1-N00-J21
Task 1590 of 4096 (1,1,0,1,1,6) R07-M1-N00-J21
Task 1591 of 4096 (1,1,0,1,1,7) R07-M1-N00-J21
Task 1592 of 4096 (1,1,0,1,1,8) R07-M1-N00-J21
Task 1593 of 4096 (1,1,0,1,1,9) R07-M1-N00-J21
Task 1594 of 4096 (1,1,0,1,1,10) R07-M1-N00-J21
Task 1595 of 4096 (1,1,0,1,1,11) R07-M1-N00-J21
Task 1596 of 4096 (1,1,0,1,1,12) R07-M1-N00-J21
Task 1597 of 4096 (1,1,0,1,1,13) R07-M1-N00-J21
Task 1598 of 4096 (1,1,0,1,1,14) R07-M1-N00-J21
Task 1599 of 4096 (1,1,0,1,1,15) R07-M1-N00-J21
Task 1600 of 4096 (1,1,0,2,0,0) R07-M1-N02-J18
Task 1601 of 4096 (1,1,0,2,0,1) R07-M1-N02-J18
Task 1602 of 4096 (1,1,0,2,0,2) R07-M1-N02-J18
Task 1603 of 4096 (1,1,0,2,0,3) R07-M1-N02-J18
Task 1604 of 4096 (1,1,0,2,0,4) R07-M1-N02-J18
Task 1605 of 4096 (1,1,0,2,0,5) R07-M1-N02-J18
Task 1606 of 4096 (1,1,0,2,0,6) R07-M1-N02-J18
Task 1607 of 4096 (1,1,0,2,0,7) R07-M1-N02-J18
Task 1608 of 4096 (1,1,0,2,0,8) R07-M1-N02-J18
Task 1609 of 4096 (1,1,0,2,0,9) R07-M1-N02-J18
Task 1610 of 4096 (1,1,0,2,0,10) R07-M1-N02-J18
Task 1611 of 4096 (1,1,0,2,0,11) R07-M1-N02-J18
Task 1612 of 4096 (1,1,0,2,0,12) R07-M1-N02-J18
Task 1613 of 4096 (1,1,0,2,0,13) R07-M1-N02-J18
Task 1614 of 4096 (1,1,0,2,0,14) R07-M1-N02-J18
Task 1615 of 4096 (1,1,0,2,0,15) R07-M1-N02-J18
Task 1616 of 4096 (1,1,0,2,1,0) R07-M1-N02-J21
Task 1617 of 4096 (1,1,0,2,1,1) R07-M1-N02-J21
Task 1618 of 4096 (1,1,0,2,1,2) R07-M1-N02-J21
Task 1619 of 4096 (1,1,0,2,1,3) R07-M1-N02-J21
Task 1620 of 4096 (1,1,0,2,1,4) R07-M1-N02-J21
Task 1621 of 4096 (1,1,0,2,1,5) R07-M1-N02-J21
Task 1622 of 4096 (1,1,0,2,1,6) R07-M1-N02-J21
Task 1623 of 4096 (1,1,0,2,1,7) R07-M1-N02-J21
Task 1624 of 4096 (1,1,0,2,1,8) R07-M1-N02-J21
Task 1625 of 4096 (1,1,0,2,1,9) R07-M1-N02-J21
Task 1626 of 4096 (1,1,0,2,1,10) R07-M1-N02-J21
Task 1627 of 4096 (1,1,0,2,1,11) R07-M1-N02-J21
Task 1628 of 4096 (1,1,0,2,1,12) R07-M1-N02-J21
Task 1629 of 4096 (1,1,0,2,1,13) R07-M1-N02-J21
Task 1630 of 4096 (1,1,0,2,1,14) R07-M1-N02-J21
Task 1631 of 4096 (1,1,0,2,1,15) R07-M1-N02-J21
Task 1632 of 4096 (1,1,0,3,0,0) R07-M1-N02-J30
Task 1633 of 4096 (1,1,0,3,0,1) R07-M1-N02-J30
Task 1634 of 4096 (1,1,0,3,0,2) R07-M1-N02-J30
Task 1635 of 4096 (1,1,0,3,0,3) R07-M1-N02-J30
Task 1636 of 4096 (1,1,0,3,0,4) R07-M1-N02-J30
Task 1637 of 4096 (1,1,0,3,0,5) R07-M1-N02-J30
Task 1638 of 4096 (1,1,0,3,0,6) R07-M1-N02-J30
Task 1639 of 4096 (1,1,0,3,0,7) R07-M1-N02-J30
Task 1640 of 4096 (1,1,0,3,0,8) R07-M1-N02-J30
Task 1641 of 4096 (1,1,0,3,0,9) R07-M1-N02-J30
Task 1642 of 4096 (1,1,0,3,0,10) R07-M1-N02-J30
Task 1643 of 4096 (1,1,0,3,0,11) R07-M1-N02-J30
Task 1644 of 4096 (1,1,0,3,0,12) R07-M1-N02-J30
Task 1645 of 4096 (1,1,0,3,0,13) R07-M1-N02-J30
Task 1646 of 4096 (1,1,0,3,0,14) R07-M1-N02-J30
Task 1647 of 4096 (1,1,0,3,0,15) R07-M1-N02-J30
Task 1648 of 4096 (1,1,0,3,1,0) R07-M1-N02-J25
Task 1649 of 4096 (1,1,0,3,1,1) R07-M1-N02-J25
Task 1650 of 4096 (1,1,0,3,1,2) R07-M1-N02-J25
Task 1651 of 4096 (1,1,0,3,1,3) R07-M1-N02-J25
Task 1652 of 4096 (1,1,0,3,1,4) R07-M1-N02-J25
Task 1653 of 4096 (1,1,0,3,1,5) R07-M1-N02-J25
Task 1654 of 4096 (1,1,0,3,1,6) R07-M1-N02-J25
Task 1655 of 4096 (1,1,0,3,1,7) R07-M1-N02-J25
Task 1656 of 4096 (1,1,0,3,1,8) R07-M1-N02-J25
Task 1657 of 4096 (1,1,0,3,1,9) R07-M1-N02-J25
Task 1658 of 4096 (1,1,0,3,1,10) R07-M1-N02-J25
Task 1659 of 4096 (1,1,0,3,1,11) R07-M1-N02-J25
Task 1660 of 4096 (1,1,0,3,1,12) R07-M1-N02-J25
Task 1661 of 4096 (1,1,0,3,1,13) R07-M1-N02-J25
Task 1662 of 4096 (1,1,0,3,1,14) R07-M1-N02-J25
Task 1663 of 4096 (1,1,0,3,1,15) R07-M1-N02-J25
Task 1664 of 4096 (1,1,1,0,0,0) R07-M1-N00-J31
Task 1665 of 4096 (1,1,1,0,0,1) R07-M1-N00-J31
Task 1666 of 4096 (1,1,1,0,0,2) R07-M1-N00-J31
Task 1667 of 4096 (1,1,1,0,0,3) R07-M1-N00-J31
Task 1668 of 4096 (1,1,1,0,0,4) R07-M1-N00-J31
Task 1669 of 4096 (1,1,1,0,0,5) R07-M1-N00-J31
Task 1670 of 4096 (1,1,1,0,0,6) R07-M1-N00-J31
Task 1671 of 4096 (1,1,1,0,0,7) R07-M1-N00-J31
Task 1672 of 4096 (1,1,1,0,0,8) R07-M1-N00-J31
Task 1673 of 4096 (1,1,1,0,0,9) R07-M1-N00-J31
Task 1674 of 4096 (1,1,1,0,0,10) R07-M1-N00-J31
Task 1675 of 4096 (1,1,1,0,0,11) R07-M1-N00-J31
Task 1676 of 4096 (1,1,1,0,0,12) R07-M1-N00-J31
Task 1677 of 4096 (1,1,1,0,0,13) R07-M1-N00-J31
Task 1678 of 4096 (1,1,1,0,0,14) R07-M1-N00-J31
Task 1679 of 4096 (1,1,1,0,0,15) R07-M1-N00-J31
Task 1680 of 4096 (1,1,1,0,1,0) R07-M1-N00-J24
Task 1681 of 4096 (1,1,1,0,1,1) R07-M1-N00-J24
Task 1682 of 4096 (1,1,1,0,1,2) R07-M1-N00-J24
Task 1683 of 4096 (1,1,1,0,1,3) R07-M1-N00-J24
Task 1684 of 4096 (1,1,1,0,1,4) R07-M1-N00-J24
Task 1685 of 4096 (1,1,1,0,1,5) R07-M1-N00-J24
Task 1686 of 4096 (1,1,1,0,1,6) R07-M1-N00-J24
Task 1687 of 4096 (1,1,1,0,1,7) R07-M1-N00-J24
Task 1688 of 4096 (1,1,1,0,1,8) R07-M1-N00-J24
Task 1689 of 4096 (1,1,1,0,1,9) R07-M1-N00-J24
Task 1690 of 4096 (1,1,1,0,1,10) R07-M1-N00-J24
Task 1691 of 4096 (1,1,1,0,1,11) R07-M1-N00-J24
Task 1692 of 4096 (1,1,1,0,1,12) R07-M1-N00-J24
Task 1693 of 4096 (1,1,1,0,1,13) R07-M1-N00-J24
Task 1694 of 4096 (1,1,1,0,1,14) R07-M1-N00-J24
Task 1695 of 4096 (1,1,1,0,1,15) R07-M1-N00-J24
Task 1696 of 4096 (1,1,1,1,0,0) R07-M1-N00-J19
Task 1697 of 4096 (1,1,1,1,0,1) R07-M1-N00-J19
Task 1698 of 4096 (1,1,1,1,0,2) R07-M1-N00-J19
Task 1699 of 4096 (1,1,1,1,0,3) R07-M1-N00-J19
Task 1700 of 4096 (1,1,1,1,0,4) R07-M1-N00-J19
Task 1701 of 4096 (1,1,1,1,0,5) R07-M1-N00-J19
Task 1702 of 4096 (1,1,1,1,0,6) R07-M1-N00-J19
Task 1703 of 4096 (1,1,1,1,0,7) R07-M1-N00-J19
Task 1704 of 4096 (1,1,1,1,0,8) R07-M1-N00-J19
Task 1705 of 4096 (1,1,1,1,0,9) R07-M1-N00-J19
Task 1706 of 4096 (1,1,1,1,0,10) R07-M1-N00-J19
Task 1707 of 4096 (1,1,1,1,0,11) R07-M1-N00-J19
Task 1708 of 4096 (1,1,1,1,0,12) R07-M1-N00-J19
Task 1709 of 4096 (1,1,1,1,0,13) R07-M1-N00-J19
Task 1710 of 4096 (1,1,1,1,0,14) R07-M1-N00-J19
Task 1711 of 4096 (1,1,1,1,0,15) R07-M1-N00-J19
Task 1712 of 4096 (1,1,1,1,1,0) R07-M1-N00-J20
Task 1713 of 4096 (1,1,1,1,1,1) R07-M1-N00-J20
Task 1714 of 4096 (1,1,1,1,1,2) R07-M1-N00-J20
Task 1715 of 4096 (1,1,1,1,1,3) R07-M1-N00-J20
Task 1716 of 4096 (1,1,1,1,1,4) R07-M1-N00-J20
Task 1717 of 4096 (1,1,1,1,1,5) R07-M1-N00-J20
Task 1718 of 4096 (1,1,1,1,1,6) R07-M1-N00-J20
Task 1719 of 4096 (1,1,1,1,1,7) R07-M1-N00-J20
Task 1720 of 4096 (1,1,1,1,1,8) R07-M1-N00-J20
Task 1721 of 4096 (1,1,1,1,1,9) R07-M1-N00-J20
Task 1722 of 4096 (1,1,1,1,1,10) R07-M1-N00-J20
Task 1723 of 4096 (1,1,1,1,1,11) R07-M1-N00-J20
Task 1724 of 4096 (1,1,1,1,1,12) R07-M1-N00-J20
Task 1725 of 4096 (1,1,1,1,1,13) R07-M1-N00-J20
Task 1726 of 4096 (1,1,1,1,1,14) R07-M1-N00-J20
Task 1727 of 4096 (1,1,1,1,1,15) R07-M1-N00-J20
Task 1728 of 4096 (1,1,1,2,0,0) R07-M1-N02-J19
Task 1729 of 4096 (1,1,1,2,0,1) R07-M1-N02-J19
Task 1730 of 4096 (1,1,1,2,0,2) R07-M1-N02-J19
Task 1731 of 4096 (1,1,1,2,0,3) R07-M1-N02-J19
Task 1732 of 4096 (1,1,1,2,0,4) R07-M1-N02-J19
Task 1733 of 4096 (1,1,1,2,0,5) R07-M1-N02-J19
Task 1734 of 4096 (1,1,1,2,0,6) R07-M1-N02-J19
Task 1735 of 4096 (1,1,1,2,0,7) R07-M1-N02-J19
Task 1736 of 4096 (1,1,1,2,0,8) R07-M1-N02-J19
Task 1737 of 4096 (1,1,1,2,0,9) R07-M1-N02-J19
Task 1738 of 4096 (1,1,1,2,0,10) R07-M1-N02-J19
Task 1739 of 4096 (1,1,1,2,0,11) R07-M1-N02-J19
Task 1740 of 4096 (1,1,1,2,0,12) R07-M1-N02-J19
Task 1741 of 4096 (1,1,1,2,0,13) R07-M1-N02-J19
Task 1742 of 4096 (1,1,1,2,0,14) R07-M1-N02-J19
Task 1743 of 4096 (1,1,1,2,0,15) R07-M1-N02-J19
Task 1744 of 4096 (1,1,1,2,1,0) R07-M1-N02-J20
Task 1745 of 4096 (1,1,1,2,1,1) R07-M1-N02-J20
Task 1746 of 4096 (1,1,1,2,1,2) R07-M1-N02-J20
Task 1747 of 4096 (1,1,1,2,1,3) R07-M1-N02-J20
Task 1748 of 4096 (1,1,1,2,1,4) R07-M1-N02-J20
Task 1749 of 4096 (1,1,1,2,1,5) R07-M1-N02-J20
Task 1750 of 4096 (1,1,1,2,1,6) R07-M1-N02-J20
Task 1751 of 4096 (1,1,1,2,1,7) R07-M1-N02-J20
Task 1752 of 4096 (1,1,1,2,1,8) R07-M1-N02-J20
Task 1753 of 4096 (1,1,1,2,1,9) R07-M1-N02-J20
Task 1754 of 4096 (1,1,1,2,1,10) R07-M1-N02-J20
Task 1755 of 4096 (1,1,1,2,1,11) R07-M1-N02-J20
Task 1756 of 4096 (1,1,1,2,1,12) R07-M1-N02-J20
Task 1757 of 4096 (1,1,1,2,1,13) R07-M1-N02-J20
Task 1758 of 4096 (1,1,1,2,1,14) R07-M1-N02-J20
Task 1759 of 4096 (1,1,1,2,1,15) R07-M1-N02-J20
Task 1760 of 4096 (1,1,1,3,0,0) R07-M1-N02-J31
Task 1761 of 4096 (1,1,1,3,0,1) R07-M1-N02-J31
Task 1762 of 4096 (1,1,1,3,0,2) R07-M1-N02-J31
Task 1763 of 4096 (1,1,1,3,0,3) R07-M1-N02-J31
Task 1764 of 4096 (1,1,1,3,0,4) R07-M1-N02-J31
Task 1765 of 4096 (1,1,1,3,0,5) R07-M1-N02-J31
Task 1766 of 4096 (1,1,1,3,0,6) R07-M1-N02-J31
Task 1767 of 4096 (1,1,1,3,0,7) R07-M1-N02-J31
Task 1768 of 4096 (1,1,1,3,0,8) R07-M1-N02-J31
Task 1769 of 4096 (1,1,1,3,0,9) R07-M1-N02-J31
Task 1770 of 4096 (1,1,1,3,0,10) R07-M1-N02-J31
Task 1771 of 4096 (1,1,1,3,0,11) R07-M1-N02-J31
Task 1772 of 4096 (1,1,1,3,0,12) R07-M1-N02-J31
Task 1773 of 4096 (1,1,1,3,0,13) R07-M1-N02-J31
Task 1774 of 4096 (1,1,1,3,0,14) R07-M1-N02-J31
Task 1775 of 4096 (1,1,1,3,0,15) R07-M1-N02-J31
Task 1776 of 4096 (1,1,1,3,1,0) R07-M1-N02-J24
Task 1777 of 4096 (1,1,1,3,1,1) R07-M1-N02-J24
Task 1778 of 4096 (1,1,1,3,1,2) R07-M1-N02-J24
Task 1779 of 4096 (1,1,1,3,1,3) R07-M1-N02-J24
Task 1780 of 4096 (1,1,1,3,1,4) R07-M1-N02-J24
Task 1781 of 4096 (1,1,1,3,1,5) R07-M1-N02-J24
Task 1782 of 4096 (1,1,1,3,1,6) R07-M1-N02-J24
Task 1783 of 4096 (1,1,1,3,1,7) R07-M1-N02-J24
Task 1784 of 4096 (1,1,1,3,1,8) R07-M1-N02-J24
Task 1785 of 4096 (1,1,1,3,1,9) R07-M1-N02-J24
Task 1786 of 4096 (1,1,1,3,1,10) R07-M1-N02-J24
Task 1787 of 4096 (1,1,1,3,1,11) R07-M1-N02-J24
Task 1788 of 4096 (1,1,1,3,1,12) R07-M1-N02-J24
Task 1789 of 4096 (1,1,1,3,1,13) R07-M1-N02-J24
Task 1790 of 4096 (1,1,1,3,1,14) R07-M1-N02-J24
Task 1791 of 4096 (1,1,1,3,1,15) R07-M1-N02-J24
Task 1792 of 4096 (1,1,2,0,0,0) R07-M1-N01-J31
Task 1793 of 4096 (1,1,2,0,0,1) R07-M1-N01-J31
Task 1794 of 4096 (1,1,2,0,0,2) R07-M1-N01-J31
Task 1795 of 4096 (1,1,2,0,0,3) R07-M1-N01-J31
Task 1796 of 4096 (1,1,2,0,0,4) R07-M1-N01-J31
Task 1797 of 4096 (1,1,2,0,0,5) R07-M1-N01-J31
Task 1798 of 4096 (1,1,2,0,0,6) R07-M1-N01-J31
Task 1799 of 4096 (1,1,2,0,0,7) R07-M1-N01-J31
Task 1800 of 4096 (1,1,2,0,0,8) R07-M1-N01-J31
Task 1801 of 4096 (1,1,2,0,0,9) R07-M1-N01-J31
Task 1802 of 4096 (1,1,2,0,0,10) R07-M1-N01-J31
Task 1803 of 4096 (1,1,2,0,0,11) R07-M1-N01-J31
Task 1804 of 4096 (1,1,2,0,0,12) R07-M1-N01-J31
Task 1805 of 4096 (1,1,2,0,0,13) R07-M1-N01-J31
Task 1806 of 4096 (1,1,2,0,0,14) R07-M1-N01-J31
Task 1807 of 4096 (1,1,2,0,0,15) R07-M1-N01-J31
Task 1808 of 4096 (1,1,2,0,1,0) R07-M1-N01-J24
Task 1809 of 4096 (1,1,2,0,1,1) R07-M1-N01-J24
Task 1810 of 4096 (1,1,2,0,1,2) R07-M1-N01-J24
Task 1811 of 4096 (1,1,2,0,1,3) R07-M1-N01-J24
Task 1812 of 4096 (1,1,2,0,1,4) R07-M1-N01-J24
Task 1813 of 4096 (1,1,2,0,1,5) R07-M1-N01-J24
Task 1814 of 4096 (1,1,2,0,1,6) R07-M1-N01-J24
Task 1815 of 4096 (1,1,2,0,1,7) R07-M1-N01-J24
Task 1816 of 4096 (1,1,2,0,1,8) R07-M1-N01-J24
Task 1817 of 4096 (1,1,2,0,1,9) R07-M1-N01-J24
Task 1818 of 4096 (1,1,2,0,1,10) R07-M1-N01-J24
Task 1819 of 4096 (1,1,2,0,1,11) R07-M1-N01-J24
Task 1820 of 4096 (1,1,2,0,1,12) R07-M1-N01-J24
Task 1821 of 4096 (1,1,2,0,1,13) R07-M1-N01-J24
Task 1822 of 4096 (1,1,2,0,1,14) R07-M1-N01-J24
Task 1823 of 4096 (1,1,2,0,1,15) R07-M1-N01-J24
Task 1824 of 4096 (1,1,2,1,0,0) R07-M1-N01-J19
Task 1825 of 4096 (1,1,2,1,0,1) R07-M1-N01-J19
Task 1826 of 4096 (1,1,2,1,0,2) R07-M1-N01-J19
Task 1827 of 4096 (1,1,2,1,0,3) R07-M1-N01-J19
Task 1828 of 4096 (1,1,2,1,0,4) R07-M1-N01-J19
Task 1829 of 4096 (1,1,2,1,0,5) R07-M1-N01-J19
Task 1830 of 4096 (1,1,2,1,0,6) R07-M1-N01-J19
Task 1831 of 4096 (1,1,2,1,0,7) R07-M1-N01-J19
Task 1832 of 4096 (1,1,2,1,0,8) R07-M1-N01-J19
Task 1833 of 4096 (1,1,2,1,0,9) R07-M1-N01-J19
Task 1834 of 4096 (1,1,2,1,0,10) R07-M1-N01-J19
Task 1835 of 4096 (1,1,2,1,0,11) R07-M1-N01-J19
Task 1836 of 4096 (1,1,2,1,0,12) R07-M1-N01-J19
Task 1837 of 4096 (1,1,2,1,0,13) R07-M1-N01-J19
Task 1838 of 4096 (1,1,2,1,0,14) R07-M1-N01-J19
Task 1839 of 4096 (1,1,2,1,0,15) R07-M1-N01-J19
Task 1840 of 4096 (1,1,2,1,1,0) R07-M1-N01-J20
Task 1841 of 4096 (1,1,2,1,1,1) R07-M1-N01-J20
Task 1842 of 4096 (1,1,2,1,1,2) R07-M1-N01-J20
Task 1843 of 4096 (1,1,2,1,1,3) R07-M1-N01-J20
Task 1844 of 4096 (1,1,2,1,1,4) R07-M1-N01-J20
Task 1845 of 4096 (1,1,2,1,1,5) R07-M1-N01-J20
Task 1846 of 4096 (1,1,2,1,1,6) R07-M1-N01-J20
Task 1847 of 4096 (1,1,2,1,1,7) R07-M1-N01-J20
Task 1848 of 4096 (1,1,2,1,1,8) R07-M1-N01-J20
Task 1849 of 4096 (1,1,2,1,1,9) R07-M1-N01-J20
Task 1850 of 4096 (1,1,2,1,1,10) R07-M1-N01-J20
Task 1851 of 4096 (1,1,2,1,1,11) R07-M1-N01-J20
Task 1852 of 4096 (1,1,2,1,1,12) R07-M1-N01-J20
Task 1853 of 4096 (1,1,2,1,1,13) R07-M1-N01-J20
Task 1854 of 4096 (1,1,2,1,1,14) R07-M1-N01-J20
Task 1855 of 4096 (1,1,2,1,1,15) R07-M1-N01-J20
Task 1856 of 4096 (1,1,2,2,0,0) R07-M1-N03-J19
Task 1857 of 4096 (1,1,2,2,0,1) R07-M1-N03-J19
Task 1858 of 4096 (1,1,2,2,0,2) R07-M1-N03-J19
Task 1859 of 4096 (1,1,2,2,0,3) R07-M1-N03-J19
Task 1860 of 4096 (1,1,2,2,0,4) R07-M1-N03-J19
Task 1861 of 4096 (1,1,2,2,0,5) R07-M1-N03-J19
Task 1862 of 4096 (1,1,2,2,0,6) R07-M1-N03-J19
Task 1863 of 4096 (1,1,2,2,0,7) R07-M1-N03-J19
Task 1864 of 4096 (1,1,2,2,0,8) R07-M1-N03-J19
Task 1865 of 4096 (1,1,2,2,0,9) R07-M1-N03-J19
Task 1866 of 4096 (1,1,2,2,0,10) R07-M1-N03-J19
Task 1867 of 4096 (1,1,2,2,0,11) R07-M1-N03-J19
Task 1868 of 4096 (1,1,2,2,0,12) R07-M1-N03-J19
Task 1869 of 4096 (1,1,2,2,0,13) R07-M1-N03-J19
Task 1870 of 4096 (1,1,2,2,0,14) R07-M1-N03-J19
Task 1871 of 4096 (1,1,2,2,0,15) R07-M1-N03-J19
Task 1872 of 4096 (1,1,2,2,1,0) R07-M1-N03-J20
Task 1873 of 4096 (1,1,2,2,1,1) R07-M1-N03-J20
Task 1874 of 4096 (1,1,2,2,1,2) R07-M1-N03-J20
Task 1875 of 4096 (1,1,2,2,1,3) R07-M1-N03-J20
Task 1876 of 4096 (1,1,2,2,1,4) R07-M1-N03-J20
Task 1877 of 4096 (1,1,2,2,1,5) R07-M1-N03-J20
Task 1878 of 4096 (1,1,2,2,1,6) R07-M1-N03-J20
Task 1879 of 4096 (1,1,2,2,1,7) R07-M1-N03-J20
Task 1880 of 4096 (1,1,2,2,1,8) R07-M1-N03-J20
Task 1881 of 4096 (1,1,2,2,1,9) R07-M1-N03-J20
Task 1882 of 4096 (1,1,2,2,1,10) R07-M1-N03-J20
Task 1883 of 4096 (1,1,2,2,1,11) R07-M1-N03-J20
Task 1884 of 4096 (1,1,2,2,1,12) R07-M1-N03-J20
Task 1885 of 4096 (1,1,2,2,1,13) R07-M1-N03-J20
Task 1886 of 4096 (1,1,2,2,1,14) R07-M1-N03-J20
Task 1887 of 4096 (1,1,2,2,1,15) R07-M1-N03-J20
Task 1888 of 4096 (1,1,2,3,0,0) R07-M1-N03-J31
Task 1889 of 4096 (1,1,2,3,0,1) R07-M1-N03-J31
Task 1890 of 4096 (1,1,2,3,0,2) R07-M1-N03-J31
Task 1891 of 4096 (1,1,2,3,0,3) R07-M1-N03-J31
Task 1892 of 4096 (1,1,2,3,0,4) R07-M1-N03-J31
Task 1893 of 4096 (1,1,2,3,0,5) R07-M1-N03-J31
Task 1894 of 4096 (1,1,2,3,0,6) R07-M1-N03-J31
Task 1895 of 4096 (1,1,2,3,0,7) R07-M1-N03-J31
Task 1896 of 4096 (1,1,2,3,0,8) R07-M1-N03-J31
Task 1897 of 4096 (1,1,2,3,0,9) R07-M1-N03-J31
Task 1898 of 4096 (1,1,2,3,0,10) R07-M1-N03-J31
Task 1899 of 4096 (1,1,2,3,0,11) R07-M1-N03-J31
Task 1900 of 4096 (1,1,2,3,0,12) R07-M1-N03-J31
Task 1901 of 4096 (1,1,2,3,0,13) R07-M1-N03-J31
Task 1902 of 4096 (1,1,2,3,0,14) R07-M1-N03-J31
Task 1903 of 4096 (1,1,2,3,0,15) R07-M1-N03-J31
Task 1904 of 4096 (1,1,2,3,1,0) R07-M1-N03-J24
Task 1905 of 4096 (1,1,2,3,1,1) R07-M1-N03-J24
Task 1906 of 4096 (1,1,2,3,1,2) R07-M1-N03-J24
Task 1907 of 4096 (1,1,2,3,1,3) R07-M1-N03-J24
Task 1908 of 4096 (1,1,2,3,1,4) R07-M1-N03-J24
Task 1909 of 4096 (1,1,2,3,1,5) R07-M1-N03-J24
Task 1910 of 4096 (1,1,2,3,1,6) R07-M1-N03-J24
Task 1911 of 4096 (1,1,2,3,1,7) R07-M1-N03-J24
Task 1912 of 4096 (1,1,2,3,1,8) R07-M1-N03-J24
Task 1913 of 4096 (1,1,2,3,1,9) R07-M1-N03-J24
Task 1914 of 4096 (1,1,2,3,1,10) R07-M1-N03-J24
Task 1915 of 4096 (1,1,2,3,1,11) R07-M1-N03-J24
Task 1916 of 4096 (1,1,2,3,1,12) R07-M1-N03-J24
Task 1917 of 4096 (1,1,2,3,1,13) R07-M1-N03-J24
Task 1918 of 4096 (1,1,2,3,1,14) R07-M1-N03-J24
Task 1919 of 4096 (1,1,2,3,1,15) R07-M1-N03-J24
Task 1920 of 4096 (1,1,3,0,0,0) R07-M1-N01-J30
Task 1921 of 4096 (1,1,3,0,0,1) R07-M1-N01-J30
Task 1922 of 4096 (1,1,3,0,0,2) R07-M1-N01-J30
Task 1923 of 4096 (1,1,3,0,0,3) R07-M1-N01-J30
Task 1924 of 4096 (1,1,3,0,0,4) R07-M1-N01-J30
Task 1925 of 4096 (1,1,3,0,0,5) R07-M1-N01-J30
Task 1926 of 4096 (1,1,3,0,0,6) R07-M1-N01-J30
Task 1927 of 4096 (1,1,3,0,0,7) R07-M1-N01-J30
Task 1928 of 4096 (1,1,3,0,0,8) R07-M1-N01-J30
Task 1929 of 4096 (1,1,3,0,0,9) R07-M1-N01-J30
Task 1930 of 4096 (1,1,3,0,0,10) R07-M1-N01-J30
Task 1931 of 4096 (1,1,3,0,0,11) R07-M1-N01-J30
Task 1932 of 4096 (1,1,3,0,0,12) R07-M1-N01-J30
Task 1933 of 4096 (1,1,3,0,0,13) R07-M1-N01-J30
Task 1934 of 4096 (1,1,3,0,0,14) R07-M1-N01-J30
Task 1935 of 4096 (1,1,3,0,0,15) R07-M1-N01-J30
Task 1936 of 4096 (1,1,3,0,1,0) R07-M1-N01-J25
Task 1937 of 4096 (1,1,3,0,1,1) R07-M1-N01-J25
Task 1938 of 4096 (1,1,3,0,1,2) R07-M1-N01-J25
Task 1939 of 4096 (1,1,3,0,1,3) R07-M1-N01-J25
Task 1940 of 4096 (1,1,3,0,1,4) R07-M1-N01-J25
Task 1941 of 4096 (1,1,3,0,1,5) R07-M1-N01-J25
Task 1942 of 4096 (1,1,3,0,1,6) R07-M1-N01-J25
Task 1943 of 4096 (1,1,3,0,1,7) R07-M1-N01-J25
Task 1944 of 4096 (1,1,3,0,1,8) R07-M1-N01-J25
Task 1945 of 4096 (1,1,3,0,1,9) R07-M1-N01-J25
Task 1946 of 4096 (1,1,3,0,1,10) R07-M1-N01-J25
Task 1947 of 4096 (1,1,3,0,1,11) R07-M1-N01-J25
Task 1948 of 4096 (1,1,3,0,1,12) R07-M1-N01-J25
Task 1949 of 4096 (1,1,3,0,1,13) R07-M1-N01-J25
Task 1950 of 4096 (1,1,3,0,1,14) R07-M1-N01-J25
Task 1951 of 4096 (1,1,3,0,1,15) R07-M1-N01-J25
Task 1952 of 4096 (1,1,3,1,0,0) R07-M1-N01-J18
Task 1953 of 4096 (1,1,3,1,0,1) R07-M1-N01-J18
Task 1954 of 4096 (1,1,3,1,0,2) R07-M1-N01-J18
Task 1955 of 4096 (1,1,3,1,0,3) R07-M1-N01-J18
Task 1956 of 4096 (1,1,3,1,0,4) R07-M1-N01-J18
Task 1957 of 4096 (1,1,3,1,0,5) R07-M1-N01-J18
Task 1958 of 4096 (1,1,3,1,0,6) R07-M1-N01-J18
Task 1959 of 4096 (1,1,3,1,0,7) R07-M1-N01-J18
Task 1960 of 4096 (1,1,3,1,0,8) R07-M1-N01-J18
Task 1961 of 4096 (1,1,3,1,0,9) R07-M1-N01-J18
Task 1962 of 4096 (1,1,3,1,0,10) R07-M1-N01-J18
Task 1963 of 4096 (1,1,3,1,0,11) R07-M1-N01-J18
Task 1964 of 4096 (1,1,3,1,0,12) R07-M1-N01-J18
Task 1965 of 4096 (1,1,3,1,0,13) R07-M1-N01-J18
Task 1966 of 4096 (1,1,3,1,0,14) R07-M1-N01-J18
Task 1967 of 4096 (1,1,3,1,0,15) R07-M1-N01-J18
Task 1968 of 4096 (1,1,3,1,1,0) R07-M1-N01-J21
Task 1969 of 4096 (1,1,3,1,1,1) R07-M1-N01-J21
Task 1970 of 4096 (1,1,3,1,1,2) R07-M1-N01-J21
Task 1971 of 4096 (1,1,3,1,1,3) R07-M1-N01-J21
Task 1972 of 4096 (1,1,3,1,1,4) R07-M1-N01-J21
Task 1973 of 4096 (1,1,3,1,1,5) R07-M1-N01-J21
Task 1974 of 4096 (1,1,3,1,1,6) R07-M1-N01-J21
Task 1975 of 4096 (1,1,3,1,1,7) R07-M1-N01-J21
Task 1976 of 4096 (1,1,3,1,1,8) R07-M1-N01-J21
Task 1977 of 4096 (1,1,3,1,1,9) R07-M1-N01-J21
Task 1978 of 4096 (1,1,3,1,1,10) R07-M1-N01-J21
Task 1979 of 4096 (1,1,3,1,1,11) R07-M1-N01-J21
Task 1980 of 4096 (1,1,3,1,1,12) R07-M1-N01-J21
Task 1981 of 4096 (1,1,3,1,1,13) R07-M1-N01-J21
Task 1982 of 4096 (1,1,3,1,1,14) R07-M1-N01-J21
Task 1983 of 4096 (1,1,3,1,1,15) R07-M1-N01-J21
Task 1984 of 4096 (1,1,3,2,0,0) R07-M1-N03-J18
Task 1985 of 4096 (1,1,3,2,0,1) R07-M1-N03-J18
Task 1986 of 4096 (1,1,3,2,0,2) R07-M1-N03-J18
Task 1987 of 4096 (1,1,3,2,0,3) R07-M1-N03-J18
Task 1988 of 4096 (1,1,3,2,0,4) R07-M1-N03-J18
Task 1989 of 4096 (1,1,3,2,0,5) R07-M1-N03-J18
Task 1990 of 4096 (1,1,3,2,0,6) R07-M1-N03-J18
Task 1991 of 4096 (1,1,3,2,0,7) R07-M1-N03-J18
Task 1992 of 4096 (1,1,3,2,0,8) R07-M1-N03-J18
Task 1993 of 4096 (1,1,3,2,0,9) R07-M1-N03-J18
Task 1994 of 4096 (1,1,3,2,0,10) R07-M1-N03-J18
Task 1995 of 4096 (1,1,3,2,0,11) R07-M1-N03-J18
Task 1996 of 4096 (1,1,3,2,0,12) R07-M1-N03-J18
Task 1997 of 4096 (1,1,3,2,0,13) R07-M1-N03-J18
Task 1998 of 4096 (1,1,3,2,0,14) R07-M1-N03-J18
Task 1999 of 4096 (1,1,3,2,0,15) R07-M1-N03-J18
Task 2000 of 4096 (1,1,3,2,1,0) R07-M1-N03-J21
Task 2001 of 4096 (1,1,3,2,1,1) R07-M1-N03-J21
Task 2002 of 4096 (1,1,3,2,1,2) R07-M1-N03-J21
Task 2003 of 4096 (1,1,3,2,1,3) R07-M1-N03-J21
Task 2004 of 4096 (1,1,3,2,1,4) R07-M1-N03-J21
Task 2005 of 4096 (1,1,3,2,1,5) R07-M1-N03-J21
Task 2006 of 4096 (1,1,3,2,1,6) R07-M1-N03-J21
Task 2007 of 4096 (1,1,3,2,1,7) R07-M1-N03-J21
Task 2008 of 4096 (1,1,3,2,1,8) R07-M1-N03-J21
Task 2009 of 4096 (1,1,3,2,1,9) R07-M1-N03-J21
Task 2010 of 4096 (1,1,3,2,1,10) R07-M1-N03-J21
Task 2011 of 4096 (1,1,3,2,1,11) R07-M1-N03-J21
Task 2012 of 4096 (1,1,3,2,1,12) R07-M1-N03-J21
Task 2013 of 4096 (1,1,3,2,1,13) R07-M1-N03-J21
Task 2014 of 4096 (1,1,3,2,1,14) R07-M1-N03-J21
Task 2015 of 4096 (1,1,3,2,1,15) R07-M1-N03-J21
Task 2016 of 4096 (1,1,3,3,0,0) R07-M1-N03-J30
Task 2017 of 4096 (1,1,3,3,0,1) R07-M1-N03-J30
Task 2018 of 4096 (1,1,3,3,0,2) R07-M1-N03-J30
Task 2019 of 4096 (1,1,3,3,0,3) R07-M1-N03-J30
Task 2020 of 4096 (1,1,3,3,0,4) R07-M1-N03-J30
Task 2021 of 4096 (1,1,3,3,0,5) R07-M1-N03-J30
Task 2022 of 4096 (1,1,3,3,0,6) R07-M1-N03-J30
Task 2023 of 4096 (1,1,3,3,0,7) R07-M1-N03-J30
Task 2024 of 4096 (1,1,3,3,0,8) R07-M1-N03-J30
Task 2025 of 4096 (1,1,3,3,0,9) R07-M1-N03-J30
Task 2026 of 4096 (1,1,3,3,0,10) R07-M1-N03-J30
Task 2027 of 4096 (1,1,3,3,0,11) R07-M1-N03-J30
Task 2028 of 4096 (1,1,3,3,0,12) R07-M1-N03-J30
Task 2029 of 4096 (1,1,3,3,0,13) R07-M1-N03-J30
Task 2030 of 4096 (1,1,3,3,0,14) R07-M1-N03-J30
Task 2031 of 4096 (1,1,3,3,0,15) R07-M1-N03-J30
Task 2032 of 4096 (1,1,3,3,1,0) R07-M1-N03-J25
Task 2033 of 4096 (1,1,3,3,1,1) R07-M1-N03-J25
Task 2034 of 4096 (1,1,3,3,1,2) R07-M1-N03-J25
Task 2035 of 4096 (1,1,3,3,1,3) R07-M1-N03-J25
Task 2036 of 4096 (1,1,3,3,1,4) R07-M1-N03-J25
Task 2037 of 4096 (1,1,3,3,1,5) R07-M1-N03-J25
Task 2038 of 4096 (1,1,3,3,1,6) R07-M1-N03-J25
Task 2039 of 4096 (1,1,3,3,1,7) R07-M1-N03-J25
Task 2040 of 4096 (1,1,3,3,1,8) R07-M1-N03-J25
Task 2041 of 4096 (1,1,3,3,1,9) R07-M1-N03-J25
Task 2042 of 4096 (1,1,3,3,1,10) R07-M1-N03-J25
Task 2043 of 4096 (1,1,3,3,1,11) R07-M1-N03-J25
Task 2044 of 4096 (1,1,3,3,1,12) R07-M1-N03-J25
Task 2045 of 4096 (1,1,3,3,1,13) R07-M1-N03-J25
Task 2046 of 4096 (1,1,3,3,1,14) R07-M1-N03-J25
Task 2047 of 4096 (1,1,3,3,1,15) R07-M1-N03-J25
Task 2048 of 4096 (2,0,0,0,0,0) R07-M1-N04-J29
Task 2049 of 4096 (2,0,0,0,0,1) R07-M1-N04-J29
Task 2050 of 4096 (2,0,0,0,0,2) R07-M1-N04-J29
Task 2051 of 4096 (2,0,0,0,0,3) R07-M1-N04-J29
Task 2052 of 4096 (2,0,0,0,0,4) R07-M1-N04-J29
Task 2053 of 4096 (2,0,0,0,0,5) R07-M1-N04-J29
Task 2054 of 4096 (2,0,0,0,0,6) R07-M1-N04-J29
Task 2055 of 4096 (2,0,0,0,0,7) R07-M1-N04-J29
Task 2056 of 4096 (2,0,0,0,0,8) R07-M1-N04-J29
Task 2057 of 4096 (2,0,0,0,0,9) R07-M1-N04-J29
Task 2058 of 4096 (2,0,0,0,0,10) R07-M1-N04-J29
Task 2059 of 4096 (2,0,0,0,0,11) R07-M1-N04-J29
Task 2060 of 4096 (2,0,0,0,0,12) R07-M1-N04-J29
Task 2061 of 4096 (2,0,0,0,0,13) R07-M1-N04-J29
Task 2062 of 4096 (2,0,0,0,0,14) R07-M1-N04-J29
Task 2063 of 4096 (2,0,0,0,0,15) R07-M1-N04-J29
Task 2064 of 4096 (2,0,0,0,1,0) R07-M1-N04-J26
Task 2065 of 4096 (2,0,0,0,1,1) R07-M1-N04-J26
Task 2066 of 4096 (2,0,0,0,1,2) R07-M1-N04-J26
Task 2067 of 4096 (2,0,0,0,1,3) R07-M1-N04-J26
Task 2068 of 4096 (2,0,0,0,1,4) R07-M1-N04-J26
Task 2069 of 4096 (2,0,0,0,1,5) R07-M1-N04-J26
Task 2070 of 4096 (2,0,0,0,1,6) R07-M1-N04-J26
Task 2071 of 4096 (2,0,0,0,1,7) R07-M1-N04-J26
Task 2072 of 4096 (2,0,0,0,1,8) R07-M1-N04-J26
Task 2073 of 4096 (2,0,0,0,1,9) R07-M1-N04-J26
Task 2074 of 4096 (2,0,0,0,1,10) R07-M1-N04-J26
Task 2075 of 4096 (2,0,0,0,1,11) R07-M1-N04-J26
Task 2076 of 4096 (2,0,0,0,1,12) R07-M1-N04-J26
Task 2077 of 4096 (2,0,0,0,1,13) R07-M1-N04-J26
Task 2078 of 4096 (2,0,0,0,1,14) R07-M1-N04-J26
Task 2079 of 4096 (2,0,0,0,1,15) R07-M1-N04-J26
Task 2080 of 4096 (2,0,0,1,0,0) R07-M1-N04-J17
Task 2081 of 4096 (2,0,0,1,0,1) R07-M1-N04-J17
Task 2082 of 4096 (2,0,0,1,0,2) R07-M1-N04-J17
Task 2083 of 4096 (2,0,0,1,0,3) R07-M1-N04-J17
Task 2084 of 4096 (2,0,0,1,0,4) R07-M1-N04-J17
Task 2085 of 4096 (2,0,0,1,0,5) R07-M1-N04-J17
Task 2086 of 4096 (2,0,0,1,0,6) R07-M1-N04-J17
Task 2087 of 4096 (2,0,0,1,0,7) R07-M1-N04-J17
Task 2088 of 4096 (2,0,0,1,0,8) R07-M1-N04-J17
Task 2089 of 4096 (2,0,0,1,0,9) R07-M1-N04-J17
Task 2090 of 4096 (2,0,0,1,0,10) R07-M1-N04-J17
Task 2091 of 4096 (2,0,0,1,0,11) R07-M1-N04-J17
Task 2092 of 4096 (2,0,0,1,0,12) R07-M1-N04-J17
Task 2093 of 4096 (2,0,0,1,0,13) R07-M1-N04-J17
Task 2094 of 4096 (2,0,0,1,0,14) R07-M1-N04-J17
Task 2095 of 4096 (2,0,0,1,0,15) R07-M1-N04-J17
Task 2096 of 4096 (2,0,0,1,1,0) R07-M1-N04-J22
Task 2097 of 4096 (2,0,0,1,1,1) R07-M1-N04-J22
Task 2098 of 4096 (2,0,0,1,1,2) R07-M1-N04-J22
Task 2099 of 4096 (2,0,0,1,1,3) R07-M1-N04-J22
Task 2100 of 4096 (2,0,0,1,1,4) R07-M1-N04-J22
Task 2101 of 4096 (2,0,0,1,1,5) R07-M1-N04-J22
Task 2102 of 4096 (2,0,0,1,1,6) R07-M1-N04-J22
Task 2103 of 4096 (2,0,0,1,1,7) R07-M1-N04-J22
Task 2104 of 4096 (2,0,0,1,1,8) R07-M1-N04-J22
Task 2105 of 4096 (2,0,0,1,1,9) R07-M1-N04-J22
Task 2106 of 4096 (2,0,0,1,1,10) R07-M1-N04-J22
Task 2107 of 4096 (2,0,0,1,1,11) R07-M1-N04-J22
Task 2108 of 4096 (2,0,0,1,1,12) R07-M1-N04-J22
Task 2109 of 4096 (2,0,0,1,1,13) R07-M1-N04-J22
Task 2110 of 4096 (2,0,0,1,1,14) R07-M1-N04-J22
Task 2111 of 4096 (2,0,0,1,1,15) R07-M1-N04-J22
Task 2112 of 4096 (2,0,0,2,0,0) R07-M1-N06-J17
Task 2113 of 4096 (2,0,0,2,0,1) R07-M1-N06-J17
Task 2114 of 4096 (2,0,0,2,0,2) R07-M1-N06-J17
Task 2115 of 4096 (2,0,0,2,0,3) R07-M1-N06-J17
Task 2116 of 4096 (2,0,0,2,0,4) R07-M1-N06-J17
Task 2117 of 4096 (2,0,0,2,0,5) R07-M1-N06-J17
Task 2118 of 4096 (2,0,0,2,0,6) R07-M1-N06-J17
Task 2119 of 4096 (2,0,0,2,0,7) R07-M1-N06-J17
Task 2120 of 4096 (2,0,0,2,0,8) R07-M1-N06-J17
Task 2121 of 4096 (2,0,0,2,0,9) R07-M1-N06-J17
Task 2122 of 4096 (2,0,0,2,0,10) R07-M1-N06-J17
Task 2123 of 4096 (2,0,0,2,0,11) R07-M1-N06-J17
Task 2124 of 4096 (2,0,0,2,0,12) R07-M1-N06-J17
Task 2125 of 4096 (2,0,0,2,0,13) R07-M1-N06-J17
Task 2126 of 4096 (2,0,0,2,0,14) R07-M1-N06-J17
Task 2127 of 4096 (2,0,0,2,0,15) R07-M1-N06-J17
Task 2128 of 4096 (2,0,0,2,1,0) R07-M1-N06-J22
Task 2129 of 4096 (2,0,0,2,1,1) R07-M1-N06-J22
Task 2130 of 4096 (2,0,0,2,1,2) R07-M1-N06-J22
Task 2131 of 4096 (2,0,0,2,1,3) R07-M1-N06-J22
Task 2132 of 4096 (2,0,0,2,1,4) R07-M1-N06-J22
Task 2133 of 4096 (2,0,0,2,1,5) R07-M1-N06-J22
Task 2134 of 4096 (2,0,0,2,1,6) R07-M1-N06-J22
Task 2135 of 4096 (2,0,0,2,1,7) R07-M1-N06-J22
Task 2136 of 4096 (2,0,0,2,1,8) R07-M1-N06-J22
Task 2137 of 4096 (2,0,0,2,1,9) R07-M1-N06-J22
Task 2138 of 4096 (2,0,0,2,1,10) R07-M1-N06-J22
Task 2139 of 4096 (2,0,0,2,1,11) R07-M1-N06-J22
Task 2140 of 4096 (2,0,0,2,1,12) R07-M1-N06-J22
Task 2141 of 4096 (2,0,0,2,1,13) R07-M1-N06-J22
Task 2142 of 4096 (2,0,0,2,1,14) R07-M1-N06-J22
Task 2143 of 4096 (2,0,0,2,1,15) R07-M1-N06-J22
Task 2144 of 4096 (2,0,0,3,0,0) R07-M1-N06-J29
Task 2145 of 4096 (2,0,0,3,0,1) R07-M1-N06-J29
Task 2146 of 4096 (2,0,0,3,0,2) R07-M1-N06-J29
Task 2147 of 4096 (2,0,0,3,0,3) R07-M1-N06-J29
Task 2148 of 4096 (2,0,0,3,0,4) R07-M1-N06-J29
Task 2149 of 4096 (2,0,0,3,0,5) R07-M1-N06-J29
Task 2150 of 4096 (2,0,0,3,0,6) R07-M1-N06-J29
Task 2151 of 4096 (2,0,0,3,0,7) R07-M1-N06-J29
Task 2152 of 4096 (2,0,0,3,0,8) R07-M1-N06-J29
Task 2153 of 4096 (2,0,0,3,0,9) R07-M1-N06-J29
Task 2154 of 4096 (2,0,0,3,0,10) R07-M1-N06-J29
Task 2155 of 4096 (2,0,0,3,0,11) R07-M1-N06-J29
Task 2156 of 4096 (2,0,0,3,0,12) R07-M1-N06-J29
Task 2157 of 4096 (2,0,0,3,0,13) R07-M1-N06-J29
Task 2158 of 4096 (2,0,0,3,0,14) R07-M1-N06-J29
Task 2159 of 4096 (2,0,0,3,0,15) R07-M1-N06-J29
Task 2160 of 4096 (2,0,0,3,1,0) R07-M1-N06-J26
Task 2161 of 4096 (2,0,0,3,1,1) R07-M1-N06-J26
Task 2162 of 4096 (2,0,0,3,1,2) R07-M1-N06-J26
Task 2163 of 4096 (2,0,0,3,1,3) R07-M1-N06-J26
Task 2164 of 4096 (2,0,0,3,1,4) R07-M1-N06-J26
Task 2165 of 4096 (2,0,0,3,1,5) R07-M1-N06-J26
Task 2166 of 4096 (2,0,0,3,1,6) R07-M1-N06-J26
Task 2167 of 4096 (2,0,0,3,1,7) R07-M1-N06-J26
Task 2168 of 4096 (2,0,0,3,1,8) R07-M1-N06-J26
Task 2169 of 4096 (2,0,0,3,1,9) R07-M1-N06-J26
Task 2170 of 4096 (2,0,0,3,1,10) R07-M1-N06-J26
Task 2171 of 4096 (2,0,0,3,1,11) R07-M1-N06-J26
Task 2172 of 4096 (2,0,0,3,1,12) R07-M1-N06-J26
Task 2173 of 4096 (2,0,0,3,1,13) R07-M1-N06-J26
Task 2174 of 4096 (2,0,0,3,1,14) R07-M1-N06-J26
Task 2175 of 4096 (2,0,0,3,1,15) R07-M1-N06-J26
Task 2176 of 4096 (2,0,1,0,0,0) R07-M1-N04-J28
Task 2177 of 4096 (2,0,1,0,0,1) R07-M1-N04-J28
Task 2178 of 4096 (2,0,1,0,0,2) R07-M1-N04-J28
Task 2179 of 4096 (2,0,1,0,0,3) R07-M1-N04-J28
Task 2180 of 4096 (2,0,1,0,0,4) R07-M1-N04-J28
Task 2181 of 4096 (2,0,1,0,0,5) R07-M1-N04-J28
Task 2182 of 4096 (2,0,1,0,0,6) R07-M1-N04-J28
Task 2183 of 4096 (2,0,1,0,0,7) R07-M1-N04-J28
Task 2184 of 4096 (2,0,1,0,0,8) R07-M1-N04-J28
Task 2185 of 4096 (2,0,1,0,0,9) R07-M1-N04-J28
Task 2186 of 4096 (2,0,1,0,0,10) R07-M1-N04-J28
Task 2187 of 4096 (2,0,1,0,0,11) R07-M1-N04-J28
Task 2188 of 4096 (2,0,1,0,0,12) R07-M1-N04-J28
Task 2189 of 4096 (2,0,1,0,0,13) R07-M1-N04-J28
Task 2190 of 4096 (2,0,1,0,0,14) R07-M1-N04-J28
Task 2191 of 4096 (2,0,1,0,0,15) R07-M1-N04-J28
Task 2192 of 4096 (2,0,1,0,1,0) R07-M1-N04-J27
Task 2193 of 4096 (2,0,1,0,1,1) R07-M1-N04-J27
Task 2194 of 4096 (2,0,1,0,1,2) R07-M1-N04-J27
Task 2195 of 4096 (2,0,1,0,1,3) R07-M1-N04-J27
Task 2196 of 4096 (2,0,1,0,1,4) R07-M1-N04-J27
Task 2197 of 4096 (2,0,1,0,1,5) R07-M1-N04-J27
Task 2198 of 4096 (2,0,1,0,1,6) R07-M1-N04-J27
Task 2199 of 4096 (2,0,1,0,1,7) R07-M1-N04-J27
Task 2200 of 4096 (2,0,1,0,1,8) R07-M1-N04-J27
Task 2201 of 4096 (2,0,1,0,1,9) R07-M1-N04-J27
Task 2202 of 4096 (2,0,1,0,1,10) R07-M1-N04-J27
Task 2203 of 4096 (2,0,1,0,1,11) R07-M1-N04-J27
Task 2204 of 4096 (2,0,1,0,1,12) R07-M1-N04-J27
Task 2205 of 4096 (2,0,1,0,1,13) R07-M1-N04-J27
Task 2206 of 4096 (2,0,1,0,1,14) R07-M1-N04-J27
Task 2207 of 4096 (2,0,1,0,1,15) R07-M1-N04-J27
Task 2208 of 4096 (2,0,1,1,0,0) R07-M1-N04-J16
Task 2209 of 4096 (2,0,1,1,0,1) R07-M1-N04-J16
Task 2210 of 4096 (2,0,1,1,0,2) R07-M1-N04-J16
Task 2211 of 4096 (2,0,1,1,0,3) R07-M1-N04-J16
Task 2212 of 4096 (2,0,1,1,0,4) R07-M1-N04-J16
Task 2213 of 4096 (2,0,1,1,0,5) R07-M1-N04-J16
Task 2214 of 4096 (2,0,1,1,0,6) R07-M1-N04-J16
Task 2215 of 4096 (2,0,1,1,0,7) R07-M1-N04-J16
Task 2216 of 4096 (2,0,1,1,0,8) R07-M1-N04-J16
Task 2217 of 4096 (2,0,1,1,0,9) R07-M1-N04-J16
Task 2218 of 4096 (2,0,1,1,0,10) R07-M1-N04-J16
Task 2219 of 4096 (2,0,1,1,0,11) R07-M1-N04-J16
Task 2220 of 4096 (2,0,1,1,0,12) R07-M1-N04-J16
Task 2221 of 4096 (2,0,1,1,0,13) R07-M1-N04-J16
Task 2222 of 4096 (2,0,1,1,0,14) R07-M1-N04-J16
Task 2223 of 4096 (2,0,1,1,0,15) R07-M1-N04-J16
Task 2224 of 4096 (2,0,1,1,1,0) R07-M1-N04-J23
Task 2225 of 4096 (2,0,1,1,1,1) R07-M1-N04-J23
Task 2226 of 4096 (2,0,1,1,1,2) R07-M1-N04-J23
Task 2227 of 4096 (2,0,1,1,1,3) R07-M1-N04-J23
Task 2228 of 4096 (2,0,1,1,1,4) R07-M1-N04-J23
Task 2229 of 4096 (2,0,1,1,1,5) R07-M1-N04-J23
Task 2230 of 4096 (2,0,1,1,1,6) R07-M1-N04-J23
Task 2231 of 4096 (2,0,1,1,1,7) R07-M1-N04-J23
Task 2232 of 4096 (2,0,1,1,1,8) R07-M1-N04-J23
Task 2233 of 4096 (2,0,1,1,1,9) R07-M1-N04-J23
Task 2234 of 4096 (2,0,1,1,1,10) R07-M1-N04-J23
Task 2235 of 4096 (2,0,1,1,1,11) R07-M1-N04-J23
Task 2236 of 4096 (2,0,1,1,1,12) R07-M1-N04-J23
Task 2237 of 4096 (2,0,1,1,1,13) R07-M1-N04-J23
Task 2238 of 4096 (2,0,1,1,1,14) R07-M1-N04-J23
Task 2239 of 4096 (2,0,1,1,1,15) R07-M1-N04-J23
Task 2240 of 4096 (2,0,1,2,0,0) R07-M1-N06-J16
Task 2241 of 4096 (2,0,1,2,0,1) R07-M1-N06-J16
Task 2242 of 4096 (2,0,1,2,0,2) R07-M1-N06-J16
Task 2243 of 4096 (2,0,1,2,0,3) R07-M1-N06-J16
Task 2244 of 4096 (2,0,1,2,0,4) R07-M1-N06-J16
Task 2245 of 4096 (2,0,1,2,0,5) R07-M1-N06-J16
Task 2246 of 4096 (2,0,1,2,0,6) R07-M1-N06-J16
Task 2247 of 4096 (2,0,1,2,0,7) R07-M1-N06-J16
Task 2248 of 4096 (2,0,1,2,0,8) R07-M1-N06-J16
Task 2249 of 4096 (2,0,1,2,0,9) R07-M1-N06-J16
Task 2250 of 4096 (2,0,1,2,0,10) R07-M1-N06-J16
Task 2251 of 4096 (2,0,1,2,0,11) R07-M1-N06-J16
Task 2252 of 4096 (2,0,1,2,0,12) R07-M1-N06-J16
Task 2253 of 4096 (2,0,1,2,0,13) R07-M1-N06-J16
Task 2254 of 4096 (2,0,1,2,0,14) R07-M1-N06-J16
Task 2255 of 4096 (2,0,1,2,0,15) R07-M1-N06-J16
Task 2256 of 4096 (2,0,1,2,1,0) R07-M1-N06-J23
Task 2257 of 4096 (2,0,1,2,1,1) R07-M1-N06-J23
Task 2258 of 4096 (2,0,1,2,1,2) R07-M1-N06-J23
Task 2259 of 4096 (2,0,1,2,1,3) R07-M1-N06-J23
Task 2260 of 4096 (2,0,1,2,1,4) R07-M1-N06-J23
Task 2261 of 4096 (2,0,1,2,1,5) R07-M1-N06-J23
Task 2262 of 4096 (2,0,1,2,1,6) R07-M1-N06-J23
Task 2263 of 4096 (2,0,1,2,1,7) R07-M1-N06-J23
Task 2264 of 4096 (2,0,1,2,1,8) R07-M1-N06-J23
Task 2265 of 4096 (2,0,1,2,1,9) R07-M1-N06-J23
Task 2266 of 4096 (2,0,1,2,1,10) R07-M1-N06-J23
Task 2267 of 4096 (2,0,1,2,1,11) R07-M1-N06-J23
Task 2268 of 4096 (2,0,1,2,1,12) R07-M1-N06-J23
Task 2269 of 4096 (2,0,1,2,1,13) R07-M1-N06-J23
Task 2270 of 4096 (2,0,1,2,1,14) R07-M1-N06-J23
Task 2271 of 4096 (2,0,1,2,1,15) R07-M1-N06-J23
Task 2272 of 4096 (2,0,1,3,0,0) R07-M1-N06-J28
Task 2273 of 4096 (2,0,1,3,0,1) R07-M1-N06-J28
Task 2274 of 4096 (2,0,1,3,0,2) R07-M1-N06-J28
Task 2275 of 4096 (2,0,1,3,0,3) R07-M1-N06-J28
Task 2276 of 4096 (2,0,1,3,0,4) R07-M1-N06-J28
Task 2277 of 4096 (2,0,1,3,0,5) R07-M1-N06-J28
Task 2278 of 4096 (2,0,1,3,0,6) R07-M1-N06-J28
Task 2279 of 4096 (2,0,1,3,0,7) R07-M1-N06-J28
Task 2280 of 4096 (2,0,1,3,0,8) R07-M1-N06-J28
Task 2281 of 4096 (2,0,1,3,0,9) R07-M1-N06-J28
Task 2282 of 4096 (2,0,1,3,0,10) R07-M1-N06-J28
Task 2283 of 4096 (2,0,1,3,0,11) R07-M1-N06-J28
Task 2284 of 4096 (2,0,1,3,0,12) R07-M1-N06-J28
Task 2285 of 4096 (2,0,1,3,0,13) R07-M1-N06-J28
Task 2286 of 4096 (2,0,1,3,0,14) R07-M1-N06-J28
Task 2287 of 4096 (2,0,1,3,0,15) R07-M1-N06-J28
Task 2288 of 4096 (2,0,1,3,1,0) R07-M1-N06-J27
Task 2289 of 4096 (2,0,1,3,1,1) R07-M1-N06-J27
Task 2290 of 4096 (2,0,1,3,1,2) R07-M1-N06-J27
Task 2291 of 4096 (2,0,1,3,1,3) R07-M1-N06-J27
Task 2292 of 4096 (2,0,1,3,1,4) R07-M1-N06-J27
Task 2293 of 4096 (2,0,1,3,1,5) R07-M1-N06-J27
Task 2294 of 4096 (2,0,1,3,1,6) R07-M1-N06-J27
Task 2295 of 4096 (2,0,1,3,1,7) R07-M1-N06-J27
Task 2296 of 4096 (2,0,1,3,1,8) R07-M1-N06-J27
Task 2297 of 4096 (2,0,1,3,1,9) R07-M1-N06-J27
Task 2298 of 4096 (2,0,1,3,1,10) R07-M1-N06-J27
Task 2299 of 4096 (2,0,1,3,1,11) R07-M1-N06-J27
Task 2300 of 4096 (2,0,1,3,1,12) R07-M1-N06-J27
Task 2301 of 4096 (2,0,1,3,1,13) R07-M1-N06-J27
Task 2302 of 4096 (2,0,1,3,1,14) R07-M1-N06-J27
Task 2303 of 4096 (2,0,1,3,1,15) R07-M1-N06-J27
Task 2304 of 4096 (2,0,2,0,0,0) R07-M1-N05-J28
Task 2305 of 4096 (2,0,2,0,0,1) R07-M1-N05-J28
Task 2306 of 4096 (2,0,2,0,0,2) R07-M1-N05-J28
Task 2307 of 4096 (2,0,2,0,0,3) R07-M1-N05-J28
Task 2308 of 4096 (2,0,2,0,0,4) R07-M1-N05-J28
Task 2309 of 4096 (2,0,2,0,0,5) R07-M1-N05-J28
Task 2310 of 4096 (2,0,2,0,0,6) R07-M1-N05-J28
Task 2311 of 4096 (2,0,2,0,0,7) R07-M1-N05-J28
Task 2312 of 4096 (2,0,2,0,0,8) R07-M1-N05-J28
Task 2313 of 4096 (2,0,2,0,0,9) R07-M1-N05-J28
Task 2314 of 4096 (2,0,2,0,0,10) R07-M1-N05-J28
Task 2315 of 4096 (2,0,2,0,0,11) R07-M1-N05-J28
Task 2316 of 4096 (2,0,2,0,0,12) R07-M1-N05-J28
Task 2317 of 4096 (2,0,2,0,0,13) R07-M1-N05-J28
Task 2318 of 4096 (2,0,2,0,0,14) R07-M1-N05-J28
Task 2319 of 4096 (2,0,2,0,0,15) R07-M1-N05-J28
Task 2320 of 4096 (2,0,2,0,1,0) R07-M1-N05-J27
Task 2321 of 4096 (2,0,2,0,1,1) R07-M1-N05-J27
Task 2322 of 4096 (2,0,2,0,1,2) R07-M1-N05-J27
Task 2323 of 4096 (2,0,2,0,1,3) R07-M1-N05-J27
Task 2324 of 4096 (2,0,2,0,1,4) R07-M1-N05-J27
Task 2325 of 4096 (2,0,2,0,1,5) R07-M1-N05-J27
Task 2326 of 4096 (2,0,2,0,1,6) R07-M1-N05-J27
Task 2327 of 4096 (2,0,2,0,1,7) R07-M1-N05-J27
Task 2328 of 4096 (2,0,2,0,1,8) R07-M1-N05-J27
Task 2329 of 4096 (2,0,2,0,1,9) R07-M1-N05-J27
Task 2330 of 4096 (2,0,2,0,1,10) R07-M1-N05-J27
Task 2331 of 4096 (2,0,2,0,1,11) R07-M1-N05-J27
Task 2332 of 4096 (2,0,2,0,1,12) R07-M1-N05-J27
Task 2333 of 4096 (2,0,2,0,1,13) R07-M1-N05-J27
Task 2334 of 4096 (2,0,2,0,1,14) R07-M1-N05-J27
Task 2335 of 4096 (2,0,2,0,1,15) R07-M1-N05-J27
Task 2336 of 4096 (2,0,2,1,0,0) R07-M1-N05-J16
Task 2337 of 4096 (2,0,2,1,0,1) R07-M1-N05-J16
Task 2338 of 4096 (2,0,2,1,0,2) R07-M1-N05-J16
Task 2339 of 4096 (2,0,2,1,0,3) R07-M1-N05-J16
Task 2340 of 4096 (2,0,2,1,0,4) R07-M1-N05-J16
Task 2341 of 4096 (2,0,2,1,0,5) R07-M1-N05-J16
Task 2342 of 4096 (2,0,2,1,0,6) R07-M1-N05-J16
Task 2343 of 4096 (2,0,2,1,0,7) R07-M1-N05-J16
Task 2344 of 4096 (2,0,2,1,0,8) R07-M1-N05-J16
Task 2345 of 4096 (2,0,2,1,0,9) R07-M1-N05-J16
Task 2346 of 4096 (2,0,2,1,0,10) R07-M1-N05-J16
Task 2347 of 4096 (2,0,2,1,0,11) R07-M1-N05-J16
Task 2348 of 4096 (2,0,2,1,0,12) R07-M1-N05-J16
Task 2349 of 4096 (2,0,2,1,0,13) R07-M1-N05-J16
Task 2350 of 4096 (2,0,2,1,0,14) R07-M1-N05-J16
Task 2351 of 4096 (2,0,2,1,0,15) R07-M1-N05-J16
Task 2352 of 4096 (2,0,2,1,1,0) R07-M1-N05-J23
Task 2353 of 4096 (2,0,2,1,1,1) R07-M1-N05-J23
Task 2354 of 4096 (2,0,2,1,1,2) R07-M1-N05-J23
Task 2355 of 4096 (2,0,2,1,1,3) R07-M1-N05-J23
Task 2356 of 4096 (2,0,2,1,1,4) R07-M1-N05-J23
Task 2357 of 4096 (2,0,2,1,1,5) R07-M1-N05-J23
Task 2358 of 4096 (2,0,2,1,1,6) R07-M1-N05-J23
Task 2359 of 4096 (2,0,2,1,1,7) R07-M1-N05-J23
Task 2360 of 4096 (2,0,2,1,1,8) R07-M1-N05-J23
Task 2361 of 4096 (2,0,2,1,1,9) R07-M1-N05-J23
Task 2362 of 4096 (2,0,2,1,1,10) R07-M1-N05-J23
Task 2363 of 4096 (2,0,2,1,1,11) R07-M1-N05-J23
Task 2364 of 4096 (2,0,2,1,1,12) R07-M1-N05-J23
Task 2365 of 4096 (2,0,2,1,1,13) R07-M1-N05-J23
Task 2366 of 4096 (2,0,2,1,1,14) R07-M1-N05-J23
Task 2367 of 4096 (2,0,2,1,1,15) R07-M1-N05-J23
Task 2368 of 4096 (2,0,2,2,0,0) R07-M1-N07-J16
Task 2369 of 4096 (2,0,2,2,0,1) R07-M1-N07-J16
Task 2370 of 4096 (2,0,2,2,0,2) R07-M1-N07-J16
Task 2371 of 4096 (2,0,2,2,0,3) R07-M1-N07-J16
Task 2372 of 4096 (2,0,2,2,0,4) R07-M1-N07-J16
Task 2373 of 4096 (2,0,2,2,0,5) R07-M1-N07-J16
Task 2374 of 4096 (2,0,2,2,0,6) R07-M1-N07-J16
Task 2375 of 4096 (2,0,2,2,0,7) R07-M1-N07-J16
Task 2376 of 4096 (2,0,2,2,0,8) R07-M1-N07-J16
Task 2377 of 4096 (2,0,2,2,0,9) R07-M1-N07-J16
Task 2378 of 4096 (2,0,2,2,0,10) R07-M1-N07-J16
Task 2379 of 4096 (2,0,2,2,0,11) R07-M1-N07-J16
Task 2380 of 4096 (2,0,2,2,0,12) R07-M1-N07-J16
Task 2381 of 4096 (2,0,2,2,0,13) R07-M1-N07-J16
Task 2382 of 4096 (2,0,2,2,0,14) R07-M1-N07-J16
Task 2383 of 4096 (2,0,2,2,0,15) R07-M1-N07-J16
Task 2384 of 4096 (2,0,2,2,1,0) R07-M1-N07-J23
Task 2385 of 4096 (2,0,2,2,1,1) R07-M1-N07-J23
Task 2386 of 4096 (2,0,2,2,1,2) R07-M1-N07-J23
Task 2387 of 4096 (2,0,2,2,1,3) R07-M1-N07-J23
Task 2388 of 4096 (2,0,2,2,1,4) R07-M1-N07-J23
Task 2389 of 4096 (2,0,2,2,1,5) R07-M1-N07-J23
Task 2390 of 4096 (2,0,2,2,1,6) R07-M1-N07-J23
Task 2391 of 4096 (2,0,2,2,1,7) R07-M1-N07-J23
Task 2392 of 4096 (2,0,2,2,1,8) R07-M1-N07-J23
Task 2393 of 4096 (2,0,2,2,1,9) R07-M1-N07-J23
Task 2394 of 4096 (2,0,2,2,1,10) R07-M1-N07-J23
Task 2395 of 4096 (2,0,2,2,1,11) R07-M1-N07-J23
Task 2396 of 4096 (2,0,2,2,1,12) R07-M1-N07-J23
Task 2397 of 4096 (2,0,2,2,1,13) R07-M1-N07-J23
Task 2398 of 4096 (2,0,2,2,1,14) R07-M1-N07-J23
Task 2399 of 4096 (2,0,2,2,1,15) R07-M1-N07-J23
Task 2400 of 4096 (2,0,2,3,0,0) R07-M1-N07-J28
Task 2401 of 4096 (2,0,2,3,0,1) R07-M1-N07-J28
Task 2402 of 4096 (2,0,2,3,0,2) R07-M1-N07-J28
Task 2403 of 4096 (2,0,2,3,0,3) R07-M1-N07-J28
Task 2404 of 4096 (2,0,2,3,0,4) R07-M1-N07-J28
Task 2405 of 4096 (2,0,2,3,0,5) R07-M1-N07-J28
Task 2406 of 4096 (2,0,2,3,0,6) R07-M1-N07-J28
Task 2407 of 4096 (2,0,2,3,0,7) R07-M1-N07-J28
Task 2408 of 4096 (2,0,2,3,0,8) R07-M1-N07-J28
Task 2409 of 4096 (2,0,2,3,0,9) R07-M1-N07-J28
Task 2410 of 4096 (2,0,2,3,0,10) R07-M1-N07-J28
Task 2411 of 4096 (2,0,2,3,0,11) R07-M1-N07-J28
Task 2412 of 4096 (2,0,2,3,0,12) R07-M1-N07-J28
Task 2413 of 4096 (2,0,2,3,0,13) R07-M1-N07-J28
Task 2414 of 4096 (2,0,2,3,0,14) R07-M1-N07-J28
Task 2415 of 4096 (2,0,2,3,0,15) R07-M1-N07-J28
Task 2416 of 4096 (2,0,2,3,1,0) R07-M1-N07-J27
Task 2417 of 4096 (2,0,2,3,1,1) R07-M1-N07-J27
Task 2418 of 4096 (2,0,2,3,1,2) R07-M1-N07-J27
Task 2419 of 4096 (2,0,2,3,1,3) R07-M1-N07-J27
Task 2420 of 4096 (2,0,2,3,1,4) R07-M1-N07-J27
Task 2421 of 4096 (2,0,2,3,1,5) R07-M1-N07-J27
Task 2422 of 4096 (2,0,2,3,1,6) R07-M1-N07-J27
Task 2423 of 4096 (2,0,2,3,1,7) R07-M1-N07-J27
Task 2424 of 4096 (2,0,2,3,1,8) R07-M1-N07-J27
Task 2425 of 4096 (2,0,2,3,1,9) R07-M1-N07-J27
Task 2426 of 4096 (2,0,2,3,1,10) R07-M1-N07-J27
Task 2427 of 4096 (2,0,2,3,1,11) R07-M1-N07-J27
Task 2428 of 4096 (2,0,2,3,1,12) R07-M1-N07-J27
Task 2429 of 4096 (2,0,2,3,1,13) R07-M1-N07-J27
Task 2430 of 4096 (2,0,2,3,1,14) R07-M1-N07-J27
Task 2431 of 4096 (2,0,2,3,1,15) R07-M1-N07-J27
Task 2432 of 4096 (2,0,3,0,0,0) R07-M1-N05-J29
Task 2433 of 4096 (2,0,3,0,0,1) R07-M1-N05-J29
Task 2434 of 4096 (2,0,3,0,0,2) R07-M1-N05-J29
Task 2435 of 4096 (2,0,3,0,0,3) R07-M1-N05-J29
Task 2436 of 4096 (2,0,3,0,0,4) R07-M1-N05-J29
Task 2437 of 4096 (2,0,3,0,0,5) R07-M1-N05-J29
Task 2438 of 4096 (2,0,3,0,0,6) R07-M1-N05-J29
Task 2439 of 4096 (2,0,3,0,0,7) R07-M1-N05-J29
Task 2440 of 4096 (2,0,3,0,0,8) R07-M1-N05-J29
Task 2441 of 4096 (2,0,3,0,0,9) R07-M1-N05-J29
Task 2442 of 4096 (2,0,3,0,0,10) R07-M1-N05-J29
Task 2443 of 4096 (2,0,3,0,0,11) R07-M1-N05-J29
Task 2444 of 4096 (2,0,3,0,0,12) R07-M1-N05-J29
Task 2445 of 4096 (2,0,3,0,0,13) R07-M1-N05-J29
Task 2446 of 4096 (2,0,3,0,0,14) R07-M1-N05-J29
Task 2447 of 4096 (2,0,3,0,0,15) R07-M1-N05-J29
Task 2448 of 4096 (2,0,3,0,1,0) R07-M1-N05-J26
Task 2449 of 4096 (2,0,3,0,1,1) R07-M1-N05-J26
Task 2450 of 4096 (2,0,3,0,1,2) R07-M1-N05-J26
Task 2451 of 4096 (2,0,3,0,1,3) R07-M1-N05-J26
Task 2452 of 4096 (2,0,3,0,1,4) R07-M1-N05-J26
Task 2453 of 4096 (2,0,3,0,1,5) R07-M1-N05-J26
Task 2454 of 4096 (2,0,3,0,1,6) R07-M1-N05-J26
Task 2455 of 4096 (2,0,3,0,1,7) R07-M1-N05-J26
Task 2456 of 4096 (2,0,3,0,1,8) R07-M1-N05-J26
Task 2457 of 4096 (2,0,3,0,1,9) R07-M1-N05-J26
Task 2458 of 4096 (2,0,3,0,1,10) R07-M1-N05-J26
Task 2459 of 4096 (2,0,3,0,1,11) R07-M1-N05-J26
Task 2460 of 4096 (2,0,3,0,1,12) R07-M1-N05-J26
Task 2461 of 4096 (2,0,3,0,1,13) R07-M1-N05-J26
Task 2462 of 4096 (2,0,3,0,1,14) R07-M1-N05-J26
Task 2463 of 4096 (2,0,3,0,1,15) R07-M1-N05-J26
Task 2464 of 4096 (2,0,3,1,0,0) R07-M1-N05-J17
Task 2465 of 4096 (2,0,3,1,0,1) R07-M1-N05-J17
Task 2466 of 4096 (2,0,3,1,0,2) R07-M1-N05-J17
Task 2467 of 4096 (2,0,3,1,0,3) R07-M1-N05-J17
Task 2468 of 4096 (2,0,3,1,0,4) R07-M1-N05-J17
Task 2469 of 4096 (2,0,3,1,0,5) R07-M1-N05-J17
Task 2470 of 4096 (2,0,3,1,0,6) R07-M1-N05-J17
Task 2471 of 4096 (2,0,3,1,0,7) R07-M1-N05-J17
Task 2472 of 4096 (2,0,3,1,0,8) R07-M1-N05-J17
Task 2473 of 4096 (2,0,3,1,0,9) R07-M1-N05-J17
Task 2474 of 4096 (2,0,3,1,0,10) R07-M1-N05-J17
Task 2475 of 4096 (2,0,3,1,0,11) R07-M1-N05-J17
Task 2476 of 4096 (2,0,3,1,0,12) R07-M1-N05-J17
Task 2477 of 4096 (2,0,3,1,0,13) R07-M1-N05-J17
Task 2478 of 4096 (2,0,3,1,0,14) R07-M1-N05-J17
Task 2479 of 4096 (2,0,3,1,0,15) R07-M1-N05-J17
Task 2480 of 4096 (2,0,3,1,1,0) R07-M1-N05-J22
Task 2481 of 4096 (2,0,3,1,1,1) R07-M1-N05-J22
Task 2482 of 4096 (2,0,3,1,1,2) R07-M1-N05-J22
Task 2483 of 4096 (2,0,3,1,1,3) R07-M1-N05-J22
Task 2484 of 4096 (2,0,3,1,1,4) R07-M1-N05-J22
Task 2485 of 4096 (2,0,3,1,1,5) R07-M1-N05-J22
Task 2486 of 4096 (2,0,3,1,1,6) R07-M1-N05-J22
Task 2487 of 4096 (2,0,3,1,1,7) R07-M1-N05-J22
Task 2488 of 4096 (2,0,3,1,1,8) R07-M1-N05-J22
Task 2489 of 4096 (2,0,3,1,1,9) R07-M1-N05-J22
Task 2490 of 4096 (2,0,3,1,1,10) R07-M1-N05-J22
Task 2491 of 4096 (2,0,3,1,1,11) R07-M1-N05-J22
Task 2492 of 4096 (2,0,3,1,1,12) R07-M1-N05-J22
Task 2493 of 4096 (2,0,3,1,1,13) R07-M1-N05-J22
Task 2494 of 4096 (2,0,3,1,1,14) R07-M1-N05-J22
Task 2495 of 4096 (2,0,3,1,1,15) R07-M1-N05-J22
Task 2496 of 4096 (2,0,3,2,0,0) R07-M1-N07-J17
Task 2497 of 4096 (2,0,3,2,0,1) R07-M1-N07-J17
Task 2498 of 4096 (2,0,3,2,0,2) R07-M1-N07-J17
Task 2499 of 4096 (2,0,3,2,0,3) R07-M1-N07-J17
Task 2500 of 4096 (2,0,3,2,0,4) R07-M1-N07-J17
Task 2501 of 4096 (2,0,3,2,0,5) R07-M1-N07-J17
Task 2502 of 4096 (2,0,3,2,0,6) R07-M1-N07-J17
Task 2503 of 4096 (2,0,3,2,0,7) R07-M1-N07-J17
Task 2504 of 4096 (2,0,3,2,0,8) R07-M1-N07-J17
Task 2505 of 4096 (2,0,3,2,0,9) R07-M1-N07-J17
Task 2506 of 4096 (2,0,3,2,0,10) R07-M1-N07-J17
Task 2507 of 4096 (2,0,3,2,0,11) R07-M1-N07-J17
Task 2508 of 4096 (2,0,3,2,0,12) R07-M1-N07-J17
Task 2509 of 4096 (2,0,3,2,0,13) R07-M1-N07-J17
Task 2510 of 4096 (2,0,3,2,0,14) R07-M1-N07-J17
Task 2511 of 4096 (2,0,3,2,0,15) R07-M1-N07-J17
Task 2512 of 4096 (2,0,3,2,1,0) R07-M1-N07-J22
Task 2513 of 4096 (2,0,3,2,1,1) R07-M1-N07-J22
Task 2514 of 4096 (2,0,3,2,1,2) R07-M1-N07-J22
Task 2515 of 4096 (2,0,3,2,1,3) R07-M1-N07-J22
Task 2516 of 4096 (2,0,3,2,1,4) R07-M1-N07-J22
Task 2517 of 4096 (2,0,3,2,1,5) R07-M1-N07-J22
Task 2518 of 4096 (2,0,3,2,1,6) R07-M1-N07-J22
Task 2519 of 4096 (2,0,3,2,1,7) R07-M1-N07-J22
Task 2520 of 4096 (2,0,3,2,1,8) R07-M1-N07-J22
Task 2521 of 4096 (2,0,3,2,1,9) R07-M1-N07-J22
Task 2522 of 4096 (2,0,3,2,1,10) R07-M1-N07-J22
Task 2523 of 4096 (2,0,3,2,1,11) R07-M1-N07-J22
Task 2524 of 4096 (2,0,3,2,1,12) R07-M1-N07-J22
Task 2525 of 4096 (2,0,3,2,1,13) R07-M1-N07-J22
Task 2526 of 4096 (2,0,3,2,1,14) R07-M1-N07-J22
Task 2527 of 4096 (2,0,3,2,1,15) R07-M1-N07-J22
Task 2528 of 4096 (2,0,3,3,0,0) R07-M1-N07-J29
Task 2529 of 4096 (2,0,3,3,0,1) R07-M1-N07-J29
Task 2530 of 4096 (2,0,3,3,0,2) R07-M1-N07-J29
Task 2531 of 4096 (2,0,3,3,0,3) R07-M1-N07-J29
Task 2532 of 4096 (2,0,3,3,0,4) R07-M1-N07-J29
Task 2533 of 4096 (2,0,3,3,0,5) R07-M1-N07-J29
Task 2534 of 4096 (2,0,3,3,0,6) R07-M1-N07-J29
Task 2535 of 4096 (2,0,3,3,0,7) R07-M1-N07-J29
Task 2536 of 4096 (2,0,3,3,0,8) R07-M1-N07-J29
Task 2537 of 4096 (2,0,3,3,0,9) R07-M1-N07-J29
Task 2538 of 4096 (2,0,3,3,0,10) R07-M1-N07-J29
Task 2539 of 4096 (2,0,3,3,0,11) R07-M1-N07-J29
Task 2540 of 4096 (2,0,3,3,0,12) R07-M1-N07-J29
Task 2541 of 4096 (2,0,3,3,0,13) R07-M1-N07-J29
Task 2542 of 4096 (2,0,3,3,0,14) R07-M1-N07-J29
Task 2543 of 4096 (2,0,3,3,0,15) R07-M1-N07-J29
Task 2544 of 4096 (2,0,3,3,1,0) R07-M1-N07-J26
Task 2545 of 4096 (2,0,3,3,1,1) R07-M1-N07-J26
Task 2546 of 4096 (2,0,3,3,1,2) R07-M1-N07-J26
Task 2547 of 4096 (2,0,3,3,1,3) R07-M1-N07-J26
Task 2548 of 4096 (2,0,3,3,1,4) R07-M1-N07-J26
Task 2549 of 4096 (2,0,3,3,1,5) R07-M1-N07-J26
Task 2550 of 4096 (2,0,3,3,1,6) R07-M1-N07-J26
Task 2551 of 4096 (2,0,3,3,1,7) R07-M1-N07-J26
Task 2552 of 4096 (2,0,3,3,1,8) R07-M1-N07-J26
Task 2553 of 4096 (2,0,3,3,1,9) R07-M1-N07-J26
Task 2554 of 4096 (2,0,3,3,1,10) R07-M1-N07-J26
Task 2555 of 4096 (2,0,3,3,1,11) R07-M1-N07-J26
Task 2556 of 4096 (2,0,3,3,1,12) R07-M1-N07-J26
Task 2557 of 4096 (2,0,3,3,1,13) R07-M1-N07-J26
Task 2558 of 4096 (2,0,3,3,1,14) R07-M1-N07-J26
Task 2559 of 4096 (2,0,3,3,1,15) R07-M1-N07-J26
Task 2560 of 4096 (2,1,0,0,0,0) R07-M1-N04-J30
Task 2561 of 4096 (2,1,0,0,0,1) R07-M1-N04-J30
Task 2562 of 4096 (2,1,0,0,0,2) R07-M1-N04-J30
Task 2563 of 4096 (2,1,0,0,0,3) R07-M1-N04-J30
Task 2564 of 4096 (2,1,0,0,0,4) R07-M1-N04-J30
Task 2565 of 4096 (2,1,0,0,0,5) R07-M1-N04-J30
Task 2566 of 4096 (2,1,0,0,0,6) R07-M1-N04-J30
Task 2567 of 4096 (2,1,0,0,0,7) R07-M1-N04-J30
Task 2568 of 4096 (2,1,0,0,0,8) R07-M1-N04-J30
Task 2569 of 4096 (2,1,0,0,0,9) R07-M1-N04-J30
Task 2570 of 4096 (2,1,0,0,0,10) R07-M1-N04-J30
Task 2571 of 4096 (2,1,0,0,0,11) R07-M1-N04-J30
Task 2572 of 4096 (2,1,0,0,0,12) R07-M1-N04-J30
Task 2573 of 4096 (2,1,0,0,0,13) R07-M1-N04-J30
Task 2574 of 4096 (2,1,0,0,0,14) R07-M1-N04-J30
Task 2575 of 4096 (2,1,0,0,0,15) R07-M1-N04-J30
Task 2576 of 4096 (2,1,0,0,1,0) R07-M1-N04-J25
Task 2577 of 4096 (2,1,0,0,1,1) R07-M1-N04-J25
Task 2578 of 4096 (2,1,0,0,1,2) R07-M1-N04-J25
Task 2579 of 4096 (2,1,0,0,1,3) R07-M1-N04-J25
Task 2580 of 4096 (2,1,0,0,1,4) R07-M1-N04-J25
Task 2581 of 4096 (2,1,0,0,1,5) R07-M1-N04-J25
Task 2582 of 4096 (2,1,0,0,1,6) R07-M1-N04-J25
Task 2583 of 4096 (2,1,0,0,1,7) R07-M1-N04-J25
Task 2584 of 4096 (2,1,0,0,1,8) R07-M1-N04-J25
Task 2585 of 4096 (2,1,0,0,1,9) R07-M1-N04-J25
Task 2586 of 4096 (2,1,0,0,1,10) R07-M1-N04-J25
Task 2587 of 4096 (2,1,0,0,1,11) R07-M1-N04-J25
Task 2588 of 4096 (2,1,0,0,1,12) R07-M1-N04-J25
Task 2589 of 4096 (2,1,0,0,1,13) R07-M1-N04-J25
Task 2590 of 4096 (2,1,0,0,1,14) R07-M1-N04-J25
Task 2591 of 4096 (2,1,0,0,1,15) R07-M1-N04-J25
Task 2592 of 4096 (2,1,0,1,0,0) R07-M1-N04-J18
Task 2593 of 4096 (2,1,0,1,0,1) R07-M1-N04-J18
Task 2594 of 4096 (2,1,0,1,0,2) R07-M1-N04-J18
Task 2595 of 4096 (2,1,0,1,0,3) R07-M1-N04-J18
Task 2596 of 4096 (2,1,0,1,0,4) R07-M1-N04-J18
Task 2597 of 4096 (2,1,0,1,0,5) R07-M1-N04-J18
Task 2598 of 4096 (2,1,0,1,0,6) R07-M1-N04-J18
Task 2599 of 4096 (2,1,0,1,0,7) R07-M1-N04-J18
Task 2600 of 4096 (2,1,0,1,0,8) R07-M1-N04-J18
Task 2601 of 4096 (2,1,0,1,0,9) R07-M1-N04-J18
Task 2602 of 4096 (2,1,0,1,0,10) R07-M1-N04-J18
Task 2603 of 4096 (2,1,0,1,0,11) R07-M1-N04-J18
Task 2604 of 4096 (2,1,0,1,0,12) R07-M1-N04-J18
Task 2605 of 4096 (2,1,0,1,0,13) R07-M1-N04-J18
Task 2606 of 4096 (2,1,0,1,0,14) R07-M1-N04-J18
Task 2607 of 4096 (2,1,0,1,0,15) R07-M1-N04-J18
Task 2608 of 4096 (2,1,0,1,1,0) R07-M1-N04-J21
Task 2609 of 4096 (2,1,0,1,1,1) R07-M1-N04-J21
Task 2610 of 4096 (2,1,0,1,1,2) R07-M1-N04-J21
Task 2611 of 4096 (2,1,0,1,1,3) R07-M1-N04-J21
Task 2612 of 4096 (2,1,0,1,1,4) R07-M1-N04-J21
Task 2613 of 4096 (2,1,0,1,1,5) R07-M1-N04-J21
Task 2614 of 4096 (2,1,0,1,1,6) R07-M1-N04-J21
Task 2615 of 4096 (2,1,0,1,1,7) R07-M1-N04-J21
Task 2616 of 4096 (2,1,0,1,1,8) R07-M1-N04-J21
Task 2617 of 4096 (2,1,0,1,1,9) R07-M1-N04-J21
Task 2618 of 4096 (2,1,0,1,1,10) R07-M1-N04-J21
Task 2619 of 4096 (2,1,0,1,1,11) R07-M1-N04-J21
Task 2620 of 4096 (2,1,0,1,1,12) R07-M1-N04-J21
Task 2621 of 4096 (2,1,0,1,1,13) R07-M1-N04-J21
Task 2622 of 4096 (2,1,0,1,1,14) R07-M1-N04-J21
Task 2623 of 4096 (2,1,0,1,1,15) R07-M1-N04-J21
Task 2624 of 4096 (2,1,0,2,0,0) R07-M1-N06-J18
Task 2625 of 4096 (2,1,0,2,0,1) R07-M1-N06-J18
Task 2626 of 4096 (2,1,0,2,0,2) R07-M1-N06-J18
Task 2627 of 4096 (2,1,0,2,0,3) R07-M1-N06-J18
Task 2628 of 4096 (2,1,0,2,0,4) R07-M1-N06-J18
Task 2629 of 4096 (2,1,0,2,0,5) R07-M1-N06-J18
Task 2630 of 4096 (2,1,0,2,0,6) R07-M1-N06-J18
Task 2631 of 4096 (2,1,0,2,0,7) R07-M1-N06-J18
Task 2632 of 4096 (2,1,0,2,0,8) R07-M1-N06-J18
Task 2633 of 4096 (2,1,0,2,0,9) R07-M1-N06-J18
Task 2634 of 4096 (2,1,0,2,0,10) R07-M1-N06-J18
Task 2635 of 4096 (2,1,0,2,0,11) R07-M1-N06-J18
Task 2636 of 4096 (2,1,0,2,0,12) R07-M1-N06-J18
Task 2637 of 4096 (2,1,0,2,0,13) R07-M1-N06-J18
Task 2638 of 4096 (2,1,0,2,0,14) R07-M1-N06-J18
Task 2639 of 4096 (2,1,0,2,0,15) R07-M1-N06-J18
Task 2640 of 4096 (2,1,0,2,1,0) R07-M1-N06-J21
Task 2641 of 4096 (2,1,0,2,1,1) R07-M1-N06-J21
Task 2642 of 4096 (2,1,0,2,1,2) R07-M1-N06-J21
Task 2643 of 4096 (2,1,0,2,1,3) R07-M1-N06-J21
Task 2644 of 4096 (2,1,0,2,1,4) R07-M1-N06-J21
Task 2645 of 4096 (2,1,0,2,1,5) R07-M1-N06-J21
Task 2646 of 4096 (2,1,0,2,1,6) R07-M1-N06-J21
Task 2647 of 4096 (2,1,0,2,1,7) R07-M1-N06-J21
Task 2648 of 4096 (2,1,0,2,1,8) R07-M1-N06-J21
Task 2649 of 4096 (2,1,0,2,1,9) R07-M1-N06-J21
Task 2650 of 4096 (2,1,0,2,1,10) R07-M1-N06-J21
Task 2651 of 4096 (2,1,0,2,1,11) R07-M1-N06-J21
Task 2652 of 4096 (2,1,0,2,1,12) R07-M1-N06-J21
Task 2653 of 4096 (2,1,0,2,1,13) R07-M1-N06-J21
Task 2654 of 4096 (2,1,0,2,1,14) R07-M1-N06-J21
Task 2655 of 4096 (2,1,0,2,1,15) R07-M1-N06-J21
Task 2656 of 4096 (2,1,0,3,0,0) R07-M1-N06-J30
Task 2657 of 4096 (2,1,0,3,0,1) R07-M1-N06-J30
Task 2658 of 4096 (2,1,0,3,0,2) R07-M1-N06-J30
Task 2659 of 4096 (2,1,0,3,0,3) R07-M1-N06-J30
Task 2660 of 4096 (2,1,0,3,0,4) R07-M1-N06-J30
Task 2661 of 4096 (2,1,0,3,0,5) R07-M1-N06-J30
Task 2662 of 4096 (2,1,0,3,0,6) R07-M1-N06-J30
Task 2663 of 4096 (2,1,0,3,0,7) R07-M1-N06-J30
Task 2664 of 4096 (2,1,0,3,0,8) R07-M1-N06-J30
Task 2665 of 4096 (2,1,0,3,0,9) R07-M1-N06-J30
Task 2666 of 4096 (2,1,0,3,0,10) R07-M1-N06-J30
Task 2667 of 4096 (2,1,0,3,0,11) R07-M1-N06-J30
Task 2668 of 4096 (2,1,0,3,0,12) R07-M1-N06-J30
Task 2669 of 4096 (2,1,0,3,0,13) R07-M1-N06-J30
Task 2670 of 4096 (2,1,0,3,0,14) R07-M1-N06-J30
Task 2671 of 4096 (2,1,0,3,0,15) R07-M1-N06-J30
Task 2672 of 4096 (2,1,0,3,1,0) R07-M1-N06-J25
Task 2673 of 4096 (2,1,0,3,1,1) R07-M1-N06-J25
Task 2674 of 4096 (2,1,0,3,1,2) R07-M1-N06-J25
Task 2675 of 4096 (2,1,0,3,1,3) R07-M1-N06-J25
Task 2676 of 4096 (2,1,0,3,1,4) R07-M1-N06-J25
Task 2677 of 4096 (2,1,0,3,1,5) R07-M1-N06-J25
Task 2678 of 4096 (2,1,0,3,1,6) R07-M1-N06-J25
Task 2679 of 4096 (2,1,0,3,1,7) R07-M1-N06-J25
Task 2680 of 4096 (2,1,0,3,1,8) R07-M1-N06-J25
Task 2681 of 4096 (2,1,0,3,1,9) R07-M1-N06-J25
Task 2682 of 4096 (2,1,0,3,1,10) R07-M1-N06-J25
Task 2683 of 4096 (2,1,0,3,1,11) R07-M1-N06-J25
Task 2684 of 4096 (2,1,0,3,1,12) R07-M1-N06-J25
Task 2685 of 4096 (2,1,0,3,1,13) R07-M1-N06-J25
Task 2686 of 4096 (2,1,0,3,1,14) R07-M1-N06-J25
Task 2687 of 4096 (2,1,0,3,1,15) R07-M1-N06-J25
Task 2688 of 4096 (2,1,1,0,0,0) R07-M1-N04-J31
Task 2689 of 4096 (2,1,1,0,0,1) R07-M1-N04-J31
Task 2690 of 4096 (2,1,1,0,0,2) R07-M1-N04-J31
Task 2691 of 4096 (2,1,1,0,0,3) R07-M1-N04-J31
Task 2692 of 4096 (2,1,1,0,0,4) R07-M1-N04-J31
Task 2693 of 4096 (2,1,1,0,0,5) R07-M1-N04-J31
Task 2694 of 4096 (2,1,1,0,0,6) R07-M1-N04-J31
Task 2695 of 4096 (2,1,1,0,0,7) R07-M1-N04-J31
Task 2696 of 4096 (2,1,1,0,0,8) R07-M1-N04-J31
Task 2697 of 4096 (2,1,1,0,0,9) R07-M1-N04-J31
Task 2698 of 4096 (2,1,1,0,0,10) R07-M1-N04-J31
Task 2699 of 4096 (2,1,1,0,0,11) R07-M1-N04-J31
Task 2700 of 4096 (2,1,1,0,0,12) R07-M1-N04-J31
Task 2701 of 4096 (2,1,1,0,0,13) R07-M1-N04-J31
Task 2702 of 4096 (2,1,1,0,0,14) R07-M1-N04-J31
Task 2703 of 4096 (2,1,1,0,0,15) R07-M1-N04-J31
Task 2704 of 4096 (2,1,1,0,1,0) R07-M1-N04-J24
Task 2705 of 4096 (2,1,1,0,1,1) R07-M1-N04-J24
Task 2706 of 4096 (2,1,1,0,1,2) R07-M1-N04-J24
Task 2707 of 4096 (2,1,1,0,1,3) R07-M1-N04-J24
Task 2708 of 4096 (2,1,1,0,1,4) R07-M1-N04-J24
Task 2709 of 4096 (2,1,1,0,1,5) R07-M1-N04-J24
Task 2710 of 4096 (2,1,1,0,1,6) R07-M1-N04-J24
Task 2711 of 4096 (2,1,1,0,1,7) R07-M1-N04-J24
Task 2712 of 4096 (2,1,1,0,1,8) R07-M1-N04-J24
Task 2713 of 4096 (2,1,1,0,1,9) R07-M1-N04-J24
Task 2714 of 4096 (2,1,1,0,1,10) R07-M1-N04-J24
Task 2715 of 4096 (2,1,1,0,1,11) R07-M1-N04-J24
Task 2716 of 4096 (2,1,1,0,1,12) R07-M1-N04-J24
Task 2717 of 4096 (2,1,1,0,1,13) R07-M1-N04-J24
Task 2718 of 4096 (2,1,1,0,1,14) R07-M1-N04-J24
Task 2719 of 4096 (2,1,1,0,1,15) R07-M1-N04-J24
Task 2720 of 4096 (2,1,1,1,0,0) R07-M1-N04-J19
Task 2721 of 4096 (2,1,1,1,0,1) R07-M1-N04-J19
Task 2722 of 4096 (2,1,1,1,0,2) R07-M1-N04-J19
Task 2723 of 4096 (2,1,1,1,0,3) R07-M1-N04-J19
Task 2724 of 4096 (2,1,1,1,0,4) R07-M1-N04-J19
Task 2725 of 4096 (2,1,1,1,0,5) R07-M1-N04-J19
Task 2726 of 4096 (2,1,1,1,0,6) R07-M1-N04-J19
Task 2727 of 4096 (2,1,1,1,0,7) R07-M1-N04-J19
Task 2728 of 4096 (2,1,1,1,0,8) R07-M1-N04-J19
Task 2729 of 4096 (2,1,1,1,0,9) R07-M1-N04-J19
Task 2730 of 4096 (2,1,1,1,0,10) R07-M1-N04-J19
Task 2731 of 4096 (2,1,1,1,0,11) R07-M1-N04-J19
Task 2732 of 4096 (2,1,1,1,0,12) R07-M1-N04-J19
Task 2733 of 4096 (2,1,1,1,0,13) R07-M1-N04-J19
Task 2734 of 4096 (2,1,1,1,0,14) R07-M1-N04-J19
Task 2735 of 4096 (2,1,1,1,0,15) R07-M1-N04-J19
Task 2736 of 4096 (2,1,1,1,1,0) R07-M1-N04-J20
Task 2737 of 4096 (2,1,1,1,1,1) R07-M1-N04-J20
Task 2738 of 4096 (2,1,1,1,1,2) R07-M1-N04-J20
Task 2739 of 4096 (2,1,1,1,1,3) R07-M1-N04-J20
Task 2740 of 4096 (2,1,1,1,1,4) R07-M1-N04-J20
Task 2741 of 4096 (2,1,1,1,1,5) R07-M1-N04-J20
Task 2742 of 4096 (2,1,1,1,1,6) R07-M1-N04-J20
Task 2743 of 4096 (2,1,1,1,1,7) R07-M1-N04-J20
Task 2744 of 4096 (2,1,1,1,1,8) R07-M1-N04-J20
Task 2745 of 4096 (2,1,1,1,1,9) R07-M1-N04-J20
Task 2746 of 4096 (2,1,1,1,1,10) R07-M1-N04-J20
Task 2747 of 4096 (2,1,1,1,1,11) R07-M1-N04-J20
Task 2748 of 4096 (2,1,1,1,1,12) R07-M1-N04-J20
Task 2749 of 4096 (2,1,1,1,1,13) R07-M1-N04-J20
Task 2750 of 4096 (2,1,1,1,1,14) R07-M1-N04-J20
Task 2751 of 4096 (2,1,1,1,1,15) R07-M1-N04-J20
Task 2752 of 4096 (2,1,1,2,0,0) R07-M1-N06-J19
Task 2753 of 4096 (2,1,1,2,0,1) R07-M1-N06-J19
Task 2754 of 4096 (2,1,1,2,0,2) R07-M1-N06-J19
Task 2755 of 4096 (2,1,1,2,0,3) R07-M1-N06-J19
Task 2756 of 4096 (2,1,1,2,0,4) R07-M1-N06-J19
Task 2757 of 4096 (2,1,1,2,0,5) R07-M1-N06-J19
Task 2758 of 4096 (2,1,1,2,0,6) R07-M1-N06-J19
Task 2759 of 4096 (2,1,1,2,0,7) R07-M1-N06-J19
Task 2760 of 4096 (2,1,1,2,0,8) R07-M1-N06-J19
Task 2761 of 4096 (2,1,1,2,0,9) R07-M1-N06-J19
Task 2762 of 4096 (2,1,1,2,0,10) R07-M1-N06-J19
Task 2763 of 4096 (2,1,1,2,0,11) R07-M1-N06-J19
Task 2764 of 4096 (2,1,1,2,0,12) R07-M1-N06-J19
Task 2765 of 4096 (2,1,1,2,0,13) R07-M1-N06-J19
Task 2766 of 4096 (2,1,1,2,0,14) R07-M1-N06-J19
Task 2767 of 4096 (2,1,1,2,0,15) R07-M1-N06-J19
Task 2768 of 4096 (2,1,1,2,1,0) R07-M1-N06-J20
Task 2769 of 4096 (2,1,1,2,1,1) R07-M1-N06-J20
Task 2770 of 4096 (2,1,1,2,1,2) R07-M1-N06-J20
Task 2771 of 4096 (2,1,1,2,1,3) R07-M1-N06-J20
Task 2772 of 4096 (2,1,1,2,1,4) R07-M1-N06-J20
Task 2773 of 4096 (2,1,1,2,1,5) R07-M1-N06-J20
Task 2774 of 4096 (2,1,1,2,1,6) R07-M1-N06-J20
Task 2775 of 4096 (2,1,1,2,1,7) R07-M1-N06-J20
Task 2776 of 4096 (2,1,1,2,1,8) R07-M1-N06-J20
Task 2777 of 4096 (2,1,1,2,1,9) R07-M1-N06-J20
Task 2778 of 4096 (2,1,1,2,1,10) R07-M1-N06-J20
Task 2779 of 4096 (2,1,1,2,1,11) R07-M1-N06-J20
Task 2780 of 4096 (2,1,1,2,1,12) R07-M1-N06-J20
Task 2781 of 4096 (2,1,1,2,1,13) R07-M1-N06-J20
Task 2782 of 4096 (2,1,1,2,1,14) R07-M1-N06-J20
Task 2783 of 4096 (2,1,1,2,1,15) R07-M1-N06-J20
Task 2784 of 4096 (2,1,1,3,0,0) R07-M1-N06-J31
Task 2785 of 4096 (2,1,1,3,0,1) R07-M1-N06-J31
Task 2786 of 4096 (2,1,1,3,0,2) R07-M1-N06-J31
Task 2787 of 4096 (2,1,1,3,0,3) R07-M1-N06-J31
Task 2788 of 4096 (2,1,1,3,0,4) R07-M1-N06-J31
Task 2789 of 4096 (2,1,1,3,0,5) R07-M1-N06-J31
Task 2790 of 4096 (2,1,1,3,0,6) R07-M1-N06-J31
Task 2791 of 4096 (2,1,1,3,0,7) R07-M1-N06-J31
Task 2792 of 4096 (2,1,1,3,0,8) R07-M1-N06-J31
Task 2793 of 4096 (2,1,1,3,0,9) R07-M1-N06-J31
Task 2794 of 4096 (2,1,1,3,0,10) R07-M1-N06-J31
Task 2795 of 4096 (2,1,1,3,0,11) R07-M1-N06-J31
Task 2796 of 4096 (2,1,1,3,0,12) R07-M1-N06-J31
Task 2797 of 4096 (2,1,1,3,0,13) R07-M1-N06-J31
Task 2798 of 4096 (2,1,1,3,0,14) R07-M1-N06-J31
Task 2799 of 4096 (2,1,1,3,0,15) R07-M1-N06-J31
Task 2800 of 4096 (2,1,1,3,1,0) R07-M1-N06-J24
Task 2801 of 4096 (2,1,1,3,1,1) R07-M1-N06-J24
Task 2802 of 4096 (2,1,1,3,1,2) R07-M1-N06-J24
Task 2803 of 4096 (2,1,1,3,1,3) R07-M1-N06-J24
Task 2804 of 4096 (2,1,1,3,1,4) R07-M1-N06-J24
Task 2805 of 4096 (2,1,1,3,1,5) R07-M1-N06-J24
Task 2806 of 4096 (2,1,1,3,1,6) R07-M1-N06-J24
Task 2807 of 4096 (2,1,1,3,1,7) R07-M1-N06-J24
Task 2808 of 4096 (2,1,1,3,1,8) R07-M1-N06-J24
Task 2809 of 4096 (2,1,1,3,1,9) R07-M1-N06-J24
Task 2810 of 4096 (2,1,1,3,1,10) R07-M1-N06-J24
Task 2811 of 4096 (2,1,1,3,1,11) R07-M1-N06-J24
Task 2812 of 4096 (2,1,1,3,1,12) R07-M1-N06-J24
Task 2813 of 4096 (2,1,1,3,1,13) R07-M1-N06-J24
Task 2814 of 4096 (2,1,1,3,1,14) R07-M1-N06-J24
Task 2815 of 4096 (2,1,1,3,1,15) R07-M1-N06-J24
Task 2816 of 4096 (2,1,2,0,0,0) R07-M1-N05-J31
Task 2817 of 4096 (2,1,2,0,0,1) R07-M1-N05-J31
Task 2818 of 4096 (2,1,2,0,0,2) R07-M1-N05-J31
Task 2819 of 4096 (2,1,2,0,0,3) R07-M1-N05-J31
Task 2820 of 4096 (2,1,2,0,0,4) R07-M1-N05-J31
Task 2821 of 4096 (2,1,2,0,0,5) R07-M1-N05-J31
Task 2822 of 4096 (2,1,2,0,0,6) R07-M1-N05-J31
Task 2823 of 4096 (2,1,2,0,0,7) R07-M1-N05-J31
Task 2824 of 4096 (2,1,2,0,0,8) R07-M1-N05-J31
Task 2825 of 4096 (2,1,2,0,0,9) R07-M1-N05-J31
Task 2826 of 4096 (2,1,2,0,0,10) R07-M1-N05-J31
Task 2827 of 4096 (2,1,2,0,0,11) R07-M1-N05-J31
Task 2828 of 4096 (2,1,2,0,0,12) R07-M1-N05-J31
Task 2829 of 4096 (2,1,2,0,0,13) R07-M1-N05-J31
Task 2830 of 4096 (2,1,2,0,0,14) R07-M1-N05-J31
Task 2831 of 4096 (2,1,2,0,0,15) R07-M1-N05-J31
Task 2832 of 4096 (2,1,2,0,1,0) R07-M1-N05-J24
Task 2833 of 4096 (2,1,2,0,1,1) R07-M1-N05-J24
Task 2834 of 4096 (2,1,2,0,1,2) R07-M1-N05-J24
Task 2835 of 4096 (2,1,2,0,1,3) R07-M1-N05-J24
Task 2836 of 4096 (2,1,2,0,1,4) R07-M1-N05-J24
Task 2837 of 4096 (2,1,2,0,1,5) R07-M1-N05-J24
Task 2838 of 4096 (2,1,2,0,1,6) R07-M1-N05-J24
Task 2839 of 4096 (2,1,2,0,1,7) R07-M1-N05-J24
Task 2840 of 4096 (2,1,2,0,1,8) R07-M1-N05-J24
Task 2841 of 4096 (2,1,2,0,1,9) R07-M1-N05-J24
Task 2842 of 4096 (2,1,2,0,1,10) R07-M1-N05-J24
Task 2843 of 4096 (2,1,2,0,1,11) R07-M1-N05-J24
Task 2844 of 4096 (2,1,2,0,1,12) R07-M1-N05-J24
Task 2845 of 4096 (2,1,2,0,1,13) R07-M1-N05-J24
Task 2846 of 4096 (2,1,2,0,1,14) R07-M1-N05-J24
Task 2847 of 4096 (2,1,2,0,1,15) R07-M1-N05-J24
Task 2848 of 4096 (2,1,2,1,0,0) R07-M1-N05-J19
Task 2849 of 4096 (2,1,2,1,0,1) R07-M1-N05-J19
Task 2850 of 4096 (2,1,2,1,0,2) R07-M1-N05-J19
Task 2851 of 4096 (2,1,2,1,0,3) R07-M1-N05-J19
Task 2852 of 4096 (2,1,2,1,0,4) R07-M1-N05-J19
Task 2853 of 4096 (2,1,2,1,0,5) R07-M1-N05-J19
Task 2854 of 4096 (2,1,2,1,0,6) R07-M1-N05-J19
Task 2855 of 4096 (2,1,2,1,0,7) R07-M1-N05-J19
Task 2856 of 4096 (2,1,2,1,0,8) R07-M1-N05-J19
Task 2857 of 4096 (2,1,2,1,0,9) R07-M1-N05-J19
Task 2858 of 4096 (2,1,2,1,0,10) R07-M1-N05-J19
Task 2859 of 4096 (2,1,2,1,0,11) R07-M1-N05-J19
Task 2860 of 4096 (2,1,2,1,0,12) R07-M1-N05-J19
Task 2861 of 4096 (2,1,2,1,0,13) R07-M1-N05-J19
Task 2862 of 4096 (2,1,2,1,0,14) R07-M1-N05-J19
Task 2863 of 4096 (2,1,2,1,0,15) R07-M1-N05-J19
Task 2864 of 4096 (2,1,2,1,1,0) R07-M1-N05-J20
Task 2865 of 4096 (2,1,2,1,1,1) R07-M1-N05-J20
Task 2866 of 4096 (2,1,2,1,1,2) R07-M1-N05-J20
Task 2867 of 4096 (2,1,2,1,1,3) R07-M1-N05-J20
Task 2868 of 4096 (2,1,2,1,1,4) R07-M1-N05-J20
Task 2869 of 4096 (2,1,2,1,1,5) R07-M1-N05-J20
Task 2870 of 4096 (2,1,2,1,1,6) R07-M1-N05-J20
Task 2871 of 4096 (2,1,2,1,1,7) R07-M1-N05-J20
Task 2872 of 4096 (2,1,2,1,1,8) R07-M1-N05-J20
Task 2873 of 4096 (2,1,2,1,1,9) R07-M1-N05-J20
Task 2874 of 4096 (2,1,2,1,1,10) R07-M1-N05-J20
Task 2875 of 4096 (2,1,2,1,1,11) R07-M1-N05-J20
Task 2876 of 4096 (2,1,2,1,1,12) R07-M1-N05-J20
Task 2877 of 4096 (2,1,2,1,1,13) R07-M1-N05-J20
Task 2878 of 4096 (2,1,2,1,1,14) R07-M1-N05-J20
Task 2879 of 4096 (2,1,2,1,1,15) R07-M1-N05-J20
Task 2880 of 4096 (2,1,2,2,0,0) R07-M1-N07-J19
Task 2881 of 4096 (2,1,2,2,0,1) R07-M1-N07-J19
Task 2882 of 4096 (2,1,2,2,0,2) R07-M1-N07-J19
Task 2883 of 4096 (2,1,2,2,0,3) R07-M1-N07-J19
Task 2884 of 4096 (2,1,2,2,0,4) R07-M1-N07-J19
Task 2885 of 4096 (2,1,2,2,0,5) R07-M1-N07-J19
Task 2886 of 4096 (2,1,2,2,0,6) R07-M1-N07-J19
Task 2887 of 4096 (2,1,2,2,0,7) R07-M1-N07-J19
Task 2888 of 4096 (2,1,2,2,0,8) R07-M1-N07-J19
Task 2889 of 4096 (2,1,2,2,0,9) R07-M1-N07-J19
Task 2890 of 4096 (2,1,2,2,0,10) R07-M1-N07-J19
Task 2891 of 4096 (2,1,2,2,0,11) R07-M1-N07-J19
Task 2892 of 4096 (2,1,2,2,0,12) R07-M1-N07-J19
Task 2893 of 4096 (2,1,2,2,0,13) R07-M1-N07-J19
Task 2894 of 4096 (2,1,2,2,0,14) R07-M1-N07-J19
Task 2895 of 4096 (2,1,2,2,0,15) R07-M1-N07-J19
Task 2896 of 4096 (2,1,2,2,1,0) R07-M1-N07-J20
Task 2897 of 4096 (2,1,2,2,1,1) R07-M1-N07-J20
Task 2898 of 4096 (2,1,2,2,1,2) R07-M1-N07-J20
Task 2899 of 4096 (2,1,2,2,1,3) R07-M1-N07-J20
Task 2900 of 4096 (2,1,2,2,1,4) R07-M1-N07-J20
Task 2901 of 4096 (2,1,2,2,1,5) R07-M1-N07-J20
Task 2902 of 4096 (2,1,2,2,1,6) R07-M1-N07-J20
Task 2903 of 4096 (2,1,2,2,1,7) R07-M1-N07-J20
Task 2904 of 4096 (2,1,2,2,1,8) R07-M1-N07-J20
Task 2905 of 4096 (2,1,2,2,1,9) R07-M1-N07-J20
Task 2906 of 4096 (2,1,2,2,1,10) R07-M1-N07-J20
Task 2907 of 4096 (2,1,2,2,1,11) R07-M1-N07-J20
Task 2908 of 4096 (2,1,2,2,1,12) R07-M1-N07-J20
Task 2909 of 4096 (2,1,2,2,1,13) R07-M1-N07-J20
Task 2910 of 4096 (2,1,2,2,1,14) R07-M1-N07-J20
Task 2911 of 4096 (2,1,2,2,1,15) R07-M1-N07-J20
Task 2912 of 4096 (2,1,2,3,0,0) R07-M1-N07-J31
Task 2913 of 4096 (2,1,2,3,0,1) R07-M1-N07-J31
Task 2914 of 4096 (2,1,2,3,0,2) R07-M1-N07-J31
Task 2915 of 4096 (2,1,2,3,0,3) R07-M1-N07-J31
Task 2916 of 4096 (2,1,2,3,0,4) R07-M1-N07-J31
Task 2917 of 4096 (2,1,2,3,0,5) R07-M1-N07-J31
Task 2918 of 4096 (2,1,2,3,0,6) R07-M1-N07-J31
Task 2919 of 4096 (2,1,2,3,0,7) R07-M1-N07-J31
Task 2920 of 4096 (2,1,2,3,0,8) R07-M1-N07-J31
Task 2921 of 4096 (2,1,2,3,0,9) R07-M1-N07-J31
Task 2922 of 4096 (2,1,2,3,0,10) R07-M1-N07-J31
Task 2923 of 4096 (2,1,2,3,0,11) R07-M1-N07-J31
Task 2924 of 4096 (2,1,2,3,0,12) R07-M1-N07-J31
Task 2925 of 4096 (2,1,2,3,0,13) R07-M1-N07-J31
Task 2926 of 4096 (2,1,2,3,0,14) R07-M1-N07-J31
Task 2927 of 4096 (2,1,2,3,0,15) R07-M1-N07-J31
Task 2928 of 4096 (2,1,2,3,1,0) R07-M1-N07-J24
Task 2929 of 4096 (2,1,2,3,1,1) R07-M1-N07-J24
Task 2930 of 4096 (2,1,2,3,1,2) R07-M1-N07-J24
Task 2931 of 4096 (2,1,2,3,1,3) R07-M1-N07-J24
Task 2932 of 4096 (2,1,2,3,1,4) R07-M1-N07-J24
Task 2933 of 4096 (2,1,2,3,1,5) R07-M1-N07-J24
Task 2934 of 4096 (2,1,2,3,1,6) R07-M1-N07-J24
Task 2935 of 4096 (2,1,2,3,1,7) R07-M1-N07-J24
Task 2936 of 4096 (2,1,2,3,1,8) R07-M1-N07-J24
Task 2937 of 4096 (2,1,2,3,1,9) R07-M1-N07-J24
Task 2938 of 4096 (2,1,2,3,1,10) R07-M1-N07-J24
Task 2939 of 4096 (2,1,2,3,1,11) R07-M1-N07-J24
Task 2940 of 4096 (2,1,2,3,1,12) R07-M1-N07-J24
Task 2941 of 4096 (2,1,2,3,1,13) R07-M1-N07-J24
Task 2942 of 4096 (2,1,2,3,1,14) R07-M1-N07-J24
Task 2943 of 4096 (2,1,2,3,1,15) R07-M1-N07-J24
Task 2944 of 4096 (2,1,3,0,0,0) R07-M1-N05-J30
Task 2945 of 4096 (2,1,3,0,0,1) R07-M1-N05-J30
Task 2946 of 4096 (2,1,3,0,0,2) R07-M1-N05-J30
Task 2947 of 4096 (2,1,3,0,0,3) R07-M1-N05-J30
Task 2948 of 4096 (2,1,3,0,0,4) R07-M1-N05-J30
Task 2949 of 4096 (2,1,3,0,0,5) R07-M1-N05-J30
Task 2950 of 4096 (2,1,3,0,0,6) R07-M1-N05-J30
Task 2951 of 4096 (2,1,3,0,0,7) R07-M1-N05-J30
Task 2952 of 4096 (2,1,3,0,0,8) R07-M1-N05-J30
Task 2953 of 4096 (2,1,3,0,0,9) R07-M1-N05-J30
Task 2954 of 4096 (2,1,3,0,0,10) R07-M1-N05-J30
Task 2955 of 4096 (2,1,3,0,0,11) R07-M1-N05-J30
Task 2956 of 4096 (2,1,3,0,0,12) R07-M1-N05-J30
Task 2957 of 4096 (2,1,3,0,0,13) R07-M1-N05-J30
Task 2958 of 4096 (2,1,3,0,0,14) R07-M1-N05-J30
Task 2959 of 4096 (2,1,3,0,0,15) R07-M1-N05-J30
Task 2960 of 4096 (2,1,3,0,1,0) R07-M1-N05-J25
Task 2961 of 4096 (2,1,3,0,1,1) R07-M1-N05-J25
Task 2962 of 4096 (2,1,3,0,1,2) R07-M1-N05-J25
Task 2963 of 4096 (2,1,3,0,1,3) R07-M1-N05-J25
Task 2964 of 4096 (2,1,3,0,1,4) R07-M1-N05-J25
Task 2965 of 4096 (2,1,3,0,1,5) R07-M1-N05-J25
Task 2966 of 4096 (2,1,3,0,1,6) R07-M1-N05-J25
Task 2967 of 4096 (2,1,3,0,1,7) R07-M1-N05-J25
Task 2968 of 4096 (2,1,3,0,1,8) R07-M1-N05-J25
Task 2969 of 4096 (2,1,3,0,1,9) R07-M1-N05-J25
Task 2970 of 4096 (2,1,3,0,1,10) R07-M1-N05-J25
Task 2971 of 4096 (2,1,3,0,1,11) R07-M1-N05-J25
Task 2972 of 4096 (2,1,3,0,1,12) R07-M1-N05-J25
Task 2973 of 4096 (2,1,3,0,1,13) R07-M1-N05-J25
Task 2974 of 4096 (2,1,3,0,1,14) R07-M1-N05-J25
Task 2975 of 4096 (2,1,3,0,1,15) R07-M1-N05-J25
Task 2976 of 4096 (2,1,3,1,0,0) R07-M1-N05-J18
Task 2977 of 4096 (2,1,3,1,0,1) R07-M1-N05-J18
Task 2978 of 4096 (2,1,3,1,0,2) R07-M1-N05-J18
Task 2979 of 4096 (2,1,3,1,0,3) R07-M1-N05-J18
Task 2980 of 4096 (2,1,3,1,0,4) R07-M1-N05-J18
Task 2981 of 4096 (2,1,3,1,0,5) R07-M1-N05-J18
Task 2982 of 4096 (2,1,3,1,0,6) R07-M1-N05-J18
Task 2983 of 4096 (2,1,3,1,0,7) R07-M1-N05-J18
Task 2984 of 4096 (2,1,3,1,0,8) R07-M1-N05-J18
Task 2985 of 4096 (2,1,3,1,0,9) R07-M1-N05-J18
Task 2986 of 4096 (2,1,3,1,0,10) R07-M1-N05-J18
Task 2987 of 4096 (2,1,3,1,0,11) R07-M1-N05-J18
Task 2988 of 4096 (2,1,3,1,0,12) R07-M1-N05-J18
Task 2989 of 4096 (2,1,3,1,0,13) R07-M1-N05-J18
Task 2990 of 4096 (2,1,3,1,0,14) R07-M1-N05-J18
Task 2991 of 4096 (2,1,3,1,0,15) R07-M1-N05-J18
Task 2992 of 4096 (2,1,3,1,1,0) R07-M1-N05-J21
Task 2993 of 4096 (2,1,3,1,1,1) R07-M1-N05-J21
Task 2994 of 4096 (2,1,3,1,1,2) R07-M1-N05-J21
Task 2995 of 4096 (2,1,3,1,1,3) R07-M1-N05-J21
Task 2996 of 4096 (2,1,3,1,1,4) R07-M1-N05-J21
Task 2997 of 4096 (2,1,3,1,1,5) R07-M1-N05-J21
Task 2998 of 4096 (2,1,3,1,1,6) R07-M1-N05-J21
Task 2999 of 4096 (2,1,3,1,1,7) R07-M1-N05-J21
Task 3000 of 4096 (2,1,3,1,1,8) R07-M1-N05-J21
Task 3001 of 4096 (2,1,3,1,1,9) R07-M1-N05-J21
Task 3002 of 4096 (2,1,3,1,1,10) R07-M1-N05-J21
Task 3003 of 4096 (2,1,3,1,1,11) R07-M1-N05-J21
Task 3004 of 4096 (2,1,3,1,1,12) R07-M1-N05-J21
Task 3005 of 4096 (2,1,3,1,1,13) R07-M1-N05-J21
Task 3006 of 4096 (2,1,3,1,1,14) R07-M1-N05-J21
Task 3007 of 4096 (2,1,3,1,1,15) R07-M1-N05-J21
Task 3008 of 4096 (2,1,3,2,0,0) R07-M1-N07-J18
Task 3009 of 4096 (2,1,3,2,0,1) R07-M1-N07-J18
Task 3010 of 4096 (2,1,3,2,0,2) R07-M1-N07-J18
Task 3011 of 4096 (2,1,3,2,0,3) R07-M1-N07-J18
Task 3012 of 4096 (2,1,3,2,0,4) R07-M1-N07-J18
Task 3013 of 4096 (2,1,3,2,0,5) R07-M1-N07-J18
Task 3014 of 4096 (2,1,3,2,0,6) R07-M1-N07-J18
Task 3015 of 4096 (2,1,3,2,0,7) R07-M1-N07-J18
Task 3016 of 4096 (2,1,3,2,0,8) R07-M1-N07-J18
Task 3017 of 4096 (2,1,3,2,0,9) R07-M1-N07-J18
Task 3018 of 4096 (2,1,3,2,0,10) R07-M1-N07-J18
Task 3019 of 4096 (2,1,3,2,0,11) R07-M1-N07-J18
Task 3020 of 4096 (2,1,3,2,0,12) R07-M1-N07-J18
Task 3021 of 4096 (2,1,3,2,0,13) R07-M1-N07-J18
Task 3022 of 4096 (2,1,3,2,0,14) R07-M1-N07-J18
Task 3023 of 4096 (2,1,3,2,0,15) R07-M1-N07-J18
Task 3024 of 4096 (2,1,3,2,1,0) R07-M1-N07-J21
Task 3025 of 4096 (2,1,3,2,1,1) R07-M1-N07-J21
Task 3026 of 4096 (2,1,3,2,1,2) R07-M1-N07-J21
Task 3027 of 4096 (2,1,3,2,1,3) R07-M1-N07-J21
Task 3028 of 4096 (2,1,3,2,1,4) R07-M1-N07-J21
Task 3029 of 4096 (2,1,3,2,1,5) R07-M1-N07-J21
Task 3030 of 4096 (2,1,3,2,1,6) R07-M1-N07-J21
Task 3031 of 4096 (2,1,3,2,1,7) R07-M1-N07-J21
Task 3032 of 4096 (2,1,3,2,1,8) R07-M1-N07-J21
Task 3033 of 4096 (2,1,3,2,1,9) R07-M1-N07-J21
Task 3034 of 4096 (2,1,3,2,1,10) R07-M1-N07-J21
Task 3035 of 4096 (2,1,3,2,1,11) R07-M1-N07-J21
Task 3036 of 4096 (2,1,3,2,1,12) R07-M1-N07-J21
Task 3037 of 4096 (2,1,3,2,1,13) R07-M1-N07-J21
Task 3038 of 4096 (2,1,3,2,1,14) R07-M1-N07-J21
Task 3039 of 4096 (2,1,3,2,1,15) R07-M1-N07-J21
Task 3040 of 4096 (2,1,3,3,0,0) R07-M1-N07-J30
Task 3041 of 4096 (2,1,3,3,0,1) R07-M1-N07-J30
Task 3042 of 4096 (2,1,3,3,0,2) R07-M1-N07-J30
Task 3043 of 4096 (2,1,3,3,0,3) R07-M1-N07-J30
Task 3044 of 4096 (2,1,3,3,0,4) R07-M1-N07-J30
Task 3045 of 4096 (2,1,3,3,0,5) R07-M1-N07-J30
Task 3046 of 4096 (2,1,3,3,0,6) R07-M1-N07-J30
Task 3047 of 4096 (2,1,3,3,0,7) R07-M1-N07-J30
Task 3048 of 4096 (2,1,3,3,0,8) R07-M1-N07-J30
Task 3049 of 4096 (2,1,3,3,0,9) R07-M1-N07-J30
Task 3050 of 4096 (2,1,3,3,0,10) R07-M1-N07-J30
Task 3051 of 4096 (2,1,3,3,0,11) R07-M1-N07-J30
Task 3052 of 4096 (2,1,3,3,0,12) R07-M1-N07-J30
Task 3053 of 4096 (2,1,3,3,0,13) R07-M1-N07-J30
Task 3054 of 4096 (2,1,3,3,0,14) R07-M1-N07-J30
Task 3055 of 4096 (2,1,3,3,0,15) R07-M1-N07-J30
Task 3056 of 4096 (2,1,3,3,1,0) R07-M1-N07-J25
Task 3057 of 4096 (2,1,3,3,1,1) R07-M1-N07-J25
Task 3058 of 4096 (2,1,3,3,1,2) R07-M1-N07-J25
Task 3059 of 4096 (2,1,3,3,1,3) R07-M1-N07-J25
Task 3060 of 4096 (2,1,3,3,1,4) R07-M1-N07-J25
Task 3061 of 4096 (2,1,3,3,1,5) R07-M1-N07-J25
Task 3062 of 4096 (2,1,3,3,1,6) R07-M1-N07-J25
Task 3063 of 4096 (2,1,3,3,1,7) R07-M1-N07-J25
Task 3064 of 4096 (2,1,3,3,1,8) R07-M1-N07-J25
Task 3065 of 4096 (2,1,3,3,1,9) R07-M1-N07-J25
Task 3066 of 4096 (2,1,3,3,1,10) R07-M1-N07-J25
Task 3067 of 4096 (2,1,3,3,1,11) R07-M1-N07-J25
Task 3068 of 4096 (2,1,3,3,1,12) R07-M1-N07-J25
Task 3069 of 4096 (2,1,3,3,1,13) R07-M1-N07-J25
Task 3070 of 4096 (2,1,3,3,1,14) R07-M1-N07-J25
Task 3071 of 4096 (2,1,3,3,1,15) R07-M1-N07-J25
Task 3072 of 4096 (3,0,0,0,0,0) R07-M1-N04-J00
Task 3073 of 4096 (3,0,0,0,0,1) R07-M1-N04-J00
Task 3074 of 4096 (3,0,0,0,0,2) R07-M1-N04-J00
Task 3075 of 4096 (3,0,0,0,0,3) R07-M1-N04-J00
Task 3076 of 4096 (3,0,0,0,0,4) R07-M1-N04-J00
Task 3077 of 4096 (3,0,0,0,0,5) R07-M1-N04-J00
Task 3078 of 4096 (3,0,0,0,0,6) R07-M1-N04-J00
Task 3079 of 4096 (3,0,0,0,0,7) R07-M1-N04-J00
Task 3080 of 4096 (3,0,0,0,0,8) R07-M1-N04-J00
Task 3081 of 4096 (3,0,0,0,0,9) R07-M1-N04-J00
Task 3082 of 4096 (3,0,0,0,0,10) R07-M1-N04-J00
Task 3083 of 4096 (3,0,0,0,0,11) R07-M1-N04-J00
Task 3084 of 4096 (3,0,0,0,0,12) R07-M1-N04-J00
Task 3085 of 4096 (3,0,0,0,0,13) R07-M1-N04-J00
Task 3086 of 4096 (3,0,0,0,0,14) R07-M1-N04-J00
Task 3087 of 4096 (3,0,0,0,0,15) R07-M1-N04-J00
Task 3088 of 4096 (3,0,0,0,1,0) R07-M1-N04-J07
Task 3089 of 4096 (3,0,0,0,1,1) R07-M1-N04-J07
Task 3090 of 4096 (3,0,0,0,1,2) R07-M1-N04-J07
Task 3091 of 4096 (3,0,0,0,1,3) R07-M1-N04-J07
Task 3092 of 4096 (3,0,0,0,1,4) R07-M1-N04-J07
Task 3093 of 4096 (3,0,0,0,1,5) R07-M1-N04-J07
Task 3094 of 4096 (3,0,0,0,1,6) R07-M1-N04-J07
Task 3095 of 4096 (3,0,0,0,1,7) R07-M1-N04-J07
Task 3096 of 4096 (3,0,0,0,1,8) R07-M1-N04-J07
Task 3097 of 4096 (3,0,0,0,1,9) R07-M1-N04-J07
Task 3098 of 4096 (3,0,0,0,1,10) R07-M1-N04-J07
Task 3099 of 4096 (3,0,0,0,1,11) R07-M1-N04-J07
Task 3100 of 4096 (3,0,0,0,1,12) R07-M1-N04-J07
Task 3101 of 4096 (3,0,0,0,1,13) R07-M1-N04-J07
Task 3102 of 4096 (3,0,0,0,1,14) R07-M1-N04-J07
Task 3103 of 4096 (3,0,0,0,1,15) R07-M1-N04-J07
Task 3104 of 4096 (3,0,0,1,0,0) R07-M1-N04-J12
Task 3105 of 4096 (3,0,0,1,0,1) R07-M1-N04-J12
Task 3106 of 4096 (3,0,0,1,0,2) R07-M1-N04-J12
Task 3107 of 4096 (3,0,0,1,0,3) R07-M1-N04-J12
Task 3108 of 4096 (3,0,0,1,0,4) R07-M1-N04-J12
Task 3109 of 4096 (3,0,0,1,0,5) R07-M1-N04-J12
Task 3110 of 4096 (3,0,0,1,0,6) R07-M1-N04-J12
Task 3111 of 4096 (3,0,0,1,0,7) R07-M1-N04-J12
Task 3112 of 4096 (3,0,0,1,0,8) R07-M1-N04-J12
Task 3113 of 4096 (3,0,0,1,0,9) R07-M1-N04-J12
Task 3114 of 4096 (3,0,0,1,0,10) R07-M1-N04-J12
Task 3115 of 4096 (3,0,0,1,0,11) R07-M1-N04-J12
Task 3116 of 4096 (3,0,0,1,0,12) R07-M1-N04-J12
Task 3117 of 4096 (3,0,0,1,0,13) R07-M1-N04-J12
Task 3118 of 4096 (3,0,0,1,0,14) R07-M1-N04-J12
Task 3119 of 4096 (3,0,0,1,0,15) R07-M1-N04-J12
Task 3120 of 4096 (3,0,0,1,1,0) R07-M1-N04-J11
Task 3121 of 4096 (3,0,0,1,1,1) R07-M1-N04-J11
Task 3122 of 4096 (3,0,0,1,1,2) R07-M1-N04-J11
Task 3123 of 4096 (3,0,0,1,1,3) R07-M1-N04-J11
Task 3124 of 4096 (3,0,0,1,1,4) R07-M1-N04-J11
Task 3125 of 4096 (3,0,0,1,1,5) R07-M1-N04-J11
Task 3126 of 4096 (3,0,0,1,1,6) R07-M1-N04-J11
Task 3127 of 4096 (3,0,0,1,1,7) R07-M1-N04-J11
Task 3128 of 4096 (3,0,0,1,1,8) R07-M1-N04-J11
Task 3129 of 4096 (3,0,0,1,1,9) R07-M1-N04-J11
Task 3130 of 4096 (3,0,0,1,1,10) R07-M1-N04-J11
Task 3131 of 4096 (3,0,0,1,1,11) R07-M1-N04-J11
Task 3132 of 4096 (3,0,0,1,1,12) R07-M1-N04-J11
Task 3133 of 4096 (3,0,0,1,1,13) R07-M1-N04-J11
Task 3134 of 4096 (3,0,0,1,1,14) R07-M1-N04-J11
Task 3135 of 4096 (3,0,0,1,1,15) R07-M1-N04-J11
Task 3136 of 4096 (3,0,0,2,0,0) R07-M1-N06-J12
Task 3137 of 4096 (3,0,0,2,0,1) R07-M1-N06-J12
Task 3138 of 4096 (3,0,0,2,0,2) R07-M1-N06-J12
Task 3139 of 4096 (3,0,0,2,0,3) R07-M1-N06-J12
Task 3140 of 4096 (3,0,0,2,0,4) R07-M1-N06-J12
Task 3141 of 4096 (3,0,0,2,0,5) R07-M1-N06-J12
Task 3142 of 4096 (3,0,0,2,0,6) R07-M1-N06-J12
Task 3143 of 4096 (3,0,0,2,0,7) R07-M1-N06-J12
Task 3144 of 4096 (3,0,0,2,0,8) R07-M1-N06-J12
Task 3145 of 4096 (3,0,0,2,0,9) R07-M1-N06-J12
Task 3146 of 4096 (3,0,0,2,0,10) R07-M1-N06-J12
Task 3147 of 4096 (3,0,0,2,0,11) R07-M1-N06-J12
Task 3148 of 4096 (3,0,0,2,0,12) R07-M1-N06-J12
Task 3149 of 4096 (3,0,0,2,0,13) R07-M1-N06-J12
Task 3150 of 4096 (3,0,0,2,0,14) R07-M1-N06-J12
Task 3151 of 4096 (3,0,0,2,0,15) R07-M1-N06-J12
Task 3152 of 4096 (3,0,0,2,1,0) R07-M1-N06-J11
Task 3153 of 4096 (3,0,0,2,1,1) R07-M1-N06-J11
Task 3154 of 4096 (3,0,0,2,1,2) R07-M1-N06-J11
Task 3155 of 4096 (3,0,0,2,1,3) R07-M1-N06-J11
Task 3156 of 4096 (3,0,0,2,1,4) R07-M1-N06-J11
Task 3157 of 4096 (3,0,0,2,1,5) R07-M1-N06-J11
Task 3158 of 4096 (3,0,0,2,1,6) R07-M1-N06-J11
Task 3159 of 4096 (3,0,0,2,1,7) R07-M1-N06-J11
Task 3160 of 4096 (3,0,0,2,1,8) R07-M1-N06-J11
Task 3161 of 4096 (3,0,0,2,1,9) R07-M1-N06-J11
Task 3162 of 4096 (3,0,0,2,1,10) R07-M1-N06-J11
Task 3163 of 4096 (3,0,0,2,1,11) R07-M1-N06-J11
Task 3164 of 4096 (3,0,0,2,1,12) R07-M1-N06-J11
Task 3165 of 4096 (3,0,0,2,1,13) R07-M1-N06-J11
Task 3166 of 4096 (3,0,0,2,1,14) R07-M1-N06-J11
Task 3167 of 4096 (3,0,0,2,1,15) R07-M1-N06-J11
Task 3168 of 4096 (3,0,0,3,0,0) R07-M1-N06-J00
Task 3169 of 4096 (3,0,0,3,0,1) R07-M1-N06-J00
Task 3170 of 4096 (3,0,0,3,0,2) R07-M1-N06-J00
Task 3171 of 4096 (3,0,0,3,0,3) R07-M1-N06-J00
Task 3172 of 4096 (3,0,0,3,0,4) R07-M1-N06-J00
Task 3173 of 4096 (3,0,0,3,0,5) R07-M1-N06-J00
Task 3174 of 4096 (3,0,0,3,0,6) R07-M1-N06-J00
Task 3175 of 4096 (3,0,0,3,0,7) R07-M1-N06-J00
Task 3176 of 4096 (3,0,0,3,0,8) R07-M1-N06-J00
Task 3177 of 4096 (3,0,0,3,0,9) R07-M1-N06-J00
Task 3178 of 4096 (3,0,0,3,0,10) R07-M1-N06-J00
Task 3179 of 4096 (3,0,0,3,0,11) R07-M1-N06-J00
Task 3180 of 4096 (3,0,0,3,0,12) R07-M1-N06-J00
Task 3181 of 4096 (3,0,0,3,0,13) R07-M1-N06-J00
Task 3182 of 4096 (3,0,0,3,0,14) R07-M1-N06-J00
Task 3183 of 4096 (3,0,0,3,0,15) R07-M1-N06-J00
Task 3184 of 4096 (3,0,0,3,1,0) R07-M1-N06-J07
Task 3185 of 4096 (3,0,0,3,1,1) R07-M1-N06-J07
Task 3186 of 4096 (3,0,0,3,1,2) R07-M1-N06-J07
Task 3187 of 4096 (3,0,0,3,1,3) R07-M1-N06-J07
Task 3188 of 4096 (3,0,0,3,1,4) R07-M1-N06-J07
Task 3189 of 4096 (3,0,0,3,1,5) R07-M1-N06-J07
Task 3190 of 4096 (3,0,0,3,1,6) R07-M1-N06-J07
Task 3191 of 4096 (3,0,0,3,1,7) R07-M1-N06-J07
Task 3192 of 4096 (3,0,0,3,1,8) R07-M1-N06-J07
Task 3193 of 4096 (3,0,0,3,1,9) R07-M1-N06-J07
Task 3194 of 4096 (3,0,0,3,1,10) R07-M1-N06-J07
Task 3195 of 4096 (3,0,0,3,1,11) R07-M1-N06-J07
Task 3196 of 4096 (3,0,0,3,1,12) R07-M1-N06-J07
Task 3197 of 4096 (3,0,0,3,1,13) R07-M1-N06-J07
Task 3198 of 4096 (3,0,0,3,1,14) R07-M1-N06-J07
Task 3199 of 4096 (3,0,0,3,1,15) R07-M1-N06-J07
Task 3200 of 4096 (3,0,1,0,0,0) R07-M1-N04-J01
Task 3201 of 4096 (3,0,1,0,0,1) R07-M1-N04-J01
Task 3202 of 4096 (3,0,1,0,0,2) R07-M1-N04-J01
Task 3203 of 4096 (3,0,1,0,0,3) R07-M1-N04-J01
Task 3204 of 4096 (3,0,1,0,0,4) R07-M1-N04-J01
Task 3205 of 4096 (3,0,1,0,0,5) R07-M1-N04-J01
Task 3206 of 4096 (3,0,1,0,0,6) R07-M1-N04-J01
Task 3207 of 4096 (3,0,1,0,0,7) R07-M1-N04-J01
Task 3208 of 4096 (3,0,1,0,0,8) R07-M1-N04-J01
Task 3209 of 4096 (3,0,1,0,0,9) R07-M1-N04-J01
Task 3210 of 4096 (3,0,1,0,0,10) R07-M1-N04-J01
Task 3211 of 4096 (3,0,1,0,0,11) R07-M1-N04-J01
Task 3212 of 4096 (3,0,1,0,0,12) R07-M1-N04-J01
Task 3213 of 4096 (3,0,1,0,0,13) R07-M1-N04-J01
Task 3214 of 4096 (3,0,1,0,0,14) R07-M1-N04-J01
Task 3215 of 4096 (3,0,1,0,0,15) R07-M1-N04-J01
Task 3216 of 4096 (3,0,1,0,1,0) R07-M1-N04-J06
Task 3217 of 4096 (3,0,1,0,1,1) R07-M1-N04-J06
Task 3218 of 4096 (3,0,1,0,1,2) R07-M1-N04-J06
Task 3219 of 4096 (3,0,1,0,1,3) R07-M1-N04-J06
Task 3220 of 4096 (3,0,1,0,1,4) R07-M1-N04-J06
Task 3221 of 4096 (3,0,1,0,1,5) R07-M1-N04-J06
Task 3222 of 4096 (3,0,1,0,1,6) R07-M1-N04-J06
Task 3223 of 4096 (3,0,1,0,1,7) R07-M1-N04-J06
Task 3224 of 4096 (3,0,1,0,1,8) R07-M1-N04-J06
Task 3225 of 4096 (3,0,1,0,1,9) R07-M1-N04-J06
Task 3226 of 4096 (3,0,1,0,1,10) R07-M1-N04-J06
Task 3227 of 4096 (3,0,1,0,1,11) R07-M1-N04-J06
Task 3228 of 4096 (3,0,1,0,1,12) R07-M1-N04-J06
Task 3229 of 4096 (3,0,1,0,1,13) R07-M1-N04-J06
Task 3230 of 4096 (3,0,1,0,1,14) R07-M1-N04-J06
Task 3231 of 4096 (3,0,1,0,1,15) R07-M1-N04-J06
Task 3232 of 4096 (3,0,1,1,0,0) R07-M1-N04-J13
Task 3233 of 4096 (3,0,1,1,0,1) R07-M1-N04-J13
Task 3234 of 4096 (3,0,1,1,0,2) R07-M1-N04-J13
Task 3235 of 4096 (3,0,1,1,0,3) R07-M1-N04-J13
Task 3236 of 4096 (3,0,1,1,0,4) R07-M1-N04-J13
Task 3237 of 4096 (3,0,1,1,0,5) R07-M1-N04-J13
Task 3238 of 4096 (3,0,1,1,0,6) R07-M1-N04-J13
Task 3239 of 4096 (3,0,1,1,0,7) R07-M1-N04-J13
Task 3240 of 4096 (3,0,1,1,0,8) R07-M1-N04-J13
Task 3241 of 4096 (3,0,1,1,0,9) R07-M1-N04-J13
Task 3242 of 4096 (3,0,1,1,0,10) R07-M1-N04-J13
Task 3243 of 4096 (3,0,1,1,0,11) R07-M1-N04-J13
Task 3244 of 4096 (3,0,1,1,0,12) R07-M1-N04-J13
Task 3245 of 4096 (3,0,1,1,0,13) R07-M1-N04-J13
Task 3246 of 4096 (3,0,1,1,0,14) R07-M1-N04-J13
Task 3247 of 4096 (3,0,1,1,0,15) R07-M1-N04-J13
Task 3248 of 4096 (3,0,1,1,1,0) R07-M1-N04-J10
Task 3249 of 4096 (3,0,1,1,1,1) R07-M1-N04-J10
Task 3250 of 4096 (3,0,1,1,1,2) R07-M1-N04-J10
Task 3251 of 4096 (3,0,1,1,1,3) R07-M1-N04-J10
Task 3252 of 4096 (3,0,1,1,1,4) R07-M1-N04-J10
Task 3253 of 4096 (3,0,1,1,1,5) R07-M1-N04-J10
Task 3254 of 4096 (3,0,1,1,1,6) R07-M1-N04-J10
Task 3255 of 4096 (3,0,1,1,1,7) R07-M1-N04-J10
Task 3256 of 4096 (3,0,1,1,1,8) R07-M1-N04-J10
Task 3257 of 4096 (3,0,1,1,1,9) R07-M1-N04-J10
Task 3258 of 4096 (3,0,1,1,1,10) R07-M1-N04-J10
Task 3259 of 4096 (3,0,1,1,1,11) R07-M1-N04-J10
Task 3260 of 4096 (3,0,1,1,1,12) R07-M1-N04-J10
Task 3261 of 4096 (3,0,1,1,1,13) R07-M1-N04-J10
Task 3262 of 4096 (3,0,1,1,1,14) R07-M1-N04-J10
Task 3263 of 4096 (3,0,1,1,1,15) R07-M1-N04-J10
Task 3264 of 4096 (3,0,1,2,0,0) R07-M1-N06-J13
Task 3265 of 4096 (3,0,1,2,0,1) R07-M1-N06-J13
Task 3266 of 4096 (3,0,1,2,0,2) R07-M1-N06-J13
Task 3267 of 4096 (3,0,1,2,0,3) R07-M1-N06-J13
Task 3268 of 4096 (3,0,1,2,0,4) R07-M1-N06-J13
Task 3269 of 4096 (3,0,1,2,0,5) R07-M1-N06-J13
Task 3270 of 4096 (3,0,1,2,0,6) R07-M1-N06-J13
Task 3271 of 4096 (3,0,1,2,0,7) R07-M1-N06-J13
Task 3272 of 4096 (3,0,1,2,0,8) R07-M1-N06-J13
Task 3273 of 4096 (3,0,1,2,0,9) R07-M1-N06-J13
Task 3274 of 4096 (3,0,1,2,0,10) R07-M1-N06-J13
Task 3275 of 4096 (3,0,1,2,0,11) R07-M1-N06-J13
Task 3276 of 4096 (3,0,1,2,0,12) R07-M1-N06-J13
Task 3277 of 4096 (3,0,1,2,0,13) R07-M1-N06-J13
Task 3278 of 4096 (3,0,1,2,0,14) R07-M1-N06-J13
Task 3279 of 4096 (3,0,1,2,0,15) R07-M1-N06-J13
Task 3280 of 4096 (3,0,1,2,1,0) R07-M1-N06-J10
Task 3281 of 4096 (3,0,1,2,1,1) R07-M1-N06-J10
Task 3282 of 4096 (3,0,1,2,1,2) R07-M1-N06-J10
Task 3283 of 4096 (3,0,1,2,1,3) R07-M1-N06-J10
Task 3284 of 4096 (3,0,1,2,1,4) R07-M1-N06-J10
Task 3285 of 4096 (3,0,1,2,1,5) R07-M1-N06-J10
Task 3286 of 4096 (3,0,1,2,1,6) R07-M1-N06-J10
Task 3287 of 4096 (3,0,1,2,1,7) R07-M1-N06-J10
Task 3288 of 4096 (3,0,1,2,1,8) R07-M1-N06-J10
Task 3289 of 4096 (3,0,1,2,1,9) R07-M1-N06-J10
Task 3290 of 4096 (3,0,1,2,1,10) R07-M1-N06-J10
Task 3291 of 4096 (3,0,1,2,1,11) R07-M1-N06-J10
Task 3292 of 4096 (3,0,1,2,1,12) R07-M1-N06-J10
Task 3293 of 4096 (3,0,1,2,1,13) R07-M1-N06-J10
Task 3294 of 4096 (3,0,1,2,1,14) R07-M1-N06-J10
Task 3295 of 4096 (3,0,1,2,1,15) R07-M1-N06-J10
Task 3296 of 4096 (3,0,1,3,0,0) R07-M1-N06-J01
Task 3297 of 4096 (3,0,1,3,0,1) R07-M1-N06-J01
Task 3298 of 4096 (3,0,1,3,0,2) R07-M1-N06-J01
Task 3299 of 4096 (3,0,1,3,0,3) R07-M1-N06-J01
Task 3300 of 4096 (3,0,1,3,0,4) R07-M1-N06-J01
Task 3301 of 4096 (3,0,1,3,0,5) R07-M1-N06-J01
Task 3302 of 4096 (3,0,1,3,0,6) R07-M1-N06-J01
Task 3303 of 4096 (3,0,1,3,0,7) R07-M1-N06-J01
Task 3304 of 4096 (3,0,1,3,0,8) R07-M1-N06-J01
Task 3305 of 4096 (3,0,1,3,0,9) R07-M1-N06-J01
Task 3306 of 4096 (3,0,1,3,0,10) R07-M1-N06-J01
Task 3307 of 4096 (3,0,1,3,0,11) R07-M1-N06-J01
Task 3308 of 4096 (3,0,1,3,0,12) R07-M1-N06-J01
Task 3309 of 4096 (3,0,1,3,0,13) R07-M1-N06-J01
Task 3310 of 4096 (3,0,1,3,0,14) R07-M1-N06-J01
Task 3311 of 4096 (3,0,1,3,0,15) R07-M1-N06-J01
Task 3312 of 4096 (3,0,1,3,1,0) R07-M1-N06-J06
Task 3313 of 4096 (3,0,1,3,1,1) R07-M1-N06-J06
Task 3314 of 4096 (3,0,1,3,1,2) R07-M1-N06-J06
Task 3315 of 4096 (3,0,1,3,1,3) R07-M1-N06-J06
Task 3316 of 4096 (3,0,1,3,1,4) R07-M1-N06-J06
Task 3317 of 4096 (3,0,1,3,1,5) R07-M1-N06-J06
Task 3318 of 4096 (3,0,1,3,1,6) R07-M1-N06-J06
Task 3319 of 4096 (3,0,1,3,1,7) R07-M1-N06-J06
Task 3320 of 4096 (3,0,1,3,1,8) R07-M1-N06-J06
Task 3321 of 4096 (3,0,1,3,1,9) R07-M1-N06-J06
Task 3322 of 4096 (3,0,1,3,1,10) R07-M1-N06-J06
Task 3323 of 4096 (3,0,1,3,1,11) R07-M1-N06-J06
Task 3324 of 4096 (3,0,1,3,1,12) R07-M1-N06-J06
Task 3325 of 4096 (3,0,1,3,1,13) R07-M1-N06-J06
Task 3326 of 4096 (3,0,1,3,1,14) R07-M1-N06-J06
Task 3327 of 4096 (3,0,1,3,1,15) R07-M1-N06-J06
Task 3328 of 4096 (3,0,2,0,0,0) R07-M1-N05-J01
Task 3329 of 4096 (3,0,2,0,0,1) R07-M1-N05-J01
Task 3330 of 4096 (3,0,2,0,0,2) R07-M1-N05-J01
Task 3331 of 4096 (3,0,2,0,0,3) R07-M1-N05-J01
Task 3332 of 4096 (3,0,2,0,0,4) R07-M1-N05-J01
Task 3333 of 4096 (3,0,2,0,0,5) R07-M1-N05-J01
Task 3334 of 4096 (3,0,2,0,0,6) R07-M1-N05-J01
Task 3335 of 4096 (3,0,2,0,0,7) R07-M1-N05-J01
Task 3336 of 4096 (3,0,2,0,0,8) R07-M1-N05-J01
Task 3337 of 4096 (3,0,2,0,0,9) R07-M1-N05-J01
Task 3338 of 4096 (3,0,2,0,0,10) R07-M1-N05-J01
Task 3339 of 4096 (3,0,2,0,0,11) R07-M1-N05-J01
Task 3340 of 4096 (3,0,2,0,0,12) R07-M1-N05-J01
Task 3341 of 4096 (3,0,2,0,0,13) R07-M1-N05-J01
Task 3342 of 4096 (3,0,2,0,0,14) R07-M1-N05-J01
Task 3343 of 4096 (3,0,2,0,0,15) R07-M1-N05-J01
Task 3344 of 4096 (3,0,2,0,1,0) R07-M1-N05-J06
Task 3345 of 4096 (3,0,2,0,1,1) R07-M1-N05-J06
Task 3346 of 4096 (3,0,2,0,1,2) R07-M1-N05-J06
Task 3347 of 4096 (3,0,2,0,1,3) R07-M1-N05-J06
Task 3348 of 4096 (3,0,2,0,1,4) R07-M1-N05-J06
Task 3349 of 4096 (3,0,2,0,1,5) R07-M1-N05-J06
Task 3350 of 4096 (3,0,2,0,1,6) R07-M1-N05-J06
Task 3351 of 4096 (3,0,2,0,1,7) R07-M1-N05-J06
Task 3352 of 4096 (3,0,2,0,1,8) R07-M1-N05-J06
Task 3353 of 4096 (3,0,2,0,1,9) R07-M1-N05-J06
Task 3354 of 4096 (3,0,2,0,1,10) R07-M1-N05-J06
Task 3355 of 4096 (3,0,2,0,1,11) R07-M1-N05-J06
Task 3356 of 4096 (3,0,2,0,1,12) R07-M1-N05-J06
Task 3357 of 4096 (3,0,2,0,1,13) R07-M1-N05-J06
Task 3358 of 4096 (3,0,2,0,1,14) R07-M1-N05-J06
Task 3359 of 4096 (3,0,2,0,1,15) R07-M1-N05-J06
Task 3360 of 4096 (3,0,2,1,0,0) R07-M1-N05-J13
Task 3361 of 4096 (3,0,2,1,0,1) R07-M1-N05-J13
Task 3362 of 4096 (3,0,2,1,0,2) R07-M1-N05-J13
Task 3363 of 4096 (3,0,2,1,0,3) R07-M1-N05-J13
Task 3364 of 4096 (3,0,2,1,0,4) R07-M1-N05-J13
Task 3365 of 4096 (3,0,2,1,0,5) R07-M1-N05-J13
Task 3366 of 4096 (3,0,2,1,0,6) R07-M1-N05-J13
Task 3367 of 4096 (3,0,2,1,0,7) R07-M1-N05-J13
Task 3368 of 4096 (3,0,2,1,0,8) R07-M1-N05-J13
Task 3369 of 4096 (3,0,2,1,0,9) R07-M1-N05-J13
Task 3370 of 4096 (3,0,2,1,0,10) R07-M1-N05-J13
Task 3371 of 4096 (3,0,2,1,0,11) R07-M1-N05-J13
Task 3372 of 4096 (3,0,2,1,0,12) R07-M1-N05-J13
Task 3373 of 4096 (3,0,2,1,0,13) R07-M1-N05-J13
Task 3374 of 4096 (3,0,2,1,0,14) R07-M1-N05-J13
Task 3375 of 4096 (3,0,2,1,0,15) R07-M1-N05-J13
Task 3376 of 4096 (3,0,2,1,1,0) R07-M1-N05-J10
Task 3377 of 4096 (3,0,2,1,1,1) R07-M1-N05-J10
Task 3378 of 4096 (3,0,2,1,1,2) R07-M1-N05-J10
Task 3379 of 4096 (3,0,2,1,1,3) R07-M1-N05-J10
Task 3380 of 4096 (3,0,2,1,1,4) R07-M1-N05-J10
Task 3381 of 4096 (3,0,2,1,1,5) R07-M1-N05-J10
Task 3382 of 4096 (3,0,2,1,1,6) R07-M1-N05-J10
Task 3383 of 4096 (3,0,2,1,1,7) R07-M1-N05-J10
Task 3384 of 4096 (3,0,2,1,1,8) R07-M1-N05-J10
Task 3385 of 4096 (3,0,2,1,1,9) R07-M1-N05-J10
Task 3386 of 4096 (3,0,2,1,1,10) R07-M1-N05-J10
Task 3387 of 4096 (3,0,2,1,1,11) R07-M1-N05-J10
Task 3388 of 4096 (3,0,2,1,1,12) R07-M1-N05-J10
Task 3389 of 4096 (3,0,2,1,1,13) R07-M1-N05-J10
Task 3390 of 4096 (3,0,2,1,1,14) R07-M1-N05-J10
Task 3391 of 4096 (3,0,2,1,1,15) R07-M1-N05-J10
Task 3392 of 4096 (3,0,2,2,0,0) R07-M1-N07-J13
Task 3393 of 4096 (3,0,2,2,0,1) R07-M1-N07-J13
Task 3394 of 4096 (3,0,2,2,0,2) R07-M1-N07-J13
Task 3395 of 4096 (3,0,2,2,0,3) R07-M1-N07-J13
Task 3396 of 4096 (3,0,2,2,0,4) R07-M1-N07-J13
Task 3397 of 4096 (3,0,2,2,0,5) R07-M1-N07-J13
Task 3398 of 4096 (3,0,2,2,0,6) R07-M1-N07-J13
Task 3399 of 4096 (3,0,2,2,0,7) R07-M1-N07-J13
Task 3400 of 4096 (3,0,2,2,0,8) R07-M1-N07-J13
Task 3401 of 4096 (3,0,2,2,0,9) R07-M1-N07-J13
Task 3402 of 4096 (3,0,2,2,0,10) R07-M1-N07-J13
Task 3403 of 4096 (3,0,2,2,0,11) R07-M1-N07-J13
Task 3404 of 4096 (3,0,2,2,0,12) R07-M1-N07-J13
Task 3405 of 4096 (3,0,2,2,0,13) R07-M1-N07-J13
Task 3406 of 4096 (3,0,2,2,0,14) R07-M1-N07-J13
Task 3407 of 4096 (3,0,2,2,0,15) R07-M1-N07-J13
Task 3408 of 4096 (3,0,2,2,1,0) R07-M1-N07-J10
Task 3409 of 4096 (3,0,2,2,1,1) R07-M1-N07-J10
Task 3410 of 4096 (3,0,2,2,1,2) R07-M1-N07-J10
Task 3411 of 4096 (3,0,2,2,1,3) R07-M1-N07-J10
Task 3412 of 4096 (3,0,2,2,1,4) R07-M1-N07-J10
Task 3413 of 4096 (3,0,2,2,1,5) R07-M1-N07-J10
Task 3414 of 4096 (3,0,2,2,1,6) R07-M1-N07-J10
Task 3415 of 4096 (3,0,2,2,1,7) R07-M1-N07-J10
Task 3416 of 4096 (3,0,2,2,1,8) R07-M1-N07-J10
Task 3417 of 4096 (3,0,2,2,1,9) R07-M1-N07-J10
Task 3418 of 4096 (3,0,2,2,1,10) R07-M1-N07-J10
Task 3419 of 4096 (3,0,2,2,1,11) R07-M1-N07-J10
Task 3420 of 4096 (3,0,2,2,1,12) R07-M1-N07-J10
Task 3421 of 4096 (3,0,2,2,1,13) R07-M1-N07-J10
Task 3422 of 4096 (3,0,2,2,1,14) R07-M1-N07-J10
Task 3423 of 4096 (3,0,2,2,1,15) R07-M1-N07-J10
Task 3424 of 4096 (3,0,2,3,0,0) R07-M1-N07-J01
Task 3425 of 4096 (3,0,2,3,0,1) R07-M1-N07-J01
Task 3426 of 4096 (3,0,2,3,0,2) R07-M1-N07-J01
Task 3427 of 4096 (3,0,2,3,0,3) R07-M1-N07-J01
Task 3428 of 4096 (3,0,2,3,0,4) R07-M1-N07-J01
Task 3429 of 4096 (3,0,2,3,0,5) R07-M1-N07-J01
Task 3430 of 4096 (3,0,2,3,0,6) R07-M1-N07-J01
Task 3431 of 4096 (3,0,2,3,0,7) R07-M1-N07-J01
Task 3432 of 4096 (3,0,2,3,0,8) R07-M1-N07-J01
Task 3433 of 4096 (3,0,2,3,0,9) R07-M1-N07-J01
Task 3434 of 4096 (3,0,2,3,0,10) R07-M1-N07-J01
Task 3435 of 4096 (3,0,2,3,0,11) R07-M1-N07-J01
Task 3436 of 4096 (3,0,2,3,0,12) R07-M1-N07-J01
Task 3437 of 4096 (3,0,2,3,0,13) R07-M1-N07-J01
Task 3438 of 4096 (3,0,2,3,0,14) R07-M1-N07-J01
Task 3439 of 4096 (3,0,2,3,0,15) R07-M1-N07-J01
Task 3440 of 4096 (3,0,2,3,1,0) R07-M1-N07-J06
Task 3441 of 4096 (3,0,2,3,1,1) R07-M1-N07-J06
Task 3442 of 4096 (3,0,2,3,1,2) R07-M1-N07-J06
Task 3443 of 4096 (3,0,2,3,1,3) R07-M1-N07-J06
Task 3444 of 4096 (3,0,2,3,1,4) R07-M1-N07-J06
Task 3445 of 4096 (3,0,2,3,1,5) R07-M1-N07-J06
Task 3446 of 4096 (3,0,2,3,1,6) R07-M1-N07-J06
Task 3447 of 4096 (3,0,2,3,1,7) R07-M1-N07-J06
Task 3448 of 4096 (3,0,2,3,1,8) R07-M1-N07-J06
Task 3449 of 4096 (3,0,2,3,1,9) R07-M1-N07-J06
Task 3450 of 4096 (3,0,2,3,1,10) R07-M1-N07-J06
Task 3451 of 4096 (3,0,2,3,1,11) R07-M1-N07-J06
Task 3452 of 4096 (3,0,2,3,1,12) R07-M1-N07-J06
Task 3453 of 4096 (3,0,2,3,1,13) R07-M1-N07-J06
Task 3454 of 4096 (3,0,2,3,1,14) R07-M1-N07-J06
Task 3455 of 4096 (3,0,2,3,1,15) R07-M1-N07-J06
Task 3456 of 4096 (3,0,3,0,0,0) R07-M1-N05-J00
Task 3457 of 4096 (3,0,3,0,0,1) R07-M1-N05-J00
Task 3458 of 4096 (3,0,3,0,0,2) R07-M1-N05-J00
Task 3459 of 4096 (3,0,3,0,0,3) R07-M1-N05-J00
Task 3460 of 4096 (3,0,3,0,0,4) R07-M1-N05-J00
Task 3461 of 4096 (3,0,3,0,0,5) R07-M1-N05-J00
Task 3462 of 4096 (3,0,3,0,0,6) R07-M1-N05-J00
Task 3463 of 4096 (3,0,3,0,0,7) R07-M1-N05-J00
Task 3464 of 4096 (3,0,3,0,0,8) R07-M1-N05-J00
Task 3465 of 4096 (3,0,3,0,0,9) R07-M1-N05-J00
Task 3466 of 4096 (3,0,3,0,0,10) R07-M1-N05-J00
Task 3467 of 4096 (3,0,3,0,0,11) R07-M1-N05-J00
Task 3468 of 4096 (3,0,3,0,0,12) R07-M1-N05-J00
Task 3469 of 4096 (3,0,3,0,0,13) R07-M1-N05-J00
Task 3470 of 4096 (3,0,3,0,0,14) R07-M1-N05-J00
Task 3471 of 4096 (3,0,3,0,0,15) R07-M1-N05-J00
Task 3472 of 4096 (3,0,3,0,1,0) R07-M1-N05-J07
Task 3473 of 4096 (3,0,3,0,1,1) R07-M1-N05-J07
Task 3474 of 4096 (3,0,3,0,1,2) R07-M1-N05-J07
Task 3475 of 4096 (3,0,3,0,1,3) R07-M1-N05-J07
Task 3476 of 4096 (3,0,3,0,1,4) R07-M1-N05-J07
Task 3477 of 4096 (3,0,3,0,1,5) R07-M1-N05-J07
Task 3478 of 4096 (3,0,3,0,1,6) R07-M1-N05-J07
Task 3479 of 4096 (3,0,3,0,1,7) R07-M1-N05-J07
Task 3480 of 4096 (3,0,3,0,1,8) R07-M1-N05-J07
Task 3481 of 4096 (3,0,3,0,1,9) R07-M1-N05-J07
Task 3482 of 4096 (3,0,3,0,1,10) R07-M1-N05-J07
Task 3483 of 4096 (3,0,3,0,1,11) R07-M1-N05-J07
Task 3484 of 4096 (3,0,3,0,1,12) R07-M1-N05-J07
Task 3485 of 4096 (3,0,3,0,1,13) R07-M1-N05-J07
Task 3486 of 4096 (3,0,3,0,1,14) R07-M1-N05-J07
Task 3487 of 4096 (3,0,3,0,1,15) R07-M1-N05-J07
Task 3488 of 4096 (3,0,3,1,0,0) R07-M1-N05-J12
Task 3489 of 4096 (3,0,3,1,0,1) R07-M1-N05-J12
Task 3490 of 4096 (3,0,3,1,0,2) R07-M1-N05-J12
Task 3491 of 4096 (3,0,3,1,0,3) R07-M1-N05-J12
Task 3492 of 4096 (3,0,3,1,0,4) R07-M1-N05-J12
Task 3493 of 4096 (3,0,3,1,0,5) R07-M1-N05-J12
Task 3494 of 4096 (3,0,3,1,0,6) R07-M1-N05-J12
Task 3495 of 4096 (3,0,3,1,0,7) R07-M1-N05-J12
Task 3496 of 4096 (3,0,3,1,0,8) R07-M1-N05-J12
Task 3497 of 4096 (3,0,3,1,0,9) R07-M1-N05-J12
Task 3498 of 4096 (3,0,3,1,0,10) R07-M1-N05-J12
Task 3499 of 4096 (3,0,3,1,0,11) R07-M1-N05-J12
Task 3500 of 4096 (3,0,3,1,0,12) R07-M1-N05-J12
Task 3501 of 4096 (3,0,3,1,0,13) R07-M1-N05-J12
Task 3502 of 4096 (3,0,3,1,0,14) R07-M1-N05-J12
Task 3503 of 4096 (3,0,3,1,0,15) R07-M1-N05-J12
Task 3504 of 4096 (3,0,3,1,1,0) R07-M1-N05-J11
Task 3505 of 4096 (3,0,3,1,1,1) R07-M1-N05-J11
Task 3506 of 4096 (3,0,3,1,1,2) R07-M1-N05-J11
Task 3507 of 4096 (3,0,3,1,1,3) R07-M1-N05-J11
Task 3508 of 4096 (3,0,3,1,1,4) R07-M1-N05-J11
Task 3509 of 4096 (3,0,3,1,1,5) R07-M1-N05-J11
Task 3510 of 4096 (3,0,3,1,1,6) R07-M1-N05-J11
Task 3511 of 4096 (3,0,3,1,1,7) R07-M1-N05-J11
Task 3512 of 4096 (3,0,3,1,1,8) R07-M1-N05-J11
Task 3513 of 4096 (3,0,3,1,1,9) R07-M1-N05-J11
Task 3514 of 4096 (3,0,3,1,1,10) R07-M1-N05-J11
Task 3515 of 4096 (3,0,3,1,1,11) R07-M1-N05-J11
Task 3516 of 4096 (3,0,3,1,1,12) R07-M1-N05-J11
Task 3517 of 4096 (3,0,3,1,1,13) R07-M1-N05-J11
Task 3518 of 4096 (3,0,3,1,1,14) R07-M1-N05-J11
Task 3519 of 4096 (3,0,3,1,1,15) R07-M1-N05-J11
Task 3520 of 4096 (3,0,3,2,0,0) R07-M1-N07-J12
Task 3521 of 4096 (3,0,3,2,0,1) R07-M1-N07-J12
Task 3522 of 4096 (3,0,3,2,0,2) R07-M1-N07-J12
Task 3523 of 4096 (3,0,3,2,0,3) R07-M1-N07-J12
Task 3524 of 4096 (3,0,3,2,0,4) R07-M1-N07-J12
Task 3525 of 4096 (3,0,3,2,0,5) R07-M1-N07-J12
Task 3526 of 4096 (3,0,3,2,0,6) R07-M1-N07-J12
Task 3527 of 4096 (3,0,3,2,0,7) R07-M1-N07-J12
Task 3528 of 4096 (3,0,3,2,0,8) R07-M1-N07-J12
Task 3529 of 4096 (3,0,3,2,0,9) R07-M1-N07-J12
Task 3530 of 4096 (3,0,3,2,0,10) R07-M1-N07-J12
Task 3531 of 4096 (3,0,3,2,0,11) R07-M1-N07-J12
Task 3532 of 4096 (3,0,3,2,0,12) R07-M1-N07-J12
Task 3533 of 4096 (3,0,3,2,0,13) R07-M1-N07-J12
Task 3534 of 4096 (3,0,3,2,0,14) R07-M1-N07-J12
Task 3535 of 4096 (3,0,3,2,0,15) R07-M1-N07-J12
Task 3536 of 4096 (3,0,3,2,1,0) R07-M1-N07-J11
Task 3537 of 4096 (3,0,3,2,1,1) R07-M1-N07-J11
Task 3538 of 4096 (3,0,3,2,1,2) R07-M1-N07-J11
Task 3539 of 4096 (3,0,3,2,1,3) R07-M1-N07-J11
Task 3540 of 4096 (3,0,3,2,1,4) R07-M1-N07-J11
Task 3541 of 4096 (3,0,3,2,1,5) R07-M1-N07-J11
Task 3542 of 4096 (3,0,3,2,1,6) R07-M1-N07-J11
Task 3543 of 4096 (3,0,3,2,1,7) R07-M1-N07-J11
Task 3544 of 4096 (3,0,3,2,1,8) R07-M1-N07-J11
Task 3545 of 4096 (3,0,3,2,1,9) R07-M1-N07-J11
Task 3546 of 4096 (3,0,3,2,1,10) R07-M1-N07-J11
Task 3547 of 4096 (3,0,3,2,1,11) R07-M1-N07-J11
Task 3548 of 4096 (3,0,3,2,1,12) R07-M1-N07-J11
Task 3549 of 4096 (3,0,3,2,1,13) R07-M1-N07-J11
Task 3550 of 4096 (3,0,3,2,1,14) R07-M1-N07-J11
Task 3551 of 4096 (3,0,3,2,1,15) R07-M1-N07-J11
Task 3552 of 4096 (3,0,3,3,0,0) R07-M1-N07-J00
Task 3553 of 4096 (3,0,3,3,0,1) R07-M1-N07-J00
Task 3554 of 4096 (3,0,3,3,0,2) R07-M1-N07-J00
Task 3555 of 4096 (3,0,3,3,0,3) R07-M1-N07-J00
Task 3556 of 4096 (3,0,3,3,0,4) R07-M1-N07-J00
Task 3557 of 4096 (3,0,3,3,0,5) R07-M1-N07-J00
Task 3558 of 4096 (3,0,3,3,0,6) R07-M1-N07-J00
Task 3559 of 4096 (3,0,3,3,0,7) R07-M1-N07-J00
Task 3560 of 4096 (3,0,3,3,0,8) R07-M1-N07-J00
Task 3561 of 4096 (3,0,3,3,0,9) R07-M1-N07-J00
Task 3562 of 4096 (3,0,3,3,0,10) R07-M1-N07-J00
Task 3563 of 4096 (3,0,3,3,0,11) R07-M1-N07-J00
Task 3564 of 4096 (3,0,3,3,0,12) R07-M1-N07-J00
Task 3565 of 4096 (3,0,3,3,0,13) R07-M1-N07-J00
Task 3566 of 4096 (3,0,3,3,0,14) R07-M1-N07-J00
Task 3567 of 4096 (3,0,3,3,0,15) R07-M1-N07-J00
Task 3568 of 4096 (3,0,3,3,1,0) R07-M1-N07-J07
Task 3569 of 4096 (3,0,3,3,1,1) R07-M1-N07-J07
Task 3570 of 4096 (3,0,3,3,1,2) R07-M1-N07-J07
Task 3571 of 4096 (3,0,3,3,1,3) R07-M1-N07-J07
Task 3572 of 4096 (3,0,3,3,1,4) R07-M1-N07-J07
Task 3573 of 4096 (3,0,3,3,1,5) R07-M1-N07-J07
Task 3574 of 4096 (3,0,3,3,1,6) R07-M1-N07-J07
Task 3575 of 4096 (3,0,3,3,1,7) R07-M1-N07-J07
Task 3576 of 4096 (3,0,3,3,1,8) R07-M1-N07-J07
Task 3577 of 4096 (3,0,3,3,1,9) R07-M1-N07-J07
Task 3578 of 4096 (3,0,3,3,1,10) R07-M1-N07-J07
Task 3579 of 4096 (3,0,3,3,1,11) R07-M1-N07-J07
Task 3580 of 4096 (3,0,3,3,1,12) R07-M1-N07-J07
Task 3581 of 4096 (3,0,3,3,1,13) R07-M1-N07-J07
Task 3582 of 4096 (3,0,3,3,1,14) R07-M1-N07-J07
Task 3583 of 4096 (3,0,3,3,1,15) R07-M1-N07-J07
Task 3584 of 4096 (3,1,0,0,0,0) R07-M1-N04-J03
Task 3585 of 4096 (3,1,0,0,0,1) R07-M1-N04-J03
Task 3586 of 4096 (3,1,0,0,0,2) R07-M1-N04-J03
Task 3587 of 4096 (3,1,0,0,0,3) R07-M1-N04-J03
Task 3588 of 4096 (3,1,0,0,0,4) R07-M1-N04-J03
Task 3589 of 4096 (3,1,0,0,0,5) R07-M1-N04-J03
Task 3590 of 4096 (3,1,0,0,0,6) R07-M1-N04-J03
Task 3591 of 4096 (3,1,0,0,0,7) R07-M1-N04-J03
Task 3592 of 4096 (3,1,0,0,0,8) R07-M1-N04-J03
Task 3593 of 4096 (3,1,0,0,0,9) R07-M1-N04-J03
Task 3594 of 4096 (3,1,0,0,0,10) R07-M1-N04-J03
Task 3595 of 4096 (3,1,0,0,0,11) R07-M1-N04-J03
Task 3596 of 4096 (3,1,0,0,0,12) R07-M1-N04-J03
Task 3597 of 4096 (3,1,0,0,0,13) R07-M1-N04-J03
Task 3598 of 4096 (3,1,0,0,0,14) R07-M1-N04-J03
Task 3599 of 4096 (3,1,0,0,0,15) R07-M1-N04-J03
Task 3600 of 4096 (3,1,0,0,1,0) R07-M1-N04-J04
Task 3601 of 4096 (3,1,0,0,1,1) R07-M1-N04-J04
Task 3602 of 4096 (3,1,0,0,1,2) R07-M1-N04-J04
Task 3603 of 4096 (3,1,0,0,1,3) R07-M1-N04-J04
Task 3604 of 4096 (3,1,0,0,1,4) R07-M1-N04-J04
Task 3605 of 4096 (3,1,0,0,1,5) R07-M1-N04-J04
Task 3606 of 4096 (3,1,0,0,1,6) R07-M1-N04-J04
Task 3607 of 4096 (3,1,0,0,1,7) R07-M1-N04-J04
Task 3608 of 4096 (3,1,0,0,1,8) R07-M1-N04-J04
Task 3609 of 4096 (3,1,0,0,1,9) R07-M1-N04-J04
Task 3610 of 4096 (3,1,0,0,1,10) R07-M1-N04-J04
Task 3611 of 4096 (3,1,0,0,1,11) R07-M1-N04-J04
Task 3612 of 4096 (3,1,0,0,1,12) R07-M1-N04-J04
Task 3613 of 4096 (3,1,0,0,1,13) R07-M1-N04-J04
Task 3614 of 4096 (3,1,0,0,1,14) R07-M1-N04-J04
Task 3615 of 4096 (3,1,0,0,1,15) R07-M1-N04-J04
Task 3616 of 4096 (3,1,0,1,0,0) R07-M1-N04-J15
Task 3617 of 4096 (3,1,0,1,0,1) R07-M1-N04-J15
Task 3618 of 4096 (3,1,0,1,0,2) R07-M1-N04-J15
Task 3619 of 4096 (3,1,0,1,0,3) R07-M1-N04-J15
Task 3620 of 4096 (3,1,0,1,0,4) R07-M1-N04-J15
Task 3621 of 4096 (3,1,0,1,0,5) R07-M1-N04-J15
Task 3622 of 4096 (3,1,0,1,0,6) R07-M1-N04-J15
Task 3623 of 4096 (3,1,0,1,0,7) R07-M1-N04-J15
Task 3624 of 4096 (3,1,0,1,0,8) R07-M1-N04-J15
Task 3625 of 4096 (3,1,0,1,0,9) R07-M1-N04-J15
Task 3626 of 4096 (3,1,0,1,0,10) R07-M1-N04-J15
Task 3627 of 4096 (3,1,0,1,0,11) R07-M1-N04-J15
Task 3628 of 4096 (3,1,0,1,0,12) R07-M1-N04-J15
Task 3629 of 4096 (3,1,0,1,0,13) R07-M1-N04-J15
Task 3630 of 4096 (3,1,0,1,0,14) R07-M1-N04-J15
Task 3631 of 4096 (3,1,0,1,0,15) R07-M1-N04-J15
Task 3632 of 4096 (3,1,0,1,1,0) R07-M1-N04-J08
Task 3633 of 4096 (3,1,0,1,1,1) R07-M1-N04-J08
Task 3634 of 4096 (3,1,0,1,1,2) R07-M1-N04-J08
Task 3635 of 4096 (3,1,0,1,1,3) R07-M1-N04-J08
Task 3636 of 4096 (3,1,0,1,1,4) R07-M1-N04-J08
Task 3637 of 4096 (3,1,0,1,1,5) R07-M1-N04-J08
Task 3638 of 4096 (3,1,0,1,1,6) R07-M1-N04-J08
Task 3639 of 4096 (3,1,0,1,1,7) R07-M1-N04-J08
Task 3640 of 4096 (3,1,0,1,1,8) R07-M1-N04-J08
Task 3641 of 4096 (3,1,0,1,1,9) R07-M1-N04-J08
Task 3642 of 4096 (3,1,0,1,1,10) R07-M1-N04-J08
Task 3643 of 4096 (3,1,0,1,1,11) R07-M1-N04-J08
Task 3644 of 4096 (3,1,0,1,1,12) R07-M1-N04-J08
Task 3645 of 4096 (3,1,0,1,1,13) R07-M1-N04-J08
Task 3646 of 4096 (3,1,0,1,1,14) R07-M1-N04-J08
Task 3647 of 4096 (3,1,0,1,1,15) R07-M1-N04-J08
Task 3648 of 4096 (3,1,0,2,0,0) R07-M1-N06-J15
Task 3649 of 4096 (3,1,0,2,0,1) R07-M1-N06-J15
Task 3650 of 4096 (3,1,0,2,0,2) R07-M1-N06-J15
Task 3651 of 4096 (3,1,0,2,0,3) R07-M1-N06-J15
Task 3652 of 4096 (3,1,0,2,0,4) R07-M1-N06-J15
Task 3653 of 4096 (3,1,0,2,0,5) R07-M1-N06-J15
Task 3654 of 4096 (3,1,0,2,0,6) R07-M1-N06-J15
Task 3655 of 4096 (3,1,0,2,0,7) R07-M1-N06-J15
Task 3656 of 4096 (3,1,0,2,0,8) R07-M1-N06-J15
Task 3657 of 4096 (3,1,0,2,0,9) R07-M1-N06-J15
Task 3658 of 4096 (3,1,0,2,0,10) R07-M1-N06-J15
Task 3659 of 4096 (3,1,0,2,0,11) R07-M1-N06-J15
Task 3660 of 4096 (3,1,0,2,0,12) R07-M1-N06-J15
Task 3661 of 4096 (3,1,0,2,0,13) R07-M1-N06-J15
Task 3662 of 4096 (3,1,0,2,0,14) R07-M1-N06-J15
Task 3663 of 4096 (3,1,0,2,0,15) R07-M1-N06-J15
Task 3664 of 4096 (3,1,0,2,1,0) R07-M1-N06-J08
Task 3665 of 4096 (3,1,0,2,1,1) R07-M1-N06-J08
Task 3666 of 4096 (3,1,0,2,1,2) R07-M1-N06-J08
Task 3667 of 4096 (3,1,0,2,1,3) R07-M1-N06-J08
Task 3668 of 4096 (3,1,0,2,1,4) R07-M1-N06-J08
Task 3669 of 4096 (3,1,0,2,1,5) R07-M1-N06-J08
Task 3670 of 4096 (3,1,0,2,1,6) R07-M1-N06-J08
Task 3671 of 4096 (3,1,0,2,1,7) R07-M1-N06-J08
Task 3672 of 4096 (3,1,0,2,1,8) R07-M1-N06-J08
Task 3673 of 4096 (3,1,0,2,1,9) R07-M1-N06-J08
Task 3674 of 4096 (3,1,0,2,1,10) R07-M1-N06-J08
Task 3675 of 4096 (3,1,0,2,1,11) R07-M1-N06-J08
Task 3676 of 4096 (3,1,0,2,1,12) R07-M1-N06-J08
Task 3677 of 4096 (3,1,0,2,1,13) R07-M1-N06-J08
Task 3678 of 4096 (3,1,0,2,1,14) R07-M1-N06-J08
Task 3679 of 4096 (3,1,0,2,1,15) R07-M1-N06-J08
Task 3680 of 4096 (3,1,0,3,0,0) R07-M1-N06-J03
Task 3681 of 4096 (3,1,0,3,0,1) R07-M1-N06-J03
Task 3682 of 4096 (3,1,0,3,0,2) R07-M1-N06-J03
Task 3683 of 4096 (3,1,0,3,0,3) R07-M1-N06-J03
Task 3684 of 4096 (3,1,0,3,0,4) R07-M1-N06-J03
Task 3685 of 4096 (3,1,0,3,0,5) R07-M1-N06-J03
Task 3686 of 4096 (3,1,0,3,0,6) R07-M1-N06-J03
Task 3687 of 4096 (3,1,0,3,0,7) R07-M1-N06-J03
Task 3688 of 4096 (3,1,0,3,0,8) R07-M1-N06-J03
Task 3689 of 4096 (3,1,0,3,0,9) R07-M1-N06-J03
Task 3690 of 4096 (3,1,0,3,0,10) R07-M1-N06-J03
Task 3691 of 4096 (3,1,0,3,0,11) R07-M1-N06-J03
Task 3692 of 4096 (3,1,0,3,0,12) R07-M1-N06-J03
Task 3693 of 4096 (3,1,0,3,0,13) R07-M1-N06-J03
Task 3694 of 4096 (3,1,0,3,0,14) R07-M1-N06-J03
Task 3695 of 4096 (3,1,0,3,0,15) R07-M1-N06-J03
Task 3696 of 4096 (3,1,0,3,1,0) R07-M1-N06-J04
Task 3697 of 4096 (3,1,0,3,1,1) R07-M1-N06-J04
Task 3698 of 4096 (3,1,0,3,1,2) R07-M1-N06-J04
Task 3699 of 4096 (3,1,0,3,1,3) R07-M1-N06-J04
Task 3700 of 4096 (3,1,0,3,1,4) R07-M1-N06-J04
Task 3701 of 4096 (3,1,0,3,1,5) R07-M1-N06-J04
Task 3702 of 4096 (3,1,0,3,1,6) R07-M1-N06-J04
Task 3703 of 4096 (3,1,0,3,1,7) R07-M1-N06-J04
Task 3704 of 4096 (3,1,0,3,1,8) R07-M1-N06-J04
Task 3705 of 4096 (3,1,0,3,1,9) R07-M1-N06-J04
Task 3706 of 4096 (3,1,0,3,1,10) R07-M1-N06-J04
Task 3707 of 4096 (3,1,0,3,1,11) R07-M1-N06-J04
Task 3708 of 4096 (3,1,0,3,1,12) R07-M1-N06-J04
Task 3709 of 4096 (3,1,0,3,1,13) R07-M1-N06-J04
Task 3710 of 4096 (3,1,0,3,1,14) R07-M1-N06-J04
Task 3711 of 4096 (3,1,0,3,1,15) R07-M1-N06-J04
Task 3712 of 4096 (3,1,1,0,0,0) R07-M1-N04-J02
Task 3713 of 4096 (3,1,1,0,0,1) R07-M1-N04-J02
Task 3714 of 4096 (3,1,1,0,0,2) R07-M1-N04-J02
Task 3715 of 4096 (3,1,1,0,0,3) R07-M1-N04-J02
Task 3716 of 4096 (3,1,1,0,0,4) R07-M1-N04-J02
Task 3717 of 4096 (3,1,1,0,0,5) R07-M1-N04-J02
Task 3718 of 4096 (3,1,1,0,0,6) R07-M1-N04-J02
Task 3719 of 4096 (3,1,1,0,0,7) R07-M1-N04-J02
Task 3720 of 4096 (3,1,1,0,0,8) R07-M1-N04-J02
Task 3721 of 4096 (3,1,1,0,0,9) R07-M1-N04-J02
Task 3722 of 4096 (3,1,1,0,0,10) R07-M1-N04-J02
Task 3723 of 4096 (3,1,1,0,0,11) R07-M1-N04-J02
Task 3724 of 4096 (3,1,1,0,0,12) R07-M1-N04-J02
Task 3725 of 4096 (3,1,1,0,0,13) R07-M1-N04-J02
Task 3726 of 4096 (3,1,1,0,0,14) R07-M1-N04-J02
Task 3727 of 4096 (3,1,1,0,0,15) R07-M1-N04-J02
Task 3728 of 4096 (3,1,1,0,1,0) R07-M1-N04-J05
Task 3729 of 4096 (3,1,1,0,1,1) R07-M1-N04-J05
Task 3730 of 4096 (3,1,1,0,1,2) R07-M1-N04-J05
Task 3731 of 4096 (3,1,1,0,1,3) R07-M1-N04-J05
Task 3732 of 4096 (3,1,1,0,1,4) R07-M1-N04-J05
Task 3733 of 4096 (3,1,1,0,1,5) R07-M1-N04-J05
Task 3734 of 4096 (3,1,1,0,1,6) R07-M1-N04-J05
Task 3735 of 4096 (3,1,1,0,1,7) R07-M1-N04-J05
Task 3736 of 4096 (3,1,1,0,1,8) R07-M1-N04-J05
Task 3737 of 4096 (3,1,1,0,1,9) R07-M1-N04-J05
Task 3738 of 4096 (3,1,1,0,1,10) R07-M1-N04-J05
Task 3739 of 4096 (3,1,1,0,1,11) R07-M1-N04-J05
Task 3740 of 4096 (3,1,1,0,1,12) R07-M1-N04-J05
Task 3741 of 4096 (3,1,1,0,1,13) R07-M1-N04-J05
Task 3742 of 4096 (3,1,1,0,1,14) R07-M1-N04-J05
Task 3743 of 4096 (3,1,1,0,1,15) R07-M1-N04-J05
Task 3744 of 4096 (3,1,1,1,0,0) R07-M1-N04-J14
Task 3745 of 4096 (3,1,1,1,0,1) R07-M1-N04-J14
Task 3746 of 4096 (3,1,1,1,0,2) R07-M1-N04-J14
Task 3747 of 4096 (3,1,1,1,0,3) R07-M1-N04-J14
Task 3748 of 4096 (3,1,1,1,0,4) R07-M1-N04-J14
Task 3749 of 4096 (3,1,1,1,0,5) R07-M1-N04-J14
Task 3750 of 4096 (3,1,1,1,0,6) R07-M1-N04-J14
Task 3751 of 4096 (3,1,1,1,0,7) R07-M1-N04-J14
Task 3752 of 4096 (3,1,1,1,0,8) R07-M1-N04-J14
Task 3753 of 4096 (3,1,1,1,0,9) R07-M1-N04-J14
Task 3754 of 4096 (3,1,1,1,0,10) R07-M1-N04-J14
Task 3755 of 4096 (3,1,1,1,0,11) R07-M1-N04-J14
Task 3756 of 4096 (3,1,1,1,0,12) R07-M1-N04-J14
Task 3757 of 4096 (3,1,1,1,0,13) R07-M1-N04-J14
Task 3758 of 4096 (3,1,1,1,0,14) R07-M1-N04-J14
Task 3759 of 4096 (3,1,1,1,0,15) R07-M1-N04-J14
Task 3760 of 4096 (3,1,1,1,1,0) R07-M1-N04-J09
Task 3761 of 4096 (3,1,1,1,1,1) R07-M1-N04-J09
Task 3762 of 4096 (3,1,1,1,1,2) R07-M1-N04-J09
Task 3763 of 4096 (3,1,1,1,1,3) R07-M1-N04-J09
Task 3764 of 4096 (3,1,1,1,1,4) R07-M1-N04-J09
Task 3765 of 4096 (3,1,1,1,1,5) R07-M1-N04-J09
Task 3766 of 4096 (3,1,1,1,1,6) R07-M1-N04-J09
Task 3767 of 4096 (3,1,1,1,1,7) R07-M1-N04-J09
Task 3768 of 4096 (3,1,1,1,1,8) R07-M1-N04-J09
Task 3769 of 4096 (3,1,1,1,1,9) R07-M1-N04-J09
Task 3770 of 4096 (3,1,1,1,1,10) R07-M1-N04-J09
Task 3771 of 4096 (3,1,1,1,1,11) R07-M1-N04-J09
Task 3772 of 4096 (3,1,1,1,1,12) R07-M1-N04-J09
Task 3773 of 4096 (3,1,1,1,1,13) R07-M1-N04-J09
Task 3774 of 4096 (3,1,1,1,1,14) R07-M1-N04-J09
Task 3775 of 4096 (3,1,1,1,1,15) R07-M1-N04-J09
Task 3776 of 4096 (3,1,1,2,0,0) R07-M1-N06-J14
Task 3777 of 4096 (3,1,1,2,0,1) R07-M1-N06-J14
Task 3778 of 4096 (3,1,1,2,0,2) R07-M1-N06-J14
Task 3779 of 4096 (3,1,1,2,0,3) R07-M1-N06-J14
Task 3780 of 4096 (3,1,1,2,0,4) R07-M1-N06-J14
Task 3781 of 4096 (3,1,1,2,0,5) R07-M1-N06-J14
Task 3782 of 4096 (3,1,1,2,0,6) R07-M1-N06-J14
Task 3783 of 4096 (3,1,1,2,0,7) R07-M1-N06-J14
Task 3784 of 4096 (3,1,1,2,0,8) R07-M1-N06-J14
Task 3785 of 4096 (3,1,1,2,0,9) R07-M1-N06-J14
Task 3786 of 4096 (3,1,1,2,0,10) R07-M1-N06-J14
Task 3787 of 4096 (3,1,1,2,0,11) R07-M1-N06-J14
Task 3788 of 4096 (3,1,1,2,0,12) R07-M1-N06-J14
Task 3789 of 4096 (3,1,1,2,0,13) R07-M1-N06-J14
Task 3790 of 4096 (3,1,1,2,0,14) R07-M1-N06-J14
Task 3791 of 4096 (3,1,1,2,0,15) R07-M1-N06-J14
Task 3792 of 4096 (3,1,1,2,1,0) R07-M1-N06-J09
Task 3793 of 4096 (3,1,1,2,1,1) R07-M1-N06-J09
Task 3794 of 4096 (3,1,1,2,1,2) R07-M1-N06-J09
Task 3795 of 4096 (3,1,1,2,1,3) R07-M1-N06-J09
Task 3796 of 4096 (3,1,1,2,1,4) R07-M1-N06-J09
Task 3797 of 4096 (3,1,1,2,1,5) R07-M1-N06-J09
Task 3798 of 4096 (3,1,1,2,1,6) R07-M1-N06-J09
Task 3799 of 4096 (3,1,1,2,1,7) R07-M1-N06-J09
Task 3800 of 4096 (3,1,1,2,1,8) R07-M1-N06-J09
Task 3801 of 4096 (3,1,1,2,1,9) R07-M1-N06-J09
Task 3802 of 4096 (3,1,1,2,1,10) R07-M1-N06-J09
Task 3803 of 4096 (3,1,1,2,1,11) R07-M1-N06-J09
Task 3804 of 4096 (3,1,1,2,1,12) R07-M1-N06-J09
Task 3805 of 4096 (3,1,1,2,1,13) R07-M1-N06-J09
Task 3806 of 4096 (3,1,1,2,1,14) R07-M1-N06-J09
Task 3807 of 4096 (3,1,1,2,1,15) R07-M1-N06-J09
Task 3808 of 4096 (3,1,1,3,0,0) R07-M1-N06-J02
Task 3809 of 4096 (3,1,1,3,0,1) R07-M1-N06-J02
Task 3810 of 4096 (3,1,1,3,0,2) R07-M1-N06-J02
Task 3811 of 4096 (3,1,1,3,0,3) R07-M1-N06-J02
Task 3812 of 4096 (3,1,1,3,0,4) R07-M1-N06-J02
Task 3813 of 4096 (3,1,1,3,0,5) R07-M1-N06-J02
Task 3814 of 4096 (3,1,1,3,0,6) R07-M1-N06-J02
Task 3815 of 4096 (3,1,1,3,0,7) R07-M1-N06-J02
Task 3816 of 4096 (3,1,1,3,0,8) R07-M1-N06-J02
Task 3817 of 4096 (3,1,1,3,0,9) R07-M1-N06-J02
Task 3818 of 4096 (3,1,1,3,0,10) R07-M1-N06-J02
Task 3819 of 4096 (3,1,1,3,0,11) R07-M1-N06-J02
Task 3820 of 4096 (3,1,1,3,0,12) R07-M1-N06-J02
Task 3821 of 4096 (3,1,1,3,0,13) R07-M1-N06-J02
Task 3822 of 4096 (3,1,1,3,0,14) R07-M1-N06-J02
Task 3823 of 4096 (3,1,1,3,0,15) R07-M1-N06-J02
Task 3824 of 4096 (3,1,1,3,1,0) R07-M1-N06-J05
Task 3825 of 4096 (3,1,1,3,1,1) R07-M1-N06-J05
Task 3826 of 4096 (3,1,1,3,1,2) R07-M1-N06-J05
Task 3827 of 4096 (3,1,1,3,1,3) R07-M1-N06-J05
Task 3828 of 4096 (3,1,1,3,1,4) R07-M1-N06-J05
Task 3829 of 4096 (3,1,1,3,1,5) R07-M1-N06-J05
Task 3830 of 4096 (3,1,1,3,1,6) R07-M1-N06-J05
Task 3831 of 4096 (3,1,1,3,1,7) R07-M1-N06-J05
Task 3832 of 4096 (3,1,1,3,1,8) R07-M1-N06-J05
Task 3833 of 4096 (3,1,1,3,1,9) R07-M1-N06-J05
Task 3834 of 4096 (3,1,1,3,1,10) R07-M1-N06-J05
Task 3835 of 4096 (3,1,1,3,1,11) R07-M1-N06-J05
Task 3836 of 4096 (3,1,1,3,1,12) R07-M1-N06-J05
Task 3837 of 4096 (3,1,1,3,1,13) R07-M1-N06-J05
Task 3838 of 4096 (3,1,1,3,1,14) R07-M1-N06-J05
Task 3839 of 4096 (3,1,1,3,1,15) R07-M1-N06-J05
Task 3840 of 4096 (3,1,2,0,0,0) R07-M1-N05-J02
Task 3841 of 4096 (3,1,2,0,0,1) R07-M1-N05-J02
Task 3842 of 4096 (3,1,2,0,0,2) R07-M1-N05-J02
Task 3843 of 4096 (3,1,2,0,0,3) R07-M1-N05-J02
Task 3844 of 4096 (3,1,2,0,0,4) R07-M1-N05-J02
Task 3845 of 4096 (3,1,2,0,0,5) R07-M1-N05-J02
Task 3846 of 4096 (3,1,2,0,0,6) R07-M1-N05-J02
Task 3847 of 4096 (3,1,2,0,0,7) R07-M1-N05-J02
Task 3848 of 4096 (3,1,2,0,0,8) R07-M1-N05-J02
Task 3849 of 4096 (3,1,2,0,0,9) R07-M1-N05-J02
Task 3850 of 4096 (3,1,2,0,0,10) R07-M1-N05-J02
Task 3851 of 4096 (3,1,2,0,0,11) R07-M1-N05-J02
Task 3852 of 4096 (3,1,2,0,0,12) R07-M1-N05-J02
Task 3853 of 4096 (3,1,2,0,0,13) R07-M1-N05-J02
Task 3854 of 4096 (3,1,2,0,0,14) R07-M1-N05-J02
Task 3855 of 4096 (3,1,2,0,0,15) R07-M1-N05-J02
Task 3856 of 4096 (3,1,2,0,1,0) R07-M1-N05-J05
Task 3857 of 4096 (3,1,2,0,1,1) R07-M1-N05-J05
Task 3858 of 4096 (3,1,2,0,1,2) R07-M1-N05-J05
Task 3859 of 4096 (3,1,2,0,1,3) R07-M1-N05-J05
Task 3860 of 4096 (3,1,2,0,1,4) R07-M1-N05-J05
Task 3861 of 4096 (3,1,2,0,1,5) R07-M1-N05-J05
Task 3862 of 4096 (3,1,2,0,1,6) R07-M1-N05-J05
Task 3863 of 4096 (3,1,2,0,1,7) R07-M1-N05-J05
Task 3864 of 4096 (3,1,2,0,1,8) R07-M1-N05-J05
Task 3865 of 4096 (3,1,2,0,1,9) R07-M1-N05-J05
Task 3866 of 4096 (3,1,2,0,1,10) R07-M1-N05-J05
Task 3867 of 4096 (3,1,2,0,1,11) R07-M1-N05-J05
Task 3868 of 4096 (3,1,2,0,1,12) R07-M1-N05-J05
Task 3869 of 4096 (3,1,2,0,1,13) R07-M1-N05-J05
Task 3870 of 4096 (3,1,2,0,1,14) R07-M1-N05-J05
Task 3871 of 4096 (3,1,2,0,1,15) R07-M1-N05-J05
Task 3872 of 4096 (3,1,2,1,0,0) R07-M1-N05-J14
Task 3873 of 4096 (3,1,2,1,0,1) R07-M1-N05-J14
Task 3874 of 4096 (3,1,2,1,0,2) R07-M1-N05-J14
Task 3875 of 4096 (3,1,2,1,0,3) R07-M1-N05-J14
Task 3876 of 4096 (3,1,2,1,0,4) R07-M1-N05-J14
Task 3877 of 4096 (3,1,2,1,0,5) R07-M1-N05-J14
Task 3878 of 4096 (3,1,2,1,0,6) R07-M1-N05-J14
Task 3879 of 4096 (3,1,2,1,0,7) R07-M1-N05-J14
Task 3880 of 4096 (3,1,2,1,0,8) R07-M1-N05-J14
Task 3881 of 4096 (3,1,2,1,0,9) R07-M1-N05-J14
Task 3882 of 4096 (3,1,2,1,0,10) R07-M1-N05-J14
Task 3883 of 4096 (3,1,2,1,0,11) R07-M1-N05-J14
Task 3884 of 4096 (3,1,2,1,0,12) R07-M1-N05-J14
Task 3885 of 4096 (3,1,2,1,0,13) R07-M1-N05-J14
Task 3886 of 4096 (3,1,2,1,0,14) R07-M1-N05-J14
Task 3887 of 4096 (3,1,2,1,0,15) R07-M1-N05-J14
Task 3888 of 4096 (3,1,2,1,1,0) R07-M1-N05-J09
Task 3889 of 4096 (3,1,2,1,1,1) R07-M1-N05-J09
Task 3890 of 4096 (3,1,2,1,1,2) R07-M1-N05-J09
Task 3891 of 4096 (3,1,2,1,1,3) R07-M1-N05-J09
Task 3892 of 4096 (3,1,2,1,1,4) R07-M1-N05-J09
Task 3893 of 4096 (3,1,2,1,1,5) R07-M1-N05-J09
Task 3894 of 4096 (3,1,2,1,1,6) R07-M1-N05-J09
Task 3895 of 4096 (3,1,2,1,1,7) R07-M1-N05-J09
Task 3896 of 4096 (3,1,2,1,1,8) R07-M1-N05-J09
Task 3897 of 4096 (3,1,2,1,1,9) R07-M1-N05-J09
Task 3898 of 4096 (3,1,2,1,1,10) R07-M1-N05-J09
Task 3899 of 4096 (3,1,2,1,1,11) R07-M1-N05-J09
Task 3900 of 4096 (3,1,2,1,1,12) R07-M1-N05-J09
Task 3901 of 4096 (3,1,2,1,1,13) R07-M1-N05-J09
Task 3902 of 4096 (3,1,2,1,1,14) R07-M1-N05-J09
Task 3903 of 4096 (3,1,2,1,1,15) R07-M1-N05-J09
Task 3904 of 4096 (3,1,2,2,0,0) R07-M1-N07-J14
Task 3905 of 4096 (3,1,2,2,0,1) R07-M1-N07-J14
Task 3906 of 4096 (3,1,2,2,0,2) R07-M1-N07-J14
Task 3907 of 4096 (3,1,2,2,0,3) R07-M1-N07-J14
Task 3908 of 4096 (3,1,2,2,0,4) R07-M1-N07-J14
Task 3909 of 4096 (3,1,2,2,0,5) R07-M1-N07-J14
Task 3910 of 4096 (3,1,2,2,0,6) R07-M1-N07-J14
Task 3911 of 4096 (3,1,2,2,0,7) R07-M1-N07-J14
Task 3912 of 4096 (3,1,2,2,0,8) R07-M1-N07-J14
Task 3913 of 4096 (3,1,2,2,0,9) R07-M1-N07-J14
Task 3914 of 4096 (3,1,2,2,0,10) R07-M1-N07-J14
Task 3915 of 4096 (3,1,2,2,0,11) R07-M1-N07-J14
Task 3916 of 4096 (3,1,2,2,0,12) R07-M1-N07-J14
Task 3917 of 4096 (3,1,2,2,0,13) R07-M1-N07-J14
Task 3918 of 4096 (3,1,2,2,0,14) R07-M1-N07-J14
Task 3919 of 4096 (3,1,2,2,0,15) R07-M1-N07-J14
Task 3920 of 4096 (3,1,2,2,1,0) R07-M1-N07-J09
Task 3921 of 4096 (3,1,2,2,1,1) R07-M1-N07-J09
Task 3922 of 4096 (3,1,2,2,1,2) R07-M1-N07-J09
Task 3923 of 4096 (3,1,2,2,1,3) R07-M1-N07-J09
Task 3924 of 4096 (3,1,2,2,1,4) R07-M1-N07-J09
Task 3925 of 4096 (3,1,2,2,1,5) R07-M1-N07-J09
Task 3926 of 4096 (3,1,2,2,1,6) R07-M1-N07-J09
Task 3927 of 4096 (3,1,2,2,1,7) R07-M1-N07-J09
Task 3928 of 4096 (3,1,2,2,1,8) R07-M1-N07-J09
Task 3929 of 4096 (3,1,2,2,1,9) R07-M1-N07-J09
Task 3930 of 4096 (3,1,2,2,1,10) R07-M1-N07-J09
Task 3931 of 4096 (3,1,2,2,1,11) R07-M1-N07-J09
Task 3932 of 4096 (3,1,2,2,1,12) R07-M1-N07-J09
Task 3933 of 4096 (3,1,2,2,1,13) R07-M1-N07-J09
Task 3934 of 4096 (3,1,2,2,1,14) R07-M1-N07-J09
Task 3935 of 4096 (3,1,2,2,1,15) R07-M1-N07-J09
Task 3936 of 4096 (3,1,2,3,0,0) R07-M1-N07-J02
Task 3937 of 4096 (3,1,2,3,0,1) R07-M1-N07-J02
Task 3938 of 4096 (3,1,2,3,0,2) R07-M1-N07-J02
Task 3939 of 4096 (3,1,2,3,0,3) R07-M1-N07-J02
Task 3940 of 4096 (3,1,2,3,0,4) R07-M1-N07-J02
Task 3941 of 4096 (3,1,2,3,0,5) R07-M1-N07-J02
Task 3942 of 4096 (3,1,2,3,0,6) R07-M1-N07-J02
Task 3943 of 4096 (3,1,2,3,0,7) R07-M1-N07-J02
Task 3944 of 4096 (3,1,2,3,0,8) R07-M1-N07-J02
Task 3945 of 4096 (3,1,2,3,0,9) R07-M1-N07-J02
Task 3946 of 4096 (3,1,2,3,0,10) R07-M1-N07-J02
Task 3947 of 4096 (3,1,2,3,0,11) R07-M1-N07-J02
Task 3948 of 4096 (3,1,2,3,0,12) R07-M1-N07-J02
Task 3949 of 4096 (3,1,2,3,0,13) R07-M1-N07-J02
Task 3950 of 4096 (3,1,2,3,0,14) R07-M1-N07-J02
Task 3951 of 4096 (3,1,2,3,0,15) R07-M1-N07-J02
Task 3952 of 4096 (3,1,2,3,1,0) R07-M1-N07-J05
Task 3953 of 4096 (3,1,2,3,1,1) R07-M1-N07-J05
Task 3954 of 4096 (3,1,2,3,1,2) R07-M1-N07-J05
Task 3955 of 4096 (3,1,2,3,1,3) R07-M1-N07-J05
Task 3956 of 4096 (3,1,2,3,1,4) R07-M1-N07-J05
Task 3957 of 4096 (3,1,2,3,1,5) R07-M1-N07-J05
Task 3958 of 4096 (3,1,2,3,1,6) R07-M1-N07-J05
Task 3959 of 4096 (3,1,2,3,1,7) R07-M1-N07-J05
Task 3960 of 4096 (3,1,2,3,1,8) R07-M1-N07-J05
Task 3961 of 4096 (3,1,2,3,1,9) R07-M1-N07-J05
Task 3962 of 4096 (3,1,2,3,1,10) R07-M1-N07-J05
Task 3963 of 4096 (3,1,2,3,1,11) R07-M1-N07-J05
Task 3964 of 4096 (3,1,2,3,1,12) R07-M1-N07-J05
Task 3965 of 4096 (3,1,2,3,1,13) R07-M1-N07-J05
Task 3966 of 4096 (3,1,2,3,1,14) R07-M1-N07-J05
Task 3967 of 4096 (3,1,2,3,1,15) R07-M1-N07-J05
Task 3968 of 4096 (3,1,3,0,0,0) R07-M1-N05-J03
Task 3969 of 4096 (3,1,3,0,0,1) R07-M1-N05-J03
Task 3970 of 4096 (3,1,3,0,0,2) R07-M1-N05-J03
Task 3971 of 4096 (3,1,3,0,0,3) R07-M1-N05-J03
Task 3972 of 4096 (3,1,3,0,0,4) R07-M1-N05-J03
Task 3973 of 4096 (3,1,3,0,0,5) R07-M1-N05-J03
Task 3974 of 4096 (3,1,3,0,0,6) R07-M1-N05-J03
Task 3975 of 4096 (3,1,3,0,0,7) R07-M1-N05-J03
Task 3976 of 4096 (3,1,3,0,0,8) R07-M1-N05-J03
Task 3977 of 4096 (3,1,3,0,0,9) R07-M1-N05-J03
Task 3978 of 4096 (3,1,3,0,0,10) R07-M1-N05-J03
Task 3979 of 4096 (3,1,3,0,0,11) R07-M1-N05-J03
Task 3980 of 4096 (3,1,3,0,0,12) R07-M1-N05-J03
Task 3981 of 4096 (3,1,3,0,0,13) R07-M1-N05-J03
Task 3982 of 4096 (3,1,3,0,0,14) R07-M1-N05-J03
Task 3983 of 4096 (3,1,3,0,0,15) R07-M1-N05-J03
Task 3984 of 4096 (3,1,3,0,1,0) R07-M1-N05-J04
Task 3985 of 4096 (3,1,3,0,1,1) R07-M1-N05-J04
Task 3986 of 4096 (3,1,3,0,1,2) R07-M1-N05-J04
Task 3987 of 4096 (3,1,3,0,1,3) R07-M1-N05-J04
Task 3988 of 4096 (3,1,3,0,1,4) R07-M1-N05-J04
Task 3989 of 4096 (3,1,3,0,1,5) R07-M1-N05-J04
Task 3990 of 4096 (3,1,3,0,1,6) R07-M1-N05-J04
Task 3991 of 4096 (3,1,3,0,1,7) R07-M1-N05-J04
Task 3992 of 4096 (3,1,3,0,1,8) R07-M1-N05-J04
Task 3993 of 4096 (3,1,3,0,1,9) R07-M1-N05-J04
Task 3994 of 4096 (3,1,3,0,1,10) R07-M1-N05-J04
Task 3995 of 4096 (3,1,3,0,1,11) R07-M1-N05-J04
Task 3996 of 4096 (3,1,3,0,1,12) R07-M1-N05-J04
Task 3997 of 4096 (3,1,3,0,1,13) R07-M1-N05-J04
Task 3998 of 4096 (3,1,3,0,1,14) R07-M1-N05-J04
Task 3999 of 4096 (3,1,3,0,1,15) R07-M1-N05-J04
Task 4000 of 4096 (3,1,3,1,0,0) R07-M1-N05-J15
Task 4001 of 4096 (3,1,3,1,0,1) R07-M1-N05-J15
Task 4002 of 4096 (3,1,3,1,0,2) R07-M1-N05-J15
Task 4003 of 4096 (3,1,3,1,0,3) R07-M1-N05-J15
Task 4004 of 4096 (3,1,3,1,0,4) R07-M1-N05-J15
Task 4005 of 4096 (3,1,3,1,0,5) R07-M1-N05-J15
Task 4006 of 4096 (3,1,3,1,0,6) R07-M1-N05-J15
Task 4007 of 4096 (3,1,3,1,0,7) R07-M1-N05-J15
Task 4008 of 4096 (3,1,3,1,0,8) R07-M1-N05-J15
Task 4009 of 4096 (3,1,3,1,0,9) R07-M1-N05-J15
Task 4010 of 4096 (3,1,3,1,0,10) R07-M1-N05-J15
Task 4011 of 4096 (3,1,3,1,0,11) R07-M1-N05-J15
Task 4012 of 4096 (3,1,3,1,0,12) R07-M1-N05-J15
Task 4013 of 4096 (3,1,3,1,0,13) R07-M1-N05-J15
Task 4014 of 4096 (3,1,3,1,0,14) R07-M1-N05-J15
Task 4015 of 4096 (3,1,3,1,0,15) R07-M1-N05-J15
Task 4016 of 4096 (3,1,3,1,1,0) R07-M1-N05-J08
Task 4017 of 4096 (3,1,3,1,1,1) R07-M1-N05-J08
Task 4018 of 4096 (3,1,3,1,1,2) R07-M1-N05-J08
Task 4019 of 4096 (3,1,3,1,1,3) R07-M1-N05-J08
Task 4020 of 4096 (3,1,3,1,1,4) R07-M1-N05-J08
Task 4021 of 4096 (3,1,3,1,1,5) R07-M1-N05-J08
Task 4022 of 4096 (3,1,3,1,1,6) R07-M1-N05-J08
Task 4023 of 4096 (3,1,3,1,1,7) R07-M1-N05-J08
Task 4024 of 4096 (3,1,3,1,1,8) R07-M1-N05-J08
Task 4025 of 4096 (3,1,3,1,1,9) R07-M1-N05-J08
Task 4026 of 4096 (3,1,3,1,1,10) R07-M1-N05-J08
Task 4027 of 4096 (3,1,3,1,1,11) R07-M1-N05-J08
Task 4028 of 4096 (3,1,3,1,1,12) R07-M1-N05-J08
Task 4029 of 4096 (3,1,3,1,1,13) R07-M1-N05-J08
Task 4030 of 4096 (3,1,3,1,1,14) R07-M1-N05-J08
Task 4031 of 4096 (3,1,3,1,1,15) R07-M1-N05-J08
Task 4032 of 4096 (3,1,3,2,0,0) R07-M1-N07-J15
Task 4033 of 4096 (3,1,3,2,0,1) R07-M1-N07-J15
Task 4034 of 4096 (3,1,3,2,0,2) R07-M1-N07-J15
Task 4035 of 4096 (3,1,3,2,0,3) R07-M1-N07-J15
Task 4036 of 4096 (3,1,3,2,0,4) R07-M1-N07-J15
Task 4037 of 4096 (3,1,3,2,0,5) R07-M1-N07-J15
Task 4038 of 4096 (3,1,3,2,0,6) R07-M1-N07-J15
Task 4039 of 4096 (3,1,3,2,0,7) R07-M1-N07-J15
Task 4040 of 4096 (3,1,3,2,0,8) R07-M1-N07-J15
Task 4041 of 4096 (3,1,3,2,0,9) R07-M1-N07-J15
Task 4042 of 4096 (3,1,3,2,0,10) R07-M1-N07-J15
Task 4043 of 4096 (3,1,3,2,0,11) R07-M1-N07-J15
Task 4044 of 4096 (3,1,3,2,0,12) R07-M1-N07-J15
Task 4045 of 4096 (3,1,3,2,0,13) R07-M1-N07-J15
Task 4046 of 4096 (3,1,3,2,0,14) R07-M1-N07-J15
Task 4047 of 4096 (3,1,3,2,0,15) R07-M1-N07-J15
Task 4048 of 4096 (3,1,3,2,1,0) R07-M1-N07-J08
Task 4049 of 4096 (3,1,3,2,1,1) R07-M1-N07-J08
Task 4050 of 4096 (3,1,3,2,1,2) R07-M1-N07-J08
Task 4051 of 4096 (3,1,3,2,1,3) R07-M1-N07-J08
Task 4052 of 4096 (3,1,3,2,1,4) R07-M1-N07-J08
Task 4053 of 4096 (3,1,3,2,1,5) R07-M1-N07-J08
Task 4054 of 4096 (3,1,3,2,1,6) R07-M1-N07-J08
Task 4055 of 4096 (3,1,3,2,1,7) R07-M1-N07-J08
Task 4056 of 4096 (3,1,3,2,1,8) R07-M1-N07-J08
Task 4057 of 4096 (3,1,3,2,1,9) R07-M1-N07-J08
Task 4058 of 4096 (3,1,3,2,1,10) R07-M1-N07-J08
Task 4059 of 4096 (3,1,3,2,1,11) R07-M1-N07-J08
Task 4060 of 4096 (3,1,3,2,1,12) R07-M1-N07-J08
Task 4061 of 4096 (3,1,3,2,1,13) R07-M1-N07-J08
Task 4062 of 4096 (3,1,3,2,1,14) R07-M1-N07-J08
Task 4063 of 4096 (3,1,3,2,1,15) R07-M1-N07-J08
Task 4064 of 4096 (3,1,3,3,0,0) R07-M1-N07-J03
Task 4065 of 4096 (3,1,3,3,0,1) R07-M1-N07-J03
Task 4066 of 4096 (3,1,3,3,0,2) R07-M1-N07-J03
Task 4067 of 4096 (3,1,3,3,0,3) R07-M1-N07-J03
Task 4068 of 4096 (3,1,3,3,0,4) R07-M1-N07-J03
Task 4069 of 4096 (3,1,3,3,0,5) R07-M1-N07-J03
Task 4070 of 4096 (3,1,3,3,0,6) R07-M1-N07-J03
Task 4071 of 4096 (3,1,3,3,0,7) R07-M1-N07-J03
Task 4072 of 4096 (3,1,3,3,0,8) R07-M1-N07-J03
Task 4073 of 4096 (3,1,3,3,0,9) R07-M1-N07-J03
Task 4074 of 4096 (3,1,3,3,0,10) R07-M1-N07-J03
Task 4075 of 4096 (3,1,3,3,0,11) R07-M1-N07-J03
Task 4076 of 4096 (3,1,3,3,0,12) R07-M1-N07-J03
Task 4077 of 4096 (3,1,3,3,0,13) R07-M1-N07-J03
Task 4078 of 4096 (3,1,3,3,0,14) R07-M1-N07-J03
Task 4079 of 4096 (3,1,3,3,0,15) R07-M1-N07-J03
Task 4080 of 4096 (3,1,3,3,1,0) R07-M1-N07-J04
Task 4081 of 4096 (3,1,3,3,1,1) R07-M1-N07-J04
Task 4082 of 4096 (3,1,3,3,1,2) R07-M1-N07-J04
Task 4083 of 4096 (3,1,3,3,1,3) R07-M1-N07-J04
Task 4084 of 4096 (3,1,3,3,1,4) R07-M1-N07-J04
Task 4085 of 4096 (3,1,3,3,1,5) R07-M1-N07-J04
Task 4086 of 4096 (3,1,3,3,1,6) R07-M1-N07-J04
Task 4087 of 4096 (3,1,3,3,1,7) R07-M1-N07-J04
Task 4088 of 4096 (3,1,3,3,1,8) R07-M1-N07-J04
Task 4089 of 4096 (3,1,3,3,1,9) R07-M1-N07-J04
Task 4090 of 4096 (3,1,3,3,1,10) R07-M1-N07-J04
Task 4091 of 4096 (3,1,3,3,1,11) R07-M1-N07-J04
Task 4092 of 4096 (3,1,3,3,1,12) R07-M1-N07-J04
Task 4093 of 4096 (3,1,3,3,1,13) R07-M1-N07-J04
Task 4094 of 4096 (3,1,3,3,1,14) R07-M1-N07-J04
Task 4095 of 4096 (3,1,3,3,1,15) R07-M1-N07-J04
[qbox] set nrowmax 256
[qbox] load md129.xml
LoadCmd: loading from md129.xml
SampleReader: reading from file md129.xml size: 1595163516
XMLGFPreprocessor: read time: 2.849
XMLGFPreprocessor: local read rate: 0.1303 MB/s aggregate read rate: 533.9 MB/s
XMLGFPreprocessor: tag fixing time: 0.02278
XMLGFPreprocessor: segment definition time: 5.252
XMLGFPreprocessor: boundary adjustment time: 1.707
XMLGFPreprocessor: transcoding time: 0.004943
XMLGFPreprocessor: byte swapping time: 0.000576
XMLGFPreprocessor: data redistribution time: 0.129
XMLGFPreprocessor: XML compacting time: 0.01557
XMLGFPreprocessor: total time: 10.46
xmlcontent.size(): 73356
Starting XML parsing
SpeciesHandler: found href in species definition
name=oxygen href=/home/agaiduk/pp/O_HSCV_PBE-1.0.xml
species oxygen:
PSGen-1.6.0 pseudopotential: HSCV O xc=PBE
Generated by PSGen-1.6.0 on 2009-02-15T02:25:11Z
psgen arguments:
-element O -xc PBE -smooth_v -bound l=0:rc=0.8 -bound l=1:rc=0.8
O
8
16
6
1
1
0
0
0.01
Kleinman-Bylander potential
rcps_ = 1.500000
SpeciesHandler: found href in species definition
name=hydrogen href=/home/agaiduk/pp/D_HSCV_PBE-1.0.xml
species hydrogen:
HSCV PBE Deuterium
PSGen-1.6.0 pseudopotential: HSCV H xc=PBE
Generated by PSGen-1.6.0 on 2009-02-15T02:24:50Z
psgen arguments:
-element H -xc PBE -smooth_v -bound l=0:rc=0.5
D
1
2.014000
1
0
0
0
0.000000
0.010000
local potential
rcps_ = 1.500000
SpeciesHandler: found href in species definition
name=sodium href=/home/agaiduk/pp/Na_TM_PBE.xml
species sodium:
TM PBE
Na
11
22.990000
7
2
2
0
0.000000
0.010000
Kleinman-Bylander potential
rcps_ = 1.500000
SpeciesHandler: found href in species definition
name=chlorine href=/home/agaiduk/pp/Cl_HSCV_PBE-1.0.xml
species chlorine:
PSGen-1.6.0 pseudopotential: HSCV Cl xc=PBE
Generated by PSGen-1.6.0 on 2009-02-15T02:25:48Z
psgen arguments:
-element Cl -xc PBE -smooth_v -bound l=0:rc=0.8 -bound l=1:rc=1.0
-scat l=2:rc=1.2
Cl
17
35.452700
7
2
2
0
0.000000
0.010000
Kleinman-Bylander potential
rcps_ = 1.500000
WavefunctionHandler::startElement: wavefunction nspin=1 nel=430 nempty=0
kpoint=0.000000 0.000000 0.000000 weight=1.000000 size=215
WavefunctionHandler::startElement: wavefunction_velocity nspin=1 nel=430 nempty=0
kpoint=0.000000 0.000000 0.000000 weight=1.000000 size=215
XML parsing done
wavefunction was read
wavefunction velocity was read
SampleReader::readSample: grid nx,ny,nz=70 70 70
SampleReader: read time: 12.781173 s
[qbox] reset_vcm
[qbox] set ecut 85
[qbox] set xc PBE0
[qbox] set btHF 0.02
[qbox] set blHF 2 2 2
[qbox] set wf_dyn PSDA
[qbox] set ecutprec 5
[qbox] set wf_diag MLWF
[qbox]
[qbox] set atoms_dyn MD
[qbox] set dt 15
[qbox]
[qbox] run 100 8
EnergyFunctional: np0v,np1v,np2v: 140 140 140
EnergyFunctional: vft->np012(): 2744000
|
reciprocal lattice vectors
0.283174 0.000000 0.000000
0.000000 0.283174 0.000000
0.000000 0.000000 0.283174
kpoint: 0.000000 0.000000 0.000000 weight: 1.000000
sdcontext: 256x16
basis size: 72247
c dimensions: 81152x215 (317x14 blocks)
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1889670092
ExchangeOperator: bisection time: 1.489 s
total exchange = -52.3631870132 (a.u.)
total exchange computation time: 3.3288969994 s
678.75388616
-1083.32296217
89.72192445
-389.38716491
-174.79009536
78.07802073
551.60419304
0.00000000
-931.38759885
-8.82961422 -3.71151036 3.26210705
0.00008055 -0.00023098 0.00006972
0.00706949 0.01057498 0.00221540
-17.90615555 4.75579745 6.66036970
0.00000055 -0.00034353 -0.00009842
-0.01225597 -0.04114753 -0.02778864
-15.70846154 -0.99077244 0.57318972
0.00020031 0.00035903 0.00021630
-0.01354700 -0.01555936 -0.03736347
3.58337910 -20.68539923 15.78219988
-0.00046312 0.00001903 -0.00033795
0.02273999 -0.01757903 0.01625464
7.34041574 15.81661776 -1.25408483
0.00020097 0.00011432 -0.00030216
0.00983570 0.02526628 0.03553039
-9.73681994 9.72926583 11.04218779
-0.00004771 -0.00012168 0.00016450
0.01221967 -0.02980281 0.00477066
-8.00854863 -0.71673345 -14.04480398
-0.00040979 0.00024630 -0.00031348
0.02901136 -0.02764791 -0.01364724
-10.78142878 2.10291705 -7.46389843
-0.00016281 0.00014582 0.00052762
-0.02114797 -0.02521613 -0.00104739
-0.17240987 -5.73049024 15.01802453
-0.00010926 -0.00007337 0.00013672
-0.00320302 0.00325716 0.02598950
-25.20959036 -0.52018768 -20.86280252
-0.00047145 -0.00020254 0.00008779
0.01518097 0.01171823 0.03103105
8.89978874 7.49915507 7.84832003
0.00001425 0.00010370 0.00000625
-0.00662457 -0.01112291 0.00208739
20.77095708 28.75098008 -4.80307491
-0.00002962 0.00006988 -0.00010543
-0.00078477 0.01422982 -0.01275517
7.76667008 -1.62546923 -7.16543386
-0.00000486 0.00017253 -0.00006940
0.01989474 -0.04357884 -0.00534147
-9.60001847 -3.61468109 13.04647963
0.00046440 0.00016543 0.00037254
-0.02322891 -0.00439284 0.02691704
-1.43821995 -22.71985880 13.84811983
0.00021579 -0.00003980 0.00004007
-0.00195879 -0.02422732 0.00459739
-11.06922171 -8.61835725 -8.43777751
-0.00005723 -0.00042760 0.00033143
-0.05015089 -0.02516457 0.04307089
-16.04851616 -8.51461629 -15.60058423
0.00030239 0.00003237 0.00008052
0.00030132 -0.03924837 0.01097349
16.34254995 12.50779801 3.46570091
0.00039433 0.00028477 0.00003005
0.00274198 -0.00211033 0.02245430
20.43433114 -4.64046397 -14.72775320
-0.00022774 0.00019193 0.00000323
-0.00282309 -0.01578595 0.00419814
-0.78777604 8.11105788 -14.76292333
0.00038107 0.00016802 -0.00021695
0.00503956 -0.02598128 0.00313568
0.86266187 -0.92871917 -16.60733408
-0.00022914 0.00009202 -0.00032103
0.03461796 0.00546868 -0.00743269
11.48654055 21.17992613 -23.03425474
0.00021852 -0.00029900 -0.00015675
-0.01924364 -0.04735686 -0.01327542
-11.29438381 15.09789932 -15.86411972
0.00003436 0.00018649 -0.00040082
0.00361118 0.01668403 -0.02493530
4.24400949 17.41693715 11.09959455
0.00034371 0.00016548 -0.00027421
-0.04566247 0.03267987 -0.03019258
-2.00467023 -11.04623270 -3.46844451
-0.00023932 -0.00019351 -0.00029332
-0.04133780 0.01715539 -0.02658525
1.23426530 -7.82344773 3.69945017
-0.00005952 -0.00061371 -0.00004443
0.00358467 0.00539382 -0.00696478
9.54327329 1.71385096 8.01354288
0.00013983 0.00023655 0.00020944
-0.00095574 0.02382475 0.00127342
-7.03099484 -9.54673816 -2.91483184
0.00026872 0.00018353 -0.00014195
-0.00030295 -0.00882782 0.04264742
3.94991573 -12.64213690 -12.88403529
0.00005833 0.00023456 -0.00009638
-0.01401121 0.01519940 -0.00848221
1.07268241 -4.65512095 -1.10883070
0.00019254 0.00003132 0.00019129
0.00082988 -0.02429827 0.01836694
16.72108799 4.36504523 27.41477621
0.00029828 0.00004447 -0.00032615
-0.00759083 0.00239309 0.01820711
-9.61446114 6.35079583 -4.54773160
0.00015468 -0.00028999 0.00006352
-0.02476170 -0.01245628 0.01078435
-5.18689646 14.89582667 -8.98829767
0.00019368 0.00007347 -0.00034413
0.00891419 -0.00263707 -0.00138445
3.11286858 12.18805122 -6.83690001
-0.00013639 -0.00001700 0.00006826
0.02837746 0.01301327 -0.02113716
-4.39228707 11.70872121 -13.75484297
0.00022779 0.00020594 -0.00002368
0.00744293 0.01043541 -0.00078248
3.71412895 7.20139075 17.46184209
0.00033797 -0.00004502 -0.00000114
0.00361959 -0.00127123 -0.02079735
-15.00023843 8.85379555 -8.95910981
-0.00026463 -0.00001367 -0.00038017
0.00323173 -0.00561730 0.00622347
3.74986787 9.08871133 0.23477622
-0.00004394 0.00031320 0.00038264
0.00443487 -0.02251560 -0.03422407
15.61625707 -23.97949443 -26.59458638
0.00024145 -0.00000577 -0.00027678
0.00804522 -0.01646929 0.04599298
5.89588597 4.33634179 -0.03249927
-0.00035977 -0.00018782 0.00017524
0.03700626 0.01302316 0.02609267
16.93748854 -5.35612272 0.49349893
0.00016197 0.00013981 -0.00003380
0.00690233 -0.00660936 -0.05151936
-4.43298304 2.64488448 -2.84229048
-0.00022366 -0.00032469 0.00011476
-0.00064323 -0.02393897 0.00531065
0.98396277 2.28551418 -12.00588033
-0.00004141 0.00018874 0.00016677
0.02050935 0.00006556 0.04715524
15.69003075 9.08563919 -7.52338781
-0.00024314 -0.00009656 0.00006005
0.02541200 -0.02719267 -0.01453203
-6.09390802 0.97325207 12.61042476
-0.00028010 -0.00015468 0.00031131
-0.04091020 0.02894032 0.01707364
-3.37921831 -16.25607018 12.48955520
-0.00020719 0.00020260 0.00047046
-0.00339836 -0.02696341 0.01779516
6.99703075 -7.06658664 -5.88588383
-0.00000390 0.00007671 -0.00015234
-0.01139436 -0.01220728 -0.00022953
-1.21736135 -11.54831811 1.76617940
0.00012264 0.00015139 -0.00020597
0.00098722 -0.00775575 -0.00128592
-16.47573486 -1.80793863 5.02429206
0.00035180 0.00013489 0.00024238
-0.02617311 -0.01967343 0.01665523
-8.89630236 3.88248647 -21.66823472
-0.00032032 -0.00047703 -0.00041579
0.00697274 -0.03095940 -0.03324205
2.18618494 1.29137016 -1.35968477
-0.00005098 -0.00004158 0.00009456
-0.00730824 -0.01710909 0.08656565
12.32581399 8.71021448 3.82146266
0.00020003 -0.00021183 0.00002504
-0.04135905 -0.01985036 -0.01499066
-7.32527488 -4.37508846 2.19401160
0.00124942 0.00028579 0.00047234
-0.03168319 0.01087326 0.01222877
-9.67184547 -2.25773613 2.39936017
-0.00126720 -0.00168094 0.00091462
0.01552946 -0.02592723 0.00112948
-16.78928058 6.08814917 6.93846445
0.00013664 -0.00064315 -0.00035978
0.02647258 0.03244716 0.00829870
-17.03228044 3.78898111 5.32094352
0.00049144 -0.00001127 -0.00007482
-0.01586686 0.01007552 0.01453619
-15.62487368 0.82549169 0.73163693
-0.00017847 -0.00080852 0.00018318
-0.00275574 0.01310608 -0.00168496
-17.22583148 -1.32777992 -0.51529866
-0.00067678 -0.00197233 -0.00028263
0.01602843 0.00951483 0.01562121
2.09055061 -21.24438870 14.94140130
-0.00013293 -0.00028310 0.00046010
-0.01487726 0.00937052 -0.00862134
4.04281647 -18.94383411 15.71005693
0.00048378 0.00026843 0.00027087
-0.01298329 0.01352823 -0.00503630
8.35605472 14.28575209 -1.09048964
0.00015178 0.00044834 -0.00088352
0.00060875 -0.01012020 0.00446291
7.92297934 16.95650321 0.12212444
-0.00061399 -0.00040729 0.00085879
-0.00942426 -0.01639076 -0.02239981
-8.64973161 8.99625177 12.39228529
0.00018983 0.00012077 0.00048373
0.00158493 0.00157148 -0.01855605
-10.32011645 11.04695418 12.15297388
-0.00018847 0.00041885 -0.00036498
-0.01642572 0.02763095 0.00007418
-9.53697404 0.20546874 -13.82227901
0.00017554 -0.00038699 -0.00072542
-0.02539794 0.00558667 -0.01184088
-8.23305719 -2.06211314 -15.36322875
0.00015040 0.00000371 0.00112127
-0.00318551 0.02421710 0.01350221
-12.12673041 1.09123726 -6.62797858
-0.00037661 0.00041657 -0.00078943
0.01826494 0.00347426 -0.01797025
-10.40524652 3.34586995 -6.21788581
-0.00028019 0.00053394 0.00104098
0.00989314 0.02814049 0.01438853
-1.85880554 -6.20700350 14.47027934
0.00043833 0.00088087 0.00006531
-0.00540521 -0.00583864 0.00035789
-0.21038096 -5.80665784 16.90059764
-0.00006704 -0.00012976 0.00062126
0.00016524 0.00578402 -0.02159433
-24.47045718 -0.34548140 -19.10655035
-0.00096423 -0.00039756 0.00073437
-0.00824284 -0.00212454 -0.03297558
-25.59284950 1.17330872 -21.49845787
-0.00027732 0.00042877 0.00022353
0.00365169 -0.01049434 -0.00009762
9.74369372 8.41820973 6.52432497
-0.00122461 0.00098141 0.00071007
0.01051174 -0.00110960 -0.00912481
10.04518282 7.67007991 9.27257510
-0.00003547 -0.00059345 -0.00015576
0.00137172 0.00841466 0.00130232
19.76723055 27.41508986 -4.06565597
0.00010481 0.00012891 -0.00027014
-0.00475912 -0.00716683 0.00287396
20.09656403 30.47308560 -4.25433283
-0.00052596 0.00056454 -0.00014088
0.01217865 -0.01306190 0.00006246
6.53085442 -0.42255223 -6.86265978
0.00023276 0.00009334 0.00013246
-0.03615218 0.03536344 0.00610901
6.73700395 -3.18163210 -7.20400237
0.00008494 -0.00071808 -0.00013432
0.01686114 0.00379304 -0.00041621
-8.74040093 -2.39714918 12.10067335
0.00047717 -0.00037391 0.00056749
0.01683603 0.01922297 -0.02395714
-10.81900415 -2.57452805 14.01563917
-0.00144119 -0.00001015 0.00024136
0.00494337 -0.01874532 -0.01004892
-1.28958575 -24.56764205 14.26671118
-0.00095440 0.00038508 0.00118044
0.00348281 0.02394311 -0.00526491
-3.21486338 -22.42361269 13.37953767
0.00024489 0.00016394 -0.00022035
0.00993788 -0.00061207 0.00974322
-12.57930281 -7.99110382 -7.28404006
0.00090093 0.00130375 0.00052635
0.02679713 -0.01012078 -0.02188620
-10.33515234 -7.22260162 -9.19865716
0.00042092 0.00094136 -0.00126386
0.01279759 0.03923041 -0.01156807
-15.99624042 -10.36584366 -15.08748064
-0.00027355 -0.00053759 -0.00074369
-0.00532202 0.03654734 -0.01570488
-14.29805500 -8.06815640 -16.07060103
-0.00015648 -0.00006350 -0.00027593
-0.00288596 0.00121295 0.00387042
16.63612810 12.52688586 5.31239640
0.00041335 0.00032387 0.00022997
-0.00152524 -0.00315077 -0.00900956
17.28059421 13.98219703 2.98620967
0.00030165 -0.00034634 -0.00002234
-0.00019221 0.00654357 -0.00949243
18.94591614 -3.78677126 -15.23964226
-0.00059430 -0.00036195 0.00022425
-0.02584444 -0.00316842 -0.00033600
21.54960842 -3.34134508 -15.34648042
-0.00078117 -0.00067872 -0.00001488
0.02732913 0.01445368 -0.00292728
-2.07128367 7.26982596 -13.75133203
0.00107962 0.00007855 -0.00036391
0.00251738 0.00005320 0.00237561
0.15834859 6.62836146 -15.39461087
-0.00060689 0.00029225 -0.00026222
-0.00436724 0.01678375 -0.00016108
1.01350828 0.32127283 -15.25589777
0.00015101 0.00038093 -0.00059598
-0.00330518 0.00034834 0.00115578
2.79073412 -1.23007597 -17.03836879
-0.00018316 0.00052661 -0.00096762
-0.03237775 0.00334998 0.01183106
11.89636068 22.89735834 -22.85132842
0.00140554 0.00081432 0.00037905
-0.00241926 0.03574079 0.00759332
9.62792019 20.85929985 -23.23322563
-0.00008703 -0.00020246 0.00000947
0.02722714 0.01592438 0.00706816
-10.21883568 16.29909283 -16.88409667
0.00079362 0.00034137 -0.00093769
-0.01163702 -0.01318249 0.00905198
-10.49128392 14.65281029 -14.33164431
-0.00102634 0.00027454 0.00058030
0.01077056 -0.00174563 0.01119634
2.47622400 18.22081758 11.08399999
0.00037926 0.00102378 -0.00007081
0.04263235 -0.02477941 0.00883139
4.72429355 17.78692452 9.32995668
-0.00011008 0.00026444 0.00008029
0.00214103 -0.00587433 0.01721485
-3.88253991 -10.41340743 -3.57271517
0.00071164 0.00012558 0.00071547
0.05005111 -0.01715764 0.02509655
-1.28528499 -11.03383646 -1.77449070
0.00013096 -0.00016682 0.00047020
-0.01573404 0.00324119 0.01033464
0.42459237 -6.63744204 4.79554908
-0.00011606 0.00001695 0.00011094
-0.01479730 0.00684705 0.00958268
2.95519019 -7.74361425 4.25047199
-0.00106394 -0.00060422 -0.00007761
0.01838247 -0.00645890 0.00634763
9.28309224 2.01839751 9.81444271
-0.00163470 0.00022419 -0.00033352
-0.00288898 -0.00170696 -0.01001685
9.42060416 3.44968814 7.26840064
0.00021238 -0.00017091 -0.00002100
0.00210485 -0.01866488 0.01320533
-7.57513094 -9.07108974 -4.54107753
-0.00066483 0.00021613 -0.00009387
-0.02187901 0.00454385 -0.01810122
-8.45851022 -10.25093146 -1.85660389
0.00021515 0.00020866 -0.00010716
0.01806274 0.01144402 -0.02717845
4.98172484 -13.83982505 -12.06526301
-0.00036819 0.00045574 0.00008955
0.01946602 -0.01266397 0.01271774
2.28559247 -13.38722662 -12.96706167
-0.00018682 -0.00007223 -0.00102828
-0.00772320 0.00392937 -0.00645308
1.35189801 -6.16838656 -0.01142740
-0.00045300 0.00080942 -0.00010880
-0.00025332 0.01995267 -0.01590404
-0.16844116 -3.77464744 -0.09909825
0.00022332 0.00002602 0.00025953
-0.00256848 0.00431330 -0.00458576
17.48540198 3.71372214 25.94058482
-0.00000837 -0.00031517 -0.00008730
0.00825394 -0.00354024 -0.01636662
16.05489088 2.87029038 28.22385607
0.00113118 0.00142406 0.00013546
-0.00187595 -0.00040410 0.00184212
-11.16996317 7.27993508 -3.99181211
0.00020433 -0.00027378 -0.00035770
0.03151010 0.00137176 -0.01186017
-8.39673960 7.28799068 -5.59292877
-0.00068894 -0.00082137 -0.00023502
-0.01172227 0.01237540 0.01057587
-6.38266188 16.21768924 -9.35338172
0.00008703 -0.00013020 0.00022009
-0.00384337 0.00322877 0.00585755
-4.77645562 14.17854791 -10.62323565
0.00009141 0.00003476 -0.00015899
0.00181689 -0.00329500 -0.00315445
3.01084546 10.49058442 -6.33851241
-0.00000093 -0.00013196 0.00046850
-0.00263038 -0.03155170 0.01423708
1.61918429 13.02507600 -6.39625421
-0.00014384 0.00046932 -0.00069183
-0.02904053 0.01473703 0.00552066
-2.81648598 10.89205093 -14.34387853
0.00145787 0.00000742 -0.00019910
-0.01884856 -0.00104235 0.00576019
-5.77069552 10.52647631 -13.58238354
0.00006307 0.00000360 0.00004610
0.00530033 -0.00743587 0.00290637
3.80470688 7.92731944 19.12567192
0.00006733 0.00017017 -0.00030370
0.00543564 0.00362218 0.01089147
1.92039544 6.85450382 17.27057323
0.00000341 0.00106459 -0.00023243
-0.01187325 -0.00418955 0.00269372
-13.22357314 8.70819443 -8.49980845
-0.00180700 -0.00018681 0.00027553
-0.01161227 -0.00097221 -0.00143905
-16.01223229 8.09827405 -7.61323669
0.00009604 -0.00025438 0.00044269
0.00825576 0.00441629 0.00173937
5.05962101 10.14836466 0.72219516
0.00039612 0.00042684 -0.00089907
0.05237627 0.02404240 -0.00857984
2.76929600 9.36656479 1.62893996
-0.00070283 0.00012891 0.00034560
-0.05904441 -0.00342726 0.04162992
14.10332504 -24.20113609 -25.54242989
0.00073516 0.00036795 0.00032872
0.00251085 0.00340756 -0.00311393
15.01375618 -23.34809482 -28.12014048
0.00012660 -0.00085972 0.00018857
-0.01074451 0.01172720 -0.03495181
4.92871206 3.31187323 -1.10235319
0.00038031 0.00010757 0.00016539
-0.02946708 -0.00579480 -0.01389440
5.03456290 5.94741019 0.26166471
-0.00053409 -0.00047934 -0.00020064
0.00117826 -0.00678637 -0.00415421
17.05390159 -3.81180672 -0.55270349
-0.00082637 -0.00049124 0.00010768
0.00718455 -0.01202671 0.01562868
16.74299205 -6.69547448 -0.86720037
0.00053195 0.00068730 -0.00000616
-0.00572491 0.01592790 0.02635953
-5.57812858 3.46001000 -1.65636530
-0.00137845 -0.00001743 0.00133709
-0.00665274 -0.00820027 -0.00667341
-5.00598743 0.80593509 -3.15563177
-0.00017675 -0.00049097 -0.00043253
0.00286843 0.03789120 0.00212947
2.53975958 2.86660375 -11.07221927
0.00022608 0.00020617 0.00008587
-0.02668061 -0.00861810 -0.03060160
0.07326040 1.46082945 -10.54970912
-0.00128791 0.00036390 0.00093008
0.00555787 0.00333437 -0.02650500
16.89541722 7.89916518 -8.51661622
-0.00067770 -0.00110071 0.00084786
-0.01797474 0.00289095 0.01173942
16.70361344 10.57846076 -7.52913543
-0.00099054 0.00021231 0.00083176
-0.00382261 0.01633357 0.00323740
-6.25588664 0.52922971 10.86482910
-0.00069576 0.00009254 0.00107111
-0.00137934 -0.00749835 -0.01985753
-7.89051774 1.63831749 13.05631246
0.00009738 0.00057990 -0.00059696
0.03725007 -0.01561902 0.00055027
-2.28075027 -15.82576851 14.04935863
0.00091099 -0.00111725 -0.00008769
-0.02094127 -0.02709418 -0.02071561
-4.13299710 -18.09311104 12.55759275
-0.00098394 0.00045240 -0.00013925
0.02477025 0.05111482 0.00776036
7.16663968 -6.51600491 -4.08876539
0.00009848 0.00035844 0.00003987
0.00385600 0.00384282 -0.00966226
5.63699522 -8.38852137 -5.73599167
-0.00017822 0.00020097 -0.00122614
0.01384450 0.01552242 -0.00940668
-2.87986321 -11.75723103 2.50739854
0.00045932 0.00032307 -0.00039988
-0.00046219 0.00126408 -0.00323490
-0.36904048 -10.33401711 2.87748541
0.00033116 -0.00045969 -0.00024065
-0.00067438 0.00096970 -0.00538070
-15.25799993 -0.90584884 5.96321266
0.00075716 -0.00042430 -0.00086279
0.01656078 0.01395950 0.01171646
-16.17666733 -1.61293201 3.20601909
-0.00008638 -0.00033938 -0.00075022
0.00832168 0.00002209 -0.00519163
-9.55388668 4.92818911 -22.99535592
-0.00019803 -0.00022308 -0.00030716
-0.00109007 0.00904226 -0.00679212
-8.99609924 4.83639285 -20.19401991
0.00003149 -0.00040888 -0.00017088
-0.00240323 0.02609042 0.03549620
2.04417735 1.46952299 -3.06992965
0.00027736 0.00023885 0.00014665
-0.02146244 -0.00126266 -0.06055119
0.65626887 0.80478658 -0.36174183
0.00068892 -0.00060332 -0.00002224
0.02091410 0.00887880 -0.03191884
13.64172482 9.82218424 4.22130543
-0.00000684 -0.00052568 -0.00084835
0.01933639 0.02269453 -0.00270703
11.24310577 9.50988772 2.49818218
0.00063394 -0.00028862 0.00064812
0.01621979 -0.00462278 0.01015006
5.48727651 -8.97350171 -10.68227679
-0.00005673 -0.00026286 0.00012244
-0.00028373 -0.00193883 0.00382942
-13.01690495 10.44636782 21.11363372
-0.00006546 -0.00003938 0.00014843
0.01180321 -0.00085159 -0.00012726
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06916116
0.31843769
424.30225949
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1893131422
ExchangeOperator: bisection time: 1.608 s
total exchange = -52.3693219487 (a.u.)
total exchange computation time: 3.4821569920 s
-154.1470056691
-931.38747083
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1893131422
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3689060898 (a.u.)
total exchange computation time: 3.4817769527 s
-154.1515260875
Anderson extrapolation: theta=1.3452442029 (1.3452442029)
-931.38773052
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1893131422
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3682540648 (a.u.)
total exchange computation time: 3.4830029011 s
-154.1583328195
Anderson extrapolation: theta=0.0533520818 (0.0533520818)
-931.38788601
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1893131422
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.3681459734 (a.u.)
total exchange computation time: 3.4821460247 s
-154.1593077111
Anderson extrapolation: theta=2.0099092581 (2.0000000000)
-931.38789248
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1893131422
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3679102897 (a.u.)
total exchange computation time: 3.4803609848 s
-154.1613554025
Anderson extrapolation: theta=0.2408803683 (0.2408803683)
-931.38790002
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1893131422
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.3678515918 (a.u.)
total exchange computation time: 3.4845571518 s
-154.1618100083
Anderson extrapolation: theta=1.8036432720 (1.8036432720)
-931.38790167
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1893131422
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3677687012 (a.u.)
total exchange computation time: 3.4820809364 s
-154.1624036838
Anderson extrapolation: theta=0.2869474835 (0.2869474835)
-931.38790378
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1893131422
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3677678224 (a.u.)
total exchange computation time: 3.4861061573 s
-154.1623610095
Anderson extrapolation: theta=1.2663862258 (1.2663862258)
-931.38790433
239.293589 32.002231 245.687884
-140.936790 489.314556 -803.242405
98.356799 521.316787 -557.554521
769.618279
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1893131422
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3677834732 (a.u.)
total exchange computation time: 3.4818038940 s
678.83403016
-1083.47565461
89.70836121
-389.28440203
-174.80245608
78.16049753
551.60419304
0.00000000
-931.38790481
-8.82837863 -3.71493432 3.26316133
0.00008516 -0.00022699 0.00007153
0.01082229 0.00494023 0.00483422
-17.90619458 4.75048581 6.65878615
-0.00000569 -0.00036473 -0.00011277
-0.01201200 -0.04129961 -0.02800286
-15.70550915 -0.98544697 0.57629003
0.00019180 0.00034784 0.00019594
-0.01953942 -0.02796717 -0.04177741
3.57651999 -20.68518163 15.77719337
-0.00045000 0.00001117 -0.00032892
0.02828695 -0.01298521 0.01883799
7.34346817 15.81842998 -1.25848013
0.00020571 0.00012799 -0.00028366
0.00862445 0.02791582 0.03639764
-9.73748849 9.72732571 11.04467363
-0.00004134 -0.00013683 0.00016722
0.01255449 -0.02911362 0.00583011
-8.01458357 -0.71314557 -14.04955886
-0.00039318 0.00023214 -0.00031964
0.03559512 -0.02743380 -0.01031179
-10.78395245 2.10500706 -7.45598810
-0.00017268 0.00013437 0.00052742
-0.01724121 -0.01929277 0.00026698
-0.17406118 -5.73157829 15.02017554
-0.00010959 -0.00007136 0.00015121
0.00192938 0.00457834 0.03038669
-25.21660355 -0.52318065 -20.86136593
-0.00046374 -0.00019576 0.00010392
0.01481407 0.01468336 0.03167291
8.89997698 7.50066773 7.84842181
0.00000999 0.00009731 0.00000786
-0.00996303 -0.01374176 0.00417194
20.77050979 28.75208313 -4.80470561
-0.00003001 0.00007794 -0.00011193
-0.00073344 0.01710526 -0.01249973
7.76667392 -1.62304937 -7.16649544
0.00000510 0.00014903 -0.00007226
0.01882452 -0.04782265 -0.00577804
-9.59314205 -3.61221663 13.05217158
0.00045082 0.00016305 0.00038771
-0.02959221 -0.00483919 0.03205467
-1.43499072 -22.72054932 13.84873864
0.00021436 -0.00005184 0.00004239
-0.00359600 -0.02257354 0.00442711
-11.07027353 -8.62486826 -8.43263994
-0.00008064 -0.00043607 0.00035137
-0.04091023 -0.00778662 0.03448469
-16.04397912 -8.51428215 -15.59933406
0.00030182 0.00001174 0.00008630
-0.00252964 -0.04097626 0.01150403
16.34847547 12.51206146 3.46623822
0.00039525 0.00028279 0.00004211
0.00085162 -0.00558316 0.02445681
20.43090421 -4.63764593 -14.72768857
-0.00023027 0.00018263 0.00000591
-0.00703248 -0.02038117 0.00623896
-0.78204059 8.11347789 -14.76616547
0.00038377 0.00015570 -0.00021552
0.00546025 -0.02191245 0.00243958
0.85935833 -0.92731780 -16.61217823
-0.00021115 0.00009492 -0.00032496
0.03532199 0.00580435 -0.00784196
11.48974412 21.17525847 -23.03665717
0.00020921 -0.00032033 -0.00016326
-0.01697349 -0.03560800 -0.01203213
-11.29385453 15.10076104 -15.87022816
0.00003700 0.00019531 -0.00041346
0.00665800 0.01761435 -0.02424670
4.24898896 17.41954539 11.09536493
0.00031975 0.00018232 -0.00028896
-0.04749070 0.03280251 -0.02716933
-2.00841949 -11.04906910 -3.47294688
-0.00025905 -0.00018488 -0.00030517
-0.03538241 0.01638602 -0.01949205
1.23338631 -7.83263263 3.69875679
-0.00006006 -0.00061009 -0.00004777
-0.00567991 0.00868219 -0.00601476
9.54536713 1.71749115 8.01668935
0.00013938 0.00024830 0.00020973
-0.00082386 0.02185700 -0.00013163
-7.02696521 -9.54401928 -2.91679652
0.00026816 0.00017918 -0.00012073
-0.00187926 -0.00809894 0.03984419
3.95073661 -12.63855983 -12.88551373
0.00005007 0.00024247 -0.00010111
-0.01810830 0.01553387 -0.00989246
1.07557365 -4.65474487 -1.10589049
0.00019262 0.00002008 0.00020006
-0.00049912 -0.01942721 0.01574020
16.72553291 4.36572154 27.40995423
0.00029517 0.00004785 -0.00031769
-0.00451304 0.01074295 0.01468885
-9.61223647 6.34639794 -4.54673718
0.00014142 -0.00029705 0.00006964
-0.02680713 -0.01500058 0.01299794
-5.18395691 14.89691862 -8.99346501
0.00019843 0.00007201 -0.00034440
0.00956400 -0.00305507 0.00033367
3.11093225 12.18784636 -6.83595768
-0.00012194 -0.00001078 0.00005762
0.02778218 0.01118448 -0.02024542
-4.38884149 11.71185062 -13.75520115
0.00023282 0.00021034 -0.00002461
0.01211166 0.00664861 -0.00284394
3.71921248 7.20071059 17.46174475
0.00033943 -0.00004580 -0.00001213
0.00206567 -0.00178498 -0.02194973
-15.00419541 8.85356886 -8.96478829
-0.00026582 -0.00001693 -0.00037652
-0.00784436 -0.00707713 0.00797167
3.74922590 9.09332255 0.24038373
-0.00004218 0.00030183 0.00036589
0.00240653 -0.02171489 -0.03088053
15.61990986 -23.97964454 -26.59856061
0.00024632 -0.00001469 -0.00025192
0.01090341 -0.01819694 0.05065362
5.89063221 4.33357473 -0.02977009
-0.00034004 -0.00018067 0.00018928
0.03969263 0.01477422 0.02851709
16.93994473 -5.35405102 0.49279319
0.00016557 0.00013602 -0.00005929
0.00708171 -0.00815088 -0.04758375
-4.43634038 2.63992174 -2.84054862
-0.00022577 -0.00033575 0.00011928
-0.00755923 -0.01905063 0.01228519
0.98342073 2.28834557 -12.00319686
-0.00003162 0.00018828 0.00019196
0.01754467 -0.00185054 0.05080173
15.68648160 9.08408584 -7.52254305
-0.00023068 -0.00011086 0.00005290
0.02306554 -0.02840893 -0.01329400
-6.09826727 0.97104354 12.61516028
-0.00030075 -0.00013948 0.00032111
-0.03942438 0.03014501 0.02104614
-3.38233923 -16.25313513 12.49668067
-0.00020908 0.00018854 0.00047931
-0.00394645 -0.02770821 0.01663104
6.99692828 -7.06548304 -5.88816978
-0.00000950 0.00007092 -0.00015229
-0.01037600 -0.01033195 0.00040442
-1.21551788 -11.54607717 1.76308490
0.00012356 0.00014707 -0.00020735
0.00259425 -0.00904030 -0.00407973
-16.47055884 -1.80599112 5.02799200
0.00033764 0.00012429 0.00024892
-0.02886842 -0.02156992 0.00876750
-8.90108031 3.87521162 -21.67459984
-0.00031678 -0.00049242 -0.00043230
0.00679098 -0.02889039 -0.03096197
2.18539198 1.29068046 -1.35793249
-0.00005395 -0.00005022 0.00013830
-0.00423292 -0.01647484 0.08352466
12.32865492 8.70696042 3.82178047
0.00017867 -0.00022306 0.00001779
-0.04170004 -0.02382681 -0.01320604
-7.30750440 -4.37046843 2.20147143
0.00111530 0.00033129 0.00052279
-0.03397133 0.01140126 0.01246816
-9.69037759 -2.28374466 2.41311408
-0.00120678 -0.00177726 0.00091290
0.01404781 -0.02122280 -0.00197266
-16.78641972 6.07949615 6.93332199
0.00024536 -0.00050853 -0.00032449
0.02674650 0.03345052 0.00898009
-17.02539500 3.78912085 5.32026658
0.00042576 0.00002839 -0.00001602
-0.01628557 0.00933654 0.01424708
-15.62763516 0.81376556 0.73433304
-0.00019089 -0.00073719 0.00017639
-0.00332346 0.02180652 -0.00163893
-17.23549208 -1.35707332 -0.51905940
-0.00059856 -0.00192663 -0.00021003
0.02226362 0.01285528 0.01991778
2.08810072 -21.24834804 14.94803861
-0.00020111 -0.00024589 0.00042012
-0.01849647 0.00884141 -0.01094873
4.04967534 -18.93939312 15.71396566
0.00042708 0.00031577 0.00024999
-0.01477043 0.00964665 -0.00518655
8.35835004 14.29216712 -1.10360569
0.00015696 0.00040301 -0.00086427
0.00192771 -0.01207079 0.00496119
7.91348073 16.94989160 0.13431982
-0.00065248 -0.00047590 0.00076464
-0.00941939 -0.01719281 -0.02368557
-8.64683557 8.99811150 12.39897270
0.00019415 0.00012914 0.00040657
0.00053032 0.00252361 -0.01921745
-10.32344689 11.05408362 12.14750143
-0.00025438 0.00052805 -0.00036576
-0.01583597 0.02582256 -0.00045368
-9.53511923 0.19983507 -13.83352310
0.00005991 -0.00035707 -0.00077151
-0.03120222 0.00906072 -0.01072211
-8.23089878 -2.06131534 -15.34599589
0.00013578 0.00009532 0.00116865
-0.00397119 0.02062641 0.00969035
-12.13181988 1.09759232 -6.64037062
-0.00030691 0.00042729 -0.00085818
0.01585323 0.00177290 -0.01568638
-10.40914622 3.35474138 -6.20183013
-0.00024253 0.00064060 0.00109255
0.00854286 0.02407066 0.01085399
-1.85239621 -6.19396932 14.47127002
0.00040633 0.00085363 0.00006390
-0.01026031 -0.00749764 -0.00104833
-0.21138143 -5.80842706 16.90925479
-0.00006665 -0.00010609 0.00052723
0.00002496 0.00580392 -0.02443129
-24.48517325 -0.35150983 -19.09654528
-0.00099853 -0.00040631 0.00059606
-0.00854648 -0.00215896 -0.03472590
-25.59689737 1.17941875 -21.49510787
-0.00026096 0.00037966 0.00022473
0.00435431 -0.01354961 0.00068566
9.72564662 8.43289694 6.53469640
-0.00117725 0.00098149 0.00066687
0.01267198 0.00114907 -0.01202332
10.04469279 7.66143607 9.27027857
-0.00002768 -0.00055830 -0.00014837
0.00244238 0.00879191 0.00231763
19.76865693 27.41680391 -4.06961997
0.00008401 0.00009788 -0.00025712
-0.00542281 -0.00802122 0.00349959
20.08904780 30.48115341 -4.25644413
-0.00047430 0.00050687 -0.00014209
0.01311084 -0.01516640 -0.00065645
6.53323797 -0.42006852 -6.86048573
0.00008342 0.00023761 0.00015774
-0.03694991 0.03525996 0.00626834
6.73879474 -3.19228710 -7.20602988
0.00015743 -0.00069440 -0.00013563
0.01862487 0.00779928 -0.00022649
-8.73272742 -2.40216872 12.10845159
0.00054841 -0.00028905 0.00046664
0.01803539 0.02231677 -0.02541125
-10.84047059 -2.57525475 14.01895168
-0.00141111 -0.00009212 0.00019284
0.00978542 -0.02137889 -0.01370355
-1.30379503 -24.56113214 14.28425651
-0.00093820 0.00047964 0.00115874
0.00444780 0.02234193 -0.00535944
-3.21088557 -22.42117241 13.37653100
0.00028610 0.00016194 -0.00018012
0.01023919 -0.00036503 0.00994926
-12.56496769 -7.97185764 -7.27681546
0.00100804 0.00125943 0.00043685
0.02563524 -0.01157827 -0.02192450
-10.32844640 -7.20727901 -9.21796959
0.00045711 0.00106953 -0.00129422
0.00491994 0.02350519 -0.00329038
-16.00050673 -10.37278763 -15.09911721
-0.00029444 -0.00038530 -0.00080746
-0.00490416 0.03799936 -0.01550981
-14.30049060 -8.06907179 -16.07462139
-0.00016356 -0.00005784 -0.00026121
-0.00058111 0.00155762 0.00333671
16.64228156 12.53164742 5.31556981
0.00040672 0.00031077 0.00019127
-0.00172056 -0.00326550 -0.00993328
17.28511309 13.97720245 2.98558370
0.00030523 -0.00031271 -0.00006331
0.00194373 0.00991621 -0.01056499
18.93620973 -3.79229756 -15.23628888
-0.00069883 -0.00037501 0.00022308
-0.02532612 -0.00322548 -0.00023475
21.53872827 -3.35108296 -15.34679335
-0.00066187 -0.00061004 -0.00003109
0.03106851 0.01916529 -0.00500621
-2.05501224 7.27100587 -13.75671793
0.00108291 0.00007669 -0.00034892
-0.00090803 -0.00096333 0.00496395
0.14911138 6.63325946 -15.39854915
-0.00061884 0.00035478 -0.00026701
-0.00148254 0.01382918 -0.00218448
1.01567222 0.32699747 -15.26480208
0.00013726 0.00038171 -0.00059135
-0.00342820 0.00003408 0.00111054
2.78699457 -1.22207411 -17.05252053
-0.00031645 0.00054003 -0.00091785
-0.03287067 0.00321962 0.01253214
11.91736961 22.91066839 -22.84540998
0.00138858 0.00093497 0.00040793
-0.00588042 0.02331496 0.00654234
9.62744914 20.85675099 -23.23286703
0.00002687 -0.00013580 0.00003829
0.02852676 0.01670170 0.00704035
-10.20728793 16.30380940 -16.89788466
0.00074252 0.00028322 -0.00089586
-0.01337610 -0.01528338 0.01142539
-10.50634900 14.65687485 -14.32259674
-0.00098471 0.00026991 0.00061961
0.00960961 -0.00051786 0.00804570
2.48321926 18.23541495 11.08320844
0.00055498 0.00092109 -0.00003435
0.04338412 -0.02548732 0.00901776
4.72270794 17.79071107 9.33168855
-0.00009884 0.00024139 0.00014427
0.00336206 -0.00540740 0.01410391
-3.87033164 -10.41204944 -3.56121413
0.00090790 0.00005760 0.00081490
0.04602065 -0.01612293 0.02357599
-1.28380279 -11.03623944 -1.76712097
0.00006316 -0.00015426 0.00050113
-0.01745322 0.00290491 0.00480230
0.42239802 -6.63697794 4.79750688
-0.00017283 0.00003854 0.00014421
-0.01298910 0.00371872 0.00670309
2.93979440 -7.75287550 4.24950239
-0.00097337 -0.00063018 -0.00004737
0.02595390 -0.00624863 0.00845391
9.25848315 2.02170809 9.80913299
-0.00164631 0.00021758 -0.00037045
-0.00279348 -0.00153052 -0.00806367
9.42385442 3.44655260 7.26849023
0.00022076 -0.00024370 0.00003129
0.00199635 -0.01696824 0.01239363
-7.58577382 -9.06770860 -4.54304027
-0.00075145 0.00023334 -0.00016279
-0.02052443 0.00388160 -0.01563607
-8.45472951 -10.24745088 -1.85904416
0.00028922 0.00025528 -0.00021721
0.01819647 0.01137478 -0.02668861
4.97679849 -13.83337697 -12.06353010
-0.00028615 0.00040062 0.00014355
0.02069215 -0.01431983 0.01371623
2.28255355 -13.38818962 -12.98268354
-0.00021254 -0.00005371 -0.00105407
-0.00486805 0.00513668 -0.00617489
1.34509528 -6.15563386 -0.01354675
-0.00045091 0.00088006 -0.00016757
0.00127555 0.01462548 -0.01286324
-0.16517004 -3.77412502 -0.09534578
0.00021257 0.00004474 0.00023994
-0.00269460 0.00485348 -0.00500251
17.48552932 3.70888607 25.93877376
0.00002648 -0.00033066 -0.00015627
0.00880693 -0.00404038 -0.01739241
16.07180106 2.89163884 28.22594441
0.00111617 0.00140644 0.00015198
-0.00546825 -0.00822117 0.00624262
-11.16593267 7.27587035 -3.99754106
0.00033075 -0.00026733 -0.00040514
0.03037375 0.00178649 -0.01136147
-8.40743294 7.27604935 -5.59613003
-0.00073046 -0.00076619 -0.00019691
-0.00859991 0.01463691 0.00808177
-6.38147421 16.21583515 -9.34990087
0.00006973 -0.00011547 0.00024287
-0.00462683 0.00398229 0.00529305
-4.77502878 14.17896833 -10.62571723
0.00009899 0.00002065 -0.00017420
0.00189347 -0.00361001 -0.00428724
3.01075093 10.48763818 -6.33104868
-0.00001194 -0.00025507 0.00052531
-0.00276004 -0.02871337 0.01357507
1.61613684 13.03256733 -6.40646254
-0.00026076 0.00052790 -0.00066994
-0.02819298 0.01393977 0.00519831
-2.79519548 10.89213025 -14.34668854
0.00136772 0.00000875 -0.00017106
-0.02528112 0.00169579 0.00796446
-5.76958712 10.52630242 -13.58160291
0.00008814 -0.00002467 0.00005748
0.00697253 -0.00640110 0.00266151
3.80588333 7.92998293 19.12145011
0.00009039 0.00018613 -0.00025596
0.00585384 0.00419146 0.01247952
1.92008269 6.87034432 17.26716933
-0.00004312 0.00104679 -0.00022163
-0.01089935 -0.00452425 0.00259054
-13.25103403 8.70536253 -8.49571961
-0.00183287 -0.00019106 0.00027274
-0.00105107 -0.00111057 0.00007294
-16.01053877 8.09459364 -7.60654303
0.00013078 -0.00023291 0.00044343
0.00875022 0.00609508 -0.00137698
5.06716773 10.15550399 0.70844624
0.00060523 0.00052285 -0.00093302
0.04998735 0.02295690 -0.00804006
2.75694427 9.36839342 1.63539966
-0.00093474 0.00011508 0.00050727
-0.05447981 -0.00334503 0.03750995
14.11442932 -24.19551236 -25.53759448
0.00074337 0.00038159 0.00031659
0.00151114 0.00326566 -0.00282631
15.01532589 -23.36063126 -28.11838294
0.00007804 -0.00080796 0.00003550
-0.01302580 0.01361110 -0.03998020
4.93351373 3.31330920 -1.10029813
0.00025555 0.00007795 0.00010284
-0.03160242 -0.00870595 -0.01672564
5.02658770 5.94001214 0.25852776
-0.00053027 -0.00050392 -0.00021673
0.00069213 -0.00524531 -0.00371904
17.04172620 -3.81954393 -0.55060942
-0.00079583 -0.00053119 0.00016684
0.00776412 -0.00752598 0.01333183
16.75079592 -6.68467691 -0.86648501
0.00050738 0.00074695 0.00009862
-0.00630415 0.01327091 0.02493039
-5.59900923 3.45949732 -1.63651349
-0.00139124 -0.00006143 0.00129468
0.00039104 -0.01333884 -0.01408449
-5.00855083 0.79973165 -3.16205452
-0.00016512 -0.00033535 -0.00042300
0.00282551 0.03828690 0.00253515
2.54233319 2.86943215 -11.07186898
0.00011526 0.00016983 -0.00003849
-0.02756521 -0.00916916 -0.03027379
0.05411208 1.46639010 -10.53657016
-0.00125692 0.00038241 0.00081329
0.00960923 0.00572739 -0.03066457
16.88470096 7.88274315 -8.50353853
-0.00074770 -0.00108531 0.00089499
-0.01629381 0.00464666 0.01133146
16.68863825 10.58214594 -7.51655983
-0.00100383 0.00027810 0.00084356
-0.00268701 0.01587151 0.00253878
-6.26636524 0.53038801 10.88028730
-0.00070086 0.00005856 0.00097815
-0.00111851 -0.00913412 -0.02564952
-7.88791551 1.64653736 13.04737491
0.00024644 0.00051666 -0.00059143
0.03571199 -0.01533697 0.00215595
-2.26772716 -15.84335745 14.04740851
0.00082449 -0.00122562 -0.00017064
-0.02140230 -0.02595729 -0.01989085
-4.14699711 -18.08475876 12.55574175
-0.00088131 0.00066008 -0.00010711
0.02546555 0.05054928 0.00797407
7.16823511 -6.51051052 -4.08846347
0.00011228 0.00037215 -0.00000279
0.00289488 0.00286693 -0.01121950
5.63474617 -8.38503120 -5.75467208
-0.00012223 0.00026379 -0.00126214
0.01356401 0.01522834 -0.00821414
-2.87298760 -11.75234629 2.50130117
0.00045154 0.00032734 -0.00041053
-0.00334492 0.00082807 -0.00197936
-0.36409378 -10.34088275 2.87371075
0.00033028 -0.00045242 -0.00026001
0.00024677 0.00258982 -0.00409440
-15.24613507 -0.91178556 5.95062987
0.00083146 -0.00036242 -0.00080991
0.01980809 0.01632976 0.01416822
-16.17770807 -1.61802203 3.19460667
-0.00005349 -0.00034001 -0.00076091
0.00777719 -0.00033260 -0.00004165
-9.55689048 4.92512006 -23.00017150
-0.00020238 -0.00018633 -0.00033447
-0.00103954 0.00894633 -0.00657559
-8.99570051 4.83105918 -20.19549542
0.00002205 -0.00030576 -0.00003092
-0.00221758 0.02438834 0.03301800
2.04768007 1.47306709 -3.06958531
0.00018968 0.00023349 -0.00009844
-0.02145954 -0.00136347 -0.05942479
0.66724356 0.79600883 -0.36305348
0.00076762 -0.00056826 -0.00014926
0.01760893 0.00828197 -0.03025895
13.64221468 9.81499452 4.20849722
0.00007986 -0.00042774 -0.00085653
0.02310786 0.02524848 -0.00129853
11.25311184 9.50541679 2.50821499
0.00069415 -0.00030461 0.00068310
0.01325272 -0.00320600 0.00697190
5.48642481 -8.97744981 -10.68042992
-0.00005681 -0.00026353 0.00012377
-0.00018643 -0.00178485 0.00360953
-13.01786635 10.44577559 21.11585999
-0.00006273 -0.00003958 0.00014838
0.01172132 -0.00081047 -0.00033681
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06907944
0.31882537
424.81882501
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1886641428
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3739223595 (a.u.)
total exchange computation time: 3.3236718178 s
-154.1586692422
-931.38837436
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1886641428
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3734582598 (a.u.)
total exchange computation time: 3.3225119114 s
-154.1635967141
Anderson extrapolation: theta=1.3517097248 (1.3517097248)
-931.38863191
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1886641428
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3727388557 (a.u.)
total exchange computation time: 3.3212089539 s
-154.1709764843
Anderson extrapolation: theta=0.0531382481 (0.0531382481)
-931.38878603
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1886641428
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3726283834 (a.u.)
total exchange computation time: 3.3226139545 s
-154.1719733158
Anderson extrapolation: theta=1.9806448566 (1.9806448566)
-931.38879207
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1886641428
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3723913272 (a.u.)
total exchange computation time: 3.3238649368 s
-154.1740386917
Anderson extrapolation: theta=0.2237801209 (0.2237801209)
-931.38879867
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1886641428
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3723364508 (a.u.)
total exchange computation time: 3.3259367943 s
-154.1744616594
Anderson extrapolation: theta=1.8367768464 (1.8367768464)
-931.38879994
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1886641428
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3722572890 (a.u.)
total exchange computation time: 3.3210852146 s
-154.1750178055
Anderson extrapolation: theta=0.2716943876 (0.2716943876)
-931.38880146
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1886641428
ExchangeOperator: bisection time: 1.608 s
total exchange = -52.3722568290 (a.u.)
total exchange computation time: 3.3244249821 s
-154.1749640169
Anderson extrapolation: theta=1.3091314052 (1.3091314052)
-931.38880180
239.282251 32.018657 245.733532
-140.953606 489.338315 -803.259001
98.328646 521.356971 -557.525470
769.620857
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1886641428
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3722709264 (a.u.)
total exchange computation time: 3.3221039772 s
678.91038364
-1083.62133830
89.69531633
-389.18646186
-174.81443092
78.23930027
551.60419304
0.00000000
-931.38880203
-8.82705954 -3.71832017 3.26425290
0.00009170 -0.00022595 0.00007482
0.01464036 -0.00088966 0.00795886
-17.90632627 4.74485556 6.65698657
-0.00001160 -0.00038556 -0.00012703
-0.01094854 -0.03968513 -0.02742634
-15.70270750 -0.98033726 0.57906804
0.00018046 0.00033038 0.00017350
-0.02455764 -0.03993071 -0.04550766
3.56987911 -20.68506421 15.77233219
-0.00043416 0.00000567 -0.00031866
0.03329284 -0.00839416 0.02107558
7.34658714 15.82045757 -1.26259462
0.00020982 0.00014283 -0.00026485
0.00733841 0.02978063 0.03674456
-9.73806019 9.72516099 11.04720445
-0.00003493 -0.00015144 0.00017052
0.01237003 -0.02770193 0.00699623
-8.02034391 -0.70976932 -14.05439330
-0.00037338 0.00021838 -0.00032394
0.04138385 -0.02606701 -0.00640385
-10.78660912 2.10694823 -7.44807572
-0.00018039 0.00012616 0.00052795
-0.01273218 -0.01265531 0.00176086
-0.17569761 -5.73263102 15.02256097
-0.00010734 -0.00006870 0.00016778
0.00680699 0.00577605 0.03401684
-25.22350246 -0.52606033 -20.85968498
-0.00045627 -0.00018755 0.00012023
0.01421214 0.01721611 0.03174964
8.90008835 7.50207437 7.84855578
0.00000410 0.00008962 0.00001046
-0.01292574 -0.01614788 0.00593140
20.77005685 28.75331815 -4.80643274
-0.00003039 0.00008731 -0.00011829
-0.00076002 0.01934246 -0.01223009
7.76682298 -1.62099845 -7.16760160
0.00001421 0.00012387 -0.00007525
0.01660260 -0.05000370 -0.00585151
-9.58649393 -3.60978951 13.05811081
0.00043430 0.00016057 0.00040515
-0.03464939 -0.00481960 0.03578559
-1.43178922 -22.72141399 13.84939160
0.00021216 -0.00006292 0.00004460
-0.00494019 -0.02050846 0.00417429
-11.07164097 -8.63143934 -8.42723634
-0.00009940 -0.00043593 0.00036691
-0.03202427 0.00832049 0.02593980
-16.03946160 -8.51426414 -15.59799514
0.00029979 -0.00000956 0.00009230
-0.00536490 -0.04184741 0.01180453
16.35440755 12.51628183 3.46696421
0.00039521 0.00027910 0.00005511
-0.00101543 -0.00878356 0.02608331
20.42742302 -4.63498512 -14.72757582
-0.00023499 0.00017122 0.00000953
-0.01131873 -0.02399958 0.00782737
-0.77626301 8.11572886 -14.76938879
0.00038663 0.00014558 -0.00021440
0.00568050 -0.01743185 0.00189541
0.85632730 -0.92587165 -16.61708288
-0.00019292 0.00009802 -0.00032905
0.03557018 0.00625303 -0.00806606
11.49281674 21.17031610 -23.03915243
0.00020127 -0.00033564 -0.00016910
-0.01390729 -0.02390740 -0.01067739
-11.29327388 15.10375864 -15.87652365
0.00004115 0.00020446 -0.00042553
0.00947808 0.01798285 -0.02268789
4.25360205 17.42240668 11.09092571
0.00029507 0.00019909 -0.00030205
-0.04847573 0.03240036 -0.02373658
-2.01244171 -11.05177909 -3.47759962
-0.00027550 -0.00017673 -0.00031341
-0.02860508 0.01531683 -0.01254111
1.23246350 -7.84175054 3.69801700
-0.00006524 -0.00060475 -0.00005056
-0.01446993 0.01211344 -0.00483480
9.54745461 1.72129997 8.01983480
0.00013902 0.00025891 0.00020936
-0.00057549 0.01939119 -0.00129952
-7.02295008 -9.54136287 -2.91845381
0.00026681 0.00017533 -0.00010129
-0.00336896 -0.00686542 0.03577189
3.95141778 -12.63486292 -12.88706848
0.00003987 0.00025037 -0.00010645
-0.02156519 0.01518307 -0.01088979
1.07846104 -4.65451867 -1.10282885
0.00019198 0.00001152 0.00020735
-0.00197528 -0.01384859 0.01261959
16.72994301 4.36648072 27.40524558
0.00029371 0.00005548 -0.00031126
-0.00115824 0.01893188 0.01031715
-9.61021861 6.34188432 -4.54564248
0.00012723 -0.00030548 0.00007684
-0.02834882 -0.01779653 0.01502911
-5.18094358 14.89798700 -8.99862978
0.00020350 0.00007037 -0.00034385
0.01013707 -0.00332802 0.00183426
3.10921025 12.18772778 -6.83517153
-0.00010811 -0.00000561 0.00004758
0.02602868 0.00893353 -0.01879663
-4.38530247 11.71503132 -13.75558126
0.00024002 0.00021288 -0.00002652
0.01589208 0.00324901 -0.00457819
3.72431194 7.20001666 17.46147807
0.00034001 -0.00004681 -0.00002364
0.00016474 -0.00213964 -0.02278837
-15.00821291 8.85328757 -8.97040527
-0.00027279 -0.00002089 -0.00037210
-0.01927453 -0.00831655 0.00918889
3.74860249 9.09776624 0.24575301
-0.00004146 0.00029125 0.00035145
0.00039111 -0.01944440 -0.02526823
15.62364676 -23.97993503 -26.60214407
0.00025254 -0.00002432 -0.00022514
0.01325917 -0.01926653 0.05350181
5.88568466 4.33092165 -0.02682090
-0.00031912 -0.00017287 0.00020435
0.04169104 0.01555753 0.03007061
16.94245556 -5.35204220 0.49172036
0.00016927 0.00013143 -0.00008254
0.00731554 -0.00967179 -0.04285988
-4.43975604 2.63481203 -2.83871199
-0.00023119 -0.00034429 0.00012720
-0.01351652 -0.01416262 0.01851479
0.98301405 2.29116268 -12.00012147
-0.00002347 0.00018687 0.00021872
0.01415196 -0.00362978 0.05324227
15.68311040 9.08231333 -7.52180084
-0.00021943 -0.00012564 0.00004640
0.02065753 -0.02904284 -0.01197503
-6.10293067 0.96906757 12.62005817
-0.00032050 -0.00012379 0.00033272
-0.03735800 0.03086772 0.02408341
-3.38549059 -16.25041384 12.50393445
-0.00021122 0.00017426 0.00048748
-0.00440909 -0.02784641 0.01516308
6.99674577 -7.06445916 -5.89045261
-0.00001452 0.00006612 -0.00015197
-0.00913070 -0.00831310 0.00083423
-1.21365440 -11.54390597 1.75995892
0.00012529 0.00014208 -0.00021018
0.00411664 -0.01036301 -0.00693445
-16.46560553 -1.80421002 5.03175958
0.00032229 0.00011285 0.00025165
-0.03082988 -0.02290840 0.00184162
-8.90580588 3.86771389 -21.68120383
-0.00031339 -0.00050649 -0.00044736
0.00642492 -0.02581608 -0.02757345
2.18456636 1.28986367 -1.35553584
-0.00005521 -0.00005835 0.00017953
-0.00065484 -0.01513950 0.07683291
12.33117414 8.70352254 3.82199640
0.00015750 -0.00023617 0.00001166
-0.04061476 -0.02712274 -0.01064397
-7.29181589 -4.36514966 2.20969539
0.00097269 0.00037856 0.00057370
-0.03583701 0.01173697 0.01245201
-9.70804877 -2.31105385 2.42674710
-0.00115346 -0.00185336 0.00089795
0.01205122 -0.01603057 -0.00534541
-16.78191968 6.07289319 6.92872989
0.00035272 -0.00037284 -0.00028707
0.02580395 0.03297013 0.00933433
-17.01950765 3.78983278 5.32046280
0.00035912 0.00006429 0.00004051
-0.01633286 0.00823608 0.01342551
-15.63060033 0.80337587 0.73692871
-0.00020569 -0.00063088 0.00016984
-0.00392395 0.03023645 -0.00156675
-17.24378822 -1.38557887 -0.52159946
-0.00049684 -0.00186757 -0.00012138
0.02752654 0.01605475 0.02347583
2.08451725 -21.25176553 14.95400492
-0.00028302 -0.00021070 0.00037132
-0.02160030 0.00838728 -0.01293972
4.05562898 -18.93436093 15.71755652
0.00036308 0.00034706 0.00022853
-0.01655760 0.00566858 -0.00531566
8.36076350 14.29784238 -1.11641769
0.00016710 0.00035035 -0.00084310
0.00303798 -0.01370653 0.00539941
7.90340484 16.94222630 0.14506360
-0.00069042 -0.00054672 0.00066648
-0.00915049 -0.01747510 -0.02436340
-8.64390703 9.00012590 12.40448234
0.00019447 0.00014118 0.00032732
-0.00037399 0.00337311 -0.01957591
-10.32774785 11.06279563 12.14200118
-0.00031720 0.00062849 -0.00036951
-0.01491324 0.02334439 -0.00138382
-9.53517669 0.19475669 -13.84542431
-0.00007768 -0.00031389 -0.00081327
-0.03615139 0.01207750 -0.00972192
-8.22898375 -2.05925343 -15.32816915
0.00011798 0.00017075 0.00119941
-0.00474073 0.01629627 0.00536617
-12.13593777 1.10405604 -6.65372402
-0.00024814 0.00043045 -0.00091704
0.01291654 -0.00022784 -0.01312354
-10.41252237 3.36508801 -6.18510924
-0.00021077 0.00072961 0.00112873
0.00700402 0.01949739 0.00685688
-1.84661570 -6.18139464 14.47219645
0.00035496 0.00081992 0.00005685
-0.01488220 -0.00900328 -0.00240600
-0.21238036 -5.80984057 16.91641463
-0.00006686 -0.00008239 0.00042316
-0.00012860 0.00579576 -0.02651518
-24.50041310 -0.35767057 -19.08866842
-0.00103344 -0.00041504 0.00045223
-0.00854362 -0.00211600 -0.03568339
-25.60067838 1.18469837 -21.49171585
-0.00024193 0.00031882 0.00022884
0.00496380 -0.01623129 0.00132300
9.70837613 8.44765458 6.54433097
-0.00112168 0.00099041 0.00061261
0.01453089 0.00321261 -0.01453374
10.04435245 7.65333105 9.26812407
-0.00001568 -0.00052166 -0.00013704
0.00343061 0.00913999 0.00322643
19.76975097 27.41802637 -4.07336950
0.00006094 0.00006397 -0.00024183
-0.00587303 -0.00858108 0.00398576
20.08233508 30.48829172 -4.25859566
-0.00041919 0.00044131 -0.00014605
0.01386492 -0.01692383 -0.00127927
6.53335700 -0.41542386 -6.85792752
-0.00006588 0.00037811 0.00018285
-0.03613264 0.03351674 0.00602240
6.74172698 -3.20246411 -7.20807127
0.00023629 -0.00065527 -0.00013616
0.01997482 0.01135460 -0.00003461
-8.72394859 -2.40582055 12.11467248
0.00062287 -0.00019385 0.00036160
0.01841361 0.02428462 -0.02600660
-10.86133731 -2.57729168 14.02142435
-0.00136234 -0.00018351 0.00013058
0.01408718 -0.02335654 -0.01677263
-1.31773172 -24.55325298 14.30147337
-0.00091813 0.00056664 0.00113699
0.00537670 0.02024551 -0.00528790
-3.20628024 -22.41875451 13.37413408
0.00032793 0.00016106 -0.00013925
0.01023666 -0.00006535 0.01005731
-12.54906148 -7.95332105 -7.27093453
0.00110969 0.00120948 0.00034784
0.02412155 -0.01287264 -0.02164590
-10.32143893 -7.19051586 -9.23748367
0.00046237 0.00113557 -0.00129134
-0.00234874 0.00882201 0.00469886
-16.00507359 -10.37740277 -15.11170432
-0.00031357 -0.00022898 -0.00086990
-0.00446131 0.03852411 -0.01505568
-14.30296182 -8.06989172 -16.07843725
-0.00016126 -0.00005075 -0.00024874
0.00170543 0.00191257 0.00276569
16.64832957 12.53620884 5.31813444
0.00039944 0.00029728 0.00014944
-0.00183980 -0.00333584 -0.01054343
17.28975109 13.97281560 2.98431025
0.00031719 -0.00026587 -0.00010846
0.00390957 0.01301569 -0.01153608
18.92495118 -3.79802154 -15.23294989
-0.00079965 -0.00038884 0.00022272
-0.02402559 -0.00354700 0.00005997
21.52975219 -3.35964628 -15.34741310
-0.00052880 -0.00052336 -0.00005534
0.03407211 0.02326557 -0.00686227
-2.03879645 7.27212674 -13.76179961
0.00107228 0.00007062 -0.00032333
-0.00429560 -0.00200901 0.00756409
0.13978330 6.63900499 -15.40262130
-0.00061862 0.00040438 -0.00028046
0.00159223 0.01045015 -0.00439937
1.01762606 0.33272420 -15.27363833
0.00012298 0.00038119 -0.00058695
-0.00355962 -0.00028929 0.00104317
2.78124051 -1.21387493 -17.06590422
-0.00045075 0.00055275 -0.00086561
-0.03286767 0.00300511 0.01303645
11.93801815 22.92540732 -22.83909059
0.00135740 0.00100521 0.00043243
-0.00938435 0.01106750 0.00545075
9.62872638 20.85522572 -23.23207695
0.00014446 -0.00006650 0.00006677
0.02903227 0.01722304 0.00689963
-10.19655996 16.30758931 -16.91097243
0.00068509 0.00021744 -0.00084509
-0.01473627 -0.01691513 0.01342394
-10.52082514 14.66090767 -14.31305607
-0.00094820 0.00027053 0.00064498
0.00826010 0.00081821 0.00437369
2.49287337 18.24845030 11.08296956
0.00073165 0.00081649 0.00000284
0.04309657 -0.02571568 0.00918715
4.72132839 17.79416622 9.33428479
-0.00008240 0.00022050 0.00019453
0.00468242 -0.00481872 0.01050036
-3.85530294 -10.41167956 -3.54826820
0.00108544 -0.00000530 0.00090777
0.04088827 -0.01466322 0.02188340
-1.28339023 -11.03846439 -1.75945692
-0.00001124 -0.00014315 0.00050985
-0.01896357 0.00253374 -0.00053015
0.41940762 -6.63628594 4.79987548
-0.00022180 0.00004682 0.00016532
-0.01098357 0.00033577 0.00362749
2.92598922 -7.76251970 4.24905090
-0.00085321 -0.00065523 -0.00000875
0.03286455 -0.00601190 0.01044899
9.23370285 2.02492487 9.80332908
-0.00165769 0.00021166 -0.00039924
-0.00277366 -0.00136631 -0.00602757
9.42722702 3.44237713 7.26933937
0.00022863 -0.00030842 0.00007964
0.00185336 -0.01471268 0.01127586
-7.59767457 -9.06408958 -4.54596129
-0.00083167 0.00024736 -0.00021989
-0.01874086 0.00298259 -0.01231349
-8.44983360 -10.24327318 -1.86312008
0.00036269 0.00030102 -0.00032421
0.01776583 0.01101556 -0.02569240
4.97314027 -13.82780650 -12.06095658
-0.00020060 0.00034029 0.00020058
0.02118799 -0.01521045 0.01419926
2.27921630 -13.38883781 -12.99868384
-0.00022650 -0.00003032 -0.00107855
-0.00196507 0.00631322 -0.00580833
1.33837072 -6.14198481 -0.01645444
-0.00044240 0.00092745 -0.00021279
0.00288809 0.00857485 -0.00927440
-0.16206406 -3.77330516 -0.09189990
0.00020140 0.00006559 0.00021861
-0.00277121 0.00535120 -0.00544131
17.48619641 3.70380238 25.93589678
0.00006282 -0.00034767 -0.00022798
0.00898242 -0.00428905 -0.01770914
16.08837611 2.91248345 28.22841533
0.00108657 0.00135671 0.00018685
-0.00902452 -0.01612145 0.01083094
-11.16004069 7.27191510 -4.00396631
0.00045115 -0.00025861 -0.00045002
0.02856432 0.00248197 -0.01060818
-8.41865334 7.26500506 -5.59883599
-0.00075902 -0.00070189 -0.00016920
-0.00538362 0.01683754 0.00548322
-6.38057010 16.21422511 -9.34609563
0.00004947 -0.00009795 0.00026341
-0.00528707 0.00459455 0.00475936
-4.77348589 14.17916751 -10.62846156
0.00010679 0.00000540 -0.00019378
0.00192318 -0.00385868 -0.00529810
3.01048724 10.48293221 -6.32275298
-0.00002336 -0.00036430 0.00057872
-0.00282962 -0.02475382 0.01256742
1.61136154 13.04091298 -6.41635228
-0.00037189 0.00058187 -0.00064997
-0.02620504 0.01247897 0.00457555
-2.77545437 10.89231349 -14.34901044
0.00125313 0.00002045 -0.00013472
-0.03081249 0.00403092 0.00982699
-5.76805140 10.52573622 -13.58065917
0.00011995 -0.00004860 0.00006788
0.00860189 -0.00531272 0.00243098
3.80741854 7.93290330 19.11799312
0.00011505 0.00020403 -0.00020260
0.00622045 0.00457085 0.01363936
1.91910197 6.88590755 17.26392420
-0.00008492 0.00102774 -0.00021113
-0.00956611 -0.00480250 0.00255037
-13.27855933 8.70246256 -8.49162630
-0.00181426 -0.00019606 0.00027670
0.01016167 -0.00133627 0.00186842
-16.00830899 8.09128677 -7.59993377
0.00016696 -0.00020487 0.00043191
0.00896093 0.00762824 -0.00426429
5.07777799 10.16405026 0.69420457
0.00080098 0.00061182 -0.00096542
0.04583122 0.02059298 -0.00781826
2.74125367 9.37001704 1.64415821
-0.00114445 0.00010109 0.00064789
-0.04817133 -0.00350181 0.03132031
14.12562621 -24.18968848 -25.53293229
0.00074729 0.00039457 0.00030567
0.00040873 0.00308959 -0.00251558
15.01609730 -23.37233353 -28.11907563
0.00002147 -0.00075013 -0.00013442
-0.01466628 0.01469322 -0.04319304
4.93637861 3.31421162 -1.09926812
0.00012370 0.00003800 0.00003045
-0.03294026 -0.01084907 -0.01870821
5.01865491 5.93229263 0.25516288
-0.00052858 -0.00052178 -0.00023088
0.00013271 -0.00349883 -0.00320741
17.03002665 -3.82774237 -0.54769829
-0.00076304 -0.00055181 0.00021588
0.00828573 -0.00256622 0.01067416
16.75821344 -6.67306601 -0.86424177
0.00048042 0.00079472 0.00019632
-0.00689352 0.01011519 0.02289554
-5.61986591 3.45816715 -1.61752486
-0.00137691 -0.00012491 0.00122380
0.00662468 -0.01773487 -0.02061417
-5.01094106 0.79587467 -3.16832190
-0.00015391 -0.00017927 -0.00041197
0.00266036 0.03811574 0.00286767
2.54321743 2.87169860 -11.07337406
0.00000258 0.00013193 -0.00016046
-0.02759318 -0.00938025 -0.02942899
0.03555268 1.47230176 -10.52531051
-0.00121020 0.00040982 0.00068103
0.01326485 0.00769185 -0.03407380
16.87298612 7.86660590 -8.48976639
-0.00081048 -0.00106299 0.00094024
-0.01443701 0.00627691 0.01081429
16.67349839 10.58680382 -7.50382864
-0.00101278 0.00034174 0.00085242
-0.00169245 0.01527752 0.00179834
-6.27691239 0.53098652 10.89417354
-0.00070485 0.00001833 0.00086321
-0.00083759 -0.01055865 -0.03061236
-7.88312463 1.65381729 13.03856949
0.00038773 0.00045527 -0.00057915
0.03345360 -0.01471523 0.00385504
-2.25601571 -15.86253721 14.04423936
0.00073676 -0.00132895 -0.00024957
-0.02153909 -0.02461999 -0.01874627
-4.15943643 -18.07330851 12.55437945
-0.00077662 0.00086370 -0.00007421
0.02578332 0.04912278 0.00812929
7.17000795 -6.50484042 -4.08884916
0.00012213 0.00038191 -0.00005143
0.00192994 0.00191194 -0.01258785
5.63332840 -8.38060774 -5.77385590
-0.00006806 0.00032481 -0.00129311
0.01295175 0.01464089 -0.00694586
-2.86631698 -11.74741080 2.49508250
0.00043203 0.00032985 -0.00041604
-0.00620668 0.00040229 -0.00071776
-0.35913197 -10.34758966 2.86968516
0.00033324 -0.00043843 -0.00027404
0.00120236 0.00425980 -0.00277409
-15.23305625 -0.91672148 5.93891540
0.00091741 -0.00029218 -0.00074847
0.02226755 0.01805210 0.01590879
-16.17827217 -1.62313243 3.18319170
-0.00002275 -0.00034193 -0.00075093
0.00727226 -0.00060651 0.00492719
-9.55995799 4.92259929 -23.00539008
-0.00020632 -0.00015033 -0.00036042
-0.00088916 0.00867562 -0.00612460
-8.99543769 4.82722018 -20.19494738
0.00001349 -0.00021143 0.00009598
-0.00197341 0.02178375 0.02909634
2.04986762 1.47652763 -3.07288289
0.00010276 0.00022702 -0.00033265
-0.02108484 -0.00180500 -0.05522100
0.67929744 0.78773866 -0.36621960
0.00083103 -0.00053636 -0.00026806
0.01343076 0.00733426 -0.02789369
13.64412074 9.80935218 4.19560943
0.00017976 -0.00032133 -0.00085970
0.02579284 0.02683719 -0.00025160
11.26393013 9.50074937 2.51867508
0.00074132 -0.00031426 0.00070412
0.00983779 -0.00151818 0.00331748
5.48557211 -8.98140750 -10.67856367
-0.00005687 -0.00026414 0.00012503
-0.00011092 -0.00163404 0.00341295
-13.01878694 10.44518054 21.11808508
-0.00006003 -0.00003976 0.00014828
0.01160395 -0.00075236 -0.00054365
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06900583
0.31979621
426.11241371
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0714389535
ExchangeOperator: pair fraction: ispin=0: 0.1878853434
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3783671966 (a.u.)
total exchange computation time: 3.5007190704 s
-154.1699016134
-931.38990664
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0714389535
ExchangeOperator: pair fraction: ispin=0: 0.1878853434
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3778520566 (a.u.)
total exchange computation time: 3.5031101704 s
-154.1751554732
Anderson extrapolation: theta=1.3457154724 (1.3457154724)
-931.39015971
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0714389535
ExchangeOperator: pair fraction: ispin=0: 0.1878853434
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3770566242 (a.u.)
total exchange computation time: 3.5010981560 s
-154.1829808159
Anderson extrapolation: theta=0.0511190974 (0.0511190974)
-931.39030991
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0714389535
ExchangeOperator: pair fraction: ispin=0: 0.1878853434
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3769354197 (a.u.)
total exchange computation time: 3.5014228821 s
-154.1840173765
Anderson extrapolation: theta=1.9494227151 (1.9494227151)
-931.39031552
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0714389535
ExchangeOperator: pair fraction: ispin=0: 0.1878853434
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3766764198 (a.u.)
total exchange computation time: 3.5006530285 s
-154.1861571708
Anderson extrapolation: theta=0.2221984050 (0.2221984050)
-931.39032152
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0714389535
ExchangeOperator: pair fraction: ispin=0: 0.1878853434
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3766139454 (a.u.)
total exchange computation time: 3.4992489815 s
-154.1866155602
Anderson extrapolation: theta=1.8736652027 (1.8736652027)
-931.39032270
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0714389535
ExchangeOperator: pair fraction: ispin=0: 0.1878853434
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3765187294 (a.u.)
total exchange computation time: 3.5019810200 s
-154.1872577916
Anderson extrapolation: theta=0.2756011659 (0.2756011659)
-931.39032417
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0714389535
ExchangeOperator: pair fraction: ispin=0: 0.1878853434
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3765145837 (a.u.)
total exchange computation time: 3.5021669865 s
-154.1872279737
Anderson extrapolation: theta=1.2981300871 (1.2981300871)
-931.39032453
239.276609 32.053050 245.772515
-140.969267 489.367803 -803.279662
98.307342 521.420853 -557.507146
769.648139
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0714389535
ExchangeOperator: pair fraction: ispin=0: 0.1878853434
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3765257457 (a.u.)
total exchange computation time: 3.5027360916 s
678.98089972
-1083.75585391
89.68292082
-389.09619081
-174.82557489
78.31229395
551.60419304
0.00000000
-931.39032482
-8.82562752 -3.72171289 3.26540587
0.00010023 -0.00022794 0.00007984
0.01851046 -0.00683415 0.01155260
-17.90654243 4.73891916 6.65497540
-0.00001674 -0.00040511 -0.00014077
-0.00905393 -0.03636140 -0.02602597
-15.70009530 -0.97553560 0.58149497
0.00016681 0.00030701 0.00014934
-0.02854127 -0.05092521 -0.04845260
3.56349507 -20.68501155 15.76763360
-0.00041595 0.00000247 -0.00030735
0.03753971 -0.00404805 0.02288470
7.34976273 15.82271490 -1.26642565
0.00021327 0.00015840 -0.00024601
0.00607816 0.03075883 0.03651919
-9.73853645 9.72278256 11.04978924
-0.00002874 -0.00016514 0.00017443
0.01170851 -0.02558294 0.00819825
-8.02578498 -0.70659418 -14.05927714
-0.00035091 0.00020568 -0.00032607
0.04597863 -0.02331199 -0.00185136
-10.78936402 2.10879177 -7.44014975
-0.00018563 0.00012148 0.00052924
-0.00765941 -0.00551302 0.00328637
-0.17728153 -5.73363919 15.02520883
-0.00010270 -0.00006546 0.00018598
0.01126338 0.00679260 0.03675514
-25.23029172 -0.52880720 -20.85775910
-0.00044917 -0.00017817 0.00013642
0.01341833 0.01925025 0.03121800
8.90010001 7.50335644 7.84873551
-0.00000318 0.00008079 0.00001386
-0.01537625 -0.01822160 0.00728871
20.76959804 28.75470238 -4.80825423
-0.00003080 0.00009764 -0.00012448
-0.00084560 0.02084514 -0.01187002
7.76710012 -1.61933329 -7.16875291
0.00002191 0.00009812 -0.00007818
0.01334698 -0.05011408 -0.00554503
-9.58011312 -3.60739956 13.06432613
0.00041556 0.00015823 0.00042413
-0.03820385 -0.00426736 0.03799640
-1.42862584 -22.72243688 13.85007676
0.00020937 -0.00007283 0.00004667
-0.00592967 -0.01804493 0.00385588
-11.07325546 -8.63794623 -8.42163261
-0.00011370 -0.00042796 0.00037814
-0.02361138 0.02268644 0.01773139
-16.03498547 -8.51456896 -15.59656515
0.00029633 -0.00003107 0.00009839
-0.00808740 -0.04178817 0.01187895
16.36033180 12.52043444 3.46789142
0.00039425 0.00027386 0.00006882
-0.00273274 -0.01159978 0.02724888
20.42385452 -4.63250946 -14.72740267
-0.00024187 0.00015817 0.00001385
-0.01544108 -0.02674353 0.00895443
-0.77044162 8.11784534 -14.77259748
0.00038955 0.00013784 -0.00021350
0.00568125 -0.01266623 0.00159200
0.85357067 -0.92437725 -16.62204975
-0.00017469 0.00010137 -0.00033320
0.03532003 0.00677001 -0.00807025
11.49578207 21.16518930 -23.04173006
0.00019508 -0.00034505 -0.00017421
-0.01015139 -0.01270556 -0.00920217
-11.29262011 15.10689498 -15.88299418
0.00004668 0.00021367 -0.00043661
0.01203028 0.01781836 -0.02037122
4.25784117 17.42551794 11.08630336
0.00027014 0.00021549 -0.00031327
-0.04849682 0.03139741 -0.01989111
-2.01668461 -11.05437091 -3.48234912
-0.00028822 -0.00016923 -0.00031813
-0.02085385 0.01384703 -0.00581524
1.23142906 -7.85077501 3.69723991
-0.00007469 -0.00059763 -0.00005269
-0.02227643 0.01556565 -0.00345411
9.54953765 1.72525838 8.02297023
0.00013882 0.00026811 0.00020847
-0.00020028 0.01639973 -0.00215916
-7.01896094 -9.53875943 -2.91983513
0.00026474 0.00017223 -0.00008422
-0.00468169 -0.00517753 0.03058847
3.95193259 -12.63104888 -12.88870725
0.00002810 0.00025790 -0.00011218
-0.02419701 0.01409918 -0.01138931
1.08133320 -4.65439931 -1.09966985
0.00019057 0.00000600 0.00021292
-0.00352442 -0.00760735 0.00903353
16.73434418 4.36738596 27.40061652
0.00029402 0.00006718 -0.00030724
0.00237663 0.02656512 0.00528701
-9.60841945 6.33723341 -4.54443183
0.00011243 -0.00031540 0.00008503
-0.02921025 -0.02077426 0.01681765
-5.17785204 14.89902970 -9.00378039
0.00020883 0.00006858 -0.00034256
0.01061503 -0.00362498 0.00317781
3.10768905 12.18767812 -6.83453039
-0.00009544 -0.00000167 0.00003841
0.02324011 0.00637729 -0.01684144
-4.38164085 11.71823709 -13.75599670
0.00024895 0.00021378 -0.00002923
0.01883653 0.00023707 -0.00596387
3.72941268 7.19930623 17.46103559
0.00033954 -0.00004796 -0.00003546
-0.00199227 -0.00231560 -0.02319661
-15.01237911 8.85294212 -8.97595137
-0.00028561 -0.00002543 -0.00036719
-0.03059242 -0.00932952 0.00991107
3.74798210 9.10205992 0.25092735
-0.00004172 0.00028214 0.00034034
-0.00141408 -0.01596246 -0.01796053
15.62748595 -23.98037416 -26.60531477
0.00025980 -0.00003428 -0.00019742
0.01497707 -0.01948090 0.05427471
5.88105874 4.32838859 -0.02363973
-0.00029737 -0.00016495 0.00021995
0.04287759 0.01524774 0.03060989
16.94502282 -5.35010799 0.49031688
0.00017312 0.00012609 -0.00010315
0.00765423 -0.01110398 -0.03728330
-4.44327597 2.62959307 -2.83673252
-0.00023940 -0.00035034 0.00013813
-0.01842571 -0.00935432 0.02396145
0.98271654 2.29395179 -11.99663533
-0.00001718 0.00018457 0.00024641
0.01033558 -0.00533187 0.05444100
15.67989856 9.08031676 -7.52115102
-0.00020942 -0.00014060 0.00004063
0.01829482 -0.02912859 -0.01047334
-6.10788227 0.96732974 12.62514185
-0.00033900 -0.00010791 0.00034558
-0.03459304 0.03090431 0.02591927
-3.38867597 -16.24790737 12.51130520
-0.00021357 0.00016008 0.00049482
-0.00471111 -0.02730705 0.01338261
6.99649281 -7.06349940 -5.89272900
-0.00001881 0.00006242 -0.00015149
-0.00757822 -0.00607133 0.00103694
-1.21175916 -11.54181472 1.75677945
0.00012777 0.00013641 -0.00021447
0.00553063 -0.01170494 -0.00973476
-16.46089006 -1.80260565 5.03554136
0.00030619 0.00010090 0.00025111
-0.03180034 -0.02357430 -0.00392523
-8.91048188 3.86001700 -21.68802053
-0.00031020 -0.00051875 -0.00046043
0.00594651 -0.02187412 -0.02325264
2.18373569 1.28893007 -1.35254646
-0.00005448 -0.00006561 0.00021647
0.00350077 -0.01310565 0.06679649
12.33338003 8.69987541 3.82213022
0.00013731 -0.00025075 0.00000705
-0.03789882 -0.02959063 -0.00728442
-7.27832369 -4.35911157 2.21868248
0.00082336 0.00042683 0.00062404
-0.03726333 0.01189263 0.01219093
-9.72498138 -2.33934550 2.44005252
-0.00110927 -0.00190751 0.00086878
0.00957936 -0.01047732 -0.00893153
-16.77583820 6.06831084 6.92470985
0.00045383 -0.00024201 -0.00024884
0.02369235 0.03107162 0.00937870
-17.01462127 3.79104948 5.32148181
0.00029306 0.00009500 0.00009263
-0.01600748 0.00679688 0.01208990
-15.63380598 0.79483926 0.73942836
-0.00022305 -0.00049167 0.00016358
-0.00457017 0.03790638 -0.00150176
-17.25039737 -1.41310048 -0.52270077
-0.00037559 -0.00179587 -0.00001969
0.03182878 0.01904153 0.02630206
2.07960998 -21.25466899 14.95917820
-0.00037621 -0.00017706 0.00031526
-0.02401470 0.00807851 -0.01450246
4.06056788 -18.92898133 15.72082161
0.00029191 0.00036227 0.00020658
-0.01828511 0.00177567 -0.00542835
8.36336314 14.30267762 -1.12889878
0.00018125 0.00029180 -0.00082028
0.00388873 -0.01495601 0.00577374
7.89276815 16.93349002 0.15431425
-0.00072675 -0.00061764 0.00056685
-0.00863257 -0.01724354 -0.02440655
-8.64100141 9.00234702 12.40879225
0.00019146 0.00015644 0.00024725
-0.00110193 0.00409253 -0.01961809
-10.33296279 11.07293832 12.13641611
-0.00037565 0.00071761 -0.00037775
-0.01369951 0.02027887 -0.00264809
-9.53744972 0.19041850 -13.85792133
-0.00023312 -0.00025972 -0.00085128
-0.03993366 0.01443533 -0.00887964
-8.22735926 -2.05619278 -15.31001353
0.00009711 0.00022701 0.00121154
-0.00547695 0.01124353 0.00056900
-12.13926405 1.11050579 -6.66788172
-0.00020232 0.00042490 -0.00096499
0.00951151 -0.00249057 -0.01035181
-10.41546927 3.37662956 -6.16796813
-0.00018553 0.00079934 0.00114810
0.00534796 0.01463873 0.00262083
-1.84174727 -6.16937174 14.47297543
0.00028563 0.00078048 0.00004448
-0.01905820 -0.01030168 -0.00364800
-0.21338718 -5.81089889 16.92194946
-0.00006772 -0.00005879 0.00031215
-0.00029223 0.00575941 -0.02782154
-24.51617655 -0.36396100 -19.08297846
-0.00106775 -0.00042345 0.00030610
-0.00824993 -0.00200061 -0.03584830
-25.60415518 1.18898325 -21.48824274
-0.00022062 0.00024791 0.00023522
0.00546816 -0.01847998 0.00179956
9.69199619 8.46260910 6.55307481
-0.00105930 0.00100710 0.00054922
0.01600353 0.00495763 -0.01649837
10.04422235 7.64578619 9.26616732
0.00000012 -0.00048367 -0.00012229
0.00430452 0.00945649 0.00399634
19.77048507 27.41872292 -4.07687475
0.00003651 0.00002842 -0.00022487
-0.00608641 -0.00881904 0.00431569
20.07647209 30.49439284 -4.26082559
-0.00036138 0.00036927 -0.00015235
0.01443476 -0.01834096 -0.00180467
6.53126160 -0.40872509 -6.85500022
-0.00020875 0.00050834 0.00020616
-0.03380475 0.03022889 0.00538628
6.74588340 -3.21194525 -7.21011478
0.00031975 -0.00060275 -0.00013590
0.02088117 0.01435328 0.00016357
-8.71404126 -2.40798407 12.11929951
0.00069705 -0.00009312 0.00025604
0.01789655 0.02502083 -0.02566312
-10.88134068 -2.58076005 14.02286909
-0.00129719 -0.00028167 0.00005699
0.01780339 -0.02469334 -0.01925177
-1.33133889 -24.54413305 14.31836616
-0.00089437 0.00064411 0.00111589
0.00625502 0.01767848 -0.00503833
-3.20104754 -22.41634061 13.37235354
0.00036912 0.00016151 -0.00009814
0.00992405 0.00028684 0.01006379
-12.53167695 -7.93557337 -7.26638019
0.00120447 0.00115463 0.00026061
0.02227524 -0.01397331 -0.02105286
-10.31457541 -7.17321205 -9.25670978
0.00043974 0.00114485 -0.00125715
-0.00872651 -0.00427553 0.01203871
-16.00991388 -10.37965691 -15.12521413
-0.00033087 -0.00007241 -0.00092999
-0.00400534 0.03811618 -0.01436213
-14.30532852 -8.07059443 -16.08208361
-0.00014980 -0.00004222 -0.00023864
0.00390439 0.00226302 0.00217844
16.65426483 12.54056583 5.32005291
0.00039185 0.00028362 0.00010577
-0.00187695 -0.00335229 -0.01082948
17.29462869 13.96922644 2.98232980
0.00033663 -0.00020722 -0.00015726
0.00560821 0.01569379 -0.01235172
18.91222020 -3.80396290 -15.22960722
-0.00089366 -0.00040445 0.00022379
-0.02199040 -0.00409393 0.00046231
21.52286425 -3.36678373 -15.34845341
-0.00038526 -0.00042148 -0.00008651
0.03619152 0.02660515 -0.00839990
-2.02284393 7.27312449 -13.76641772
0.00104813 0.00006034 -0.00028727
-0.00752555 -0.00302560 0.01008618
0.13055281 6.64539097 -15.40696308
-0.00060560 0.00043949 -0.00030326
0.00478068 0.00673530 -0.00675864
1.01936174 0.33843321 -15.28241065
0.00010816 0.00037935 -0.00058285
-0.00369927 -0.00061434 0.00096298
2.77347211 -1.20549157 -17.07848896
-0.00058398 0.00056441 -0.00081176
-0.03234817 0.00270052 0.01332732
11.95809157 22.94082454 -22.83243714
0.00131214 0.00102688 0.00045249
-0.01277031 -0.00045874 0.00437177
9.63178290 20.85475598 -23.23086403
0.00026252 0.00000442 0.00009446
0.02875946 0.01749530 0.00665471
-10.18673511 16.31033256 -16.92323750
0.00062287 0.00014590 -0.00078691
-0.01572192 -0.01810236 0.01505845
-10.53479505 14.66499064 -14.30324736
-0.00091739 0.00027671 0.00065463
0.00682096 0.00221050 0.00034948
2.50516871 18.25990963 11.08329372
0.00090503 0.00071197 0.00004070
0.04177591 -0.02544921 0.00934421
4.72023579 17.79732605 9.33752456
-0.00006043 0.00020222 0.00022923
0.00607687 -0.00412716 0.00648193
-3.83776835 -10.41220833 -3.53398113
0.00123959 -0.00006127 0.00099347
0.03456871 -0.01273643 0.02007128
-1.28413987 -11.04053406 -1.75182536
-0.00009122 -0.00013363 0.00049750
-0.02018736 0.00213012 -0.00551506
0.41574407 -6.63557336 4.80246640
-0.00026253 0.00004145 0.00017412
-0.00895248 -0.00296562 0.00067909
2.91419818 -7.77253235 4.24923979
-0.00070695 -0.00067931 0.00003751
0.03872939 -0.00577853 0.01219760
9.20875257 2.02805791 9.79715576
-0.00166911 0.00020637 -0.00041969
-0.00281911 -0.00122548 -0.00398027
9.43071321 3.43729999 7.27087957
0.00023584 -0.00036283 0.00012283
0.00167976 -0.01192119 0.00986329
-7.61072388 -9.06028776 -4.54963696
-0.00090382 0.00025736 -0.00026206
-0.01657877 0.00191323 -0.00833001
-8.44384889 -10.23842038 -1.86877058
0.00043324 0.00034469 -0.00042611
0.01676889 0.01036253 -0.02418620
4.97078059 -13.82316822 -12.05751285
-0.00011457 0.00027799 0.00025843
0.02092284 -0.01528545 0.01412118
2.27575860 -13.38909908 -13.01504011
-0.00022870 -0.00000227 -0.00110137
0.00088670 0.00741597 -0.00536072
1.33182317 -6.12781025 -0.01993053
-0.00042721 0.00094887 -0.00024235
0.00454808 0.00190923 -0.00519568
-0.15912792 -3.77215733 -0.08878750
0.00019002 0.00008837 0.00019546
-0.00280136 0.00580003 -0.00588969
17.48741399 3.69845583 25.93193447
0.00009911 -0.00036519 -0.00029952
0.00878170 -0.00428480 -0.01731076
16.10439809 2.93234005 28.23155005
0.00104287 0.00127531 0.00024040
-0.01236700 -0.02372234 0.01537812
-11.15239810 7.26811197 -4.01104170
0.00056281 -0.00024649 -0.00049131
0.02609378 0.00345355 -0.00960507
-8.43020367 7.25499268 -5.60120590
-0.00077443 -0.00062886 -0.00015216
-0.00215682 0.01891062 0.00285814
-6.37999002 16.21289666 -9.34199870
0.00002686 -0.00007832 0.00028185
-0.00578447 0.00501395 0.00426901
-4.77182513 14.17913020 -10.63153059
0.00011460 -0.00001065 -0.00021715
0.00189919 -0.00399771 -0.00614385
3.01005014 10.47670917 -6.31368707
-0.00003495 -0.00045554 0.00062741
-0.00284490 -0.01990704 0.01126519
1.60498024 13.05002342 -6.42596160
-0.00047283 0.00062866 -0.00063304
-0.02320561 0.01042642 0.00371300
-2.75760164 10.89274378 -14.35073008
0.00111785 0.00004088 -0.00009147
-0.03540685 0.00596974 0.01134424
-5.76598850 10.52484443 -13.57956645
0.00015825 -0.00006803 0.00007738
0.01014646 -0.00420090 0.00221582
3.80933497 7.93610380 19.11537204
0.00014110 0.00022303 -0.00014549
0.00653123 0.00473239 0.01431946
1.91753497 6.90117645 17.26083536
-0.00012065 0.00100763 -0.00020067
-0.00792389 -0.00504200 0.00257250
-13.30546186 8.69948070 -8.48741848
-0.00174938 -0.00020211 0.00028840
0.02159832 -0.00162504 0.00385570
-16.00553002 8.08844741 -7.59358585
0.00020336 -0.00017096 0.00040920
0.00885816 0.00897494 -0.00685050
5.09119706 10.17385860 0.67948376
0.00097665 0.00068889 -0.00099735
0.04015975 0.01713124 -0.00781137
2.72261084 9.37142606 1.65483626
-0.00132565 0.00008615 0.00076012
-0.04052769 -0.00381061 0.02362100
14.13684816 -24.18367526 -25.52842427
0.00074653 0.00040684 0.00029614
-0.00078360 0.00291457 -0.00215317
15.01596986 -23.38313531 -28.12241546
-0.00004023 -0.00068961 -0.00031327
-0.01553526 0.01493221 -0.04435593
4.93722470 3.31444915 -1.09938466
-0.00001180 -0.00000887 -0.00004801
-0.03338638 -0.01209371 -0.01969818
5.01073025 5.92435869 0.25160143
-0.00052929 -0.00053219 -0.00024280
-0.00048070 -0.00159542 -0.00262940
17.01883490 -3.83609809 -0.54413298
-0.00072827 -0.00055144 0.00025347
0.00873478 0.00274543 0.00772727
16.76520848 -6.66083519 -0.86059534
0.00045104 0.00082863 0.00028449
-0.00748520 0.00648211 0.02026219
-5.64031658 3.45575007 -1.59979960
-0.00133888 -0.00020484 0.00112815
0.01199386 -0.02139100 -0.02620459
-5.01316825 0.79435366 -3.17441353
-0.00014369 -0.00002532 -0.00039987
0.00234336 0.03724004 0.00305411
2.54241059 2.87339018 -11.07668273
-0.00010845 0.00009387 -0.00027793
-0.02675861 -0.00925284 -0.02807350
0.01780623 1.47868482 -10.51613911
-0.00114937 0.00044444 0.00053637
0.01650803 0.00925338 -0.03674105
16.86038649 7.85085333 -8.47533147
-0.00086530 -0.00103424 0.00098313
-0.01239436 0.00779735 0.01018257
16.65825480 10.59239800 -7.49098723
-0.00101814 0.00040191 0.00085830
-0.00093024 0.01417823 0.00108049
-6.28751087 0.53093792 10.90618366
-0.00070760 -0.00002715 0.00073026
-0.00050723 -0.01170600 -0.03446947
-7.87628351 1.66019538 13.03000034
0.00051827 0.00039716 -0.00055976
0.03044429 -0.01373075 0.00563671
-2.24562432 -15.88322583 14.03992132
0.00064917 -0.00142644 -0.00032319
-0.02133832 -0.02310456 -0.01729045
-4.17029559 -18.05884772 12.55351536
-0.00067148 0.00105965 -0.00004082
0.02568303 0.04679702 0.00821639
7.17189907 -6.49905315 -4.09000630
0.00012804 0.00038787 -0.00010518
0.00096360 0.00100625 -0.01372426
5.63270440 -8.37528700 -5.79346541
-0.00001708 0.00038283 -0.00131879
0.01200073 0.01376194 -0.00562394
-2.86002675 -11.74245065 2.48881983
0.00040109 0.00033068 -0.00041647
-0.00893966 0.00000344 0.00050899
-0.35409646 -10.35403552 2.86548956
0.00034009 -0.00041763 -0.00028269
0.00214777 0.00592192 -0.00146033
-15.21861274 -0.92055107 5.92817592
0.00101140 -0.00021647 -0.00068157
0.02374189 0.01901065 0.01683695
-16.17839058 -1.62828001 3.17207869
0.00000603 -0.00034479 -0.00072128
0.00681733 -0.00079402 0.00958703
-9.56307999 4.92061022 -23.01098400
-0.00020944 -0.00011580 -0.00038406
-0.00063894 0.00822685 -0.00544997
-8.99529581 4.82471622 -20.19261614
0.00000599 -0.00012923 0.00020447
-0.00169578 0.01845344 0.02401053
2.05076296 1.47987755 -3.07956475
0.00001804 0.00021810 -0.00054422
-0.02038932 -0.00256122 -0.04834580
0.69217444 0.77991797 -0.37109520
0.00087563 -0.00050909 -0.00037579
0.00840347 0.00601792 -0.02484453
13.64760754 9.80535458 4.18270623
0.00028806 -0.00021068 -0.00085939
0.02721941 0.02732788 0.00040328
11.27535133 9.49598891 2.52933849
0.00077376 -0.00031651 0.00070937
0.00604398 0.00041613 -0.00074748
5.48471882 -8.98537396 -10.67667910
-0.00005690 -0.00026470 0.00012622
-0.00006971 -0.00147910 0.00323130
-13.01966712 10.44458287 21.12030828
-0.00005735 -0.00003992 0.00014813
0.01146836 -0.00068567 -0.00072751
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06900627
0.32131855
428.14085618
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0714389535
ExchangeOperator: pair fraction: ispin=0: 0.1878853434
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3823394346 (a.u.)
total exchange computation time: 3.5024890900 s
-154.1807846096
-931.39192420
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0714389535
ExchangeOperator: pair fraction: ispin=0: 0.1878853434
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3817991514 (a.u.)
total exchange computation time: 3.5023829937 s
-154.1862354745
Anderson extrapolation: theta=1.3436080718 (1.3436080718)
-931.39217358
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0714389535
ExchangeOperator: pair fraction: ispin=0: 0.1878853434
ExchangeOperator: bisection time: 1.691 s
total exchange = -52.3809733274 (a.u.)
total exchange computation time: 3.4996860027 s
-154.1943001908
Anderson extrapolation: theta=0.0497940407 (0.0497940407)
-931.39232091
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0714389535
ExchangeOperator: pair fraction: ispin=0: 0.1878853434
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3808534997 (a.u.)
total exchange computation time: 3.5029869080 s
-154.1953283347
Anderson extrapolation: theta=1.9126992896 (1.9126992896)
-931.39232616
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0714389535
ExchangeOperator: pair fraction: ispin=0: 0.1878853434
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3806015694 (a.u.)
total exchange computation time: 3.5012030602 s
-154.1974215971
Anderson extrapolation: theta=0.2162764154 (0.2162764154)
-931.39233157
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0714389535
ExchangeOperator: pair fraction: ispin=0: 0.1878853434
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3805414503 (a.u.)
total exchange computation time: 3.4987850189 s
-154.1978687335
Anderson extrapolation: theta=1.8948648570 (1.8948648570)
-931.39233260
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0714389535
ExchangeOperator: pair fraction: ispin=0: 0.1878853434
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3804480637 (a.u.)
total exchange computation time: 3.5000331402 s
-154.1985119954
Anderson extrapolation: theta=0.2791002477 (0.2791002477)
-931.39233391
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0714389535
ExchangeOperator: pair fraction: ispin=0: 0.1878853434
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3804429334 (a.u.)
total exchange computation time: 3.5003709793 s
-154.1984944962
Anderson extrapolation: theta=1.3096119527 (1.3096119527)
-931.39233423
239.276341 32.102800 245.804770
-140.983737 489.402338 -803.304793
98.292603 521.505138 -557.500023
769.698201
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0714389535
ExchangeOperator: pair fraction: ispin=0: 0.1878853434
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3804519542 (a.u.)
total exchange computation time: 3.5020620823 s
679.04500866
-1083.87713135
89.67124493
-389.01523271
-174.83577206
78.37790174
551.60419304
0.00000000
-931.39233449
-8.82405269 -3.72515833 3.26664796
0.00011073 -0.00023297 0.00008680
0.02230817 -0.01271859 0.01551604
-17.90682844 4.73270223 6.65276344
-0.00002073 -0.00042256 -0.00015360
-0.00647788 -0.03149335 -0.02385442
-15.69770329 -0.97112681 0.58354810
0.00015136 0.00027840 0.00012387
-0.03151795 -0.06035336 -0.05058432
3.55740063 -20.68499011 15.76311156
-0.00039580 0.00000139 -0.00029525
0.04079499 -0.00015163 0.02417104
7.35298520 15.82520953 -1.26997494
0.00021609 0.00017423 -0.00022745
0.00487430 0.03078644 0.03566932
-9.73892239 9.72020676 11.05243728
-0.00002301 -0.00017759 0.00017894
0.01057623 -0.02283235 0.00934753
-8.03087135 -0.70359888 -14.06417527
-0.00032647 0.00019478 -0.00032570
0.04907784 -0.01908809 0.00326660
-10.79217801 2.11059277 -7.43219843
-0.00018815 0.00012056 0.00053129
-0.00215557 0.00191505 0.00468676
-0.17877855 -5.73459496 15.02814024
-0.00009593 -0.00006177 0.00020533
0.01506782 0.00758462 0.03848963
-25.23697747 -0.53140557 -20.85559239
-0.00044252 -0.00016789 0.00015218
0.01242887 0.02074074 0.03005544
8.89999305 7.50449794 7.84897147
-0.00001156 0.00007100 0.00001783
-0.01724140 -0.01983056 0.00814547
20.76913271 28.75624743 -4.81016729
-0.00003128 0.00010856 -0.00013047
-0.00102191 0.02160890 -0.01141739
7.76748024 -1.61805475 -7.16994699
0.00002771 0.00007282 -0.00008086
0.00922924 -0.04828698 -0.00489092
-9.57402704 -3.60504254 13.07083457
0.00039539 0.00015634 0.00044384
-0.04022659 -0.00310970 0.03865964
-1.42550821 -22.72359897 13.85079167
0.00020616 -0.00008138 0.00004855
-0.00655399 -0.01520156 0.00345859
-11.07505211 -8.64427811 -8.41589210
-0.00012384 -0.00041312 0.00038528
-0.01582061 0.03503139 0.01002939
-16.03057173 -8.51519616 -15.59504352
0.00029152 -0.00005229 0.00010445
-0.01063004 -0.04074029 0.01170289
16.36623497 12.52449756 3.46902885
0.00039246 0.00026730 0.00008300
-0.00421587 -0.01389433 0.02786986
20.42016689 -4.63024013 -14.72716045
-0.00025076 0.00014402 0.00001859
-0.01913826 -0.02825100 0.00950919
-0.76457639 8.11986410 -14.77579390
0.00039240 0.00013258 -0.00021269
0.00538528 -0.00778724 0.00156741
0.85108653 -0.92283063 -16.62707889
-0.00015674 0.00010500 -0.00033729
0.03449462 0.00736258 -0.00785079
11.49866909 21.15996448 -23.04437868
0.00019096 -0.00034893 -0.00017854
-0.00585347 -0.00234739 -0.00765923
-11.29187353 15.11016878 -15.88962186
0.00005342 0.00022267 -0.00044634
0.01420312 0.01718678 -0.01747351
4.26170615 17.42887142 11.08152757
0.00024545 0.00023122 -0.00032243
-0.04750450 0.02977610 -0.01573352
-2.02108839 -11.05685591 -3.48714347
-0.00029670 -0.00016260 -0.00031949
-0.01212629 0.01193064 0.00050946
1.23022277 -7.85967939 3.69643618
-0.00008778 -0.00058877 -0.00005405
-0.02863439 0.01889535 -0.00180774
9.55161915 1.72934331 8.02608900
0.00013883 0.00027565 0.00020723
0.00025780 0.01292647 -0.00266241
-7.01500792 -9.53619594 -2.92098047
0.00026206 0.00017010 -0.00007006
-0.00575154 -0.00309920 0.02447262
3.95226073 -12.62712606 -12.89043388
0.00001521 0.00026469 -0.00011803
-0.02593346 0.01231413 -0.01136953
1.08417816 -4.65433863 -1.09644116
0.00018835 0.00000383 0.00021654
-0.00512015 -0.00084070 0.00505136
16.73876368 4.36849615 27.39602824
0.00029614 0.00008255 -0.00030591
0.00585508 0.03321006 -0.00010511
-9.60684565 6.33242223 -4.54309145
0.00009738 -0.00032687 0.00009405
-0.02930958 -0.02382672 0.01825564
-5.17467861 14.90004444 -9.00890649
0.00021438 0.00006667 -0.00034064
0.01094731 -0.00380814 0.00428017
3.10634714 12.18767766 -6.83401919
-0.00008443 0.00000091 0.00003035
0.01957919 0.00367594 -0.01450090
-4.37783391 11.72144469 -13.75645814
0.00025919 0.00021323 -0.00003257
0.02095633 -0.00236613 -0.00701504
3.73449804 7.19857793 17.46041415
0.00033790 -0.00004914 -0.00004738
-0.00435845 -0.00226694 -0.02313245
-15.01678132 8.85252469 -8.98142100
-0.00030409 -0.00003043 -0.00036202
-0.04123934 -0.01011637 0.01020992
3.74735080 9.10623047 0.25596313
-0.00004283 0.00027506 0.00033323
-0.00290421 -0.01159125 -0.00967538
15.63144068 -23.98096358 -26.60806677
0.00026774 -0.00004415 -0.00016988
0.01592578 -0.01886985 0.05282521
5.87676361 4.32597317 -0.02022241
-0.00027525 -0.00015747 0.00023555
0.04314701 0.01383546 0.03004733
16.94764913 -5.34825945 0.48862577
0.00017717 0.00012006 -0.00012070
0.00808058 -0.01233202 -0.03095322
-4.44693805 2.62430193 -2.83456819
-0.00024988 -0.00035392 0.00015165
-0.02230759 -0.00458874 0.02861569
0.98249877 2.29669976 -11.99272920
-0.00001296 0.00018141 0.00027439
0.00607252 -0.00696543 0.05438482
15.67682786 9.07809547 -7.52058200
-0.00020060 -0.00015541 0.00003567
0.01599481 -0.02849040 -0.00882305
-6.11310075 0.96583033 12.63042550
-0.00035590 -0.00009220 0.00035901
-0.03111385 0.03018760 0.02631269
-3.39189769 -16.24561157 12.51877919
-0.00021602 0.00014637 0.00050117
-0.00483250 -0.02597105 0.01129027
6.99618139 -7.06258648 -5.89499740
-0.00002224 0.00005993 -0.00015097
-0.00574067 -0.00362845 0.00099016
-1.20982126 -11.53981377 1.75352487
0.00013093 0.00013005 -0.00022016
0.00674521 -0.01301614 -0.01239236
-16.45641992 -1.80118315 5.03929287
0.00028987 0.00008880 0.00024794
-0.03165255 -0.02347341 -0.00840779
-8.91511200 3.85215135 -21.69501662
-0.00030730 -0.00052882 -0.00047111
0.00536260 -0.01726113 -0.01829522
2.18293203 1.28789537 -1.34904175
-0.00005147 -0.00007166 0.00024754
0.00821404 -0.01040966 0.05402285
12.33529354 8.69600001 3.82220784
0.00011894 -0.00026636 0.00000434
-0.03355983 -0.03109008 -0.00322940
-7.26711522 -4.35234464 2.22841671
0.00066914 0.00047539 0.00067282
-0.03822428 0.01187626 0.01168513
-9.74132691 -2.36827926 2.45281055
-0.00107600 -0.00193859 0.00082471
0.00670781 -0.00473261 -0.01264426
-16.76830472 6.06563275 6.92126459
0.00054420 -0.00012151 -0.00021100
0.02054197 0.02791795 0.00914663
-17.01071593 3.79268273 5.32324176
0.00022907 0.00011920 0.00013830
-0.01531567 0.00504918 0.01026592
-15.63729172 0.78862578 0.74183597
-0.00024315 -0.00032374 0.00015747
-0.00527202 0.04429809 -0.00148480
-17.25505585 -1.43945511 -0.52219013
-0.00023865 -0.00171252 0.00009210
0.03520126 0.02175900 0.02841819
2.07323095 -21.25707736 14.96346268
-0.00047754 -0.00014426 0.00025384
-0.02558869 0.00797845 -0.01556309
4.06438615 -18.92349291 15.72375401
0.00021390 0.00036207 0.00018420
-0.01989694 -0.00187432 -0.00552708
8.36620111 14.30659627 -1.14102602
0.00019826 0.00022904 -0.00079606
0.00443738 -0.01576175 0.00608188
7.88160240 16.92369695 0.16206910
-0.00076050 -0.00068660 0.00046838
-0.00788698 -0.01650804 -0.02379547
-8.63816332 9.00481896 12.41189984
0.00018586 0.00017434 0.00016766
-0.00163733 0.00467297 -0.01933965
-10.33901732 11.08432383 12.13066876
-0.00042864 0.00079320 -0.00039164
-0.01223891 0.01672406 -0.00415341
-9.54217014 0.18696500 -13.87096256
-0.00040106 -0.00019758 -0.00088621
-0.04227809 0.01598190 -0.00822205
-8.22607043 -2.05244306 -15.29182305
0.00007331 0.00026131 0.00120328
-0.00617333 0.00554588 -0.00460953
-12.14200741 1.11680290 -6.68267383
-0.00017122 0.00040964 -0.00100129
0.00571221 -0.00497876 -0.00741322
-10.41808840 3.38906826 -6.15066639
-0.00016718 0.00084905 0.00115008
0.00363699 0.00969252 -0.00164914
-1.83804683 -6.15798019 14.47353083
0.00020058 0.00073625 0.00002742
-0.02257395 -0.01134875 -0.00470186
-0.21441191 -5.81160424 16.92577922
-0.00006926 -0.00003539 0.00019745
-0.00046439 0.00569297 -0.02832826
-24.53244561 -0.37037403 -19.07948551
-0.00110029 -0.00043125 0.00016095
-0.00767592 -0.00181835 -0.03520264
-25.60729686 1.19213555 -21.48465935
-0.00019748 0.00016878 0.00024321
0.00585932 -0.02025037 0.00211180
9.67659704 8.47786746 6.56080754
-0.00099180 0.00103003 0.00047914
0.01703921 0.00626748 -0.01780780
10.04435607 7.63882088 9.26445548
0.00001921 -0.00044446 -0.00010473
0.00503935 0.00974025 0.00459674
19.77084616 27.41887899 -4.08011551
0.00001171 -0.00000740 -0.00020690
-0.00605404 -0.00871623 0.00448046
20.07149375 30.49936991 -4.26316613
-0.00030162 0.00029213 -0.00016060
0.01481492 -0.01942074 -0.00223398
6.52709444 -0.40017370 -6.85174281
-0.00033945 0.00062240 0.00022615
-0.03017175 0.02560519 0.00440246
6.75131954 -3.22054672 -7.21214826
0.00040600 -0.00053916 -0.00013482
0.02133823 0.01677479 0.00036334
-8.70303711 -2.40861416 12.12235376
0.00076724 0.00000806 0.00015385
0.01646176 0.02450884 -0.02436337
-10.90025296 -2.58574178 14.02313397
-0.00121811 -0.00038403 -0.00002555
0.02090750 -0.02541061 -0.02115154
-1.34456272 -24.53392967 14.33495018
-0.00086715 0.00071020 0.00109620
0.00706698 0.01467454 -0.00460297
-3.19520664 -22.41390913 13.37118977
0.00040840 0.00016351 -0.00005723
0.00930365 0.00069320 0.00996493
-12.51292726 -7.91868206 -7.26311611
0.00129102 0.00109576 0.00017649
0.02009194 -0.01484712 -0.02012763
-10.30824670 -7.15617026 -9.27519808
0.00039314 0.00110438 -0.00119472
-0.01408606 -0.01553624 0.01852190
-16.01499963 -10.37957505 -15.13960415
-0.00034630 0.00008055 -0.00098681
-0.00354978 0.03675914 -0.01344846
-14.30745593 -8.07115845 -16.08559646
-0.00012969 -0.00003231 -0.00023093
0.00594218 0.00259174 0.00159685
16.66008505 12.54471737 5.32130768
0.00038427 0.00027000 0.00006161
-0.00183290 -0.00331552 -0.01079010
17.29985000 13.96659908 2.97959235
0.00036227 -0.00013878 -0.00020898
0.00694483 0.01780898 -0.01296181
18.89814150 -3.81015517 -15.22623622
-0.00097801 -0.00042265 0.00022673
-0.01930200 -0.00481333 0.00097573
21.51819436 -3.37229066 -15.35000851
-0.00023529 -0.00030804 -0.00012307
0.03721991 0.02892607 -0.00949218
-2.00735261 7.27393681 -13.77041768
0.00101136 0.00004609 -0.00024127
-0.01047445 -0.00394695 0.01243135
0.12161531 6.65218974 -15.41171907
-0.00057951 0.00045898 -0.00033586
0.00798854 0.00280254 -0.00920170
1.02087071 0.34410456 -15.29112396
0.00009273 0.00037618 -0.00057909
-0.00384923 -0.00093265 0.00087753
2.76372121 -1.19694271 -17.09025692
-0.00071397 0.00057463 -0.00075718
-0.03128444 0.00230597 0.01338713
11.97738233 22.95621365 -22.82551576
0.00125354 0.00100369 0.00046826
-0.01591433 -0.01089352 0.00334373
9.63660198 20.85535846 -23.22924326
0.00037787 0.00007597 0.00012095
0.02770569 0.01752656 0.00631456
-10.17787381 16.31196638 -16.93457969
0.00055736 0.00007037 -0.00072276
-0.01634496 -0.01887213 0.01634111
-10.54834693 14.66920908 -14.29341723
-0.00089247 0.00028860 0.00064746
0.00537819 0.00360862 -0.00385658
2.52002433 18.26980928 11.08419055
0.00107088 0.00060960 0.00007919
0.03940561 -0.02465861 0.00949564
4.71951563 17.80023294 9.34116159
-0.00003266 0.00018694 0.00024687
0.00751561 -0.00335426 0.00215315
-3.81811518 -10.41351768 -3.51846396
0.00136534 -0.00010833 0.00107164
0.02698363 -0.01030142 0.01819177
-1.28612673 -11.04247318 -1.74453180
-0.00017550 -0.00012581 0.00046572
-0.02106959 0.00169774 -0.01004554
0.41153186 -6.63504253 4.80509894
-0.00029495 0.00002277 0.00017115
-0.00692135 -0.00617913 -0.00212970
2.90478072 -7.78289914 4.25017622
-0.00053967 -0.00070249 0.00009015
0.04315385 -0.00556372 0.01356972
9.18362952 2.03111584 9.79073850
-0.00168083 0.00020158 -0.00043190
-0.00291525 -0.00111707 -0.00199695
9.43430235 3.43149224 7.27302425
0.00024230 -0.00040481 0.00015968
0.00147997 -0.00862819 0.00817357
-7.62478923 -9.05636869 -4.55382313
-0.00096651 0.00026278 -0.00028707
-0.01410576 0.00073915 -0.00391254
-8.43683648 -10.23293250 -1.87590337
0.00049856 0.00038509 -0.00052082
0.01520625 0.00941150 -0.02217571
4.96970319 -13.81946673 -12.05320367
-0.00003116 0.00021705 0.00031480
0.01990629 -0.01454473 0.01346970
2.27235526 -13.38890587 -13.03172493
-0.00021954 0.00003006 -0.00112222
0.00359549 0.00840734 -0.00484357
1.32555434 -6.11351868 -0.02372504
-0.00040523 0.00094211 -0.00025444
0.00621158 -0.00521997 -0.00072180
-0.15636346 -3.77065405 -0.08603605
0.00017860 0.00011287 0.00017048
-0.00278809 0.00619089 -0.00633853
17.48916977 3.69284668 25.92691126
0.00013385 -0.00038219 -0.00036802
0.00822077 -0.00403696 -0.01622348
16.11966213 2.95074279 28.23562722
0.00098635 0.00116437 0.00031186
-0.01529926 -0.03058254 0.01960385
-11.14315633 7.26452049 -4.01870575
0.00066306 -0.00022983 -0.00052802
0.02297829 0.00469830 -0.00836254
-8.44188619 7.24613926 -5.60340065
-0.00077685 -0.00054778 -0.00014568
0.00096939 0.02077650 0.00031089
-6.37976445 16.21187549 -9.33764014
0.00000259 -0.00005739 0.00029837
-0.00609227 0.00523182 0.00381711
-4.77004799 14.17884789 -10.63497616
0.00012218 -0.00002705 -0.00024360
0.00181244 -0.00402790 -0.00680051
3.00943868 10.46926610 -6.30393076
-0.00004651 -0.00052569 0.00067030
-0.00281322 -0.01443330 0.00973010
1.59717676 13.05977285 -6.43534337
-0.00055982 0.00066608 -0.00061998
-0.01937823 0.00788836 0.00268063
-2.74191886 10.89353992 -14.35175448
0.00096572 0.00006844 -0.00004271
-0.03906212 0.00751959 0.01252307
-5.76330377 10.52369519 -13.57833792
0.00020262 -0.00008295 0.00008602
0.01157195 -0.00309803 0.00201792
3.81165168 7.93959433 19.11362854
0.00016830 0.00024222 -0.00008664
0.00678084 0.00465993 0.01448816
1.91548235 6.91613634 17.25790419
-0.00014917 0.00098659 -0.00019000
-0.00603257 -0.00525702 0.00265040
-13.33104071 8.69639924 -8.48297435
-0.00163844 -0.00020939 0.00030831
0.03270773 -0.00193612 0.00589328
-16.00220818 8.08615808 -7.58765776
0.00023867 -0.00013198 0.00037666
0.00842606 0.01010372 -0.00907862
5.10707738 10.18471684 0.66428421
0.00112674 0.00075008 -0.00102945
0.03331268 0.01282574 -0.00790499
2.70148422 9.37260153 1.66696194
-0.00147384 0.00006983 0.00083907
-0.03201500 -0.00417778 0.01502227
14.14802207 -24.17748341 -25.52404821
0.00074077 0.00041838 0.00028812
-0.00203689 0.00273625 -0.00177235
15.01489033 -23.39302195 -28.12847369
-0.00010379 -0.00062985 -0.00049244
-0.01557479 0.01432063 -0.04334847
4.93602467 3.31394549 -1.10070843
-0.00014722 -0.00005885 -0.00012833
-0.03290142 -0.01237310 -0.01961843
5.00277614 5.91632697 0.24787883
-0.00053257 -0.00053461 -0.00025226
-0.00112565 0.00040953 -0.00199845
17.00817847 -3.84428555 -0.54009409
-0.00069185 -0.00052894 0.00027862
0.00909644 0.00826603 0.00458221
16.77174478 -6.64820710 -0.85570712
0.00041926 0.00084678 0.00036070
-0.00807419 0.00240381 0.01704509
-5.66003221 3.45202203 -1.58368032
-0.00128067 -0.00029820 0.00101160
0.01649919 -0.02431083 -0.03084883
-5.01525182 0.79511495 -3.18031798
-0.00013506 0.00012369 -0.00038730
0.00187997 0.03570095 0.00310039
2.53996382 2.87451468 -11.08171192
-0.00021430 0.00005702 -0.00038883
-0.02505201 -0.00878452 -0.02621215
0.00107150 1.48563498 -10.50921943
-0.00107617 0.00048467 0.00038229
0.01932474 0.01043950 -0.03868268
16.84702726 7.83557863 -8.46027251
-0.00091141 -0.00099956 0.00102323
-0.01017775 0.00917979 0.00944654
16.64295421 10.59886112 -7.47807961
-0.00102091 0.00045666 0.00086126
-0.00042584 0.01262130 0.00036945
-6.29814044 0.53017191 10.91608128
-0.00070884 -0.00007663 0.00058428
-0.00010018 -0.01251320 -0.03698765
-7.86757658 1.66573197 13.02177663
0.00063491 0.00034386 -0.00053294
0.02665384 -0.01235813 0.00749109
-2.23654066 -15.90533045 14.03454362
0.00056312 -0.00151742 -0.00039024
-0.02078400 -0.02143039 -0.01552961
-4.17958073 -18.04151891 12.55315483
-0.00056772 0.00124414 -0.00000724
0.02510556 0.04350814 0.00822396
7.17384925 -6.49320420 -4.09200456
0.00013002 0.00039025 -0.00016306
0.00000578 0.00015877 -0.01460672
5.63281587 -8.36912284 -5.81341959
0.00002935 0.00043668 -0.00133899
0.01072932 0.01260029 -0.00426440
-2.85428439 -11.73749030 2.48258836
0.00035947 0.00032997 -0.00041205
-0.01143047 -0.00035201 0.00165382
-0.34892932 -10.36011843 2.86120446
0.00035070 -0.00039015 -0.00028608
0.00304575 0.00752664 -0.00019902
-15.20271418 -0.92321556 5.91846831
0.00110911 -0.00013854 -0.00061264
0.02408796 0.01913802 0.01690561
-16.17809119 -1.63347625 3.16155324
0.00003306 -0.00034824 -0.00067341
0.00641396 -0.00089483 0.01384551
-9.56624115 4.91912534 -23.01691194
-0.00021135 -0.00008345 -0.00040454
-0.00029757 0.00760601 -0.00457621
-8.99525785 4.82334320 -20.18881339
-0.00000035 -0.00006170 0.00029047
-0.00141100 0.01460609 0.01809034
2.05040871 1.48307050 -3.08920955
-0.00006331 0.00020556 -0.00072350
-0.01943055 -0.00357352 -0.03941088
0.70556645 0.77246610 -0.37749344
0.00089808 -0.00048795 -0.00046978
0.00258390 0.00432879 -0.02116107
13.65276252 9.80303182 4.16982773
0.00039943 -0.00010038 -0.00085718
0.02729893 0.02666342 0.00067621
11.28714295 9.49125396 2.53995609
0.00079011 -0.00031045 0.00069736
0.00195681 0.00255174 -0.00513183
5.48386515 -8.98934835 -10.67477718
-0.00005692 -0.00026520 0.00012734
-0.00006139 -0.00132137 0.00306436
-13.02050739 10.44398281 21.12252895
-0.00005471 -0.00004007 0.00014794
0.01130772 -0.00060828 -0.00089540
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06902681
0.32330767
430.79126344
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0714389535
ExchangeOperator: pair fraction: ispin=0: 0.1878853434
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3859277444 (a.u.)
total exchange computation time: 3.5025620461 s
-154.1903138393
-931.39426304
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0714389535
ExchangeOperator: pair fraction: ispin=0: 0.1878853434
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3853626155 (a.u.)
total exchange computation time: 3.5038020611 s
-154.1959250643
Anderson extrapolation: theta=1.3442373529 (1.3442373529)
-931.39450903
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0714389535
ExchangeOperator: pair fraction: ispin=0: 0.1878853434
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3844992660 (a.u.)
total exchange computation time: 3.4994969368 s
-154.2042277082
Anderson extrapolation: theta=0.0496904798 (0.0496904798)
-931.39465435
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0714389535
ExchangeOperator: pair fraction: ispin=0: 0.1878853434
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3843748499 (a.u.)
total exchange computation time: 3.4992380142 s
-154.2052806963
Anderson extrapolation: theta=1.9097120512 (1.9097120512)
-931.39465947
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0714389535
ExchangeOperator: pair fraction: ispin=0: 0.1878853434
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3841135808 (a.u.)
total exchange computation time: 3.5000741482 s
-154.2074244572
Anderson extrapolation: theta=0.2148369590 (0.2148369590)
-931.39466466
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0714389535
ExchangeOperator: pair fraction: ispin=0: 0.1878853434
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3840512467 (a.u.)
total exchange computation time: 3.5016109943 s
-154.2078837011
Anderson extrapolation: theta=1.8965405102 (1.8965405102)
-931.39466563
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0714389535
ExchangeOperator: pair fraction: ispin=0: 0.1878853434
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3839536429 (a.u.)
total exchange computation time: 3.5007951260 s
-154.2085512534
Anderson extrapolation: theta=0.2789162990 (0.2789162990)
-931.39466684
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0714389535
ExchangeOperator: pair fraction: ispin=0: 0.1878853434
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3839475347 (a.u.)
total exchange computation time: 3.5014510155 s
-154.2085401385
Anderson extrapolation: theta=1.3121671765 (1.3121671765)
-931.39466713
239.279829 32.166103 245.829843
-140.997091 489.441112 -803.334688
98.282739 521.607215 -557.504845
769.769599
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0714389535
ExchangeOperator: pair fraction: ispin=0: 0.1878853434
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3839555084 (a.u.)
total exchange computation time: 3.5007929802 s
679.10162130
-1083.98320409
89.66045861
-388.94476265
-174.84482503
78.43517934
551.60419304
0.00000000
-931.39466737
-8.82230575 -3.72870188 3.26800976
0.00012312 -0.00024095 0.00009586
0.02588708 -0.01832314 0.01974200
-17.90716442 4.72624234 6.65036746
-0.00002328 -0.00043718 -0.00016513
-0.00342124 -0.02536062 -0.02099782
-15.69555444 -0.96718363 0.58521099
0.00013464 0.00024547 0.00009751
-0.03351581 -0.06769279 -0.05190620
3.55162092 -20.68496985 15.75877599
-0.00037428 0.00000215 -0.00028264
0.04290966 0.00311479 0.02489087
7.35624528 15.82794167 -1.27324906
0.00021831 0.00018982 -0.00020948
0.00378175 0.02984839 0.03418843
-9.73922674 9.71745482 11.05515744
-0.00001797 -0.00018849 0.00018400
0.00901914 -0.01956297 0.01034514
-8.03557909 -0.70075084 -14.06904819
-0.00030086 0.00018641 -0.00032260
0.05049726 -0.01344794 0.00881000
-10.79500863 2.11240856 -7.42421095
-0.00018778 0.00012346 0.00053401
0.00361154 0.00937709 0.00587472
-0.18015933 -5.73549221 15.03136859
-0.00008742 -0.00005773 0.00022529
0.01802348 0.00812279 0.03914144
-25.24356733 -0.53384392 -20.85319380
-0.00043643 -0.00015699 0.00016717
0.01126165 0.02166576 0.02825606
8.89975307 7.50548645 7.84927027
-0.00002075 0.00006053 0.00002209
-0.01846933 -0.02088537 0.00844637
20.76865950 28.75795919 -4.81216842
-0.00003188 0.00011968 -0.00013620
-0.00128855 0.02163578 -0.01087153
7.76793155 -1.61714872 -7.17117880
0.00003125 0.00004888 -0.00008314
0.00453185 -0.04480674 -0.00395978
-9.56825129 -3.60270951 13.07764126
0.00037457 0.00015518 0.00046351
-0.04075597 -0.00139336 0.03785365
-1.42244113 -22.72487835 13.85153326
0.00020272 -0.00008839 0.00005021
-0.00679986 -0.01204097 0.00298668
-11.07697080 -8.65033972 -8.41007421
-0.00013014 -0.00039246 0.00038861
-0.00866270 0.04527789 0.00291053
-16.02624000 -8.51613767 -15.59343161
0.00028546 -0.00007271 0.00011036
-0.01290321 -0.03867630 0.01127595
16.37210562 12.52845349 3.47038128
0.00038999 0.00025973 0.00009734
-0.00537189 -0.01554963 0.02790588
20.41633161 -4.62818873 -14.72684487
-0.00026138 0.00012944 0.00002346
-0.02215560 -0.02846804 0.00942428
-0.75866961 8.12182280 -14.77897822
0.00039501 0.00012980 -0.00021181
0.00476991 -0.00301656 0.00184799
0.84886850 -0.92122721 -16.63216859
-0.00013936 0.00010896 -0.00034122
0.03307983 0.00802294 -0.00741313
11.50151095 21.15472155 -23.04708638
0.00018917 -0.00034774 -0.00018208
-0.00112952 0.00695617 -0.00610543
-11.29101738 15.11357517 -15.89638435
0.00006117 0.00023125 -0.00045448
0.01593359 0.01616311 -0.01417553
4.26520464 17.43245461 11.07663039
0.00022155 0.00024596 -0.00032941
-0.04544748 0.02753646 -0.01140727
-2.02558572 -11.05924887 -3.49193390
-0.00030045 -0.00015708 -0.00031774
-0.00244699 0.00953923 0.00629654
1.22879557 -7.86843800 3.69561850
-0.00010368 -0.00057824 -0.00005448
-0.03316818 0.02203708 0.00011857
9.55370263 1.73352796 8.02918723
0.00013910 0.00028130 0.00020584
0.00077257 0.00903976 -0.00276405
-7.01109926 -9.53365635 -2.92193702
0.00025891 0.00016913 -0.00005923
-0.00649842 -0.00069643 0.01766791
3.95238880 -12.62310825 -12.89224822
0.00000166 0.00027040 -0.00012375
-0.02675378 0.00991512 -0.01084511
1.08698362 -4.65428444 -1.09317350
0.00018531 0.00000522 0.00021805
-0.00670677 0.00623301 0.00081080
16.74322836 4.36986253 27.39143915
0.00029997 0.00010098 -0.00030735
0.00904564 0.03843174 -0.00547928
-9.60549795 6.32742723 -4.54161022
0.00008250 -0.00033990 0.00010370
-0.02857114 -0.02685182 0.01925346
-5.17142073 14.90102980 -9.01399957
0.00022006 0.00006469 -0.00033822
0.01113391 -0.00389785 0.00513088
3.10515628 12.18770556 -6.83361985
-0.00007546 0.00000211 0.00002356
0.01527956 0.00097250 -0.01191739
-4.37386530 11.72463403 -13.75697371
0.00027031 0.00021145 -0.00003636
0.02229963 -0.00455249 -0.00774366
3.73954978 7.19783214 17.45961425
0.00033502 -0.00005023 -0.00005913
-0.00685905 -0.00197325 -0.02258198
-15.02150168 8.85202923 -8.98681187
-0.00032769 -0.00003579 -0.00035676
-0.05057002 -0.01071201 0.01023138
3.74669710 9.11031158 0.26092427
-0.00004461 0.00027035 0.00033046
-0.00400049 -0.00671226 -0.00111246
15.63551828 -23.98169857 -26.61041123
0.00027598 -0.00005350 -0.00014363
0.01609258 -0.01749965 0.04926757
5.87280135 4.32366448 -0.01657329
-0.00025322 -0.00015098 0.00025058
0.04250443 0.01139305 0.02840609
16.95033778 -5.34650605 0.48669586
0.00018146 0.00011349 -0.00013484
0.00860323 -0.01323581 -0.02403179
-4.45077223 2.61897540 -2.83218311
-0.00026209 -0.00035507 0.00016737
-0.02519729 0.00014430 0.03251243
0.98232785 2.29939400 -11.98840351
-0.00001104 0.00017742 0.00030204
0.00137108 -0.00855551 0.05311249
15.67388056 9.07565438 -7.52008104
-0.00019296 -0.00016973 0.00003159
0.01372484 -0.02717838 -0.00701933
-6.11855926 0.96456380 12.63591213
-0.00037082 -0.00007707 0.00037224
-0.02692524 0.02865818 0.02513028
-3.39515669 -16.24351613 12.52634029
-0.00021848 0.00013359 0.00050637
-0.00472193 -0.02374175 0.00891638
6.99582569 -7.06170156 -5.89725815
-0.00002465 0.00005873 -0.00015054
-0.00363587 -0.00103058 0.00068803
-1.20783131 -11.53791323 1.75017469
0.00013464 0.00012303 -0.00022715
0.00769610 -0.01426605 -0.01481038
-16.45219397 -1.79994174 5.04297951
0.00027393 0.00007695 0.00024280
-0.03032680 -0.02260156 -0.01155832
-8.91970075 3.84415255 -21.70215385
-0.00030470 -0.00053640 -0.00047916
0.00471284 -0.01222793 -0.01301547
2.18219174 1.28678037 -1.34512028
-0.00004590 -0.00007617 0.00027155
0.01343268 -0.00714934 0.03933835
12.33694816 8.69188475 3.82226055
0.00010317 -0.00028247 0.00000386
-0.02775343 -0.03158681 0.00135614
-7.25824937 -4.34484985 2.23886707
0.00051202 0.00052354 0.00071902
-0.03868755 0.01169065 0.01092889
-9.75726134 -2.39750306 2.46479367
-0.00105503 -0.00194623 0.00076543
0.00355744 0.00099086 -0.01637289
-16.75951229 6.06466564 6.91837990
0.00061998 -0.00001595 -0.00017457
0.01655660 0.02375386 0.00868694
-17.00774922 3.79462543 5.32563088
0.00016862 0.00013570 0.00017560
-0.01427320 0.00303078 0.00799259
-15.64110056 0.78512716 0.74415258
-0.00026624 -0.00013329 0.00015126
-0.00602914 0.04892867 -0.00155619
-17.25755699 -1.46447621 -0.51993785
-0.00008975 -0.00161871 0.00021115
0.03768889 0.02416394 0.02985854
2.06528368 -21.25899675 14.96679336
-0.00058338 -0.00011135 0.00018920
-0.02621833 0.00813194 -0.01607585
4.06698501 -18.91811935 15.72634768
0.00012965 0.00034771 0.00016145
-0.02134540 -0.00515508 -0.00561070
8.36931103 14.30954893 -1.15278052
0.00021684 0.00016398 -0.00077071
0.00465670 -0.01608600 0.00632656
7.86995329 16.91289217 0.16836563
-0.00079077 -0.00075154 0.00037377
-0.00693502 -0.01528528 -0.02251666
-8.63542558 9.00757729 12.41382218
0.00017850 0.00019432 0.00008987
-0.00196550 0.00510436 -0.01874143
-10.34582193 11.09673429 12.12466686
-0.00047526 0.00085351 -0.00041198
-0.01058512 0.01279716 -0.00580465
-9.54948162 0.18449097 -13.88450768
-0.00057530 -0.00013097 -0.00091886
-0.04301035 0.01662420 -0.00775744
-8.22515995 -2.04835346 -15.27391506
0.00004678 0.00027131 0.00117338
-0.00681546 -0.00065246 -0.01002791
-12.14440069 1.12279489 -6.69792028
-0.00015621 0.00038392 -0.00102544
0.00163453 -0.00760888 -0.00441131
-10.42048465 3.40210098 -6.13346572
-0.00015581 0.00087872 0.00113490
0.00192602 0.00483162 -0.00578226
-1.83572987 -6.14728416 14.47379808
0.00010291 0.00068833 0.00000658
-0.02523465 -0.01211174 -0.00549985
-0.21546510 -5.81196068 16.92787285
-0.00007153 -0.00001233 0.00008233
-0.00064341 0.00559573 -0.02802245
-24.54918510 -0.37689851 -19.07815000
-0.00112992 -0.00043818 0.00002012
-0.00683106 -0.00157475 -0.03373591
-25.61007943 1.19404679 -21.48094653
-0.00017298 0.00008348 0.00025213
0.00613168 -0.02150892 0.00225632
9.66224216 8.49350993 6.56744889
-0.00092102 0.00105722 0.00040521
0.01760671 0.00704573 -0.01838118
10.04479862 7.63245251 9.26302536
0.00004097 -0.00040415 -0.00008512
0.00561358 0.00999118 0.00500378
19.77083623 27.41850088 -4.08308168
-0.00001247 -0.00004211 -0.00018859
-0.00577743 -0.00827247 0.00447982
20.06742336 30.50315676 -4.26564357
-0.00024071 0.00021126 -0.00017041
0.01500402 -0.02016804 -0.00256676
6.52107817 -0.39005307 -6.84821559
-0.00045325 0.00071545 0.00024156
-0.02553451 0.01994474 0.00313955
6.75806343 -3.22812013 -7.21415948
0.00049322 -0.00046691 -0.00013293
0.02135406 0.01859436 0.00056210
-8.69102409 -2.40774219 12.12391486
0.00082980 0.00010477 0.00005880
0.01416009 0.02283033 -0.02216339
-10.91788389 -2.59228082 14.02210254
-0.00112761 -0.00048812 -0.00011472
0.02339136 -0.02554604 -0.02249810
-1.35735343 -24.52282695 14.35125209
-0.00083678 0.00076324 0.00107866
0.00779987 0.01128526 -0.00397996
-3.18879555 -22.41143517 13.37063671
0.00044454 0.00016729 -0.00001693
0.00838602 0.00115261 0.00976177
-12.49294621 -7.90270068 -7.26108557
0.00136796 0.00103384 0.00009686
0.01756651 -0.01546285 -0.01885268
-10.30278128 -7.14008063 -9.29255124
0.00032675 0.00102173 -0.00110773
-0.01841076 -0.02492038 0.02406028
-16.02030294 -10.37724037 -15.15481836
-0.00035990 0.00022600 -0.00103948
-0.00310809 0.03443898 -0.01233534
-14.30921917 -8.07156364 -16.08901145
-0.00010172 -0.00002113 -0.00022553
0.00774735 0.00288105 0.00104479
16.66579295 12.54866571 5.32190117
0.00037704 0.00025663 0.00001826
-0.00170784 -0.00322513 -0.01043026
17.30549693 13.96506317 2.97606052
0.00039248 -0.00006307 -0.00026267
0.00784227 0.01924797 -0.01332133
18.88287986 -3.81664242 -15.22280542
-0.00105027 -0.00044401 0.00023190
-0.01607145 -0.00564072 0.00155875
21.51580553 -3.37602482 -15.35214536
-0.00008361 -0.00018749 -0.00016298
0.03703084 0.03008229 -0.01004551
-1.99250324 7.27450723 -13.77365578
0.00096336 0.00002841 -0.00018625
-0.01302052 -0.00470857 0.01450041
0.11316739 6.65916026 -15.41703899
-0.00054050 0.00046225 -0.00037847
0.01110878 -0.00120081 -0.01165357
1.02214378 0.34971875 -15.29978348
0.00007668 0.00037176 -0.00057567
-0.00400931 -0.00123576 0.00079732
2.75205301 -1.18825253 -17.10120443
-0.00083843 0.00058306 -0.00070287
-0.02964038 0.00181924 0.01319885
11.99569777 22.97093513 -22.81838946
0.00118276 0.00094050 0.00047997
-0.01873397 -0.02003875 0.00239137
9.64311903 20.85703508 -23.22723549
0.00048735 0.00014718 0.00014588
0.02588612 0.01733182 0.00589030
-10.17001422 16.31244360 -16.94492040
0.00049002 -0.00000752 -0.00065407
-0.01661790 -0.01925354 0.01728597
-10.56156920 14.67364868 -14.28382345
-0.00087329 0.00030612 0.00062308
0.00400972 0.00496613 -0.00807692
2.53729497 18.27819769 11.08566934
0.00122485 0.00051160 0.00011830
0.03596648 -0.02331453 0.00964895
4.71925607 17.80293426 9.34493057
0.00000100 0.00017492 0.00024645
0.00896142 -0.00252820 -0.00235616
-3.79680829 -10.41545835 -3.50183188
0.00145745 -0.00014436 0.00114213
0.01810871 -0.00733422 0.01631081
-1.28940485 -11.04430825 -1.73785389
-0.00026261 -0.00011981 0.00041650
-0.02157114 0.00123888 -0.01404622
0.40689547 -6.63489040 4.80760095
-0.00031924 -0.00000861 0.00015718
-0.00496940 -0.00917842 -0.00470742
2.89800800 -7.79360691 4.25194429
-0.00035790 -0.00072485 0.00014740
0.04582347 -0.00538381 0.01445439
9.15832780 2.03410532 9.78419886
-0.00169299 0.00019715 -0.00043629
-0.00304145 -0.00105075 -0.00015552
9.43798219 3.42515570 7.27566986
0.00024790 -0.00043243 0.00018912
0.00126101 -0.00489218 0.00623743
-7.63971907 -9.05240432 -4.55824910
-0.00101861 0.00026333 -0.00029362
-0.01139949 -0.00047057 0.00070885
-8.42889214 -10.22686782 -1.88439522
0.00055635 0.00042099 -0.00060631
0.01308454 0.00816285 -0.01967198
4.96984577 -13.81665663 -12.04806899
0.00004668 0.00016069 0.00036738
0.01819626 -0.01304427 0.01227167
2.26917226 -13.38819739 -13.04870658
-0.00019977 0.00006614 -0.00114084
0.00608337 0.00925655 -0.00427117
1.31966621 -6.09954702 -0.02756378
-0.00037655 0.00090572 -0.00024774
0.00782633 -0.01259055 0.00400324
-0.15376987 -3.76877135 -0.08367306
0.00016732 0.00013882 0.00014369
-0.00273670 0.00651533 -0.00677406
17.49142937 3.68699012 25.92089377
0.00016563 -0.00039773 -0.00043082
0.00733778 -0.00357102 -0.01451451
16.13398855 2.96727124 28.24090585
0.00091909 0.00102785 0.00039930
-0.01762427 -0.03624512 0.02319623
-11.13250630 7.26121695 -4.02688230
0.00074934 -0.00020756 -0.00055919
0.01925839 0.00620547 -0.00689778
-8.45350931 7.23855916 -5.60557634
-0.00076694 -0.00045968 -0.00014923
0.00388476 0.02235296 -0.00204683
-6.37991224 16.21117496 -9.33304765
-0.00002251 -0.00003601 0.00031313
-0.00619702 0.00523158 0.00340774
-4.76815976 14.17831872 -10.63883850
0.00012928 -0.00004332 -0.00027229
0.00166113 -0.00393721 -0.00724500
3.00865482 10.46093847 -6.29357813
-0.00005786 -0.00057275 0.00070658
-0.00274254 -0.00860452 0.00803112
1.58818566 13.07000572 -6.44456086
-0.00062993 0.00069240 -0.00061133
-0.01494376 0.00499540 0.00155217
-2.72863004 10.89479692 -14.35201138
0.00080055 0.00010156 0.00001020
-0.04178877 0.00869595 0.01337447
-5.75990983 10.52235608 -13.57698573
0.00025250 -0.00009343 0.00009390
0.01284533 -0.00203574 0.00183936
3.81438396 7.94337045 19.11277297
0.00019639 0.00026062 -0.00002815
0.00696719 0.00434842 0.01414003
1.91306002 6.93077406 17.25513545
-0.00016958 0.00096469 -0.00017891
-0.00396015 -0.00546147 0.00277626
-13.35461504 8.69319913 -8.47816905
-0.00148409 -0.00021787 0.00033627
0.04284558 -0.00221468 0.00779218
-15.99836993 8.08448798 -7.58228607
0.00027154 -0.00008889 0.00033584
0.00766334 0.01099197 -0.01090494
5.12499930 10.19636113 0.64860020
0.00124727 0.00079257 -0.00106192
0.02568476 0.00797040 -0.00798802
2.67839552 9.37352096 1.68000829
-0.00158644 0.00005206 0.00088224
-0.02310050 -0.00451999 0.00611242
14.15907116 -24.17112387 -25.51978077
0.00072982 0.00042920 0.00028166
-0.00332049 0.00256212 -0.00138872
15.01285628 -23.40203093 -28.13718859
-0.00016583 -0.00057417 -0.00066321
-0.01479469 0.01293471 -0.04024708
4.93280824 3.31268354 -1.10323454
-0.00027880 -0.00010803 -0.00020614
-0.03151095 -0.01169911 -0.01847038
4.99475304 5.90832035 0.24403376
-0.00053849 -0.00052877 -0.00025905
-0.00177151 0.00244875 -0.00132886
16.99807953 -3.85196641 -0.53577439
-0.00065414 -0.00048383 0.00029075
0.00936195 0.01381530 0.00135722
16.77778624 -6.63543170 -0.84977427
0.00038508 0.00084748 0.00042266
-0.00865544 -0.00206462 0.01328507
-5.67873665 3.44680406 -1.56945164
-0.00120575 -0.00040207 0.00087793
0.02017654 -0.02653521 -0.03458142
-5.01722018 0.79806421 -3.18603242
-0.00012863 0.00026504 -0.00037486
0.00126799 0.03349543 0.00298941
2.53598170 2.87510081 -11.08834755
-0.00031138 0.00002278 -0.00049111
-0.02247021 -0.00797634 -0.02385657
-0.01447890 1.49322495 -10.50467047
-0.00099236 0.00052903 0.00022172
0.02170361 0.01127542 -0.03991802
16.83304427 7.82086653 -8.44463460
-0.00094813 -0.00095958 0.00106011
-0.00779724 0.01039092 0.00860483
16.62762751 10.60609774 -7.46514934
-0.00102209 0.00050412 0.00086133
-0.00015307 0.01061391 -0.00033503
-6.30877615 0.52863901 10.92371207
-0.00070823 -0.00012862 0.00043105
0.00040149 -0.01293788 -0.03801745
-7.85723613 1.67051117 13.01401203
0.00073444 0.00029700 -0.00049843
0.02206381 -0.01057967 0.00940533
-2.22873078 -15.92874845 14.02821416
0.00048008 -0.00160129 -0.00044949
-0.01986595 -0.01962228 -0.01347475
-4.18732726 -18.02152365 12.55329831
-0.00046743 0.00141306 0.00002620
0.02398678 0.03918380 0.00814115
7.17579978 -6.48734553 -4.09489800
0.00012812 0.00038931 -0.00022398
-0.00093588 -0.00061922 -0.01521328
5.63358491 -8.36218646 -5.83363512
0.00006998 0.00048527 -0.00135360
0.00915845 0.01118090 -0.00288695
-2.84924257 -11.73255151 2.47645825
0.00030840 0.00032793 -0.00040321
-0.01356980 -0.00064935 0.00267265
-0.34357553 -10.36574007 2.85690716
0.00036479 -0.00035635 -0.00028452
0.00385153 0.00901893 0.00096256
-15.18533935 -0.92470715 5.90979678
0.00120581 -0.00006180 -0.00054514
0.02324679 0.01842692 0.01613520
-16.17739870 -1.63872732 3.15187632
0.00005855 -0.00035194 -0.00060909
0.00606083 -0.00091477 0.01764248
-9.56942054 4.91810660 -23.02312033
-0.00021170 -0.00005398 -0.00042111
0.00012496 0.00682316 -0.00353289
-8.99530638 4.82286533 -20.18390195
-0.00000556 -0.00001049 0.00035130
-0.00113912 0.01045954 0.01168438
2.04886364 1.48604445 -3.10126968
-0.00014032 0.00018853 -0.00086353
-0.01826834 -0.00476355 -0.02913775
0.71911682 0.76527952 -0.38518856
0.00089535 -0.00047444 -0.00054760
-0.00392019 0.00228309 -0.01693280
13.65959054 9.80234315 4.15699068
0.00050842 0.00000490 -0.00085456
0.02604942 0.02487393 0.00060693
11.29905449 9.48667538 2.55025917
0.00078940 -0.00029539 0.00066705
-0.00230045 0.00481887 -0.00970312
5.48301115 -8.99332985 -10.67285880
-0.00005695 -0.00026564 0.00012841
-0.00008615 -0.00116130 0.00291110
-13.02130828 10.44338064 21.12474650
-0.00005210 -0.00004021 0.00014772
0.01112736 -0.00051774 -0.00104038
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06905036
0.32561700
433.86833351
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0714389535
ExchangeOperator: pair fraction: ispin=0: 0.1878853434
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3890185588 (a.u.)
total exchange computation time: 3.5012321472 s
-154.1986714949
-931.39672258
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0714389535
ExchangeOperator: pair fraction: ispin=0: 0.1878853434
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3884411711 (a.u.)
total exchange computation time: 3.5041549206 s
-154.2043453294
Anderson extrapolation: theta=1.3446951055 (1.3446951055)
-931.39696455
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0714389535
ExchangeOperator: pair fraction: ispin=0: 0.1878853434
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3875590321 (a.u.)
total exchange computation time: 3.5009100437 s
-154.2127488140
Anderson extrapolation: theta=0.0496940240 (0.0496940240)
-931.39710752
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0714389535
ExchangeOperator: pair fraction: ispin=0: 0.1878853434
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3874322666 (a.u.)
total exchange computation time: 3.5009629726 s
-154.2138161606
Anderson extrapolation: theta=1.9068956021 (1.9068956021)
-931.39711252
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0714389535
ExchangeOperator: pair fraction: ispin=0: 0.1878853434
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.3871665268 (a.u.)
total exchange computation time: 3.5002601147 s
-154.2159877176
Anderson extrapolation: theta=0.2138028149 (0.2138028149)
-931.39711753
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0714389535
ExchangeOperator: pair fraction: ispin=0: 0.1878853434
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3871033004 (a.u.)
total exchange computation time: 3.4999179840 s
-154.2164529684
Anderson extrapolation: theta=1.8971935439 (1.8971935439)
-931.39711844
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0714389535
ExchangeOperator: pair fraction: ispin=0: 0.1878853434
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3870039603 (a.u.)
total exchange computation time: 3.5024390221 s
-154.2171327044
Anderson extrapolation: theta=0.2792722565 (0.2792722565)
-931.39711956
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0714389535
ExchangeOperator: pair fraction: ispin=0: 0.1878853434
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3869973442 (a.u.)
total exchange computation time: 3.5011210442 s
-154.2171253850
Anderson extrapolation: theta=1.3153275246 (1.3153275246)
-931.39711984
239.285428 32.240620 245.847099
-141.009517 489.483209 -803.369511
98.275911 521.723829 -557.522412
769.860473
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0714389535
ExchangeOperator: pair fraction: ispin=0: 0.1878853434
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3870046475 (a.u.)
total exchange computation time: 3.5035660267 s
679.15049638
-1084.07350794
89.65065236
-388.88509333
-174.85266287
78.48378157
551.60419304
0.00000000
-931.39712004
-8.82035911 -3.73238680 3.26952386
0.00013724 -0.00025168 0.00010714
0.02904133 -0.02339415 0.02411122
-17.90752679 4.71958681 6.64780949
-0.00002419 -0.00044840 -0.00017505
-0.00011110 -0.01827877 -0.01755963
-15.69366414 -0.96376268 0.58647345
0.00011713 0.00020941 0.00007068
-0.03458141 -0.07252253 -0.05242395
3.54617225 -20.68492556 15.75463244
-0.00035198 0.00000440 -0.00026980
0.04379847 0.00563095 0.02502296
7.35953453 15.83090408 -1.27625942
0.00022001 0.00020468 -0.00019245
0.00283398 0.02795169 0.03206385
-9.73946150 9.71455196 11.05795740
-0.00001383 -0.00019761 0.00018952
0.00708275 -0.01589249 0.01110186
-8.03989726 -0.69800655 -14.07385314
-0.00027498 0.00018126 -0.00031658
0.05016620 -0.00658076 0.01456627
-10.79781139 2.11429668 -7.41617815
-0.00018442 0.00013015 0.00053727
0.00943644 0.01662988 0.00680957
-0.18140107 -5.73632680 15.03489890
-0.00007765 -0.00005348 0.00024529
0.01997049 0.00839046 0.03864216
-25.25007031 -0.53611513 -20.85057723
-0.00043098 -0.00014575 0.00018107
0.00992957 0.02200830 0.02580864
8.89937061 7.50631383 7.84963423
-0.00003039 0.00004968 0.00002637
-0.01903922 -0.02132133 0.00817107
20.76817634 28.75983786 -4.81425343
-0.00003263 0.00013063 -0.00014164
-0.00163557 0.02094606 -0.01024434
7.76841783 -1.61658837 -7.17244116
0.00003231 0.00002707 -0.00008488
-0.00042782 -0.03998915 -0.00282524
-9.56278996 -3.60038723 13.08473998
0.00035383 0.00015502 0.00048244
-0.03990046 0.00076938 0.03572635
-1.41942652 -22.72625061 13.85229789
0.00019926 -0.00009370 0.00005160
-0.00666466 -0.00863330 0.00244387
-11.07895633 -8.65605204 -8.40423386
-0.00013291 -0.00036707 0.00038842
-0.00208703 0.05348423 -0.00363426
-16.02200781 -8.51737755 -15.59173270
0.00027833 -0.00009180 0.00011599
-0.01482861 -0.03556532 0.01059612
16.37793482 12.53228946 3.47194900
0.00038704 0.00025149 0.00011154
-0.00613318 -0.01648417 0.02732658
20.41232542 -4.62635696 -14.72645658
-0.00027333 0.00011507 0.00002812
-0.02431654 -0.02739111 0.00870226
-0.75272604 8.12375821 -14.78214828
0.00039722 0.00012939 -0.00021071
0.00383414 0.00141645 0.00243487
0.84690568 -0.91956190 -16.63731548
-0.00012288 0.00011327 -0.00034486
0.03102826 0.00874159 -0.00674795
11.50434409 21.14953228 -23.04984119
0.00018989 -0.00034207 -0.00018482
0.00395017 0.01510599 -0.00454916
-11.29003831 15.11710625 -15.90325619
0.00006969 0.00023921 -0.00046086
0.01716457 0.01481121 -0.01064059
4.26835253 17.43625023 11.07164521
0.00019899 0.00025939 -0.00033416
-0.04225340 0.02467642 -0.00706788
-2.03010193 -11.06156823 -3.49667575
-0.00029900 -0.00015291 -0.00031318
0.00809527 0.00667012 0.01142721
1.22711248 -7.87702660 3.69480174
-0.00012136 -0.00056617 -0.00005385
-0.03561352 0.02490388 0.00232992
9.55579208 1.73778235 8.03226413
0.00013963 0.00028487 0.00020450
0.00130837 0.00482989 -0.00243615
-7.00724075 -9.53112214 -2.92275726
0.00025547 0.00016945 -0.00005201
-0.00685173 0.00196123 0.01040288
3.95231047 -12.61901395 -12.89414623
-0.00001209 0.00027476 -0.00012907
-0.02669036 0.00702662 -0.00986218
1.08973734 -4.65418217 -1.08989959
0.00018147 0.00001025 0.00021736
-0.00822370 0.01333209 -0.00350979
16.74776282 4.37152541 27.38680780
0.00030531 0.00012162 -0.00031144
0.01172188 0.04184621 -0.01042845
-9.60437067 6.32222509 -4.53998046
0.00006822 -0.00035446 0.00011372
-0.02694864 -0.02974294 0.01972498
-5.16807695 14.90198510 -9.01905307
0.00022579 0.00006269 -0.00033543
0.01116675 -0.00388735 0.00571794
3.10408330 12.18774096 -6.83331244
-0.00006881 0.00000194 0.00001812
0.01057817 -0.00161462 -0.00922625
-4.36972465 11.72778825 -13.75754901
0.00028194 0.00020866 -0.00004045
0.02291278 -0.00630583 -0.00816260
3.74454861 7.19707113 17.45864014
0.00033083 -0.00005110 -0.00007048
-0.00942146 -0.00142737 -0.02155426
-15.02661216 8.85145112 -8.99212380
-0.00035559 -0.00004141 -0.00035151
-0.05792046 -0.01116735 0.01016484
3.74601253 9.11434092 0.26587683
-0.00004684 0.00026819 0.00033201
-0.00468243 -0.00168106 0.00714074
15.63972003 -23.98256857 -26.61237561
0.00028411 -0.00006199 -0.00011968
0.01551848 -0.01550635 0.04386082
5.86916700 4.32144368 -0.01270502
-0.00023175 -0.00014598 0.00026451
0.04099879 0.00807844 0.02577681
16.95309281 -5.34485476 0.48458056
0.00018604 0.00010657 -0.00014532
0.00921925 -0.01368680 -0.01672491
-4.45480080 2.61364998 -2.82954720
-0.00027555 -0.00035377 0.00018491
-0.02713941 0.00488314 0.03571469
0.98216751 2.30202224 -11.98366806
-0.00001165 0.00017261 0.00032872
-0.00375238 -0.01011524 0.05065452
15.67103914 9.07300363 -7.51963424
-0.00018648 -0.00018320 0.00002848
0.01146186 -0.02520636 -0.00507056
-6.12422549 0.96351836 12.64159264
-0.00038342 -0.00006293 0.00038445
-0.02203810 0.02629398 0.02234794
-3.39845213 -16.24160385 12.53397017
-0.00022081 0.00012221 0.00051028
-0.00432550 -0.02051065 0.00629274
6.99544193 -7.06082459 -5.89951360
-0.00002592 0.00005889 -0.00015033
-0.00129455 0.00167147 0.00012468
-1.20578199 -11.53612275 1.74671026
0.00013876 0.00011540 -0.00023531
0.00832638 -0.01541956 -0.01689645
-16.44820198 -1.79887470 5.04657698
0.00025897 0.00006574 0.00023638
-0.02785299 -0.02100201 -0.01342319
-8.92425314 3.83605940 -21.70939150
-0.00030246 -0.00054134 -0.00048449
0.00402929 -0.00699644 -0.00769821
2.18155508 1.28561021 -1.34089533
-0.00003755 -0.00007890 0.00028773
0.01903420 -0.00345334 0.02359635
12.33838866 8.68752581 3.82232372
0.00009070 -0.00029859 0.00000582
-0.02075747 -0.03109862 0.00624164
-7.25175453 -4.33663858 2.24998722
0.00035411 0.00057057 0.00076159
-0.03861025 0.01133270 0.00990890
-9.77297775 -2.42666614 2.47577336
-0.00104716 -0.00193104 0.00069116
0.00029383 0.00644658 -0.01998245
-16.74970517 6.06515432 6.91602760
0.00067828 0.00007112 -0.00014037
0.01197891 0.01886557 0.00805463
-17.00565727 3.79675387 5.32850983
0.00011310 0.00014350 0.00020280
-0.01290629 0.00078739 0.00532170
-15.64527890 0.78462720 0.74637382
-0.00029251 0.00007170 0.00014451
-0.00683193 0.05141474 -0.00175103
-17.25774831 -1.48801640 -0.51585565
0.00006760 -0.00151578 0.00033477
0.03933193 0.02622209 0.03065637
2.05572958 -21.26041777 14.96913881
-0.00068976 -0.00007725 0.00012362
-0.02585365 0.00856035 -0.01602667
4.06827569 -18.91306174 15.72859750
0.00003989 0.00032089 0.00013839
-0.02259116 -0.00797243 -0.00567635
8.37270634 14.31151575 -1.16414729
0.00023562 0.00009861 -0.00074448
0.00453561 -0.01591281 0.00651321
7.85787916 16.90115061 0.17328219
-0.00081679 -0.00081055 0.00028576
-0.00580079 -0.01359858 -0.02056494
-8.63280829 9.01064844 12.41459593
0.00017025 0.00021574 0.00001517
-0.00207387 0.00538092 -0.01782687
-10.35327526 11.10992904 12.11830921
-0.00051485 0.00089726 -0.00043918
-0.00879214 0.00861882 -0.00750691
-9.55942904 0.18303577 -13.89852823
-0.00074910 -0.00006363 -0.00094997
-0.04206940 0.01634099 -0.00747082
-8.22466715 -2.04430384 -15.25662165
0.00001777 0.00025539 0.00112124
-0.00738511 -0.00713832 -0.01549501
-12.14669379 1.12832055 -6.71343707
-0.00015812 0.00034737 -0.00103741
-0.00256895 -0.01028203 -0.00144895
-10.42276285 3.41542981 -6.11661943
-0.00015136 0.00088899 0.00110339
0.00025704 0.00019659 -0.00964034
-1.83495945 -6.13733041 14.47372826
-0.00000356 0.00063790 -0.00001688
-0.02688395 -0.01257241 -0.00598413
-0.21655772 -5.81197418 16.92824908
-0.00007453 0.00001027 -0.00002986
-0.00082788 0.00546719 -0.02689556
-24.56634324 -0.38351949 -19.07888202
-0.00115556 -0.00044400 -0.00011301
-0.00572143 -0.00127552 -0.03143198
-25.61248623 1.19463982 -21.47709543
-0.00014762 -0.00000588 0.00026130
0.00628172 -0.02223083 0.00223226
9.64896633 8.50958421 6.57296374
-0.00084889 0.00108638 0.00033051
0.01770212 0.00722530 -0.01818300
10.04558521 7.62669646 9.26190190
0.00006472 -0.00036288 -0.00006427
0.00601060 0.01020909 0.00520012
19.77047221 27.41761578 -4.08577330
-0.00003503 -0.00007433 -0.00017061
-0.00526963 -0.00750154 0.00432105
20.06427251 30.50570759 -4.26827833
-0.00017941 0.00012800 -0.00018137
0.01500120 -0.02058485 -0.00280199
6.51349698 -0.37871010 -6.84449597
-0.00054674 0.00078396 0.00025141
-0.02023105 0.01358786 0.00167989
6.76611602 -3.23455397 -7.21613625
0.00057962 -0.00038847 -0.00013024
0.02094226 0.01980242 0.00075653
-8.67814325 -2.40547104 12.12411766
0.00088140 0.00019257 -0.00002566
0.01110063 0.02014853 -0.01917995
-10.93408125 -2.60038549 14.01969230
-0.00102823 -0.00059167 -0.00020833
0.02525517 -0.02514031 -0.02332247
-1.36966613 -24.51103259 14.36731008
-0.00080360 0.00080177 0.00106405
0.00844274 0.00757920 -0.00317526
-3.18187052 -22.40889057 13.37068191
0.00047635 0.00017304 0.00002233
0.00718784 0.00166285 0.00945712
-12.47188857 -7.88766696 -7.26021043
0.00143386 0.00096999 0.00002318
0.01469266 -0.01578826 -0.01721027
-10.29844418 -7.12551827 -9.30842984
0.00024470 0.00090438 -0.00100004
-0.02175448 -0.03252616 0.02865036
-16.02579673 -10.37279506 -15.17078857
-0.00037176 0.00035997 -0.00108724
-0.00269459 0.03114099 -0.01104423
-14.31050760 -8.07179225 -16.09236241
-0.00006699 -0.00000888 -0.00022228
0.00925500 0.00311362 0.00054527
16.67139618 12.55241640 5.32185542
0.00037048 0.00024375 -0.00002299
-0.00150375 -0.00308170 -0.00975868
17.31162449 13.96470689 2.97171229
0.00042534 0.00001696 -0.00031724
0.00824335 0.01992963 -0.01339370
18.86663327 -3.82347537 -15.21927909
-0.00110851 -0.00046883 0.00023953
-0.01243373 -0.00651266 0.00217350
21.51568619 -3.37791535 -15.35489785
0.00006474 -0.00006472 -0.00020396
0.03558302 0.03001301 -0.01001664
-1.97845185 7.27478909 -13.77600520
0.00090601 0.00000806 -0.00012354
-0.01505312 -0.00525032 0.01619882
0.10540029 6.66605718 -15.42307312
-0.00048916 0.00044937 -0.00043093
0.01402405 -0.00510284 -0.01402621
1.02317113 0.35525721 -15.30839413
0.00005995 0.00036613 -0.00057255
-0.00417960 -0.00151569 0.00073196
2.73856827 -1.17945086 -17.11134303
-0.00095491 0.00058931 -0.00064987
-0.02737435 0.00123820 0.01274739
12.01286508 22.98442852 -22.81111660
0.00110122 0.00084272 0.00048797
-0.02118050 -0.02782103 0.00152554
9.65122255 20.85977390 -23.22486673
0.00058787 0.00021717 0.00016893
0.02331830 0.01692757 0.00539256
-10.16317308 16.31174084 -16.95420172
0.00042226 -0.00008622 -0.00058218
-0.01655173 -0.01927189 0.01790444
-10.57454573 14.67839264 -14.27472468
-0.00085943 0.00032902 0.00058175
0.00277803 0.00624274 -0.01215838
2.55676985 18.28515725 11.08773947
0.00136254 0.00042029 0.00015805
0.03143227 -0.02138238 0.00981241
4.71954572 17.80548063 9.34855515
0.00004049 0.00016632 0.00022756
0.01036960 -0.00168156 -0.00689026
-3.77439158 -10.41784851 -3.48420019
0.00151078 -0.00016718 0.00120507
0.00799528 -0.00383780 0.01449932
-1.29400499 -11.04606740 -1.73203682
-0.00035094 -0.00011573 0.00035212
-0.02166738 0.00075536 -0.01746843
0.40195453 -6.63530078 4.80981447
-0.00033582 -0.00005164 0.00013328
-0.00314584 -0.01188577 -0.00699156
2.89404362 -7.80464463 4.25459821
-0.00016922 -0.00074657 0.00020710
0.04653815 -0.00524709 0.01476892
9.13283968 2.03703040 9.77764969
-0.00170569 0.00019289 -0.00043361
-0.00317271 -0.00103436 0.00147038
9.44173931 3.41851934 7.27869773
0.00025258 -0.00044405 0.00021023
0.00103085 -0.00079469 0.00409793
-7.65534755 -9.04846879 -4.56263162
-0.00105935 0.00025899 -0.00028131
-0.00854115 -0.00165185 0.00531656
-8.42014590 -10.22030287 -1.89409269
0.00060437 0.00045119 -0.00068060
0.01041996 0.00662162 -0.01669517
4.97110353 -13.81464596 -12.04218223
0.00011631 0.00011181 0.00041408
0.01588719 -0.01088587 0.01058670
2.26636209 -13.38692162 -13.06595000
-0.00017042 0.00010536 -0.00115704
0.00828616 0.00993929 -0.00365936
1.31425771 -6.08634699 -0.03115718
-0.00034150 0.00083932 -0.00022161
0.00933390 -0.01991582 0.00878425
-0.15134401 -3.76648935 -0.08172524
0.00015630 0.00016595 0.00011518
-0.00265343 0.00676544 -0.00718292
17.49413868 3.68091471 25.91398674
0.00019326 -0.00041100 -0.00048555
0.00618522 -0.00292235 -0.01227954
16.14723484 2.98157837 28.24760608
0.00084393 0.00087150 0.00049948
-0.01916946 -0.04029171 0.02584536
-11.12067600 7.25829372 -4.03548159
0.00081932 -0.00017863 -0.00058398
0.01499601 0.00795350 -0.00523513
-8.46489433 7.23234898 -5.60787748
-0.00074576 -0.00036589 -0.00016179
0.00648223 0.02355834 -0.00410267
-6.38043983 16.21079506 -9.32824631
-0.00004762 -0.00001510 0.00032630
-0.00609260 0.00500809 0.00303989
-4.76616974 14.17754826 -10.64314486
0.00013562 -0.00005897 -0.00030234
0.00144494 -0.00372154 -0.00746281
3.00770287 10.45208350 -6.28273330
-0.00006886 -0.00059580 0.00073573
-0.00264072 -0.00267510 0.00623664
1.57827871 13.08054475 -6.45368321
-0.00068116 0.00070646 -0.00060735
-0.01013313 0.00188636 0.00039735
-2.71790230 10.89658685 -14.35144862
0.00062611 0.00013876 0.00006594
-0.04360303 0.00951221 0.01391082
-5.75572866 10.52089220 -13.57552080
0.00030722 -0.00009972 0.00010110
0.01393718 -0.00104186 0.00168193
3.81754324 7.94741307 19.11278398
0.00022510 0.00027728 0.00002789
0.00708961 0.00380440 0.01329382
1.91039498 6.94507706 17.25253686
-0.00018130 0.00094196 -0.00016723
-0.00177591 -0.00566649 0.00294002
-13.37556352 8.68986329 -8.47288620
-0.00129169 -0.00022728 0.00037125
0.05133524 -0.00239621 0.00933031
-15.99406202 8.08349153 -7.57758271
0.00030064 -0.00004268 0.00028843
0.00658062 0.01162479 -0.01229809
5.14449534 10.20849389 0.63242663
0.00133583 0.00081469 -0.00109451
0.01766873 0.00285792 -0.00796760
2.65389109 9.37416339 1.69342924
-0.00166263 0.00003308 0.00088940
-0.01419728 -0.00477256 -0.00261116
14.16991675 -24.16460731 -25.51559843
0.00071365 0.00043933 0.00027673
-0.00459692 0.00239525 -0.00102642
15.00991553 -23.41024719 -28.14837007
-0.00022317 -0.00052547 -0.00081753
-0.01327328 0.01090748 -0.03529187
4.92766062 3.31070459 -1.10689262
-0.00040303 -0.00015268 -0.00027724
-0.02929815 -0.01015568 -0.01633210
4.98662137 5.90046380 0.24010725
-0.00054698 -0.00051468 -0.00026307
-0.00238250 0.00444731 -0.00063577
16.98855434 -3.85880059 -0.53137150
-0.00061555 -0.00041643 0.00028983
0.00952701 0.01917975 -0.00180957
16.78329725 -6.62278283 -0.84302723
0.00034856 0.00082928 0.00046829
-0.00922396 -0.00684240 0.00904893
-5.69620456 3.43995986 -1.55734233
-0.00111739 -0.00051370 0.00073078
0.02307537 -0.02810875 -0.03745281
-5.01911082 0.80306628 -3.19156366
-0.00012501 0.00039605 -0.00036321
0.00050754 0.03063264 0.00270973
2.53062248 2.87519811 -11.09644526
-0.00039613 -0.00000747 -0.00058280
-0.01901851 -0.00683258 -0.02102538
-0.02869917 1.50150594 -10.50256793
-0.00089975 0.00057613 0.00005752
0.02362870 0.01177888 -0.04045897
16.81858342 7.80679125 -8.42846933
-0.00097481 -0.00091507 0.00109333
-0.00526202 0.01139571 0.00765803
16.61229143 10.61398485 -7.45223961
-0.00102256 0.00054258 0.00085853
-0.00007688 0.00821109 -0.00103540
-6.31938725 0.52631321 10.92901291
-0.00070536 -0.00018153 0.00027677
0.00100378 -0.01295929 -0.03750692
-7.84554347 1.67464198 13.00682384
0.00081358 0.00025825 -0.00045600
0.01667501 -0.00838657 0.01136249
-2.22213841 -15.95336903 14.02105889
0.00040154 -0.00167754 -0.00049978
-0.01857928 -0.01770544 -0.01114002
-4.19360372 -17.99912697 12.55394073
-0.00037297 0.00156204 0.00005908
0.02225571 0.03374178 0.00795634
7.17769296 -6.48152481 -4.09872381
0.00012243 0.00038536 -0.00028677
-0.00185323 -0.00131809 -0.01552693
5.63491523 -8.35456484 -5.85402758
0.00010364 0.00052759 -0.00136258
0.00731784 0.00953498 -0.00151059
-2.84503238 -11.72765253 2.47049193
0.00024951 0.00032481 -0.00039055
-0.01525773 -0.00087602 0.00352516
-0.33798568 -10.37080898 2.85266886
0.00038190 -0.00031679 -0.00027851
0.00452267 0.01034576 0.00197800
-15.16653983 -0.92506944 5.90211412
0.00129670 0.00001043 -0.00048234
0.02124458 0.01692981 0.01460692
-16.17633478 -1.64403447 3.14328065
0.00008268 -0.00035557 -0.00053026
0.00575275 -0.00086285 0.02094441
-9.57259228 4.91750603 -23.02954525
-0.00021019 -0.00002799 -0.00043314
0.00061519 0.00589522 -0.00235585
-8.99542471 4.82302849 -20.17827442
-0.00000972 0.00002358 0.00038562
-0.00089448 0.00621686 0.00511810
2.04619897 1.48872645 -3.11511556
-0.00021229 0.00016645 -0.00096032
-0.01695728 -0.00604608 -0.01824176
0.73242694 0.75823287 -0.39392142
0.00086500 -0.00046993 -0.00060731
-0.01093725 -0.00007558 -0.01229411
13.66801503 9.80317890 4.14419083
0.00060981 0.00010080 -0.00085279
0.02358521 0.02206949 0.00026068
11.31082504 9.48239214 2.55996759
0.00077127 -0.00027100 0.00061803
-0.00657484 0.00712208 -0.01429132
5.48215669 -8.99731758 -10.67092480
-0.00005699 -0.00026603 0.00012943
-0.00014388 -0.00099896 0.00276924
-13.02207043 10.44277666 21.12696042
-0.00004954 -0.00004031 0.00014746
0.01092997 -0.00041481 -0.00116242
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06907529
0.32804476
437.10319278
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1885343429
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3918017588 (a.u.)
total exchange computation time: 3.4183659554 s
-154.2057462364
-931.39923692
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1885343429
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.3912091373 (a.u.)
total exchange computation time: 3.4221758842 s
-154.2114640338
Anderson extrapolation: theta=1.3494201838 (1.3494201838)
-931.39947602
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1885343429
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3902945662 (a.u.)
total exchange computation time: 3.4224660397 s
-154.2199984003
Anderson extrapolation: theta=0.0516605978 (0.0516605978)
-931.39961847
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1885343429
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3901573501 (a.u.)
total exchange computation time: 3.4199790955 s
-154.2211198918
Anderson extrapolation: theta=1.9623141799 (1.9623141799)
-931.39962380
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1885343429
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3898624022 (a.u.)
total exchange computation time: 3.4195590019 s
-154.2234521175
Anderson extrapolation: theta=0.2217548893 (0.2217548893)
-931.39962949
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1885343429
ExchangeOperator: bisection time: 1.789 s
total exchange = -52.3897903175 (a.u.)
total exchange computation time: 3.4194171429 s
-154.2239578054
Anderson extrapolation: theta=1.8787141778 (1.8787141778)
-931.39963059
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1885343429
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3896768293 (a.u.)
total exchange computation time: 3.4231381416 s
-154.2246866850
Anderson extrapolation: theta=0.2772710140 (0.2772710140)
-931.39963195
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1885343429
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3896676580 (a.u.)
total exchange computation time: 3.4187219143 s
-154.2246773607
Anderson extrapolation: theta=1.3075174023 (1.3075174023)
-931.39963229
239.291104 32.324975 245.857197
-141.021328 489.527625 -803.409294
98.269776 521.852600 -557.552098
769.968458
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1885343429
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.3896723173 (a.u.)
total exchange computation time: 3.4195108414 s
679.19113283
-1084.14748724
89.64183902
-388.83635088
-174.85909397
78.52385796
551.60419304
0.00000000
-931.39963257
-8.81818842 -3.73625219 3.27122397
0.00015282 -0.00026481 0.00012067
0.03151595 -0.02765676 0.02849162
-17.90789003 4.71279026 6.64511605
-0.00002338 -0.00045582 -0.00018308
0.00323564 -0.01058251 -0.01366146
-15.69204063 -0.96090122 0.58733146
0.00009930 0.00017158 0.00004379
-0.03475774 -0.07458810 -0.05214915
3.54106146 -20.68483782 15.75068194
-0.00032955 0.00000773 -0.00025705
0.04344876 0.00733086 0.02457927
7.36284565 15.83408212 -1.27902242
0.00022127 0.00021833 -0.00017667
0.00205251 0.02513782 0.02929577
-9.73964163 9.71152649 11.06084301
-0.00001077 -0.00020477 0.00019534
0.00481655 -0.01194036 0.01153813
-8.04382842 -0.69531303 -14.07854573
-0.00024970 0.00017987 -0.00030763
0.04813013 0.00117842 0.02025614
-10.80054135 2.11631310 -7.40809281
-0.00017811 0.00014046 0.00054095
0.01510373 0.02344318 0.00749857
-0.18248873 -5.73709666 15.03872733
-0.00006716 -0.00004917 0.00026473
0.02080644 0.00838736 0.03694779
-25.25649669 -0.53821655 -20.84776155
-0.00042625 -0.00013450 0.00019355
0.00844403 0.02176042 0.02270009
8.89884127 7.50697673 7.85006123
-0.00004017 0.00003876 0.00003035
-0.01896295 -0.02111077 0.00734096
20.76768057 28.76187812 -4.81641748
-0.00003358 0.00014105 -0.00014673
-0.00204160 0.01957120 -0.00955401
7.76890081 -1.61633652 -7.17372532
0.00003083 0.00000801 -0.00008601
-0.00533798 -0.03416237 -0.00156877
-9.55763646 -3.59805901 13.09211431
0.00033384 0.00015604 0.00049997
-0.03781310 0.00320707 0.03247641
-1.41646332 -22.72768948 13.85308138
0.00019596 -0.00009723 0.00005271
-0.00615537 -0.00506651 0.00184137
-11.08095796 -8.66135173 -8.39842156
-0.00013242 -0.00033794 0.00038500
0.00399078 0.05978059 -0.00966112
-16.01789002 -8.51889180 -15.58995205
0.00027032 -0.00010902 0.00012120
-0.01633965 -0.03138644 0.00966500
16.38371671 12.53599826 3.47372754
0.00038380 0.00024297 0.00012529
-0.00646039 -0.01665708 0.02612246
20.40813162 -4.62473651 -14.72600115
-0.00028612 0.00010158 0.00003225
-0.02542568 -0.02508766 0.00734258
-0.74675289 8.12570456 -14.78529956
0.00039888 0.00013111 -0.00020924
0.00260912 0.00527778 0.00330494
0.84518222 -0.91782915 -16.64251443
-0.00010762 0.00011796 -0.00034810
0.02829436 0.00951241 -0.00584640
11.50720771 21.14445955 -23.05263110
0.00019331 -0.00033250 -0.00018677
0.00932896 0.02209349 -0.00300738
-11.28892681 15.12075160 -15.91021013
0.00007869 0.00024641 -0.00046540
0.01785445 0.01318523 -0.00701194
4.27117444 17.44023623 11.06660551
0.00017839 0.00027118 -0.00033672
-0.03785090 0.02119543 -0.00289371
-2.03455569 -11.06383614 -3.50132945
-0.00029195 -0.00015033 -0.00030618
0.01931326 0.00336611 0.01580415
1.22515465 -7.88542308 3.69400295
-0.00013972 -0.00055274 -0.00005205
-0.03576535 0.02732677 0.00469335
9.55789162 1.74207400 8.03532225
0.00014044 0.00028622 0.00020344
0.00182595 0.00041208 -0.00167345
-7.00343509 -9.52857280 -2.92349725
0.00025197 0.00017119 -0.00004859
-0.00675778 0.00480587 0.00289778
3.95202623 -12.61486543 -12.89612033
-0.00002559 0.00027755 -0.00013379
-0.02581604 0.00380252 -0.00849304
1.09242762 -4.65397704 -1.08665276
0.00017688 0.00001885 0.00021448
-0.00960432 0.02011333 -0.00768227
16.75238770 4.37351111 27.38209599
0.00031185 0.00014348 -0.00031787
0.01369998 0.04317825 -0.01456979
-9.60345129 6.31679348 -4.53819853
0.00005501 -0.00037043 0.00012384
-0.02443841 -0.03238330 0.01960366
-5.16464702 14.90291040 -9.02406245
0.00023150 0.00006071 -0.00033240
0.01104681 -0.00378493 0.00604374
3.10309192 12.18776391 -6.83307622
-0.00006462 0.00000050 0.00001406
0.00570520 -0.00399555 -0.00654917
-4.36540724 11.73089383 -13.75818729
0.00029370 0.00020508 -0.00004468
0.02283576 -0.00761225 -0.00828197
3.74947475 7.19629911 17.45749974
0.00032533 -0.00005163 -0.00008119
-0.01197464 -0.00063664 -0.02008026
-15.03216949 8.85078686 -8.99735732
-0.00038661 -0.00004725 -0.00034627
-0.06269295 -0.01154106 0.01021705
3.74529184 9.11835728 0.27088448
-0.00004932 0.00026858 0.00033761
-0.00497266 0.00319797 0.01464163
15.64404150 -23.98355819 -26.61400162
0.00029178 -0.00006933 -0.00009888
0.01430116 -0.01306337 0.03700283
5.86584894 4.31928521 -0.00863790
-0.00021125 -0.00014284 0.00027688
0.03872509 0.00411455 0.02231757
16.95591895 -5.34330905 0.48233623
0.00019096 0.00009956 -0.00015201
0.00992096 -0.01356442 -0.00928569
-4.45903873 2.60836223 -2.82663576
-0.00028978 -0.00035003 0.00020394
-0.02818546 0.00965677 0.03828489
0.98197821 2.30457244 -11.97854184
-0.00001500 0.00016702 0.00035385
-0.00925599 -0.01164413 0.04704711
15.66828614 9.07015841 -7.51922655
-0.00018118 -0.00019550 0.00002641
0.00916931 -0.02263108 -0.00298452
-6.13006173 0.96267577 12.64744556
-0.00039332 -0.00005023 0.00039484
-0.01648736 0.02310714 0.01805442
-3.40178093 -16.23984980 12.54164860
-0.00022284 0.00011278 0.00051279
-0.00357847 -0.01617382 0.00345978
6.99504819 -7.05993472 -5.90176809
-0.00002593 0.00006046 -0.00015048
0.00124455 0.00442322 -0.00070065
-1.20366844 -11.53445123 1.74311547
0.00014311 0.00010721 -0.00024443
0.00859451 -0.01644276 -0.01856676
-16.44442487 -1.79796967 5.05007090
0.00024555 0.00005551 0.00022930
-0.02433834 -0.01877197 -0.01412234
-8.92877445 3.82791228 -21.71668853
-0.00030056 -0.00054359 -0.00048713
0.00334363 -0.00176170 -0.00257602
2.18106526 1.28441340 -1.33648833
-0.00002627 -0.00007965 0.00029576
0.02481475 0.00051926 0.00761930
12.33966902 8.68292696 3.82243504
0.00008203 -0.00031423 0.00001029
-0.01294761 -0.02969187 0.01114446
-7.24762597 -4.32773278 2.26171466
0.00019773 0.00061577 0.00079940
-0.03793868 0.01079261 0.00860244
-9.78867615 -2.45543413 2.48552840
-0.00105243 -0.00189464 0.00060270
-0.00287498 0.01136713 -0.02331851
-16.73916392 6.06679920 6.91416893
0.00071718 0.00013734 -0.00010899
0.00706371 0.01355038 0.00730533
-17.00435629 3.79893056 5.33171492
0.00006374 0.00014179 0.00021841
-0.01125380 -0.00162574 0.00232057
-15.64987594 0.78727825 0.74848775
-0.00032212 0.00028202 0.00013665
-0.00766013 0.05153571 -0.00209289
-17.25552913 -1.50994954 -0.50989464
0.00022999 -0.00140520 0.00046040
0.04015942 0.02790410 0.03083870
2.04459102 -21.26131415 14.97050204
-0.00079263 -0.00004084 0.00005935
-0.02450625 0.00925863 -0.01543448
4.06818185 -18.90849272 15.73049943
-0.00005448 0.00028364 0.00011511
-0.02360458 -0.01026179 -0.00571976
8.37637963 14.31250733 -1.17511490
0.00025322 0.00003495 -0.00071759
0.00408069 -0.01525063 0.00665027
7.84544952 16.88857564 0.17693841
-0.00083786 -0.00086179 0.00020708
-0.00451166 -0.01148128 -0.01794756
-8.63031811 9.01404937 12.41427713
0.00016202 0.00023797 -0.00005517
-0.00195350 0.00550043 -0.01660348
-10.36126743 11.12365201 12.11149149
-0.00054693 0.00092367 -0.00047326
-0.00691337 0.00430849 -0.00917379
-9.57195473 0.18258204 -13.91300663
-0.00091579 0.00000078 -0.00098019
-0.03952258 0.01518833 -0.00732610
-8.22462696 -2.04069170 -15.24027786
-0.00001338 0.00021297 0.00104715
-0.00786240 -0.01362670 -0.02077186
-12.14914433 1.13321607 -6.72904267
-0.00017708 0.00030006 -0.00103759
-0.00671188 -0.01287602 0.00136467
-10.42502530 3.42877069 -6.10036396
-0.00015356 0.00088100 0.00105689
-0.00133566 -0.00410559 -0.01312105
-1.83583663 -6.12814718 14.47329170
-0.00011450 0.00058621 -0.00004159
-0.02742307 -0.01273083 -0.00611304
-0.21770107 -5.81165262 16.92697699
-0.00007830 0.00003228 -0.00013577
-0.00101671 0.00530717 -0.02494511
-24.58385202 -0.39021865 -19.08154040
-0.00117614 -0.00044850 -0.00023500
-0.00435271 -0.00092623 -0.02828287
-25.61450804 1.19387042 -21.47310753
-0.00012190 -0.00009705 0.00027003
0.00630776 -0.02239916 0.00203934
9.63677539 8.52610129 6.57736421
-0.00077729 0.00111498 0.00025817
0.01734818 0.00677650 -0.01722602
10.04674017 7.62156609 9.26109714
0.00008970 -0.00032079 -0.00004308
0.00621926 0.01039421 0.00517647
19.76978524 27.41627093 -4.08820010
-0.00005510 -0.00010279 -0.00015358
-0.00455378 -0.00643106 0.00401886
20.06204102 30.50699685 -4.27108480
-0.00011852 0.00004373 -0.00019310
0.01480663 -0.02066966 -0.00293652
6.50467591 -0.36653439 -6.84067339
-0.00061790 0.00082576 0.00025506
-0.01459914 0.00687710 0.00011035
6.77545209 -3.23977419 -7.21806665
0.00066351 -0.00030635 -0.00012677
0.02012036 0.02039279 0.00094359
-8.66458210 -2.40196507 12.12314499
0.00091927 0.00026782 -0.00009667
0.00743858 0.01668616 -0.01557663
-10.94873082 -2.61003091 14.01585271
-0.00092250 -0.00069254 -0.00030430
0.02650273 -0.02423506 -0.02365800
-1.38146139 -24.49877374 14.38317348
-0.00076799 0.00082470 0.00105306
0.00898780 0.00364483 -0.00220262
-3.17450497 -22.40624406 13.37130670
0.00050275 0.00018097 0.00006016
0.00573305 0.00222053 0.00905869
-12.44993048 -7.87360084 -7.26039005
0.00148730 0.00090548 -0.00004300
0.01146803 -0.01579445 -0.01518622
-10.29544033 -7.11294932 -9.32255257
0.00015080 0.00075923 -0.00087545
-0.02420813 -0.03852563 0.03233899
-16.03145566 -10.36644123 -15.18743563
-0.00038201 0.00047846 -0.00112942
-0.00232494 0.02686044 -0.00960045
-14.31122883 -8.07183005 -16.09567995
-0.00002682 0.00000417 -0.00022093
0.01040985 0.00327284 0.00011950
16.67690725 12.55597822 5.32121161
0.00036491 0.00023156 -0.00006088
-0.00122083 -0.00288690 -0.00879312
17.31825725 13.96557203 2.96654320
0.00045878 0.00009816 -0.00037148
0.00812572 0.01981697 -0.01315301
18.84962465 -3.83070746 -15.21561955
-0.00115137 -0.00049723 0.00024960
-0.00854659 -0.00738631 0.00275721
21.51774759 -3.37796650 -15.35826423
0.00020471 0.00005531 -0.00024370
0.03293429 0.02874262 -0.00943715
-1.96532300 7.27474917 -13.77736185
0.00084159 -0.00001394 -0.00005481
-0.01648143 -0.00552235 0.01744445
0.09849267 6.67264138 -15.42996686
-0.00042657 0.00042115 -0.00049272
0.01661291 -0.00871347 -0.01622193
1.02394232 0.36070278 -15.31695993
0.00004251 0.00035944 -0.00056964
-0.00435742 -0.00176158 0.00069018
2.72340585 -1.17057330 -17.12070040
-0.00106075 0.00059298 -0.00059927
-0.02443847 0.00055856 0.01201838
12.02873431 22.99621686 -22.80375024
0.00101049 0.00071591 0.00049262
-0.02323278 -0.03425640 0.00074945
9.66075515 20.86355014 -23.22216749
0.00067643 0.00028512 0.00018983
0.02003135 0.01633386 0.00483473
-10.15734633 16.30985699 -16.96238575
0.00035544 -0.00016430 -0.00050841
-0.01615635 -0.01895001 0.01820510
-10.58735200 14.68351919 -14.26637105
-0.00085022 0.00035690 0.00052429
0.00172998 0.00740486 -0.01596732
2.57817110 18.29080636 11.09041096
0.00147943 0.00033814 0.00019852
0.02578758 -0.01883123 0.00999646
4.72047089 17.80792396 9.35175745
0.00008556 0.00016115 0.00019045
0.01168930 -0.00085119 -0.01127470
-3.75148487 -10.42047388 -3.46567988
0.00152060 -0.00017474 0.00126090
-0.00318859 0.00014121 0.01283007
-1.29993304 -11.04778025 -1.72729033
-0.00043881 -0.00011368 0.00027500
-0.02134498 0.00024876 -0.02027971
0.39682078 -6.63643959 4.81159950
-0.00034576 -0.00010473 0.00010119
-0.00171746 -0.01410073 -0.00871876
2.89293139 -7.81600393 4.25815726
0.00001820 -0.00076776 0.00026694
0.04520471 -0.00512536 0.01452353
9.10715712 2.03989208 9.77119063
-0.00171887 0.00018859 -0.00042485
-0.00328072 -0.00107371 0.00281462
9.44555960 3.41183427 7.28197676
0.00025632 -0.00043841 0.00022230
0.00079878 0.00355550 0.00181262
-7.67149947 -9.04463449 -4.56668831
-0.00108826 0.00025000 -0.00025059
-0.00561055 -0.00274845 0.00971895
-8.41076106 -10.21333211 -1.90481334
0.00064046 0.00047453 -0.00074184
0.00724538 0.00480132 -0.01327845
4.97333496 -13.81330245 -12.03564665
0.00017553 0.00007280 0.00045307
0.01310205 -0.00820630 0.00850089
2.26405975 -13.38503671 -13.08341769
-0.00013275 0.00014699 -0.00117069
0.01015280 0.01043850 -0.00302577
1.30942126 -6.07436752 -0.03421223
-0.00030063 0.00074377 -0.00017633
0.01067102 -0.02685275 0.01338323
-0.14908076 -3.76379272 -0.08021762
0.00014568 0.00019394 0.00008508
-0.00254535 0.00693201 -0.00754990
17.49722705 3.67466020 25.90632714
0.00021575 -0.00042132 -0.00053033
0.00482630 -0.00213277 -0.00963625
16.15930630 2.99341617 28.25589028
0.00076429 0.00070256 0.00060802
-0.01981447 -0.04240572 0.02728587
-11.10792665 7.25585793 -4.04440172
0.00087096 -0.00014215 -0.00060164
0.01028293 0.00990664 -0.00340841
-8.47588209 7.22758260 -5.61043005
-0.00071481 -0.00026808 -0.00018192
0.00866787 0.02431891 -0.00575184
-6.38134081 16.21072208 -9.32325867
-0.00007188 0.00000446 0.00033805
-0.00578294 0.00456455 0.00271165
-4.76409115 14.17654972 -10.64790858
0.00014095 -0.00007348 -0.00033280
0.00116538 -0.00338357 -0.00744860
3.00658908 10.44306459 -6.27150626
-0.00007939 -0.00059486 0.00075748
-0.00251578 0.00313127 0.00441093
1.56775074 13.09119939 -6.46278122
-0.00071243 0.00070765 -0.00060801
-0.00516988 -0.00130328 -0.00072203
-2.70984683 10.89895975 -14.35003331
0.00044610 0.00017858 0.00012324
-0.04451383 0.00998169 0.01413876
-5.75069332 10.51936447 -13.57395280
0.00036597 -0.00010214 0.00010769
0.01482220 -0.00014123 0.00154656
3.82113701 7.95168885 19.11360973
0.00025419 0.00029127 0.00007955
0.00714898 0.00304606 0.01199220
1.90762110 6.95903278 17.25011845
-0.00018400 0.00091837 -0.00015483
0.00045197 -0.00588026 0.00313104
-13.39336585 8.68638059 -8.46703153
-0.00106924 -0.00023711 0.00041131
0.05755577 -0.00241537 0.01027991
-15.98935081 8.08320752 -7.57363304
0.00032470 0.00000557 0.00023627
0.00519940 0.01199490 -0.01323831
5.16507424 10.22080180 0.61576475
0.00139158 0.00081594 -0.00112668
0.00962017 -0.00224704 -0.00777591
2.62851655 9.37451332 1.70669017
-0.00170316 0.00001334 0.00086206
-0.00564058 -0.00489036 -0.01076800
14.18048060 -24.15794395 -25.51147901
0.00069235 0.00044880 0.00027318
-0.00582636 0.00223914 -0.00070922
15.00616130 -23.41779498 -28.16171447
-0.00027305 -0.00048600 -0.00094857
-0.01114357 0.00841329 -0.02885376
4.92071743 3.30810323 -1.11155164
-0.00051680 -0.00018954 -0.00033787
-0.02639521 -0.00788819 -0.01334890
4.97834369 5.89287982 0.23614177
-0.00055781 -0.00049267 -0.00026423
-0.00291903 0.00632727 0.00006645
16.97961303 -3.86445932 -0.52707951
-0.00057649 -0.00032797 0.00027640
0.00959440 0.02412027 -0.00476534
16.78824295 -6.61055330 -0.83572562
0.00030975 0.00079116 0.00049584
-0.00977312 -0.01181647 0.00443904
-5.71225826 3.43139297 -1.54752836
-0.00101867 -0.00063053 0.00057353
0.02524883 -0.02907848 -0.03951857
-5.02097037 0.80994571 -3.19692882
-0.00012479 0.00051404 -0.00035309
-0.00040069 0.02712301 0.00224729
2.52409768 2.87487666 -11.10583153
-0.00046506 -0.00003239 -0.00066201
-0.01472069 -0.00536417 -0.01775037
-0.04147132 1.51050881 -10.50294496
-0.00080024 0.00062462 -0.00010748
0.02507846 0.01196021 -0.04030671
16.80380007 7.79341437 -8.41183474
-0.00099083 -0.00086695 0.00112247
-0.00258315 0.01216258 0.00660863
16.59695065 10.62237519 -7.43939333
-0.00102303 0.00057055 0.00085288
-0.00015185 0.00547971 -0.00173056
-6.32993684 0.52319317 10.93201510
-0.00069984 -0.00023370 0.00012760
0.00169759 -0.01258104 -0.03551077
-7.83282887 1.67825881 13.00033202
0.00086913 0.00022930 -0.00040553
0.01052108 -0.00578549 0.01334070
-2.21668469 -15.97907471 14.01322089
0.00032900 -0.00174580 -0.00053999
-0.01692713 -0.01570749 -0.00854641
-4.19851621 -17.97466239 12.55507076
-0.00028696 0.00168635 0.00009098
0.01984300 0.02710862 0.00765791
7.17947256 -6.47578487 -4.10350120
0.00011305 0.00037872 -0.00035023
-0.00273864 -0.00192836 -0.01553381
5.63669403 -8.34635886 -5.87451261
0.00012930 0.00056280 -0.00136598
0.00524569 0.00770150 -0.00015377
-2.84175729 -11.72280723 2.46474166
0.00018482 0.00032093 -0.00037481
-0.01640978 -0.00102087 0.00417891
-0.33211866 -10.37524383 2.84855178
0.00040139 -0.00027224 -0.00026874
0.00502158 0.01146187 0.00280588
-15.14643830 -0.92439415 5.89532665
0.00137727 0.00007516 -0.00042706
0.01819170 0.01475262 0.01245321
-16.17491828 -1.64939449 3.13596858
0.00010563 -0.00035887 -0.00043898
0.00548331 -0.00075064 0.02373805
-9.57572631 4.91726676 -23.03611454
-0.00020657 -0.00000605 -0.00044017
0.00115726 0.00484461 -0.00108557
-8.99559787 4.82357266 -20.17233321
-0.00001294 0.00004047 0.00039337
-0.00068507 0.00205329 -0.00132684
2.04249506 1.49103792 -3.13007940
-0.00027868 0.00013910 -0.00101261
-0.01554460 -0.00734037 -0.00735485
0.74506675 0.75118158 -0.40340774
0.00080543 -0.00047554 -0.00064760
-0.01822044 -0.00266957 -0.00742992
13.67788497 9.80536722 4.13140695
0.00069906 0.00018353 -0.00085283
0.02010343 0.01842695 -0.00028197
11.32219265 9.47854539 2.56880015
0.00073601 -0.00023737 0.00055065
-0.01068659 0.00934130 -0.01869206
5.48130146 -9.00131067 -10.66897593
-0.00005706 -0.00026636 0.00013040
-0.00023360 -0.00083539 0.00263515
-13.02279453 10.44217124 21.12917030
-0.00004703 -0.00004040 0.00014718
0.01071847 -0.00029919 -0.00126052
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06928008
0.33035249
440.17813308
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1885343429
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.3937517843 (a.u.)
total exchange computation time: 3.4187748432 s
-154.2118073215
-931.40120395
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1885343429
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3931795930 (a.u.)
total exchange computation time: 3.4222960472 s
-154.2174032011
Anderson extrapolation: theta=1.3497488942 (1.3497488942)
-931.40143859
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1885343429
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3923048378 (a.u.)
total exchange computation time: 3.4199390411 s
-154.2257345703
Anderson extrapolation: theta=0.0517855299 (0.0517855299)
-931.40157840
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1885343429
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3921802131 (a.u.)
total exchange computation time: 3.4187319279 s
-154.2268115203
Anderson extrapolation: theta=1.9601395050 (1.9601395050)
-931.40158359
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1885343429
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3919163045 (a.u.)
total exchange computation time: 3.4205198288 s
-154.2290368732
Anderson extrapolation: theta=0.2216908492 (0.2216908492)
-931.40158905
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1885343429
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3918555453 (a.u.)
total exchange computation time: 3.4201719761 s
-154.2295075796
Anderson extrapolation: theta=1.8814635262 (1.8814635262)
-931.40159006
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1885343429
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.3917644952 (a.u.)
total exchange computation time: 3.4202890396 s
-154.2301718651
Anderson extrapolation: theta=0.2787440291 (0.2787440291)
-931.40159123
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1885343429
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3917619585 (a.u.)
total exchange computation time: 3.4186160564 s
-154.2301476442
Anderson extrapolation: theta=1.3072625258 (1.3072625258)
-931.40159149
239.295916 32.414475 201.481631
-141.032962 489.573309 -803.453930
98.262953 521.987783 -601.972299
802.806018
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1885343429
ExchangeOperator: bisection time: 1.789 s
total exchange = -52.3917749712 (a.u.)
total exchange computation time: 3.4215478897 s
679.22501166
-1084.20745700
89.63418124
-388.79710563
-174.86444694
78.55586625
551.60419304
0.00000000
-931.40159164
-8.81577460 -3.74033095 3.27314388
0.00016941 -0.00027985 0.00013642
0.03301481 -0.03083186 0.03275151
-17.90822830 4.70591207 6.64231722
-0.00002090 -0.00045922 -0.00018902
0.00643365 -0.00260964 -0.00943887
-15.69068527 -0.95861518 0.58778717
0.00008159 0.00013342 0.00001724
-0.03408125 -0.07383381 -0.05109131
3.53628587 -20.68469353 15.74692107
-0.00030759 0.00001173 -0.00024466
0.04191487 0.00820181 0.02359804
7.36617260 15.83745410 -1.28155941
0.00022217 0.00023032 -0.00016247
0.00144842 0.02148590 0.02589522
-9.73978460 9.70840890 11.06381763
-0.00000895 -0.00020985 0.00020129
0.00226974 -0.00782194 0.01159250
-8.04738826 -0.69261041 -14.08308204
-0.00022587 0.00018258 -0.00029585
0.04455275 0.00935991 0.02554784
-10.80315479 2.11851037 -7.39994963
-0.00016899 0.00015410 0.00054493
0.02037878 0.02959618 0.00798140
-0.18341589 -5.73780182 15.04284079
-0.00005654 -0.00004492 0.00028299
0.02049865 0.00813335 0.03404251
-25.26285792 -0.54015009 -20.84477075
-0.00042233 -0.00012352 0.00020426
0.00681871 0.02091990 0.01893433
8.89816563 7.50747677 7.85054486
-0.00004974 0.00002812 0.00003379
-0.01828155 -0.02026648 0.00601625
20.76716905 28.76406937 -4.81865522
-0.00003474 0.00015060 -0.00015145
-0.00247524 0.01754778 -0.00882874
7.76934260 -1.61634822 -7.17502158
0.00002690 -0.00000788 -0.00008649
-0.00992255 -0.02762714 -0.00026752
-9.55277466 -3.59570605 13.09973919
0.00031520 0.00015833 0.00051561
-0.03467167 0.00571985 0.02833120
-1.41354761 -22.72916743 13.85387907
0.00019302 -0.00009890 0.00005349
-0.00529190 -0.00144618 0.00118907
-11.08292880 -8.66619024 -8.39268378
-0.00012891 -0.00030602 0.00037860
0.00965831 0.06432985 -0.01524486
-16.01389829 -8.52064819 -15.58809683
0.00026165 -0.00012381 0.00012587
-0.01737262 -0.02613849 0.00850208
16.38944876 12.53957856 3.47570760
0.00038050 0.00023455 0.00013825
-0.00635755 -0.01607553 0.02430449
20.40374168 -4.62330960 -14.72548908
-0.00029925 0.00008950 0.00003554
-0.02559892 -0.02187680 0.00546495
-0.74075961 8.12769162 -14.78842535
0.00039985 0.00013462 -0.00020725
0.00115070 0.00833929 0.00441732
0.84367705 -0.91602301 -16.64775848
-0.00009396 0.00012306 -0.00035081
0.02482497 0.01030739 -0.00469979
11.51014330 21.13955727 -23.05544421
0.00019955 -0.00031963 -0.00018793
0.01495020 0.02796306 -0.00149551
-11.28767758 15.12449867 -15.91721816
0.00008790 0.00025272 -0.00046808
0.01797559 0.01133126 -0.00340794
4.27370435 17.44438574 11.06154348
0.00016038 0.00028103 -0.00033723
-0.03218991 0.01710830 0.00091936
-2.03886045 -11.06607808 -3.50586121
-0.00027904 -0.00014953 -0.00029714
0.03087793 -0.00026935 0.01934232
1.22292090 -7.89360873 3.69324036
-0.00015763 -0.00053814 -0.00004895
-0.03388988 0.02942325 0.00735256
9.56000525 1.74636883 8.03836745
0.00014150 0.00028527 0.00020289
0.00228331 -0.00407390 -0.00049835
-6.99968156 -9.52598638 -2.92421488
0.00024864 0.00017443 -0.00004904
-0.00619524 0.00776901 -0.00464169
3.95154283 -12.61068759 -12.89815994
-0.00003846 0.00027863 -0.00013773
-0.02422911 0.00040826 -0.00682403
1.09504381 -4.65361674 -1.08346519
0.00017164 0.00003076 0.00020956
-0.01078321 0.02620395 -0.01145320
16.75711828 4.37582993 27.37727178
0.00031919 0.00016547 -0.00032614
0.01486359 0.04230613 -0.01759505
-9.60272045 6.31111205 -4.53626537
0.00004330 -0.00038767 0.00013372
-0.02109176 -0.03465095 0.01884941
-5.16113187 14.90380650 -9.02902521
0.00023712 0.00005882 -0.00032928
0.01078310 -0.00359271 0.00611567
3.10214456 12.18775603 -6.83289052
-0.00006293 -0.00000210 0.00001135
0.00086725 -0.00610647 -0.00398824
-4.36091366 11.73394068 -13.75888946
0.00030525 0.00020095 -0.00004890
0.02209481 -0.00845270 -0.00810750
3.75430851 7.19552217 17.45620444
0.00031853 -0.00005170 -0.00009104
-0.01445193 0.00037652 -0.01821138
-15.03821047 8.85003356 -9.00251201
-0.00041931 -0.00005328 -0.00034093
-0.06445053 -0.01188595 0.01057383
3.74453279 9.12239832 0.27600508
-0.00005187 0.00027138 0.00034680
-0.00491683 0.00768235 0.02109392
15.64847329 -23.98464860 -26.61534216
0.00029869 -0.00007536 -0.00008187
0.01256847 -0.01035731 0.02916383
5.86282963 4.31715847 -0.00439860
-0.00019208 -0.00014184 0.00028731
0.03580466 -0.00023666 0.01822814
16.95882163 -5.34186799 0.48002026
0.00019626 0.00009279 -0.00015491
0.01068087 -0.01276474 -0.00200484
-4.46349412 2.60314898 -2.82342897
-0.00030432 -0.00034383 0.00022414
-0.02838154 0.01447869 0.04027949
0.98171751 2.30703281 -11.97305266
-0.00002125 0.00016065 0.00037683
-0.01505878 -0.01312692 0.04232631
15.66560389 9.06713860 -7.51884189
-0.00017707 -0.00020634 0.00002544
0.00681070 -0.01951944 -0.00077811
-6.13602517 0.96201144 12.65343776
-0.00040022 -0.00003936 0.00040268
-0.01034256 0.01915034 0.01244656
-3.40513734 -16.23822053 12.54935372
-0.00022438 0.00010588 0.00051380
-0.00241795 -0.01065259 0.00046848
6.99466405 -7.05901072 -5.90402798
-0.00002460 0.00006344 -0.00015112
0.00393252 0.00716495 -0.00179080
-1.20148859 -11.53290656 1.73937745
0.00014750 0.00009853 -0.00025429
0.00847188 -0.01731628 -0.01977023
-16.44083552 -1.79720947 5.05345586
0.00023415 0.00004655 0.00022211
-0.01997012 -0.01604229 -0.01382191
-8.93326996 3.81975157 -21.72400543
-0.00029901 -0.00054319 -0.00048723
0.00268149 0.00331575 0.00217893
2.18076687 1.28322061 -1.33202256
-0.00001205 -0.00007834 0.00029570
0.03048014 0.00457967 -0.00784921
12.34084950 8.67809904 3.82263234
0.00007747 -0.00032892 0.00001720
-0.00476045 -0.02745542 0.01574686
-7.24582253 -4.31816554 2.27396930
0.00004544 0.00065837 0.00083124
-0.03661189 0.01006101 0.00698399
-9.80455075 -2.48350547 2.49385433
-0.00106997 -0.00183978 0.00050150
-0.00571159 0.01548827 -0.02621741
-16.72818975 6.06927453 6.91275798
0.00073580 0.00018153 -0.00008080
0.00205067 0.00808269 0.00649013
-17.00374502 3.80100762 5.33506224
0.00002161 0.00013000 0.00022126
-0.00936841 -0.00414550 -0.00092656
-15.65494245 0.79308773 0.75047341
-0.00035510 0.00048794 0.00012709
-0.00848562 0.04926518 -0.00258963
-17.25084873 -1.53017254 -0.50204364
0.00039411 -0.00128858 0.00058554
0.04018063 0.02918221 0.03041976
2.03195056 -21.26164311 14.97091936
-0.00088815 -0.00000110 -0.00000149
-0.02224755 0.01019532 -0.01434987
4.06664137 -18.90455261 15.73205082
-0.00015247 0.00023819 0.00009171
-0.02436489 -0.01198495 -0.00573740
8.38030300 14.31256426 -1.18567493
0.00026833 -0.00002507 -0.00069022
0.00331509 -0.01412869 0.00674721
7.83274338 16.87529703 0.17949469
-0.00085340 -0.00090358 0.00014042
-0.00309789 -0.00897646 -0.01468701
-8.62794764 9.01778740 12.41294077
0.00015476 0.00026036 -0.00011990
-0.00159897 0.00546375 -0.01508227
-10.36968329 11.13763902 12.10411155
-0.00057127 0.00093242 -0.00051392
-0.00499758 -0.00002226 -0.01073097
-9.58690261 0.18305916 -13.92793402
-0.00106914 0.00005895 -0.00101002
-0.03554469 0.01328506 -0.00727204
-8.22506863 -2.03791469 -15.22520711
-0.00004623 0.00014474 0.00095246
-0.00821640 -0.01977105 -0.02557976
-12.15200622 1.13732247 -6.74456463
-0.00021241 0.00024261 -0.00102679
-0.01057939 -0.01524970 0.00391794
-10.42736961 3.44185996 -6.08491262
-0.00016206 0.00085627 0.00099708
-0.00282677 -0.00800011 -0.01615580
-1.83839448 -6.11974417 14.47248049
-0.00022532 0.00053446 -0.00006607
-0.02682177 -0.01260146 -0.00587049
-0.21890674 -5.81100581 16.92417611
-0.00008285 0.00005357 -0.00023204
-0.00120986 0.00511666 -0.02218042
-24.60162757 -0.39697457 -19.08593212
-0.00119062 -0.00045149 -0.00034238
-0.00273249 -0.00053476 -0.02427725
-25.61614327 1.19172825 -21.46899464
-0.00009633 -0.00018776 0.00027762
0.00620915 -0.02200321 0.00167874
9.62564766 8.54303368 6.58070897
-0.00070796 0.00114049 0.00019118
0.01659116 0.00570799 -0.01556822
10.04827628 7.61707274 9.26060962
0.00011514 -0.00027801 -0.00002243
0.00623461 0.01054546 0.00493184
19.76881919 27.41453195 -4.09038060
-0.00007188 -0.00012635 -0.00013803
-0.00366180 -0.00510163 0.00359292
20.06071698 30.50701934 -4.27407125
-0.00005881 -0.00004021 -0.00020516
0.01441993 -0.02041868 -0.00296749
6.49496011 -0.35393720 -6.83684404
-0.00066599 0.00084006 0.00025225
-0.00894098 0.00012296 -0.00148859
6.78602125 -3.24374461 -7.21993923
0.00074324 -0.00022310 -0.00012255
0.01890672 0.02036277 0.00111925
-8.65056506 -2.39743646 12.12121769
0.00094133 0.00032784 -0.00015207
0.00335737 0.01269463 -0.01154432
-10.96175615 -2.62116160 14.01056321
-0.00081292 -0.00078876 -0.00040072
0.02713623 -0.02286853 -0.02353712
-1.39270584 -24.48629150 14.39890189
-0.00073037 0.00083131 0.00104633
0.00942941 -0.00040888 -0.00109211
-3.16678806 -22.40346146 13.37248666
0.00052274 0.00019126 0.00009618
0.00405417 0.00281728 0.00857198
-12.42726956 -7.86050270 -7.26150038
0.00152686 0.00084163 -0.00010011
0.00789750 -0.01545606 -0.01277263
-10.29392010 -7.10274146 -9.33469337
0.00004850 0.00059245 -0.00073749
-0.02587158 -0.04311349 0.03519426
-16.03725708 -10.35844123 -15.20467107
-0.00039087 0.00057748 -0.00116544
-0.00201208 0.02160826 -0.00803245
-14.31131208 -8.07166726 -16.09899017
0.00001727 0.00001769 -0.00022112
0.01117228 0.00334555 -0.00021439
16.68234350 12.55936311 5.32002889
0.00036064 0.00022026 -0.00009427
-0.00087058 -0.00264427 -0.00754770
17.32538800 13.96765167 2.96056801
0.00049066 0.00017729 -0.00042408
0.00747907 0.01891945 -0.01259473
18.83209225 -3.83839223 -15.21179104
-0.00117805 -0.00052903 0.00026203
-0.00451355 -0.00818084 0.00332675
21.52182741 -3.37625612 -15.36220898
0.00033156 0.00016797 -0.00027990
0.02916054 0.02640668 -0.00828106
-1.95320424 7.27437081 -13.77764940
0.00077269 -0.00003644 0.00001796
-0.01724268 -0.00549137 0.01817528
0.09260319 6.67869156 -15.43785478
-0.00035431 0.00037916 -0.00056291
0.01875839 -0.01184102 -0.01813726
1.02444647 0.36604038 -15.32548343
0.00002432 0.00035181 -0.00056684
-0.00454533 -0.00197176 0.00068168
2.70674570 -1.16166151 -17.12932120
-0.00115316 0.00059368 -0.00055224
-0.02079473 -0.00021604 0.01100293
12.04317970 23.00590575 -22.79633795
0.00091218 0.00056541 0.00049427
-0.02488768 -0.03941313 0.00005924
9.67151540 20.86832743 -23.21917193
0.00075018 0.00035030 0.00020835
0.01607085 0.01557414 0.00423019
-10.15250974 16.30681176 -16.96945405
0.00029090 -0.00024041 -0.00043405
-0.01543657 -0.01830251 0.01819330
-10.60005225 14.68909955 -14.25899600
-0.00084485 0.00038924 0.00045206
0.00089897 0.00842758 -0.01938975
2.60115278 18.29530138 11.09369510
0.00157098 0.00026773 0.00023980
0.01902684 -0.01563445 0.01020898
4.72211245 17.81031511 9.35426877
0.00013571 0.00015926 0.00013614
0.01286188 -0.00007323 -0.01531464
-3.72877358 -10.42309059 -3.44637326
0.00148318 -0.00016526 0.00131032
-0.01512636 0.00449743 0.01136436
-1.30716925 -11.04947786 -1.72378670
-0.00052450 -0.00011375 0.00018768
-0.02060154 -0.00028067 -0.02246758
0.39158178 -6.63844258 4.81285019
-0.00034982 -0.00016636 0.00006234
-0.00026915 -0.01606758 -0.01029691
2.89458958 -7.82767734 4.26260641
0.00019634 -0.00078857 0.00032446
0.04199803 -0.00506363 0.01363458
9.08127350 2.04268797 9.76490407
-0.00173239 0.00018400 -0.00041129
-0.00333538 -0.00117262 0.00382273
9.44942886 3.40536711 7.28536687
0.00025913 -0.00041476 0.00022489
0.00057529 0.00801979 -0.00054589
-7.68799525 -9.04096864 -4.57014936
-0.00110520 0.00023680 -0.00020264
-0.00268235 -0.00371336 0.01375417
-8.40093217 -10.20606710 -1.91634778
0.00066264 0.00048990 -0.00078831
0.00361465 0.00272659 -0.00947248
4.97636936 -13.81246186 -12.02859008
0.00022268 0.00004549 0.00048294
0.00997757 -0.00516218 0.00611774
2.26237964 -13.38251206 -13.10107081
-0.00008821 0.00019025 -0.00118175
0.01164687 0.01073979 -0.00238542
1.30523879 -6.06403375 -0.03644707
-0.00025477 0.00062148 -0.00011320
0.01177846 -0.03301180 0.01751968
-0.14697351 -3.76067126 -0.07917271
0.00013554 0.00022243 0.00005360
-0.00242064 0.00701359 -0.00786418
17.50061121 3.66827497 25.89807698
0.00023241 -0.00042823 -0.00056372
0.00332852 -0.00124872 -0.00671116
16.17016342 3.00265509 28.26584672
0.00068395 0.00052926 0.00071961
-0.01950855 -0.04242562 0.02733825
-11.09454710 7.25402928 -4.05353074
0.00090268 -0.00009738 -0.00061159
0.00524447 0.01200926 -0.00146263
-8.48633863 7.22430663 -5.61333514
-0.00067592 -0.00016820 -0.00020778
0.01036813 0.02457354 -0.00690694
-6.38259620 16.21092885 -9.31810483
-0.00009447 0.00002178 0.00034852
-0.00527706 0.00391627 0.00241535
-4.76194115 14.17534381 -10.65312880
0.00014503 -0.00008637 -0.00036274
0.00082839 -0.00292309 -0.00720716
3.00532111 10.43423758 -6.26000888
-0.00008938 -0.00057084 0.00077182
-0.00237533 0.00863086 0.00260971
1.55690593 13.10177415 -6.47192347
-0.00072351 0.00069589 -0.00061307
-0.00025536 -0.00444922 -0.00175676
-2.70451944 10.90194440 -14.34775149
0.00026418 0.00021961 0.00018087
-0.04453344 0.01010050 0.01407218
-5.74474959 10.51782809 -13.57229002
0.00042787 -0.00010111 0.00011379
0.01547813 0.00064350 0.00143679
3.82516891 7.95615130 19.11517042
0.00028340 0.00030179 0.00012507
0.00714756 0.00209953 0.01029352
1.90487493 6.97262812 17.24789192
-0.00017764 0.00089388 -0.00014162
0.00265996 -0.00610870 0.00333702
-13.40764082 8.68274987 -8.46054684
-0.00082699 -0.00024658 0.00045364
0.06103122 -0.00221695 0.01044113
-15.98432096 8.08365864 -7.57049470
0.00034257 0.00005479 0.00018120
0.00354887 0.01210023 -0.01371548
5.18624271 10.23297200 0.59862633
0.00141498 0.00079679 -0.00115762
0.00183458 -0.00712796 -0.00737266
2.60279633 9.37456353 1.71929116
-0.00170992 -0.00000657 0.00080309
0.00232903 -0.00485346 -0.01810185
14.19068739 -24.15114337 -25.50740305
0.00066622 0.00045766 0.00027079
-0.00696699 0.00209651 -0.00046288
15.00172412 -23.42482715 -28.17682719
-0.00031332 -0.00045729 -0.00105118
-0.00856996 0.00564042 -0.02137620
4.91215658 3.30501844 -1.11702876
-0.00061764 -0.00021603 -0.00038498
-0.02296457 -0.00508214 -0.00971177
4.96988710 5.88568360 0.23218036
-0.00057059 -0.00046339 -0.00026253
-0.00333879 0.00800852 0.00076404
16.97125972 -3.86863981 -0.52307957
-0.00053733 -0.00022070 0.00025164
0.00957247 0.02839007 -0.00735374
16.79258970 -6.59904796 -0.82815195
0.00026875 0.00073263 0.00050408
-0.01029664 -0.01683670 -0.00040598
-5.72676456 3.42104398 -1.54013633
-0.00091246 -0.00075016 0.00040940
0.02674019 -0.02948370 -0.04082472
-5.02285446 0.81848740 -3.20215626
-0.00012857 0.00061641 -0.00034525
-0.00145306 0.02298696 0.00158846
2.51667070 2.87422646 -11.11630566
-0.00051480 -0.00005069 -0.00072704
-0.00962970 -0.00359430 -0.01408158
-0.05270651 1.52024468 -10.50579224
-0.00069586 0.00067319 -0.00027041
0.02601804 0.01181367 -0.03944844
16.78885842 7.78078288 -8.39479512
-0.00099565 -0.00081623 0.00114713
0.00022619 0.01266280 0.00546116
16.58160055 10.63110136 -7.42665311
-0.00102401 0.00058686 0.00084441
-0.00032847 0.00250480 -0.00241902
-6.34038238 0.51930209 10.93284096
-0.00069134 -0.00028358 -0.00001069
0.00246361 -0.01183368 -0.03218243
-7.81946947 1.68152107 12.99465779
0.00089815 0.00021175 -0.00034701
0.00368427 -0.00280581 0.01530896
-2.21226837 -16.00574304 14.00485911
0.00026394 -0.00180579 -0.00056915
-0.01492269 -0.01365939 -0.00572506
-4.20221261 -17.94853642 12.55667012
-0.00021234 0.00178101 0.00012140
0.01668753 0.01922927 0.00723387
7.18108431 -6.47016311 -4.10923061
0.00010013 0.00036980 -0.00041306
-0.00358420 -0.00244006 -0.01522388
5.63879432 -8.33768089 -5.89500707
0.00014613 0.00059023 -0.00136392
0.00299002 0.00572731 0.00116554
-2.83948788 -11.71802449 2.45924749
0.00011662 0.00031664 -0.00035686
-0.01697071 -0.00108371 0.00460796
-0.32594389 -10.37897622 2.84460666
0.00042250 -0.00022366 -0.00025605
0.00531073 0.01232008 0.00340726
-15.12522187 -0.92281474 5.88930240
0.00144356 0.00012989 -0.00038152
0.01426226 0.01203904 0.00983927
-16.17316574 -1.65480051 3.13011132
0.00012755 -0.00036161 -0.00033732
0.00524503 -0.00058967 0.02602371
-9.57878942 4.91732439 -23.04275036
-0.00020066 0.00001139 -0.00044191
0.00173409 0.00369674 0.00023535
-8.99581301 4.82424266 -20.16647333
-0.00001539 0.00004080 0.00037549
-0.00051372 -0.00189511 -0.00742705
2.03783847 1.49289951 -3.14549400
-0.00033918 0.00010658 -0.00102147
-0.01406889 -0.00857828 0.00302169
0.75658991 0.74396669 -0.41334942
0.00071623 -0.00049199 -0.00066803
-0.02544468 -0.00538275 -0.00257242
13.68898697 9.80868485 4.11860579
0.00077251 0.00025010 -0.00085532
0.01584955 0.01416072 -0.00093517
11.33290532 9.47527113 2.57648715
0.00068468 -0.00019513 0.00046614
-0.01444045 0.01133596 -0.02267768
5.48044497 -9.00530824 -10.66701291
-0.00005716 -0.00026662 0.00013132
-0.00035267 -0.00066864 0.00250814
-13.02348131 10.44156478 21.13137580
-0.00004457 -0.00004045 0.00014688
0.01049935 -0.00017348 -0.00133973
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06930270
0.33228894
442.75834854
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1885343429
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.3954794492 (a.u.)
total exchange computation time: 3.4191648960 s
-154.2153634120
-931.40256903
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1885343429
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3948991746 (a.u.)
total exchange computation time: 3.4204719067 s
-154.2209531778
Anderson extrapolation: theta=1.3447372363 (1.3447372363)
-931.40279794
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1885343429
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.3940062778 (a.u.)
total exchange computation time: 3.4199421406 s
-154.2293205760
Anderson extrapolation: theta=0.0499571942 (0.0499571942)
-931.40293318
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1885343429
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3938737854 (a.u.)
total exchange computation time: 3.4202389717 s
-154.2304431473
Anderson extrapolation: theta=1.8962934674 (1.8962934674)
-931.40293785
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1885343429
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3935968443 (a.u.)
total exchange computation time: 3.4201920033 s
-154.2327302500
Anderson extrapolation: theta=0.2110122877 (0.2110122877)
-931.40294242
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1885343429
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3935308631 (a.u.)
total exchange computation time: 3.4178869724 s
-154.2332285079
Anderson extrapolation: theta=1.8960944544 (1.8960944544)
-931.40294320
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1885343429
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.3934260990 (a.u.)
total exchange computation time: 3.4203140736 s
-154.2339733336
Anderson extrapolation: theta=0.2819112819 (0.2819112819)
-931.40294410
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1885343429
ExchangeOperator: bisection time: 1.789 s
total exchange = -52.3934175895 (a.u.)
total exchange computation time: 3.4201700687 s
-154.2339869722
Anderson extrapolation: theta=1.3304725091 (1.3304725091)
-931.40294430
239.298202 32.505575 201.474293
-141.044954 489.619167 -803.503190
98.253247 522.124742 -602.028897
802.936323
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0715843023
ExchangeOperator: pair fraction: ispin=0: 0.1885343429
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3934223382 (a.u.)
total exchange computation time: 3.4206488132 s
679.25206126
-1084.25387457
89.62780968
-388.76689554
-174.86862291
78.58042971
551.60419304
0.00000000
-931.40294443
-8.81310608 -3.74464756 3.27531646
0.00018645 -0.00029618 0.00015429
0.03322476 -0.03268385 0.03675653
-17.90851694 4.69901374 6.63944557
-0.00001684 -0.00045852 -0.00019274
0.00934685 0.00533599 -0.00504258
-15.68959283 -0.95689874 0.58784872
0.00006445 0.00009633 -0.00000857
-0.03257074 -0.07039904 -0.04926822
3.53183363 -20.68448597 15.74334224
-0.00028671 0.00001597 -0.00023289
0.03931208 0.00827509 0.02214678
7.36951073 15.84099183 -1.28389662
0.00022280 0.00024025 -0.00015018
0.00101794 0.01710424 0.02190157
-9.73991005 9.70523097 11.06688169
-0.00000849 -0.00021280 0.00020716
-0.00050608 -0.00364474 0.01121956
-8.05060440 -0.68983559 -14.08742126
-0.00020421 0.00018947 -0.00028154
0.03965377 0.01741958 0.03009163
-10.80561102 2.12093597 -7.39174487
-0.00015731 0.00017068 0.00054912
0.02501696 0.03488494 0.00831977
-0.18418490 -5.73844423 15.04721689
-0.00004636 -0.00004086 0.00029944
0.01909071 0.00765376 0.02995913
-25.26916655 -0.54192225 -20.84163388
-0.00041927 -0.00011313 0.00021286
0.00506599 0.01949269 0.01451021
8.89734896 7.50782045 7.85107490
-0.00005883 0.00001807 0.00003644
-0.01706121 -0.01883151 0.00428752
20.76663843 28.76639599 -4.82096108
-0.00003612 0.00015895 -0.00015581
-0.00289704 0.01492865 -0.00809562
7.76970785 -1.61657305 -7.17631990
0.00002076 -0.00002030 -0.00008629
-0.01396071 -0.02063810 0.00101609
-9.54818035 -3.59330896 13.10758264
0.00029840 0.00016189 0.00052895
-0.03065664 0.00809636 0.02352679
-1.41067272 -22.73065654 13.85468594
0.00019060 -0.00009873 0.00005393
-0.00410394 0.00211377 0.00052295
-11.08482513 -8.67053247 -8.38706362
-0.00012257 -0.00027218 0.00036942
0.01498366 0.06729025 -0.02045219
-16.01004058 -8.52260623 -15.58617603
0.00025258 -0.00013564 0.00012989
-0.01790553 -0.01985968 0.00712395
16.39513176 12.54303484 3.47787517
0.00037737 0.00022662 0.00015014
-0.00582575 -0.01478856 0.02190449
20.39915425 -4.62205146 -14.72493485
-0.00031223 0.00007930 0.00003779
-0.02488224 -0.01780049 0.00325376
-0.73475746 8.12974302 -14.79151705
0.00040002 0.00013944 -0.00020465
-0.00046206 0.01042187 0.00569678
0.84236340 -0.91413735 -16.65303879
-0.00008227 0.00012858 -0.00035288
0.02061996 0.01115352 -0.00332562
11.51319422 21.13487071 -23.05826885
0.00020873 -0.00030401 -0.00018832
0.02074312 0.03277700 -0.00002949
-11.28628967 15.12833316 -15.92425248
0.00009703 0.00025802 -0.00046894
0.01750606 0.00927530 0.00007325
4.27598591 17.44866724 11.05648854
0.00014561 0.00028863 -0.00033592
-0.02525003 0.01243819 0.00417431
-2.04292699 -11.06832210 -3.51024376
-0.00026023 -0.00015064 -0.00028651
0.04230042 -0.00405430 0.02200326
1.22042571 -7.90156740 3.69253450
-0.00017409 -0.00052257 -0.00004443
-0.03010441 0.03114005 0.01020731
9.56213649 1.75063224 8.04140881
0.00014276 0.00028205 0.00020302
0.00263300 -0.00845757 0.00103628
-6.99597583 -9.52334002 -2.92496832
0.00024572 0.00017919 -0.00005332
-0.00517763 0.01077615 -0.01201414
3.95087251 -12.60650659 -12.90025220
-0.00005036 0.00027797 -0.00014076
-0.02204757 -0.00298646 -0.00495198
1.09757680 -4.65305429 -1.08036597
0.00016586 0.00004552 0.00020287
-0.01169709 0.03119989 -0.01454298
16.76196353 4.37847512 27.37231183
0.00032692 0.00018645 -0.00033563
0.01517804 0.03930392 -0.01931399
-9.60215233 6.30516329 -4.53418679
0.00003350 -0.00040595 0.00014306
-0.01702440 -0.03641658 0.01746131
-5.15753353 14.90467488 -9.03394079
0.00024256 0.00005704 -0.00032617
0.01038719 -0.00333098 0.00595873
3.10120389 12.18770104 -6.83273559
-0.00006368 -0.00000570 0.00000991
-0.00376024 -0.00790978 -0.00162174
-4.35624962 11.73692231 -13.75965417
0.00031626 0.00019651 -0.00005295
0.02070920 -0.00880916 -0.00765624
3.75903078 7.19474814 17.45476863
0.00031050 -0.00005119 -0.00009984
-0.01679286 0.00158427 -0.01600730
-15.04474867 8.84918857 -9.00758513
-0.00045208 -0.00005948 -0.00033529
-0.06299443 -0.01223547 0.01136186
3.74373580 9.12649862 0.28128841
-0.00005431 0.00027634 0.00035900
-0.00458754 0.01161710 0.02634348
15.65300205 -23.98581891 -26.61645771
0.00030461 -0.00007997 -0.00006901
0.01045687 -0.00756708 0.02083165
5.86008654 4.31502992 -0.00001867
-0.00017455 -0.00014311 0.00029552
0.03237078 -0.00469028 0.01372682
16.96180672 -5.34052541 0.47768883
0.00020196 0.00008661 -0.00015419
0.01147754 -0.01124767 0.00479852
-4.46816845 2.59804743 -2.81991143
-0.00031876 -0.00033513 0.00024523
-0.02776314 0.01933897 0.04173460
0.98134064 2.30939191 -11.96723695
-0.00003053 0.00015354 0.00039711
-0.02102150 -0.01450657 0.03654470
15.66297417 9.06396821 -7.51846323
-0.00017420 -0.00021546 0.00002564
0.00435155 -0.01595654 0.00152735
-6.14206841 0.96149486 12.65952598
-0.00040384 -0.00003070 0.00040738
-0.00373103 0.01452770 0.00581926
-3.40851240 -16.23667343 12.55706246
-0.00022521 0.00010213 0.00051324
-0.00078717 -0.00390748 -0.00261829
6.99431024 -7.05803146 -5.90630169
-0.00002186 0.00006781 -0.00015239
0.00670792 0.00982751 -0.00313968
-1.19924337 -11.53149548 1.73548690
0.00015173 0.00008945 -0.00026463
0.00796643 -0.01798527 -0.02043654
-16.43740024 -1.79657303 5.05673420
0.00022517 0.00003909 0.00021529
-0.01495569 -0.01297395 -0.01271597
-8.93774479 3.81161644 -21.73130553
-0.00029779 -0.00054026 -0.00048501
0.00205897 0.00811543 0.00645260
2.18070364 1.28206314 -1.32761734
0.00000495 -0.00007497 0.00028798
0.03566240 0.00851919 -0.02217307
12.34199325 8.67305931 3.82295111
0.00007711 -0.00034227 0.00002632
0.00335413 -0.02446578 0.01972692
-7.24626288 -4.30798170 2.28665197
-0.00009996 0.00069756 0.00085577
-0.03456279 0.00912291 0.00501972
-9.82077539 -2.51062760 2.50057350
-0.00109793 -0.00177019 0.00038967
-0.00797118 0.01857643 -0.02852488
-16.71708991 6.07224522 6.91174479
0.00073417 0.00020357 -0.00005600
-0.00285052 0.00270308 0.00565230
-17.00370790 3.80283062 5.33835277
-0.00001248 0.00010785 0.00021055
-0.00731897 -0.00669634 -0.00431668
-15.66052901 0.80191648 0.75230036
-0.00039138 0.00068007 0.00011519
-0.00927500 0.04478127 -0.00323178
-17.24370582 -1.54860708 -0.49232833
0.00055665 -0.00116763 0.00070775
0.03938413 0.03002603 0.02940175
2.01794664 -21.26134724 14.97045722
-0.00097282 0.00004285 -0.00005705
-0.01919958 0.01131810 -0.01284624
4.06360766 -18.90134701 15.73325058
-0.00025303 0.00018690 0.00006829
-0.02485975 -0.01312371 -0.00572505
8.38442954 14.31175529 -1.19582145
0.00027975 -0.00007967 -0.00066251
0.00227660 -0.01259834 0.00681503
7.81984738 16.86146829 0.18115086
-0.00086299 -0.00093447 0.00008829
-0.00159629 -0.00614474 -0.01083047
-8.62567518 9.02186028 12.41068008
0.00014943 0.00028231 -0.00017784
-0.00101080 0.00527714 -0.01328082
-10.37840543 11.15162468 12.09607395
-0.00058779 0.00092365 -0.00056060
-0.00308889 -0.00427324 -0.01211936
-9.60402889 0.18435046 -13.94330709
-0.00120387 0.00010815 -0.00103968
-0.03040485 0.01080214 -0.00724977
-8.22601385 -2.03634937 -15.21170404
-0.00008022 0.00005291 0.00083968
-0.00842001 -0.02518343 -0.02962728
-12.15551648 1.14049427 -6.75984648
-0.00026250 0.00017621 -0.00100631
-0.01394310 -0.01725168 0.00610860
-10.42988716 3.45445892 -6.07045141
-0.00017641 0.00081657 0.00092588
-0.00419851 -0.01143600 -0.01870147
-1.84259613 -6.11211346 14.47130951
-0.00033143 0.00048376 -0.00008881
-0.02512132 -0.01221737 -0.00526022
-0.22018656 -5.81004541 16.92001588
-0.00008820 0.00007403 -0.00031539
-0.00140747 0.00489595 -0.01862025
-24.61957057 -0.40376327 -19.09181171
-0.00119798 -0.00045280 -0.00043168
-0.00087306 -0.00011004 -0.01943557
-25.61739796 1.18823759 -21.46477887
-0.00007142 -0.00027569 0.00028340
0.00598721 -0.02103837 0.00115059
9.61553674 8.56031589 6.58309961
-0.00064240 0.00116046 0.00013219
0.01549677 0.00406828 -0.01330982
10.05019449 7.61322568 9.26042435
0.00014026 -0.00023469 -0.00000321
0.00605764 0.01066244 0.00447314
19.76762871 27.41248032 -4.09234090
-0.00008474 -0.00014405 -0.00012442
-0.00263216 -0.00356235 0.00306876
20.06027668 30.50579045 -4.27723956
-0.00000108 -0.00012242 -0.00021712
0.01384185 -0.01982451 -0.00288934
6.48469636 -0.34133248 -6.83310593
-0.00069141 0.00082721 0.00024298
-0.00350627 -0.00641336 -0.00304687
6.79774914 -3.24646708 -7.22174321
0.00081725 -0.00014123 -0.00011765
0.01732306 0.01971321 0.00128070
-8.63634226 -2.39212985 12.11858288
0.00094624 0.00037099 -0.00019052
-0.00095434 0.00842771 -0.00727875
-10.97311839 -2.63369382 14.00383121
-0.00070201 -0.00087854 -0.00049577
0.02715398 -0.02107680 -0.02299029
-1.40337239 -24.47383433 14.41456336
-0.00069115 0.00082138 0.00104434
0.00976662 -0.00445227 0.00011998
-3.15882268 -22.40050620 13.37419197
0.00053550 0.00020406 0.00013005
0.00219228 0.00344509 0.00801164
-12.40412463 -7.84835180 -7.26339349
0.00155116 0.00077991 -0.00014658
0.00399791 -0.01475874 -0.00997226
-10.29398544 -7.09517586 -9.34467724
-0.00005919 0.00040942 -0.00058941
-0.02684310 -0.04648202 0.03728968
-16.04318181 -10.34911694 -15.22239878
-0.00039860 0.00065314 -0.00119488
-0.00177141 0.01542929 -0.00637788
-14.31071062 -8.07129944 -16.10231352
0.00006363 0.00003131 -0.00022246
0.01151758 0.00332077 -0.00044354
16.68772639 12.56258595 5.31838361
0.00035793 0.00021004 -0.00012205
-0.00045518 -0.00235866 -0.00605166
17.33297711 13.97089081 2.95382094
0.00051891 0.00025128 -0.00047376
0.00634619 0.01729633 -0.01172551
18.81428323 -3.84657837 -15.20775864
-0.00118834 -0.00056380 0.00027664
-0.00052341 -0.00883704 0.00382388
21.52769436 -3.37292738 -15.36666124
0.00044121 0.00026933 -0.00031052
0.02451401 0.02320763 -0.00670973
-1.94214221 7.27365591 -13.77682306
0.00070211 -0.00005816 0.00009258
-0.01730626 -0.00513937 0.01835181
0.08786335 6.68401604 -15.44685427
-0.00027440 0.00032575 -0.00064015
0.02035637 -0.01429928 -0.01967179
1.02467205 0.37125715 -15.33396515
0.00000536 0.00034342 -0.00056400
-0.00473693 -0.00213636 0.00071053
2.68881111 -1.15276295 -17.13726768
-0.00122916 0.00059103 -0.00050996
-0.01641076 -0.00108182 0.00969353
12.05609982 23.01317917 -22.78892204
0.00080791 0.00039626 0.00049327
-0.02615378 -0.04338586 -0.00055224
9.68326057 20.87405919 -23.21591713
0.00080652 0.00041210 0.00022433
0.01150766 0.01467567 0.00359385
-10.14861920 16.30264484 -16.97540735
0.00022996 -0.00031322 -0.00036038
-0.01439697 -0.01734237 0.01786893
-10.61269741 14.69519641 -14.25280927
-0.00084239 0.00042544 0.00036682
0.00030375 0.00929046 -0.02233380
2.62530053 18.29883822 11.09760492
0.00163273 0.00021170 0.00028203
0.01119945 -0.01179126 0.01046125
4.72454226 17.81270178 9.35584152
0.00019024 0.00016037 0.00006640
0.01382783 0.00061534 -0.01881971
-3.70698932 -10.42543168 -3.42637017
0.00139646 -0.00013758 0.00135426
-0.02732371 0.00905135 0.01014333
-1.31566804 -11.05119267 -1.72166002
-0.00060630 -0.00011602 0.00009271
-0.01944143 -0.00083064 -0.02402093
0.38632629 -6.64143029 4.81346982
-0.00034843 -0.00023509 0.00001791
0.00094848 -0.01758021 -0.01145374
2.89882167 -7.83966109 4.26789117
0.00035798 -0.00080915 0.00037730
0.03712550 -0.00501100 0.01222690
9.05518546 2.04541199 9.75885179
-0.00174596 0.00017888 -0.00039438
-0.00330747 -0.00133117 0.00445505
9.45333337 3.39939145 7.28872352
0.00026106 -0.00037298 0.00021787
0.00037114 0.01243380 -0.00289123
-7.70465542 -9.03753037 -4.57276747
-0.00111032 0.00022000 -0.00013921
0.00017638 -0.00451082 0.01729600
-8.39088176 -10.19863498 -1.92846275
0.00066924 0.00049637 -0.00081859
-0.00038712 0.00043728 -0.00534909
4.98001525 -13.81193765 -12.02115858
0.00025665 0.00003103 0.00050268
0.00665478 -0.00191527 0.00354735
2.26141331 -13.37932921 -13.11887013
-0.00003839 0.00023433 -0.00119021
0.01274087 0.01083640 -0.00175592
1.30177818 -6.05572315 -0.03760819
-0.00020497 0.00047640 -0.00003468
0.01259934 -0.03800596 0.02091518
-0.14501461 -3.75711996 -0.07860977
0.00012592 0.00025106 0.00002096
-0.00228829 0.00700405 -0.00810972
17.50419937 3.66181322 25.88941551
0.00024281 -0.00043143 -0.00058486
0.00176003 -0.00031408 -0.00363506
16.17982492 3.00929391 28.27747862
0.00060675 0.00036012 0.00082845
-0.01828490 -0.04037004 0.02593796
-11.08084614 7.25293663 -4.06274940
0.00091348 -0.00004387 -0.00061346
0.00004284 0.01418345 0.00054677
-8.49615974 7.22253668 -5.61666352
-0.00063117 -0.00006839 -0.00023723
0.01153825 0.02428249 -0.00750580
-6.38417501 16.21137563 -9.31280298
-0.00011464 0.00003609 0.00035784
-0.00459452 0.00308394 0.00214571
-4.75974037 14.17395876 -10.65879073
0.00014762 -0.00009714 -0.00039125
0.00043983 -0.00235163 -0.00674867
3.00390757 10.42593952 -6.24835157
-0.00009879 -0.00052526 0.00077895
-0.00222743 0.01368030 0.00088117
1.54604547 13.11207624 -6.48117339
-0.00071496 0.00067159 -0.00062211
0.00443918 -0.00744620 -0.00266839
-2.70192133 10.90554806 -14.34460724
0.00008404 0.00026040 0.00023762
-0.04364885 0.00986491 0.01370842
-5.73785727 10.51633115 -13.57053918
0.00049195 -0.00009715 0.00011949
0.01588814 0.00129394 0.00135347
3.82963886 7.96074243 19.11736197
0.00031248 0.00030812 0.00016300
0.00708827 0.00099967 0.00827205
1.90229177 6.98584909 17.24586991
-0.00016243 0.00086842 -0.00012755
0.00478946 -0.00635397 0.00354707
-13.41817541 8.67898327 -8.45342226
-0.00057663 -0.00025472 0.00049475
0.06151913 -0.00176711 0.00968069
-15.97907360 8.08485133 -7.56819693
0.00035323 0.00010392 0.00012514
0.00166547 0.01194572 -0.01372941
5.20752362 10.24470535 0.58103605
0.00140756 0.00075848 -0.00118645
-0.00546483 -0.01162042 -0.00674059
2.57721884 9.37431630 1.73078276
-0.00168566 -0.00002599 0.00071614
0.00954755 -0.00465176 -0.02445756
14.20046719 -24.14421429 -25.50335545
0.00063569 0.00046596 0.00026921
-0.00797878 0.00196871 -0.00031059
14.99676173 -23.43151363 -28.19324999
-0.00034253 -0.00044011 -0.00112206
-0.00572755 0.00277003 -0.01331913
4.90218831 3.30162219 -1.12310108
-0.00070374 -0.00023038 -0.00041634
-0.01918342 -0.00194066 -0.00563661
4.96122590 5.87897820 0.22826578
-0.00058477 -0.00042779 -0.00025802
-0.00360055 0.00941747 0.00144581
16.96349308 -3.87108037 -0.51953032
-0.00049841 -0.00009785 0.00021736
0.00947873 0.03174837 -0.00942650
16.79630540 -6.58857448 -0.82060317
0.00022569 0.00065387 0.00049242
-0.01078306 -0.02171718 -0.00530433
-5.73963206 3.40888804 -1.53524629
-0.00080149 -0.00087036 0.00024142
0.02757948 -0.02935400 -0.04140491
-5.02482761 0.82843788 -3.20728635
-0.00013694 0.00070068 -0.00034053
-0.00263955 0.01826489 0.00072311
2.50865356 2.87335598 -11.12764279
-0.00054232 -0.00006122 -0.00077643
-0.00383983 -0.00155934 -0.01009300
-0.06234715 1.53070456 -10.51105717
-0.00058877 0.00072047 -0.00042833
0.02640582 0.01132899 -0.03785640
16.77393063 7.76892745 -8.37742082
-0.00098875 -0.00076406 0.00116692
0.00314924 0.01287595 0.00422432
16.56623033 10.63998104 -7.41406115
-0.00102582 0.00059071 0.00083314
-0.00055514 -0.00061924 -0.00309593
-6.35067695 0.51468577 10.93169449
-0.00067963 -0.00032974 -0.00013312
0.00326779 -0.01076360 -0.02775014
-7.80588427 1.68461138 12.98992180
0.00089813 0.00020703 -0.00028054
-0.00369350 0.00049491 0.01722931
-2.20876660 -16.03324850 13.99614647
0.00020772 -0.00185738 -0.00058640
-0.01259387 -0.01159323 -0.00271929
-4.20488628 -17.92123196 12.55871282
-0.00015219 0.00184094 0.00014981
0.01275353 0.01010579 0.00667445
7.18247641 -6.46469089 -4.11589302
0.00008385 0.00035900 -0.00047397
-0.00438297 -0.00284441 -0.01458962
5.64107786 -8.32865191 -5.91543010
0.00015348 0.00060942 -0.00135657
0.00060906 0.00366761 0.00243266
-2.83825855 -11.71330817 2.45403573
0.00004742 0.00031226 -0.00033764
-0.01690552 -0.00105921 0.00480155
-0.31944364 -10.38195357 2.84087035
0.00044431 -0.00017216 -0.00024141
0.00536440 0.01289058 0.00375796
-15.10313136 -0.92049750 5.88388116
0.00149247 0.00017278 -0.00034723
0.00967770 0.00895428 0.00694401
-16.17109175 -1.66024268 3.12584896
0.00014854 -0.00036361 -0.00022734
0.00503138 -0.00039303 0.02781112
-9.58174626 4.91760858 -23.04937176
-0.00019237 0.00002402 -0.00043823
0.00232748 0.00248152 0.00156353
-8.99605963 4.82479652 -20.16106862
-0.00001722 0.00002563 0.00033372
-0.00037921 -0.00552655 -0.01301629
2.03231966 1.49423538 -3.16072341
-0.00039358 0.00006923 -0.00098970
-0.01256122 -0.00970683 0.01252843
0.76655365 0.73642190 -0.42344875
0.00059844 -0.00051945 -0.00066919
-0.03221427 -0.00806130 0.00200770
13.70106033 9.81287033 4.10574732
0.00082756 0.00029845 -0.00086054
0.01109697 0.00950553 -0.00161779
11.34273299 9.47269160 2.58278431
0.00061914 -0.00014550 0.00036667
-0.01764060 0.01295704 -0.02601480
5.47958659 -9.00930941 -10.66503643
-0.00005731 -0.00026683 0.00013219
-0.00049789 -0.00050006 0.00238407
-13.02413154 10.44095771 21.13357662
-0.00004216 -0.00004048 0.00014656
0.01027285 -0.00003819 -0.00139874
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06932009
0.33362433
444.53769808
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1892266090
ExchangeOperator: bisection time: 1.877 s
total exchange = -52.3966947110 (a.u.)
total exchange computation time: 3.5356020927 s
-154.2177152372
-931.40315627
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1892266090
ExchangeOperator: bisection time: 1.875 s
total exchange = -52.3961161052 (a.u.)
total exchange computation time: 3.5392608643 s
-154.2232598584
Anderson extrapolation: theta=1.3451653958 (1.3451653958)
-931.40338200
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1892266090
ExchangeOperator: bisection time: 1.876 s
total exchange = -52.3952233662 (a.u.)
total exchange computation time: 3.5366818905 s
-154.2315925835
Anderson extrapolation: theta=0.0502732335 (0.0502732335)
-931.40351552
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1892266090
ExchangeOperator: bisection time: 1.875 s
total exchange = -52.3950890654 (a.u.)
total exchange computation time: 3.5339679718 s
-154.2327336934
Anderson extrapolation: theta=1.8986149203 (1.8986149203)
-931.40352017
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1892266090
ExchangeOperator: bisection time: 1.876 s
total exchange = -52.3948074713 (a.u.)
total exchange computation time: 3.5347177982 s
-154.2350655749
Anderson extrapolation: theta=0.2104979811 (0.2104979811)
-931.40352474
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1892266090
ExchangeOperator: bisection time: 1.872 s
total exchange = -52.3947398573 (a.u.)
total exchange computation time: 3.5353829861 s
-154.2355766645
Anderson extrapolation: theta=1.8902820632 (1.8902820632)
-931.40352552
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1892266090
ExchangeOperator: bisection time: 1.875 s
total exchange = -52.3946317119 (a.u.)
total exchange computation time: 3.5396909714 s
-154.2363446430
Anderson extrapolation: theta=0.2811274293 (0.2811274293)
-931.40352641
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1892266090
ExchangeOperator: bisection time: 1.873 s
total exchange = -52.3946216939 (a.u.)
total exchange computation time: 3.5357489586 s
-154.2363658862
Anderson extrapolation: theta=1.3313788387 (1.3313788387)
-931.40352661
239.296269 32.595982 201.459450
-141.057918 489.664128 -803.556720
98.238350 522.260111 -602.097271
803.073795
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1892266090
ExchangeOperator: bisection time: 1.874 s
total exchange = -52.3946238980 (a.u.)
total exchange computation time: 3.5353031158 s
679.27254159
-1084.28754341
89.62273631
-388.74500194
-174.87163537
78.59810958
551.60419304
0.00000000
-931.40352672
-8.81018124 -3.74921633 3.27777261
0.00020318 -0.00031308 0.00017414
0.03186843 -0.03303868 0.04041937
-17.90873346 4.69215658 6.63653501
-0.00001138 -0.00045381 -0.00019420
0.01189512 0.01296922 -0.00063204
-15.68875167 -0.95572541 0.58753018
0.00004830 0.00006161 -0.00003325
-0.03023107 -0.06459970 -0.04670726
3.52768468 -20.68421456 15.73993427
-0.00026739 0.00002005 -0.00022198
0.03580634 0.00761175 0.02030771
7.37285670 15.84466152 -1.28606488
0.00022326 0.00024777 -0.00014008
0.00075830 0.01214595 0.01738588
-9.74003941 9.70202493 11.07003230
-0.00000951 -0.00021361 0.00021272
-0.00346017 0.00049118 0.01040120
-8.05351462 -0.68692638 -14.09152833
-0.00018534 0.00020032 -0.00026517
0.03374219 0.02477184 0.03355921
-10.80787424 2.12363070 -7.38347593
-0.00014348 0.00018971 0.00055347
0.02879078 0.03912872 0.00857334
-0.18480663 -5.73902759 15.05182411
-0.00003716 -0.00003709 0.00031352
0.01669221 0.00699564 0.02476699
-25.27543610 -0.54354403 -20.83838506
-0.00041714 -0.00010362 0.00021903
0.00321152 0.01749464 0.00947861
8.89640066 7.50801886 7.85163802
-0.00006718 0.00000888 0.00003813
-0.01538947 -0.01689027 0.00227260
20.76608546 28.76883778 -4.82332940
-0.00003770 0.00016581 -0.00015979
-0.00326506 0.01176724 -0.00739286
7.76996539 -1.61695710 -7.17761039
0.00001272 -0.00002905 -0.00008546
-0.01728826 -0.01339897 0.00223365
-9.54382255 -3.59084941 13.11560759
0.00028385 0.00016658 0.00053970
-0.02593527 0.01014830 0.01828744
-1.40782949 -22.73212935 13.85549684
0.00018887 -0.00009678 0.00005403
-0.00264032 0.00547847 -0.00013060
-11.08660586 -8.67435557 -8.38160124
-0.00011357 -0.00023717 0.00035764
0.02000943 0.06882863 -0.02533255
-16.00632100 -8.52471749 -15.58420027
0.00024336 -0.00014400 0.00013315
-0.01791730 -0.01263746 0.00557461
16.40076981 12.54637703 3.48021172
0.00037460 0.00021950 0.00016065
-0.00493242 -0.01289327 0.01898578
20.39437486 -4.62093064 -14.72435552
-0.00032462 0.00007131 0.00003882
-0.02332258 -0.01324524 0.00078707
-0.72875886 8.13187482 -14.79456481
0.00039936 0.00014504 -0.00020137
-0.00213757 0.01137222 0.00706690
0.84120882 -0.91216565 -16.65834475
-0.00007295 0.00013454 -0.00035417
0.01565156 0.01202280 -0.00171357
11.51640518 21.13043701 -23.06109372
0.00022091 -0.00028617 -0.00018797
0.02661557 0.03660216 0.00137351
-11.28476670 15.13223920 -15.93128623
0.00010576 0.00026222 -0.00046805
0.01644322 0.00704927 0.00335558
4.27807269 17.45304469 11.05146581
0.00013472 0.00029370 -0.00033313
-0.01709063 0.00725392 0.00667713
-2.04666721 -11.07059739 -3.51445657
-0.00023574 -0.00015367 -0.00027474
0.05292790 -0.00772812 0.02377202
1.21769826 -7.90928583 3.69190739
-0.00018819 -0.00050624 -0.00003845
-0.02472050 0.03237771 0.01306849
9.56428804 1.75483039 8.04445816
0.00014417 0.00027665 0.00020402
0.00283873 -0.01255798 0.00285013
-6.99231004 -9.52061053 -2.92581444
0.00024342 0.00018550 -0.00006130
-0.00376573 0.01374837 -0.01903120
3.95003210 -12.60234863 -12.90238266
-0.00006101 0.00027560 -0.00014279
-0.01939165 -0.00622482 -0.00297121
1.10001956 -4.65225114 -1.07737896
0.00015969 0.00006248 0.00019484
-0.01229772 0.03476310 -0.01671588
16.76692587 4.38142353 27.36720288
0.00033460 0.00020541 -0.00034565
0.01469289 0.03441468 -0.01966709
-9.60171554 6.29893360 -4.53197349
0.00002592 -0.00042497 0.00015153
-0.01242354 -0.03756360 0.01548246
-5.15385506 14.90551757 -9.03881040
0.00024777 0.00005541 -0.00032320
0.00988196 -0.00300752 0.00559614
3.10023420 12.18758503 -6.83259317
-0.00006671 -0.00001015 0.00000962
-0.00803340 -0.00938269 0.00048741
-4.35142582 11.73983599 -13.76047795
0.00032639 0.00019202 -0.00005670
0.01867860 -0.00865401 -0.00692180
3.76362350 7.19398633 17.45320934
0.00030131 -0.00005003 -0.00010744
-0.01894652 0.00294634 -0.01354778
-15.05177286 8.84824918 -9.01257060
-0.00048330 -0.00006587 -0.00032912
-0.05841191 -0.01260097 0.01262840
3.74290343 9.13068855 0.28677498
-0.00005653 0.00028316 0.00037357
-0.00404236 0.01489025 0.03032664
15.65761148 -23.98704759 -26.61741256
0.00030938 -0.00008316 -0.00006045
0.00809794 -0.00484669 0.01245942
5.85759319 4.31286518 0.00446715
-0.00015888 -0.00014663 0.00030138
0.02856541 -0.00898447 0.00903563
16.96488035 -5.33926960 0.47539442
0.00020806 0.00008140 -0.00015019
0.01226798 -0.00901915 0.01079152
-4.47305697 2.59309507 -2.81607193
-0.00033268 -0.00032394 0.00026694
-0.02636156 0.02418710 0.04267093
0.98080159 2.31163910 -11.96113930
-0.00004287 0.00014577 0.00041417
-0.02694747 -0.01571811 0.02977698
15.66037803 9.06067472 -7.51807279
-0.00017262 -0.00022266 0.00002703
0.00176593 -0.01204595 0.00390279
-6.14814042 0.96109035 12.66565910
-0.00040399 -0.00002455 0.00040849
0.00316382 0.00938381 -0.00148505
-3.41189354 -16.23515649 12.56475100
-0.00022506 0.00010216 0.00051110
0.00134620 0.00401229 -0.00572532
6.99400819 -7.05697637 -5.90859961
-0.00001769 0.00007351 -0.00015442
0.00950176 0.01234111 -0.00474441
-1.19693670 -11.53022315 1.73143870
0.00015560 0.00008008 -0.00027517
0.00709080 -0.01844836 -0.02055991
-16.43408033 -1.79603668 5.05991443
0.00021887 0.00003326 0.00020919
-0.00954396 -0.00972629 -0.01099969
-8.94220373 3.80354392 -21.73855585
-0.00029688 -0.00053494 -0.00048074
0.00148515 0.01254670 0.01018289
2.18091552 1.28097140 -1.32338318
0.00002440 -0.00006967 0.00027332
0.03994649 0.01211482 -0.03482774
12.34316288 8.66783083 3.82342208
0.00008079 -0.00035391 0.00003726
0.01096143 -0.02079951 0.02279934
-7.24882146 -4.29723875 2.29964227
-0.00023539 0.00073247 0.00087149
-0.03172704 0.00796522 0.00267589
-9.83748855 -2.53661125 2.50554449
-0.00113347 -0.00169044 0.00026988
-0.00942957 0.02046342 -0.03011228
-16.70616476 6.07538156 6.91107800
0.00071308 0.00020419 -0.00003459
-0.00747067 -0.00239617 0.00482666
-17.00411934 3.80424323 5.34137874
-0.00003803 0.00007539 0.00018594
-0.00518931 -0.00919435 -0.00772932
-15.66668400 0.81348970 0.75392925
-0.00043075 0.00085007 0.00010043
-0.00999407 0.03843916 -0.00399381
-17.23414920 -1.56520143 -0.48081110
0.00071421 -0.00104418 0.00082456
0.03773999 0.03040202 0.02777526
2.00276604 -21.26035773 14.96920779
-0.00104375 0.00009162 -0.00010580
-0.01552449 0.01255866 -0.01101514
4.05905039 -18.89894571 15.73409948
-0.00035506 0.00013214 0.00004499
-0.02508546 -0.01367861 -0.00567891
8.38869561 14.31017422 -1.20555031
0.00028648 -0.00012732 -0.00063457
0.00101665 -0.01072908 0.00686396
7.80685355 16.84726296 0.18214328
-0.00086636 -0.00095328 0.00005297
-0.00004929 -0.00306538 -0.00645784
-8.62346466 9.02625657 12.40760546
0.00014697 0.00030320 -0.00022790
-0.00019688 0.00495257 -0.01122436
-10.38731688 11.16534844 12.08729359
-0.00059660 0.00089784 -0.00061252
-0.00122561 -0.00835796 -0.01329563
-9.62301857 0.18630378 -13.95912447
-0.00131587 0.00014643 -0.00106920
-0.02442177 0.00793572 -0.00720074
-8.22747510 -2.03632745 -15.20001671
-0.00011467 -0.00005876 0.00071247
-0.00844350 -0.02947856 -0.03264310
-12.15988126 1.14260878 -6.77475395
-0.00032486 0.00010269 -0.00097779
-0.01658150 -0.01873628 0.00785462
-10.43266202 3.46635702 -6.05713635
-0.00019610 0.00076382 0.00084531
-0.00543939 -0.01438261 -0.02073695
-1.84833736 -6.10523150 14.46981614
-0.00042858 0.00043505 -0.00010837
-0.02243499 -0.01162385 -0.00431351
-0.22155263 -5.80878496 16.91471448
-0.00009436 0.00009353 -0.00038266
-0.00160992 0.00464800 -0.01431049
-24.63756709 -0.41055871 -19.09888243
-0.00119731 -0.00045234 -0.00049958
0.00120301 0.00033840 -0.01380550
-25.61828573 1.18345757 -21.46049258
-0.00004765 -0.00035852 0.00028669
0.00564583 -0.01950914 0.00045762
9.60637555 8.57784744 6.58467454
-0.00058185 0.00117273 0.00008338
0.01414389 0.00193849 -0.01058213
10.05248395 7.61003208 9.26051323
0.00016427 -0.00019096 0.00001372
0.00569658 0.01074453 0.00381692
19.76627693 27.41021035 -4.09411313
-0.00009320 -0.00015515 -0.00011309
-0.00150794 -0.00186991 0.00247454
20.06068470 30.50334660 -4.28058495
0.00005391 -0.00020149 -0.00022854
0.01307420 -0.01887761 -0.00269675
6.47421771 -0.32912081 -6.82955454
-0.00069548 0.00078851 0.00022756
0.00151621 -0.01253005 -0.00450331
6.81053869 -3.24798140 -7.22346870
0.00088408 -0.00006327 -0.00011212
0.01539365 0.01844808 0.00142559
-8.62217795 -2.38630674 12.11550198
0.00093343 0.00039663 -0.00021145
-0.00531477 0.00412047 -0.00296712
-10.98281647 -2.64751775 13.99569022
-0.00059229 -0.00096020 -0.00058777
0.02655364 -0.01889540 -0.02204842
-1.41344037 -24.46165002 14.43023219
-0.00065077 0.00079525 0.00104741
0.01000224 -0.00834137 0.00138332
-3.15072295 -22.39733981 13.37638829
0.00054038 0.00021945 0.00016152
0.00019576 0.00409193 0.00739356
-12.38073468 -7.83710541 -7.26589776
0.00155893 0.00072177 -0.00018085
-0.00019690 -0.01370289 -0.00680376
-10.29569590 -7.09045897 -9.35237577
-0.00016962 0.00021476 -0.00043419
-0.02720957 -0.04880164 0.03869292
-16.04921510 -10.33884705 -15.24051738
-0.00040552 0.00070186 -0.00121747
-0.00161482 0.00841789 -0.00468239
-14.30940330 -8.07072810 -16.10566406
0.00011053 0.00004461 -0.00022451
0.01144237 0.00319143 -0.00056016
16.69308139 12.56566423 5.31636744
0.00035703 0.00020106 -0.00014328
0.00001662 -0.00203522 -0.00433978
17.34095516 13.97518998 2.94635526
0.00054165 0.00031734 -0.00051930
0.00478848 0.01504423 -0.01056946
18.79644214 -3.85530609 -15.20349189
-0.00118263 -0.00060092 0.00029309
0.00331906 -0.00933729 0.00422822
21.53506369 -3.36817633 -15.37152471
0.00053049 0.00035631 -0.00033404
0.01919126 0.01936975 -0.00480121
-1.93214082 7.27262603 -13.77487200
0.00063268 -0.00007780 0.00016678
-0.01668217 -0.00447478 0.01796770
0.08437106 6.68846418 -15.45705936
-0.00018925 0.00026399 -0.00072270
0.02132773 -0.01593663 -0.02073673
1.02460733 0.37634298 -15.34240333
-0.00001439 0.00033446 -0.00056094
-0.00492999 -0.00224886 0.00078416
2.66987077 -1.14393070 -17.14462007
-0.00128572 0.00058466 -0.00047363
-0.01127560 -0.00203485 0.00809356
12.06741706 23.01779363 -22.78153996
0.00069923 0.00021309 0.00048991
-0.02704526 -0.04627683 -0.00109234
9.69571100 20.88069037 -23.21244207
0.00084319 0.00047000 0.00023768
0.00644496 0.01366872 0.00294132
-10.14561100 16.29741507 -16.98026554
0.00017391 -0.00038150 -0.00028868
-0.01304086 -0.01607959 0.01723182
-10.62532395 14.70186265 -14.24799129
-0.00084186 0.00046480 0.00027069
-0.00004658 0.00998022 -0.02472661
2.65013466 18.30165242 11.10215586
0.00166054 0.00017263 0.00032538
0.00241520 -0.00733353 0.01076197
4.72781953 17.81512615 9.35626087
0.00024816 0.00016404 -0.00001620
0.01452832 0.00118377 -0.02161314
-3.68687963 -10.42721804 -3.40574544
0.00126074 -0.00009142 0.00139371
-0.03911644 0.01354627 0.00916700
-1.32535832 -11.05295839 -1.72100550
-0.00068254 -0.00012057 -0.00000730
-0.01787686 -0.00139987 -0.02493272
0.38112892 -6.64549542 4.81338750
-0.00034255 -0.00030911 -0.00003045
0.00192973 -0.01865078 -0.01221671
2.90532904 -7.85195194 4.27392526
0.00049700 -0.00082950 0.00042349
0.03092587 -0.00495101 0.01038666
9.02889472 2.04805442 9.75307255
-0.00175919 0.00017300 -0.00037570
-0.00316972 -0.00154706 0.00469012
9.45726062 3.39417781 7.29190299
0.00026222 -0.00031364 0.00020149
0.00019833 0.01661170 -0.00512557
-7.72130478 -9.03436854 -4.57432558
-0.00110402 0.00020034 -0.00006251
0.00290602 -0.00511469 0.02024918
-8.38085507 -10.19117607 -1.94090555
0.00065897 0.00049316 -0.00083158
-0.00463944 -0.00200916 -0.00100629
4.98406898 -13.81153082 -12.01350967
0.00027693 0.00002994 0.00051176
0.00326970 0.00137732 0.00089940
2.26122783 -13.37548224 -13.13677706
0.00001505 0.00027838 -0.00119615
0.01342086 0.01072598 -0.00115275
1.29908974 -6.04974179 -0.03748751
-0.00015249 0.00031400 0.00005568
0.01309151 -0.04148912 0.02331676
-0.14319595 -3.75313941 -0.07854384
0.00011684 0.00027947 -0.00001251
-0.00215666 0.00690224 -0.00827667
17.50789538 3.65533222 25.88053127
0.00024678 -0.00043078 -0.00059337
0.00018459 0.00062865 -0.00053162
16.18836582 3.01345860 28.29070016
0.00053618 0.00020319 0.00092874
-0.01625744 -0.03644840 0.02315361
-11.06714256 7.25271323 -4.07193455
0.00090310 0.00001846 -0.00060712
-0.00512558 0.01632748 0.00255504
-8.50527372 7.22225492 -5.62045191
-0.00058274 0.00002909 -0.00026792
0.01216771 0.02343246 -0.00752022
-6.38603539 16.21201141 -9.30736961
-0.00013171 0.00004667 0.00036609
-0.00376132 0.00209768 0.00189467
-4.75751265 14.17242958 -10.66486625
0.00014853 -0.00010538 -0.00041749
0.00000905 -0.00168222 -0.00609575
3.00235751 10.41847988 -6.23664025
-0.00010759 -0.00046018 0.00077925
-0.00207990 0.01817664 -0.00073580
1.53545707 13.12192198 -6.49058685
-0.00068796 0.00063552 -0.00063457
0.00877693 -0.01020993 -0.00343143
-2.70199829 10.90975631 -14.34062286
-0.00009062 0.00029948 0.00029228
-0.04184800 0.00926615 0.01304784
-5.72999122 10.51491350 -13.56870539
0.00055717 -0.00009084 0.00012491
0.01603762 0.00179530 0.00129920
3.83454322 7.96539483 19.12006048
0.00034121 0.00030972 0.00019218
0.00697544 -0.00021377 0.00601170
1.90000214 6.99868064 17.24406529
-0.00013877 0.00084192 -0.00011265
0.00678835 -0.00661638 0.00375058
-13.42493974 8.67510838 -8.44570438
-0.00033030 -0.00026050 0.00053079
0.05906201 -0.00106214 0.00796173
-15.97372418 8.08677612 -7.56674059
0.00035580 0.00015190 0.00006994
-0.00040777 0.01154323 -0.01329108
5.22846961 10.25572653 0.56303268
0.00137163 0.00070285 -0.00121224
-0.01212448 -0.01561322 -0.00588247
2.55222648 9.37378398 1.74077546
-0.00163363 -0.00004425 0.00060537
0.01592261 -0.00428770 -0.02976805
14.20975800 -24.13716456 -25.49932689
0.00060136 0.00047377 0.00026801
-0.00882538 0.00185583 -0.00027397
14.99144831 -23.43803036 -28.21048906
-0.00035991 -0.00043453 -0.00115972
-0.00278272 -0.00004082 -0.00511427
4.89104437 3.29810700 -1.12951885
-0.00077403 -0.00023162 -0.00043059
-0.01522620 0.00133599 -0.00134209
4.95234404 5.87284996 0.22443981
-0.00059962 -0.00038711 -0.00025077
-0.00366734 0.01049305 0.00210391
16.95630734 -3.87157520 -0.51655878
-0.00045998 0.00003646 0.00017591
0.00933567 0.03399420 -0.01086529
16.79936025 -6.57943196 -0.81337947
0.00018074 0.00055589 0.00046107
-0.01121962 -0.02624099 -0.01004097
-5.75080931 3.39493311 -1.53289380
-0.00068840 -0.00098898 0.00007250
0.02778092 -0.02871062 -0.04127976
-5.02696253 0.83950774 -3.21237212
-0.00015038 0.00076460 -0.00033977
-0.00394172 0.01302410 -0.00035407
2.50040109 2.87238993 -11.13959849
-0.00054507 -0.00006301 -0.00080908
0.00249571 0.00068130 -0.00589065
-0.07036948 1.54185876 -10.51864216
-0.00048132 0.00076503 -0.00057817
0.02619031 0.01048457 -0.03549258
16.75919584 7.75786114 -8.35978761
-0.00096973 -0.00071162 0.00118150
0.00616409 0.01279206 0.00291186
16.55082608 10.64882276 -7.40165892
-0.00102855 0.00058170 0.00081915
-0.00078233 -0.00379275 -0.00375432
-6.36077124 0.50940979 10.92884732
-0.00066464 -0.00037100 -0.00023577
0.00407084 -0.00943366 -0.02249683
-7.79252544 1.68773201 12.98624172
0.00086731 0.00021626 -0.00020641
-0.01139687 0.00402096 0.01905485
-2.20603667 -16.06146446 13.98726717
0.00016159 -0.00190056 -0.00059111
-0.00998688 -0.00954343 0.00041360
-4.20677835 -17.89330815 12.56116456
-0.00010970 0.00186122 0.00017565
0.00804743 -0.00017742 0.00597290
7.18359989 -6.45939300 -4.12344958
0.00006442 0.00034680 -0.00053162
-0.00512783 -0.00313169 -0.01363099
5.64339872 -8.31939816 -5.93570404
0.00015099 0.00062016 -0.00134417
-0.00182868 0.00158608 0.00363476
-2.83806529 -11.70865677 2.44911824
-0.00002024 0.00030815 -0.00031811
-0.01621633 -0.00095333 0.00475913
-0.31261463 -10.38414090 2.83736436
0.00046583 -0.00011895 -0.00022588
0.00516812 0.01315639 0.00384178
-15.08044775 -0.91763148 5.87888549
0.00152180 0.00020265 -0.00032499
0.00468039 0.00566987 0.00394458
-16.16870940 -1.66570893 3.12329103
0.00016870 -0.00036477 -0.00011105
0.00483701 -0.00017254 0.02911405
-9.58456045 4.91804486 -23.05589734
-0.00018165 0.00003160 -0.00042920
0.00291899 0.00123099 0.00285605
-8.99632949 4.82501168 -20.15646163
-0.00001856 -0.00000358 0.00027040
-0.00027736 -0.00877211 -0.01798127
2.02603102 1.49497636 -3.17518499
-0.00044181 0.00002756 -0.00092133
-0.01104722 -0.01068943 0.02093782
0.77454311 0.72838307 -0.43342503
0.00045481 -0.00055742 -0.00065278
-0.03809218 -0.01052184 0.00602454
13.71381379 9.81763838 4.09278970
0.00086272 0.00032745 -0.00086846
0.00611374 0.00468938 -0.00226027
11.35147953 9.47090617 2.58748713
0.00054201 -0.00009030 0.00025532
-0.02011361 0.01406227 -0.02849030
5.47872554 -9.01331326 -10.66304714
-0.00005752 -0.00026698 0.00013302
-0.00066564 -0.00032923 0.00225962
-13.02474600 10.44035051 21.13577258
-0.00003980 -0.00004047 0.00014623
0.01004528 0.00010481 -0.00144204
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06933847
0.33418825
445.28908306
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1892266090
ExchangeOperator: bisection time: 1.875 s
total exchange = -52.3974475369 (a.u.)
total exchange computation time: 3.5343201160 s
-154.2185488184
-931.40287140
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1892266090
ExchangeOperator: bisection time: 1.878 s
total exchange = -52.3968696410 (a.u.)
total exchange computation time: 3.5376501083 s
-154.2240695148
Anderson extrapolation: theta=1.3452286724 (1.3452286724)
-931.40309527
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1892266090
ExchangeOperator: bisection time: 1.873 s
total exchange = -52.3959779007 (a.u.)
total exchange computation time: 3.5353009701 s
-154.2323852162
Anderson extrapolation: theta=0.0503128115 (0.0503128115)
-931.40322771
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1892266090
ExchangeOperator: bisection time: 1.875 s
total exchange = -52.3958437120 (a.u.)
total exchange computation time: 3.5355081558 s
-154.2335370122
Anderson extrapolation: theta=1.8959549462 (1.8959549462)
-931.40323232
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1892266090
ExchangeOperator: bisection time: 1.877 s
total exchange = -52.3955627960 (a.u.)
total exchange computation time: 3.5359611511 s
-154.2358904738
Anderson extrapolation: theta=0.2097713231 (0.2097713231)
-931.40323684
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1892266090
ExchangeOperator: bisection time: 1.876 s
total exchange = -52.3954956471 (a.u.)
total exchange computation time: 3.5349538326 s
-154.2364065360
Anderson extrapolation: theta=1.8903354964 (1.8903354964)
-931.40323760
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1892266090
ExchangeOperator: bisection time: 1.878 s
total exchange = -52.3953884973 (a.u.)
total exchange computation time: 3.5346021652 s
-154.2371826796
Anderson extrapolation: theta=0.2814239178 (0.2814239178)
-931.40323847
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1892266090
ExchangeOperator: bisection time: 1.878 s
total exchange = -52.3953788258 (a.u.)
total exchange computation time: 3.5352780819 s
-154.2372049103
Anderson extrapolation: theta=1.3335652677 (1.3335652677)
-931.40323866
239.288851 32.682572 201.437722
-141.072508 489.707156 -803.614059
98.216344 522.389727 -602.176337
803.214677
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1892266090
ExchangeOperator: bisection time: 1.874 s
total exchange = -52.3953815137 (a.u.)
total exchange computation time: 3.5345239639 s
679.28693266
-1084.30917452
89.61886231
-388.73094433
-174.87353337
78.60924889
551.60419304
0.00000000
-931.40323876
-8.80701054 -3.75403997 3.28054058
0.00021876 -0.00032976 0.00019576
0.02871809 -0.03181631 0.04367964
-17.90885823 4.68539948 6.63361958
-0.00000470 -0.00044532 -0.00019343
0.01405120 0.02005040 0.00362770
-15.68814373 -0.95505045 0.58685131
0.00003358 0.00003038 -0.00005642
-0.02704246 -0.05685498 -0.04342312
3.52381197 -20.68388444 15.73668296
-0.00025006 0.00002363 -0.00021208
0.03158582 0.00629772 0.01817005
7.37620853 15.84842491 -1.28809900
0.00022363 0.00025264 -0.00013241
0.00066447 0.00679143 0.01245340
-9.74019547 9.69882267 11.07326315
-0.00001209 -0.00021233 0.00021774
-0.00653942 0.00449559 0.00913794
-8.05616453 -0.68382606 -14.09537650
-0.00016969 0.00021463 -0.00024737
0.02712224 0.03088403 0.03568297
-10.80991535 2.12662729 -7.37514084
-0.00012797 0.00021062 0.00055793
0.03150416 0.04218011 0.00878872
-0.18529959 -5.73955698 15.05662240
-0.00002940 -0.00003370 0.00032467
0.01346890 0.00620840 0.01858727
-25.28168087 -0.54503084 -20.83506312
-0.00041599 -0.00009528 0.00022247
0.00128736 0.01495018 0.00391918
8.89533364 7.50808696 7.85221868
-0.00007457 0.00000080 0.00003873
-0.01336196 -0.01454485 0.00009590
20.76550730 28.77137036 -4.82575474
-0.00003945 0.00017093 -0.00016343
-0.00353311 0.00811888 -0.00675680
7.77008956 -1.61744453 -7.17888364
0.00000318 -0.00003406 -0.00008402
-0.01981823 -0.00607061 0.00334412
-9.53966483 -3.58831158 13.12377362
0.00027187 0.00017220 0.00054770
-0.02065035 0.01171654 0.01281325
-1.40500664 -22.73355989 13.85630673
0.00018794 -0.00009318 0.00005380
-0.00096135 0.00851351 -0.00073383
-11.08823223 -8.67764768 -8.37633429
-0.00010206 -0.00020171 0.00034344
0.02473871 0.06908566 -0.02989822
-16.00273965 -8.52692623 -15.58218150
0.00023428 -0.00014844 0.00013559
-0.01741845 -0.00462605 0.00390959
16.40636982 12.54961975 3.48269474
0.00037237 0.00021348 0.00016955
-0.00374779 -0.01051053 0.01562710
20.38941554 -4.61991201 -14.72377011
-0.00033604 0.00006573 0.00003857
-0.02106823 -0.00847059 -0.00179591
-0.72277676 8.13409435 -14.79755805
0.00039783 0.00015083 -0.00019738
-0.00378119 0.01111431 0.00843677
0.84017499 -0.91010119 -16.66366394
-0.00006637 0.00014095 -0.00035458
0.00994090 0.01289364 0.00012288
11.51982146 21.12628569 -23.06390800
0.00023609 -0.00026660 -0.00018692
0.03243930 0.03949375 0.00269754
-11.28311689 15.13619962 -15.93829410
0.00011379 0.00026523 -0.00046555
0.01478829 0.00467301 0.00637868
4.28002761 17.45747811 11.04649458
0.00012831 0.00029599 -0.00032929
-0.00785773 0.00166146 0.00827079
-2.04999910 -11.07293230 -3.51848597
-0.00020619 -0.00015848 -0.00026228
0.06198265 -0.01097012 0.02468817
1.21478011 -7.91675448 3.69138110
-0.00019920 -0.00048939 -0.00003102
-0.01812303 0.03311960 0.01582363
9.56646150 1.75893167 8.04752950
0.00014563 0.00026926 0.00020600
0.00286382 -0.01618135 0.00483676
-6.98867331 -9.51777498 -2.92680739
0.00024192 0.00019330 -0.00007275
-0.00206803 0.01659610 -0.02550163
3.94904209 -12.59823869 -12.90453605
-0.00007021 0.00027164 -0.00014381
-0.01637659 -0.00917130 -0.00096829
1.10236744 -4.65117980 -1.07452090
0.00015330 0.00008084 0.00018596
-0.01255178 0.03662954 -0.01778835
16.77200156 4.38463744 27.36194220
0.00034186 0.00022147 -0.00035553
0.01352418 0.02802529 -0.01872424
-9.60137459 6.29241411 -4.52964076
0.00002079 -0.00044440 0.00015886
-0.00753358 -0.03797376 0.01299544
-5.15010035 14.90633705 -9.04363683
0.00025270 0.00005395 -0.00032046
0.00929001 -0.00263891 0.00506313
3.09920255 12.18739663 -6.83244699
-0.00007182 -0.00001526 0.00001034
-0.01184527 -0.01051794 0.00229847
-4.34645792 11.74268291 -13.76135513
0.00033531 0.00018775 -0.00006000
0.01599300 -0.00796195 -0.00590658
3.76807005 7.19324726 17.45154553
0.00029107 -0.00004814 -0.00011373
-0.02086723 0.00441886 -0.01091177
-15.05924767 8.84721258 -9.01745864
-0.00051145 -0.00007244 -0.00032218
-0.05105159 -0.01296562 0.01432875
3.74203987 9.13499335 0.29249550
-0.00005843 0.00029147 0.00038987
-0.00333443 0.01745253 0.03306001
15.66228338 -23.98831367 -26.61827128
0.00031290 -0.00008500 -0.00005611
0.00560384 -0.00231246 0.00443167
5.85532020 4.31063112 0.00902268
-0.00014523 -0.00015225 0.00030482
0.02451127 -0.01288962 0.00435509
16.96804862 -5.33808337 0.47318326
0.00021456 0.00007750 -0.00014338
0.01300347 -0.00616560 0.01566459
-4.47814886 2.58832931 -2.81190323
-0.00034568 -0.00031028 0.00028899
-0.02419534 0.02893072 0.04308006
0.98005465 2.31376502 -11.95481194
-0.00005817 0.00013745 0.00042751
-0.03255913 -0.01665628 0.02211044
15.65779551 9.05728829 -7.51765224
-0.00017242 -0.00022779 0.00002966
-0.00096140 -0.00789812 0.00631122
-6.15418803 0.96075823 12.67178076
-0.00040058 -0.00002113 0.00040577
0.01010079 0.00391404 -0.00911096
-3.41526429 -16.23360859 12.57239536
-0.00022370 0.00010652 0.00050737
0.00397287 0.01294630 -0.00876822
6.99377944 -7.05582608 -5.91093414
-0.00001210 0.00008045 -0.00015733
0.01223466 0.01462669 -0.00660439
-1.19457532 -11.52909315 1.72723188
0.00015894 0.00007053 -0.00028564
0.00588398 -0.01869296 -0.02014653
-16.43083405 -1.79557536 5.06300981
0.00021540 0.00002910 0.00020408
-0.00397620 -0.00644896 -0.00884937
-8.94665122 3.79556819 -21.74572760
-0.00029625 -0.00052746 -0.00047469
0.00096118 0.01654330 0.01334619
2.18143558 1.27997312 -1.31941770
0.00004571 -0.00006266 0.00025269
0.04291053 0.01514301 -0.04541565
12.34441707 8.66244190 3.82406894
0.00008816 -0.00036351 0.00004949
0.01769229 -0.01651929 0.02473838
-7.25332447 -4.28600764 2.31279657
-0.00035750 0.00076218 0.00087679
-0.02804825 0.00657935 -0.00007839
-9.85477961 -2.56134077 2.50867001
-0.00117299 -0.00160560 0.00014526
-0.00991338 0.02106769 -0.03089310
-16.69569746 6.07837106 6.91070702
0.00067395 0.00018485 -0.00001648
-0.01168459 -0.00707348 0.00403846
-17.00484880 3.80509234 5.34393102
-0.00005491 0.00003302 0.00014762
-0.00307561 -0.01154813 -0.01102969
-15.67345148 0.82741871 0.75531338
-0.00047285 0.00099132 0.00008239
-0.01061268 0.03070235 -0.00483847
-17.22227964 -1.57993256 -0.46759163
0.00086321 -0.00092024 0.00093343
0.03519660 0.03026987 0.02551962
1.98663401 -21.25859854 14.96728329
-0.00109876 0.00014556 -0.00014659
-0.01140304 0.01384161 -0.00895424
4.05295573 -18.89738272 15.73460034
-0.00045747 0.00007629 0.00002196
-0.02504421 -0.01366217 -0.00559610
8.39302398 14.30793560 -1.21485850
0.00028772 -0.00016681 -0.00060644
-0.00040867 -0.00859907 0.00690487
7.79385670 16.83286977 0.18273991
-0.00086340 -0.00095922 0.00003634
0.00149389 0.00016092 -0.00168379
-8.62126620 9.03095640 12.40384294
0.00014825 0.00032253 -0.00026911
0.00082733 0.00450661 -0.00894562
-10.39630344 11.17855997 12.07769840
-0.00059796 0.00085584 -0.00066875
0.00056045 -0.01220400 -0.01423051
-9.64350497 0.18874346 -13.97538316
-0.00140238 0.00017262 -0.00109836
-0.01792368 0.00488138 -0.00707389
-8.22945382 -2.03811215 -15.19032995
-0.00014879 -0.00018500 0.00057549
-0.00826161 -0.03231658 -0.03440943
-12.16526226 1.14357501 -6.78918004
-0.00039612 0.00002442 -0.00094315
-0.01830159 -0.01957573 0.00910002
-10.43577024 3.47737366 -6.04509217
-0.00022058 0.00070008 0.00075748
-0.00654087 -0.01682174 -0.02225458
-1.85545356 -6.09906192 14.46805841
-0.00051308 0.00038909 -0.00012347
-0.01892691 -0.01087283 -0.00308003
-0.22301737 -5.80723965 16.90853604
-0.00010136 0.00011196 -0.00043094
-0.00181763 0.00437625 -0.00932166
-24.65548987 -0.41733341 -19.10679923
-0.00118778 -0.00045002 -0.00054305
0.00346126 0.00079853 -0.00747315
-25.61882748 1.17748191 -21.45617825
-0.00002551 -0.00043398 0.00028681
0.00519028 -0.01742753 -0.00039613
9.59808119 8.59549778 6.58560094
-0.00052719 0.00117551 0.00004637
0.01261516 -0.00057726 -0.00753244
10.05512252 7.60749698 9.26083603
0.00018646 -0.00014696 0.00002762
0.00516498 0.01079020 0.00298578
19.76483272 27.40782579 -4.09573370
-0.00009696 -0.00015914 -0.00010428
-0.00033350 -0.00008398 0.00183971
20.06189398 30.49974580 -4.28409561
0.00010538 -0.00027594 -0.00023891
0.01211914 -0.01756673 -0.00238398
6.46383200 -0.31767705 -6.82627915
-0.00068012 0.00072597 0.00020645
0.00600116 -0.01808523 -0.00583143
6.82427166 -3.24836511 -7.22510682
0.00094240 0.00000830 -0.00010604
0.01315393 0.01658545 0.00155141
-8.60833937 -2.38023109 12.11223925
0.00090303 0.00040498 -0.00021501
-0.00956519 -0.00002932 0.00122810
-10.99088718 -2.66249971 13.98619797
-0.00048631 -0.00103221 -0.00067519
0.02532654 -0.01635673 -0.02074142
-1.42289537 -24.44997692 14.44598580
-0.00060961 0.00075385 0.00105563
0.01014342 -0.01192277 0.00263767
-3.14261123 -22.39392263 13.37903772
0.00053694 0.00023750 0.00019039
-0.00187844 0.00474328 0.00673685
-12.35735680 -7.82669881 -7.26881901
0.00154906 0.00066863 -0.00020150
-0.00463309 -0.01230694 -0.00330488
-10.29907392 -7.08873294 -9.35770296
-0.00028044 0.00001251 -0.00027455
-0.02703781 -0.05020439 0.03945354
-16.05534736 -10.32806126 -15.25892293
-0.00041199 0.00072054 -0.00123317
-0.00155094 0.00072796 -0.00300022
-14.30739471 -8.06996117 -16.10904893
0.00015630 0.00005717 -0.00022681
0.01096147 0.00295513 -0.00056322
16.69843741 12.56861778 5.31408531
0.00035816 0.00019347 -0.00015716
0.00053520 -0.00168010 -0.00245461
17.34922668 13.98041115 2.93824182
0.00055734 0.00037319 -0.00055962
0.00288945 0.01229087 -0.00916389
18.77880445 -3.86460607 -15.19896601
-0.00116174 -0.00063972 0.00031097
0.00690467 -0.00965494 0.00452312
21.54360917 -3.36223818 -15.37668243
0.00059717 0.00042679 -0.00034934
0.01344715 0.01513463 -0.00268960
-1.92316182 7.27132191 -13.77181978
0.00056711 -0.00009414 0.00023830
-0.01541362 -0.00352354 0.01704317
0.08218587 6.69193563 -15.46853533
-0.00010150 0.00019743 -0.00080850
0.02162450 -0.01664465 -0.02126221
1.02424046 0.38129099 -15.35079345
-0.00003492 0.00032515 -0.00055749
-0.00512046 -0.00230676 0.00090611
2.65023940 -1.13522316 -17.15147645
-0.00131981 0.00057424 -0.00044439
-0.00541175 -0.00306342 0.00621608
12.07707681 23.01957196 -22.77422484
0.00058765 0.00002013 0.00048448
-0.02757585 -0.04817928 -0.00156526
9.70855642 20.88815925 -23.20878676
0.00085846 0.00052364 0.00024837
0.00102715 0.01258826 0.00229238
-10.14340202 16.29119984 -16.98406765
0.00012404 -0.00044401 -0.00022022
-0.01136998 -0.01452083 0.01627868
-10.63795335 14.70914053 -14.24468871
-0.00084227 0.00050662 0.00016601
-0.00015155 0.01048742 -0.02651068
2.67511681 18.30401718 11.10736636
0.00165092 0.00015287 0.00037008
-0.00712745 -0.00234109 0.01111595
4.73198718 17.81762308 9.35535564
0.00030830 0.00016975 -0.00010845
0.01490917 0.00160851 -0.02354557
-3.66916724 -10.42817420 -3.38455889
0.00107927 -0.00002767 0.00142956
-0.04971077 0.01765990 0.00838321
-1.33614421 -11.05480990 -1.72187900
-0.00075159 -0.00012749 -0.00010971
-0.01592626 -0.00198586 -0.02519690
0.37604982 -6.65070359 4.81255646
-0.00033318 -0.00038656 -0.00008108
0.00265521 -0.01926097 -0.01256927
2.91373174 -7.86454621 4.28059592
0.00060879 -0.00084954 0.00046155
0.02379570 -0.00485874 0.00824238
9.00240972 2.05060204 9.74758074
-0.00177159 0.00016613 -0.00035688
-0.00290005 -0.00181481 0.00452509
9.46120003 3.38998224 7.29476833
0.00026277 -0.00023812 0.00017643
0.00006765 0.02035647 -0.00714527
-7.73777604 -9.03152018 -4.57464269
-0.00108694 0.00017864 0.00002492
0.00545549 -0.00550791 0.02254723
-8.37111272 -10.18384028 -1.95341002
0.00063113 0.00047978 -0.00082662
-0.00898517 -0.00453699 0.00343400
4.98832310 -13.81103958 -12.00580565
0.00028349 0.00004210 0.00051008
-0.00005734 0.00457628 -0.00172601
2.26186486 -13.37097791 -13.15475464
0.00007042 0.00032155 -0.00119971
0.01368088 0.01040964 -0.00059063
1.29720362 -6.04630314 -0.03593783
-0.00009872 0.00014099 0.00015343
0.01322933 -0.04319908 0.02453144
-0.14150946 -3.74873584 -0.07898516
0.00010828 0.00030728 -0.00004649
-0.00203445 0.00670911 -0.00835505
17.51160271 3.64888975 25.87161444
0.00024442 -0.00042635 -0.00058937
-0.00134117 0.00154207 0.00248697
16.19591036 3.01538950 28.30534070
0.00047519 0.00006538 0.00101519
-0.01359682 -0.03100815 0.01916497
-11.05375309 7.25349048 -4.08096312
0.00087212 0.00008923 -0.00059273
-0.01003791 0.01831632 0.00449149
-8.51364199 7.22340924 -5.62470118
-0.00053280 0.00012197 -0.00029750
0.01227793 0.02203563 -0.00695607
-6.38812630 16.21277575 -9.30182014
-0.00014513 0.00005298 0.00037334
-0.00280864 0.00099206 0.00165405
-4.75528436 14.17079731 -10.67131536
0.00014763 -0.00011072 -0.00044072
-0.00045367 -0.00093126 -0.00527498
3.00067999 10.41213421 -6.22497403
-0.00011580 -0.00037800 0.00077323
-0.00194043 0.02204987 -0.00221030
1.52540658 13.13114199 -6.50021060
-0.00064418 0.00058877 -0.00064982
0.01265441 -0.01267691 -0.00403037
-2.70463996 10.91453244 -14.33583882
-0.00025600 0.00033534 0.00034362
-0.03910581 0.00828721 0.01208484
-5.72114229 10.51360589 -13.56679198
0.00062244 -0.00008281 0.00013017
0.01591622 0.00213562 0.00127614
3.83987508 7.97003412 19.12312743
0.00036938 0.00030622 0.00021181
0.00681381 -0.00149940 0.00359778
1.89812854 7.01110671 17.24249053
-0.00010731 0.00081432 -0.00009694
0.00861165 -0.00689397 0.00393767
-13.42808437 8.67116840 -8.43749856
-0.00009941 -0.00026293 0.00055798
0.05396033 -0.00012889 0.00534691
-15.96839974 8.08940836 -7.56609880
0.00034960 0.00019777 0.00001741
-0.00262586 0.01090892 -0.01241965
5.24867254 10.26579084 0.54466879
0.00130998 0.00063206 -0.00123409
-0.01805354 -0.01904120 -0.00481398
2.52820997 9.37298888 1.74894378
-0.00155736 -0.00006071 0.00047505
0.02141382 -0.00377035 -0.03402416
14.21850794 -24.13000110 -25.49531513
0.00056397 0.00048115 0.00026670
-0.00947541 0.00175722 -0.00036853
14.98596435 -23.44454958 -28.22804156
-0.00036535 -0.00044007 -0.00116430
0.00012303 -0.00266951 0.00287354
4.87896728 3.29467369 -1.13601887
-0.00082812 -0.00021955 -0.00042727
-0.01124956 0.00456916 0.00297085
4.94323741 5.86736480 0.22074278
-0.00061428 -0.00034282 -0.00024088
-0.00350895 0.01118798 0.00273340
16.94969376 -3.86998666 -0.51425313
-0.00042217 0.00017736 0.00013003
0.00916907 0.03498083 -0.01158951
16.80172750 -6.57189765 -0.80677114
0.00013414 0.00044065 0.00041119
-0.01158998 -0.03017156 -0.01437634
-5.76028398 3.37921862 -1.53307119
-0.00057580 -0.00110394 -0.00009445
0.02733500 -0.02756064 -0.04044636
-5.02933902 0.85137580 -3.21747959
-0.00016932 0.00080625 -0.00034385
-0.00533081 0.00736334 -0.00163961
2.49230157 2.87146564 -11.15191519
-0.00052125 -0.00005540 -0.00082440
0.00916103 0.00304544 -0.00161066
-0.07678670 1.55365551 -10.52840237
-0.00037611 0.00080535 -0.00071668
0.02530979 0.00925076 -0.03230661
16.74483883 7.74757880 -8.34197596
-0.00093825 -0.00066013 0.00119059
0.00924319 0.01241240 0.00154218
16.53537388 10.65743204 -7.38948678
-0.00103212 0.00055982 0.00080252
-0.00096541 -0.00691686 -0.00438541
-6.37061604 0.50355566 10.92462141
-0.00064645 -0.00040644 -0.00031588
0.00483171 -0.00791179 -0.01671827
-7.77986507 1.69109908 12.98372944
0.00080494 0.00024007 -0.00012514
-0.01913383 0.00763777 0.02072981
-2.20391879 -16.09026531 13.97841322
0.00012655 -0.00193547 -0.00058291
-0.00716567 -0.00754436 0.00360119
-4.20817721 -17.86539522 12.56398236
-0.00008787 0.00183753 0.00019833
0.00263611 -0.01142272 0.00512776
7.18440910 -6.45428703 -4.13184153
0.00004207 0.00033366 -0.00058468
-0.00581318 -0.00329772 -0.01234332
5.64560752 -8.31004720 -5.95575522
0.00013858 0.00062248 -0.00132701
-0.00424688 -0.00044821 0.00476438
-2.83886587 -11.70406379 2.44449242
-0.00008388 0.00030462 -0.00029921
-0.01493499 -0.00077452 0.00449299
-0.30546888 -10.38552193 2.83409382
0.00048602 -0.00006529 -0.00021057
0.00471715 0.01311050 0.00365326
-15.05747729 -0.91441798 5.87413157
0.00153035 0.00021902 -0.00031489
-0.00049450 0.00234449 0.00099783
-16.16603062 -1.67118575 3.12251740
0.00018810 -0.00036500 0.00000960
0.00465770 0.00006081 0.02994370
-9.58719575 4.91855658 -23.06224788
-0.00016855 0.00003407 -0.00041505
0.00349115 -0.00002252 0.00407317
-8.99661636 4.82468923 -20.15295664
-0.00001954 -0.00004518 0.00018820
-0.00020295 -0.01159195 -0.02225395
2.01906534 1.49506222 -3.18836338
-0.00048388 -0.00001778 -0.00082109
-0.00954738 -0.01150332 0.02813145
0.78019804 0.71969940 -0.44303209
0.00028989 -0.00060459 -0.00062166
-0.04264092 -0.01256768 0.00920826
13.72694192 9.82269382 4.07969355
0.00087754 0.00033685 -0.00087881
0.00113942 -0.00008584 -0.00280883
11.35899339 9.46998255 2.59044388
0.00045654 -0.00003189 0.00013597
-0.02172530 0.01453145 -0.02993276
5.47786091 -9.01731888 -10.66104573
-0.00005779 -0.00026707 0.00013381
-0.00085129 -0.00015628 0.00213096
-13.02532549 10.43974367 21.13796352
-0.00003749 -0.00004043 0.00014589
0.00982112 0.00025321 -0.00147318
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06933986
0.33389889
444.90353664
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1892266090
ExchangeOperator: bisection time: 1.873 s
total exchange = -52.3977806237 (a.u.)
total exchange computation time: 3.5341548920 s
-154.2177251038
-931.40174732
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1892266090
ExchangeOperator: bisection time: 1.876 s
total exchange = -52.3971993743 (a.u.)
total exchange computation time: 3.5372679234 s
-154.2232626233
Anderson extrapolation: theta=1.3453408808 (1.3453408808)
-931.40197109
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1892266090
ExchangeOperator: bisection time: 1.873 s
total exchange = -52.3963035760 (a.u.)
total exchange computation time: 3.5345988274 s
-154.2316108638
Anderson extrapolation: theta=0.0503368191 (0.0503368191)
-931.40210352
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1892266090
ExchangeOperator: bisection time: 1.876 s
total exchange = -52.3961693833 (a.u.)
total exchange computation time: 3.5376241207 s
-154.2327733587
Anderson extrapolation: theta=1.8941285407 (1.8941285407)
-931.40210813
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1892266090
ExchangeOperator: bisection time: 1.876 s
total exchange = -52.3958884279 (a.u.)
total exchange computation time: 3.5355300903 s
-154.2351511420
Anderson extrapolation: theta=0.2090932648 (0.2090932648)
-931.40211264
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1892266090
ExchangeOperator: bisection time: 1.875 s
total exchange = -52.3958211412 (a.u.)
total exchange computation time: 3.5343620777 s
-154.2356751472
Anderson extrapolation: theta=1.8893803052 (1.8893803052)
-931.40211340
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1892266090
ExchangeOperator: bisection time: 1.874 s
total exchange = -52.3957134488 (a.u.)
total exchange computation time: 3.5352020264 s
-154.2364673178
Anderson extrapolation: theta=0.2815100838 (0.2815100838)
-931.40211424
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1892266090
ExchangeOperator: bisection time: 1.877 s
total exchange = -52.3957033130 (a.u.)
total exchange computation time: 3.5348968506 s
-154.2364950221
Anderson extrapolation: theta=1.3365569811 (1.3365569811)
-931.40211441
239.274935 32.762259 201.409894
-141.089371 489.747277 -803.674646
98.185564 522.509536 -602.264752
803.355122
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1892266090
ExchangeOperator: bisection time: 1.877 s
total exchange = -52.3957051339 (a.u.)
total exchange computation time: 3.5345411301 s
679.29525330
-1084.31883484
89.61617668
-388.72468689
-174.87431761
78.61388712
551.60419304
0.00000000
-931.40211450
-8.80361830 -3.75910907 3.28364552
0.00023223 -0.00034541 0.00021896
0.02364595 -0.02905075 0.04652289
-17.90887459 4.67879706 6.63073214
0.00000298 -0.00043338 -0.00019055
0.01583462 0.02638095 0.00757107
-15.68774441 -0.95481411 0.58583744
0.00002072 0.00000351 -0.00007773
-0.02296543 -0.04762693 -0.03942923
3.52018292 -20.68350572 15.73357184
-0.00023503 0.00002639 -0.00020334
0.02685081 0.00442999 0.01582675
7.37956549 15.85224070 -1.29003706
0.00022398 0.00025470 -0.00012734
0.00073024 0.00124211 0.00725970
-9.74040197 9.69565509 11.07656450
-0.00001626 -0.00020904 0.00022201
-0.00968660 0.00828591 0.00745257
-8.05860520 -0.68048748 -14.09894939
-0.00015755 0.00023166 -0.00022886
0.02008947 0.03533511 0.03629781
-10.81171342 2.12994928 -7.36673796
-0.00011138 0.00023276 0.00056250
0.03301520 0.04393487 0.00898767
-0.18568864 -5.74003848 15.06156408
-0.00002346 -0.00003073 0.00033243
0.00962213 0.00534225 0.01159157
-25.28791572 -0.54640231 -20.83171095
-0.00041583 -0.00008837 0.00022295
-0.00066060 0.01189622 -0.00203890
8.89416354 7.50804285 7.85280007
-0.00008086 -0.00000600 0.00003821
-0.01107763 -0.01191036 -0.00211798
20.76490189 28.77396556 -4.82823222
-0.00004130 0.00017405 -0.00016677
-0.00365673 0.00404272 -0.00622301
7.77006084 -1.61797878 -7.18013109
-0.00000745 -0.00003530 -0.00008205
-0.02150686 0.00124263 0.00432209
-9.53566642 -3.58568335 13.13203851
0.00026272 0.00017848 0.00055286
-0.01491833 0.01268281 0.00727749
-1.40219120 -22.73492475 13.85711096
0.00018792 -0.00008814 0.00005330
0.00085848 0.01108642 -0.00124414
-11.08966775 -8.68040681 -8.37129799
-0.00008821 -0.00016641 0.00032698
0.02913013 0.06818753 -0.03411625
-15.99929268 -8.52917067 -15.58013257
0.00022557 -0.00014862 0.00013716
-0.01644322 0.00393984 0.00219914
16.41194091 12.55278138 3.48529832
0.00037080 0.00020877 0.00017664
-0.00235514 -0.00778157 0.01192723
20.38429369 -4.61895873 -14.72319856
-0.00034615 0.00006259 0.00003698
-0.01826875 -0.00372923 -0.00435862
-0.71682383 8.13639963 -14.80048620
0.00039550 0.00015617 -0.00019271
-0.00530574 0.00964639 0.00971727
0.83921785 -0.90793727 -16.66898218
-0.00006289 0.00014780 -0.00035399
0.00355681 0.01374924 0.00215851
11.52348800 21.12243906 -23.06670146
0.00025422 -0.00024577 -0.00018522
0.03804514 0.04148331 0.00392244
-11.28135298 15.14019610 -15.94525276
0.00012082 0.00026699 -0.00046157
0.01255200 0.00216441 0.00909490
4.28192192 17.46192434 11.04158717
0.00012685 0.00029534 -0.00032489
0.00218044 -0.00417904 0.00885041
-2.05285281 -11.07535185 -3.52232492
-0.00017259 -0.00016476 -0.00024954
0.06865329 -0.01343115 0.02484882
1.21172214 -7.92396762 3.69097688
-0.00020662 -0.00047230 -0.00002223
-0.01070688 0.03334747 0.01833880
9.56865704 1.76290811 8.05063815
0.00014706 0.00026017 0.00020901
0.00268077 -0.01913833 0.00687300
-6.98505253 -9.51481139 -2.92799707
0.00024132 0.00020251 -0.00008734
-0.00023692 0.01921941 -0.03123453
3.94792574 -12.59419951 -12.90669690
-0.00007779 0.00026627 -0.00014380
-0.01310870 -0.01171477 0.00098259
1.10461849 -4.64982588 -1.07180007
0.00014687 0.00009969 0.00017685
-0.01244724 0.03666106 -0.01766734
16.77718159 4.38806755 27.35653707
0.00034838 0.00023397 -0.00036462
0.01182929 0.02060459 -0.01665309
-9.60109177 6.28560166 -4.52720777
0.00001818 -0.00046382 0.00016480
-0.00264288 -0.03754085 0.01011671
-5.14627398 14.90713618 -9.04842421
0.00025731 0.00005270 -0.00031803
0.00863647 -0.00224248 0.00439872
3.09807951 12.18712710 -6.83228308
-0.00007876 -0.00002088 0.00001190
-0.01511629 -0.01131492 0.00378534
-4.34136664 11.74546840 -13.76227788
0.00034267 0.00018397 -0.00006270
0.01263687 -0.00670594 -0.00461082
3.77235561 7.19254227 17.44979754
0.00027991 -0.00004547 -0.00011864
-0.02251726 0.00595602 -0.00817935
-15.06711632 8.84607596 -9.02223614
-0.00053524 -0.00007919 -0.00031430
-0.04146538 -0.01329413 0.01634433
3.74115058 9.13943279 0.29847108
-0.00005993 0.00030092 0.00040727
-0.00250334 0.01929303 0.03460292
15.66699852 -23.98959758 -26.61909581
0.00031513 -0.00008561 -0.00005573
0.00306268 -0.00004486 -0.00295291
5.85323632 4.30829763 0.01361180
-0.00013370 -0.00015974 0.00030590
0.02031728 -0.01622479 -0.00014407
16.97131721 -5.33694470 0.47109294
0.00022141 0.00007518 -0.00013443
0.01363288 -0.00284809 0.01915153
-4.48342741 2.58378674 -2.80740218
-0.00035737 -0.00029424 0.00031111
-0.02127638 0.03342790 0.04292346
0.97905652 2.31576245 -11.94831400
-0.00007619 0.00012874 0.00043671
-0.03750519 -0.01718664 0.01366147
15.65520557 9.05384094 -7.51718300
-0.00017365 -0.00023076 0.00003352
-0.00383099 -0.00363280 0.00870899
-6.16015771 0.96045631 12.67783213
-0.00039366 -0.00002055 0.00039912
0.01679456 -0.00162637 -0.01674138
-3.41860439 -16.23196081 12.57997209
-0.00022087 0.00011566 0.00050212
0.00702274 0.02258508 -0.01165433
6.99364507 -7.05456295 -5.91331962
-0.00000515 0.00008848 -0.00016127
0.01482412 0.01661669 -0.00870856
-1.19216855 -11.52810735 1.72286963
0.00016158 0.00006091 -0.00029576
0.00440191 -0.01871538 -0.01922589
-16.42761845 -1.79516379 5.06603691
0.00021477 0.00002660 0.00020016
0.00152813 -0.00327251 -0.00641177
-8.95109129 3.78772009 -21.75279640
-0.00029588 -0.00051805 -0.00046715
0.00048644 0.02005975 0.01594555
2.18228669 1.27909166 -1.31580259
0.00006810 -0.00005429 0.00022721
0.04418669 0.01740082 -0.05367232
12.34580775 8.65692552 3.82490664
0.00009870 -0.00037077 0.00006238
0.02326858 -0.01169570 0.02540463
-7.25954645 -4.27437331 2.32594607
-0.00046279 0.00078577 0.00086997
-0.02349255 0.00496541 -0.00326322
-9.87267823 -2.58477914 2.50990221
-0.00121229 -0.00152087 0.00001916
-0.00932442 0.02040774 -0.03083292
-16.68594627 6.08092705 6.91058355
0.00061861 0.00014745 -0.00000148
-0.01540627 -0.01123165 0.00330519
-17.00576676 3.80523372 5.34580733
-0.00006341 -0.00001849 0.00009634
-0.00108290 -0.01366244 -0.01407360
-15.68086938 0.84322936 0.75640097
-0.00051722 0.00109916 0.00006081
-0.01110720 0.02208466 -0.00572314
-17.20825302 -1.59280857 -0.45280816
0.00099984 -0.00079797 0.00103174
0.03168611 0.02958263 0.02260481
1.96980313 -21.25599105 14.96481001
-0.00113640 0.00020466 -0.00017870
-0.00702124 0.01509146 -0.00676033
4.04532621 -18.89665703 15.73475823
-0.00055918 0.00002162 -0.00000066
-0.02474412 -0.01309838 -0.00547429
8.39732731 14.30516999 -1.22374351
0.00028293 -0.00019723 -0.00057815
-0.00193698 -0.00629461 0.00694577
7.78095140 16.81848644 0.18323335
-0.00085427 -0.00095191 0.00003971
0.00297951 0.00341492 0.00333525
-8.61901705 9.03593241 12.39953217
0.00015410 0.00033983 -0.00030064
0.00203655 0.00396193 -0.00648713
-10.40525565 11.19102357 12.06723108
-0.00059223 0.00079873 -0.00072827
0.00224258 -0.01575089 -0.01490673
-9.66508983 0.19148230 -13.99207538
-0.00146191 0.00018630 -0.00112677
-0.01121836 0.00181627 -0.00683000
-8.23193886 -2.04187742 -15.18275202
-0.00018172 -0.00031936 0.00043411
-0.00785734 -0.03345380 -0.03479695
-12.17176489 1.14334153 -6.80304843
-0.00047225 -0.00005577 -0.00090448
-0.01896348 -0.01967842 0.00982762
-10.43927933 3.48735937 -6.03441189
-0.00024926 0.00062742 0.00066451
-0.00749776 -0.01874413 -0.02325560
-1.86372971 -6.09355870 14.46611193
-0.00058197 0.00034641 -0.00013309
-0.01479812 -0.01001892 -0.00162481
-0.22459351 -5.80542614 16.90178632
-0.00010922 0.00012925 -0.00045767
-0.00203068 0.00408579 -0.00376135
-24.67320053 -0.42405917 -19.11517403
-0.00116876 -0.00044582 -0.00055950
0.00585040 0.00125653 -0.00057869
-25.61905114 1.17043819 -21.45188820
-0.00000545 -0.00049985 0.00028314
0.00462905 -0.01481682 -0.00140362
9.59055997 8.61311275 6.58606570
-0.00047896 0.00116746 0.00002217
0.01099156 -0.00336112 -0.00431264
10.05807765 7.60562316 9.26134182
0.00020616 -0.00010286 0.00003782
0.00448201 0.01079789 0.00200898
19.76336808 27.40543609 -4.09724153
-0.00009591 -0.00015577 -0.00009808
0.00084717 0.00173491 0.00119361
20.06384599 30.49506841 -4.28775238
0.00015257 -0.00034427 -0.00024776
0.01098087 -0.01588273 -0.00194646
6.45381407 -0.30734167 -6.82336114
-0.00064770 0.00064207 0.00018024
0.00987071 -0.02298615 -0.00699773
6.83881078 -3.24773235 -7.22664986
0.00099101 0.00007109 -0.00009949
0.01063952 0.01414908 0.00165475
-8.59508699 -2.37415725 12.10905177
0.00085576 0.00039703 -0.00020193
-0.01357402 -0.00386610 0.00517333
-10.99740572 -2.67848412 13.97543455
-0.00038663 -0.00109320 -0.00075658
0.02346503 -0.01349507 -0.01909965
-1.43172870 -24.43903452 14.46190105
-0.00056805 0.00069876 0.00106881
0.01020132 -0.01504312 0.00381493
-3.13461462 -22.39021476 13.38210003
0.00052500 0.00025819 0.00021654
-0.00396612 0.00538171 0.00606354
-12.33426286 -7.81704647 -7.27194280
0.00152073 0.00062181 -0.00020731
-0.00923308 -0.01061235 0.00046356
-10.30410899 -7.09008375 -9.36061220
-0.00038955 -0.00019379 -0.00011305
-0.02637531 -0.05078100 0.03960180
-16.06157467 -10.31723085 -15.27751236
-0.00041839 0.00070689 -0.00124214
-0.00158229 -0.00741048 -0.00139352
-14.30471434 -8.06901313 -16.11246832
0.00019934 0.00006854 -0.00022889
0.01010841 0.00261419 -0.00045769
16.70382623 12.57146836 5.31165274
0.00036148 0.00018738 -0.00016308
0.00108923 -0.00130021 -0.00044653
17.35767528 13.98638558 2.92956676
0.00056476 0.00041705 -0.00059377
0.00074590 0.00918195 -0.00755663
18.76158993 -3.87449775 -15.19416293
-0.00112692 -0.00067941 0.00032980
0.01014151 -0.00977360 0.00469716
21.55297878 -3.35537249 -15.38200499
0.00064000 0.00047965 -0.00035584
0.00751804 0.01073640 -0.00049284
-1.91512746 7.26980184 -13.76772304
0.00050789 -0.00010610 0.00030504
-0.01357606 -0.00233032 0.01562644
0.08132597 6.69438698 -15.48131438
-0.00001394 0.00012997 -0.00089526
0.02123662 -0.01637428 -0.02120542
1.02355978 0.38609763 -15.35912804
-0.00005621 0.00031573 -0.00055344
-0.00530295 -0.00230723 0.00107861
2.63027635 -1.12670336 -17.15795186
-0.00132860 0.00055951 -0.00042334
0.00111049 -0.00415023 0.00408968
12.08504654 23.01839757 -22.76700564
0.00047461 -0.00017873 0.00047725
-0.02775595 -0.04916502 -0.00197263
9.72146479 20.89639962 -23.20499095
0.00085123 0.00057279 0.00025646
-0.00456654 0.01146848 0.00166592
-10.14188986 16.28409469 -16.98687211
0.00008163 -0.00049957 -0.00015631
-0.00938828 -0.01267363 0.01500759
-10.65059203 14.71706115 -14.24301087
-0.00084261 0.00055012 0.00005539
-0.00001672 0.01080635 -0.02764108
2.69966214 18.30623846 11.11325811
0.00160138 0.00015430 0.00041632
-0.01711838 0.00304164 0.01152077
4.73706856 17.82021859 9.35300739
0.00036925 0.00017687 -0.00020663
0.01492700 0.00187677 -0.02451237
-3.65450144 -10.42804805 -3.36285856
0.00085867 0.00005138 0.00146238
-0.05827386 0.02103629 0.00768141
-1.34790616 -11.05678311 -1.72429673
-0.00081194 -0.00013683 -0.00021186
-0.01361517 -0.00258483 -0.02480853
0.37113345 -6.65709220 4.81095510
-0.00032139 -0.00046556 -0.00013233
0.00311944 -0.01940855 -0.01251686
2.92359278 -7.87743826 4.28777172
0.00069038 -0.00086910 0.00049049
0.01614219 -0.00471545 0.00592227
8.97574699 2.05303844 9.74236626
-0.00178259 0.00015808 -0.00033951
-0.00248258 -0.00212626 0.00397616
9.46514358 3.38703424 7.29719576
0.00026288 -0.00014858 0.00014375
-0.00001141 0.02347402 -0.00884738
-7.75391295 -9.02900937 -4.57357796
-0.00105990 0.00015578 0.00012031
0.00778048 -0.00568063 0.02414698
-8.36192103 -10.17678256 -1.96570403
0.00058575 0.00045611 -0.00080361
-0.01323083 -0.00705259 0.00782593
4.99257371 -13.81026787 -11.99820740
0.00027679 0.00006690 0.00049789
-0.00322380 0.00756354 -0.00424135
2.26334034 -13.36583562 -13.17276842
0.00012599 0.00036303 -0.00120109
0.01352462 0.00989238 -0.00008251
1.29612828 -6.04551200 -0.03288471
-0.00004511 -0.00003510 0.00025351
0.01300860 -0.04300170 0.02445879
-0.13994766 -3.74392111 -0.07993852
0.00010018 0.00033411 -0.00008059
-0.00192920 0.00642836 -0.00833874
17.51522785 3.64254178 25.86285003
0.00023602 -0.00041831 -0.00057342
-0.00276938 0.00239387 0.00532413
16.20262160 3.01542003 28.32115578
0.00042595 -0.00004798 0.00108342
-0.01050704 -0.02448527 0.01423698
-11.04097882 7.25539027 -4.08971641
0.00082208 0.00016753 -0.00057072
-0.01445829 0.02000795 0.00628415
-8.52125778 7.22591404 -5.62937676
-0.00048337 0.00020811 -0.00032366
0.01192052 0.02013104 -0.00585379
-6.39038933 16.21360089 -9.29616929
-0.00015449 0.00005461 0.00037962
-0.00177149 -0.00019476 0.00141595
-4.75308388 14.16910796 -10.67808775
0.00014478 -0.00011286 -0.00046031
-0.00093702 -0.00011748 -0.00431848
2.99888354 10.40713989 -6.21344327
-0.00012347 -0.00028136 0.00076153
-0.00181623 0.02525716 -0.00351803
1.51613162 13.13958508 -6.51008136
-0.00058565 0.00053263 -0.00066716
0.01599801 -0.01480206 -0.00445857
-2.70967827 10.91981646 -14.33031415
-0.00040820 0.00036638 0.00039040
-0.03539618 0.00690828 0.01081371
-5.71131791 10.51242915 -13.56480035
0.00068666 -0.00007374 0.00013540
0.01551725 0.00230650 0.00128691
3.84562454 7.97458152 19.12641487
0.00039680 0.00029741 0.00022144
0.00660888 -0.00281599 0.00111397
1.89678272 7.02311026 17.24115709
-0.00006884 0.00078556 -0.00008052
0.01022091 -0.00718327 0.00409970
-13.42792198 8.66722051 -8.42896505
0.00010627 -0.00026119 0.00057296
0.04672294 0.00097978 0.00198893
-15.96323624 8.09270916 -7.56621817
0.00033414 0.00024061 -0.00003072
-0.00494119 0.01006479 -0.01114449
5.26776903 10.27468818 0.52600987
0.00122568 0.00054847 -0.00125120
-0.02321040 -0.02187546 -0.00355915
2.50550582 9.37196271 1.75502689
-0.00146046 -0.00007477 0.00032944
0.02601564 -0.00311159 -0.03725320
14.22667717 -24.12272994 -25.49132594
0.00052438 0.00048816 0.00026471
-0.00990518 0.00167038 -0.00060568
14.98048794 -23.45123241 -28.24541796
-0.00035922 -0.00045580 -0.00113727
0.00287713 -0.00502957 0.01035697
4.86620074 3.29152040 -1.14233681
-0.00086619 -0.00019467 -0.00040663
-0.00738618 0.00761068 0.00712890
4.93391574 5.86256530 0.21721327
-0.00062779 -0.00029653 -0.00022849
-0.00310500 0.01147413 0.00333245
16.94364211 -3.86625427 -0.51265776
-0.00038505 0.00031959 0.00008272
0.00900595 0.03463806 -0.01156960
16.80338444 -6.56621244 -0.80104388
0.00008620 0.00031104 0.00034491
-0.01187565 -0.03327190 -0.01806695
-5.76808339 3.36181504 -1.53572739
-0.00046641 -0.00121315 -0.00025651
0.02621125 -0.02590167 -0.03888406
-5.03204222 0.86369513 -3.22268754
-0.00019403 0.00082419 -0.00035357
-0.00676486 0.00142117 -0.00311865
2.48476350 2.87072800 -11.16433062
-0.00047012 -0.00003809 -0.00082242
0.01587039 0.00542540 0.00258178
-0.08165279 1.56601921 -10.54014252
-0.00027599 0.00083976 -0.00084038
0.02369801 0.00759386 -0.02824409
16.73104830 7.73805718 -8.32406979
-0.00089413 -0.00061077 0.00119403
0.01235222 0.01175302 0.00013963
16.51986253 10.66561742 -7.37758341
-0.00103627 0.00052547 0.00078339
-0.00106662 -0.00989698 -0.00497897
-6.38016473 0.49721664 10.91937089
-0.00062532 -0.00043540 -0.00037190
0.00551292 -0.00626656 -0.01070151
-7.76837735 1.69493423 12.98248762
0.00071163 0.00027850 -0.00003745
-0.02654190 0.01117070 0.02219227
-2.20224007 -16.11952852 13.96977997
0.00010330 -0.00196238 -0.00056175
-0.00421507 -0.00562903 0.00675537
-4.20941452 -17.83818234 12.56711443
-0.00008929 0.00176663 0.00021727
-0.00333083 -0.02328382 0.00414523
7.18486205 -6.44938317 -4.14098995
0.00001705 0.00032011 -0.00063183
-0.00643376 -0.00333488 -0.01073578
5.64755604 -8.30072371 -5.97551441
0.00011649 0.00061674 -0.00130539
-0.00656324 -0.00236133 0.00581743
-2.84058176 -11.69951828 2.44014196
-0.00014120 0.00030194 -0.00028181
-0.01312101 -0.00053495 0.00402566
-0.29803404 -10.38609946 2.83104717
0.00050387 -0.00001244 -0.00019657
0.00401863 0.01275979 0.00320068
-15.03453713 -0.91106080 5.86943881
0.00151784 0.00022201 -0.00031646
-0.00563177 -0.00088348 -0.00176526
-16.16306638 -1.67665885 3.12357890
0.00020679 -0.00036427 0.00013269
0.00449044 0.00029674 0.03031123
-9.58961709 4.91906691 -23.06834879
-0.00015320 0.00003148 -0.00039615
0.00402735 -0.00124629 0.00517804
-8.99691566 4.82365636 -20.15081551
-0.00002026 -0.00009739 0.00009004
-0.00015018 -0.01396599 -0.02579872
2.01151453 1.49444309 -3.19981770
-0.00051989 -0.00006607 -0.00069402
-0.00807873 -0.01213713 0.03406917
0.78323967 0.71024550 -0.45207482
0.00010987 -0.00065888 -0.00057968
-0.04547913 -0.01401206 0.01134178
13.74013989 9.82774400 4.06642527
0.00087246 0.00032717 -0.00089114
-0.00362550 -0.00465244 -0.00322601
11.36517578 9.46994951 2.59156618
0.00036640 0.00002698 0.00001305
-0.02239952 0.01428393 -0.03023661
5.47699171 -9.02132534 -10.65903287
-0.00005813 -0.00026709 0.00013455
-0.00104960 0.00001888 0.00199480
-13.02587079 10.43913772 21.14014933
-0.00003524 -0.00004035 0.00014555
0.00960585 0.00040269 -0.00149774
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06933278
0.33278172
443.41495241
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1892266090
ExchangeOperator: bisection time: 1.964 s
total exchange = -52.3976780352 (a.u.)
total exchange computation time: 3.5361349583 s
-154.2153018782
-931.39991753
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1892266090
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.3970904373 (a.u.)
total exchange computation time: 3.5365519524 s
-154.2208918162
Anderson extrapolation: theta=1.3456938127 (1.3456938127)
-931.40014321
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1892266090
ExchangeOperator: bisection time: 1.964 s
total exchange = -52.3961871842 (a.u.)
total exchange computation time: 3.5356647968 s
-154.2293137081
Anderson extrapolation: theta=0.0504138326 (0.0504138326)
-931.40027686
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1892266090
ExchangeOperator: bisection time: 1.964 s
total exchange = -52.3960533380 (a.u.)
total exchange computation time: 3.5373971462 s
-154.2304839232
Anderson extrapolation: theta=1.8961150795 (1.8961150795)
-931.40028153
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1892266090
ExchangeOperator: bisection time: 1.965 s
total exchange = -52.3957728132 (a.u.)
total exchange computation time: 3.5353970528 s
-154.2328817886
Anderson extrapolation: theta=0.2095149652 (0.2095149652)
-931.40028611
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1892266090
ExchangeOperator: bisection time: 1.966 s
total exchange = -52.3957055051 (a.u.)
total exchange computation time: 3.5374119282 s
-154.2334125004
Anderson extrapolation: theta=1.8885127583 (1.8885127583)
-931.40028687
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1892266090
ExchangeOperator: bisection time: 1.963 s
total exchange = -52.3955977924 (a.u.)
total exchange computation time: 3.5354640484 s
-154.2342158137
Anderson extrapolation: theta=0.2814238364 (0.2814238364)
-931.40028772
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1892266090
ExchangeOperator: bisection time: 1.966 s
total exchange = -52.3955876132 (a.u.)
total exchange computation time: 3.5357811451 s
-154.2342454143
Anderson extrapolation: theta=1.3354862119 (1.3354862119)
-931.40028789
239.253767 32.832146 201.377043
-141.109105 489.783611 -803.737846
98.144662 522.615757 -602.360802
803.491220
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0717296512
ExchangeOperator: pair fraction: ispin=0: 0.1892266090
ExchangeOperator: bisection time: 1.965 s
total exchange = -52.3955893102 (a.u.)
total exchange computation time: 3.5362570286 s
679.29725468
-1084.31603386
89.61464643
-388.72660347
-174.87396243
78.61177126
551.60419304
0.00000000
-931.40028796
-8.80004363 -3.76440228 3.28710938
0.00024259 -0.00035928 0.00024352
0.01665057 -0.02488915 0.04897223
-17.90876879 4.67239815 6.62790310
0.00001150 -0.00041842 -0.00018576
0.01729943 0.03180255 0.01103811
-15.68752227 -0.95494520 0.58451939
0.00001019 -0.00001835 -0.00009680
-0.01794568 -0.03736215 -0.03474179
3.51676103 -20.68309284 15.73058281
-0.00022252 0.00002807 -0.00019583
0.02179675 0.00211033 0.01336298
7.38292808 15.85606606 -1.29191910
0.00022442 0.00025393 -0.00012496
0.00095444 -0.00427292 0.00199792
-9.74068321 9.69255144 11.07992334
-0.00002205 -0.00020388 0.00022531
-0.01283869 0.01178426 0.00538697
-8.06089089 -0.67687630 -14.10224225
-0.00014906 0.00025048 -0.00021043
0.01290878 0.03786844 0.03536325
-10.81325679 2.13361023 -7.35826574
-0.00009434 0.00025547 0.00056717
0.03325569 0.04434370 0.00915624
-0.18600345 -5.74047876 15.06659519
-0.00001961 -0.00002821 0.00033644
0.00536923 0.00444392 0.00400416
-25.29415565 -0.54768201 -20.82837450
-0.00041666 -0.00008316 0.00022032
-0.00257225 0.00838531 -0.00820868
8.89290798 7.50790686 7.85336512
-0.00008592 -0.00001141 0.00003658
-0.00863329 -0.00910558 -0.00425625
20.76426826 28.77659196 -4.83075770
-0.00004317 0.00017499 -0.00016986
-0.00359587 -0.00039873 -0.00582345
7.76986620 -1.61850345 -7.18134520
-0.00001873 -0.00003281 -0.00007961
-0.02235720 0.00844148 0.00515906
-9.53178310 -3.58295728 13.14035953
0.00025662 0.00018507 0.00055520
-0.00883503 0.01297608 0.00182293
-1.39936913 -22.73620408 13.85790559
0.00018884 -0.00008193 0.00005256
0.00273301 0.01307929 -0.00161749
-11.09087853 -8.68263991 -8.36652490
-0.00007221 -0.00013184 0.00030846
0.03309924 0.06624508 -0.03790692
-15.99597257 -8.53138471 -15.57806667
0.00021747 -0.00014433 0.00013786
-0.01505085 0.01273831 0.00052353
16.41749383 12.55588299 3.48799391
0.00036998 0.00020553 0.00018176
-0.00084049 -0.00485321 0.00799982
20.37903090 -4.61803421 -14.72266064
-0.00035473 0.00006183 0.00003412
-0.01506902 0.00077005 -0.00678425
-0.71091183 8.13877932 -14.80333939
0.00039243 0.00016046 -0.00018743
-0.00663929 0.00704511 0.01082859
0.83828815 -0.90566727 -16.67428376
-0.00006285 0.00015508 -0.00035232
-0.00337087 0.01456757 0.00434869
11.52744805 21.11891245 -23.06946467
0.00027512 -0.00022416 -0.00018292
0.04321856 0.04258085 0.00501782
-11.27949224 15.14420927 -15.95214126
0.00012656 0.00026743 -0.00045629
0.00975577 -0.00045634 0.01146175
4.28383304 17.46633834 11.03674803
0.00013065 0.00029168 -0.00032045
0.01261780 -0.01004391 0.00838050
-2.05517689 -11.07787501 -3.52597216
-0.00013636 -0.00017201 -0.00023687
0.07222666 -0.01478720 0.02440396
1.20858157 -7.93092349 3.69071414
-0.00021010 -0.00045522 -0.00001224
-0.00284701 0.03305942 0.02050007
9.57087327 1.76673690 8.05379983
0.00014833 0.00024979 0.00021305
0.00227152 -0.02126092 0.00882834
-6.98143357 -9.51169953 -2.92942772
0.00024166 0.00021299 -0.00010464
0.00154060 0.02151017 -0.03603995
3.94670826 -12.59025071 -12.90885018
-0.00008366 0.00025971 -0.00014283
-0.00968428 -0.01377189 0.00281983
1.10677351 -4.64818913 -1.06921554
0.00014058 0.00011808 0.00016809
-0.01199506 0.03486702 -0.01636446
16.78245288 4.39165662 27.35100347
0.00035393 0.00024252 -0.00037243
0.00978038 0.01264175 -0.01368297
-9.60082933 6.27849960 -4.52469673
0.00001800 -0.00048277 0.00016920
0.00194292 -0.03617703 0.00698769
-5.14238097 14.90791801 -9.05317765
0.00026158 0.00005165 -0.00031596
0.00794750 -0.00183654 0.00364543
3.09683985 12.18677027 -6.83208997
-0.00008722 -0.00002682 0.00001414
-0.01779472 -0.01177974 0.00493296
-4.33617787 11.74820216 -13.76323620
0.00034813 0.00018100 -0.00006467
0.00859730 -0.00486410 -0.00303842
3.77646747 7.19188323 17.44798644
0.00026799 -0.00004200 -0.00012214
-0.02386641 0.00751258 -0.00542658
-15.07530488 8.84483677 -9.02688755
-0.00055370 -0.00008610 -0.00030533
-0.03032235 -0.01354491 0.01850899
3.74024198 9.14402107 0.30471360
-0.00006098 0.00031114 0.00042518
-0.00157288 0.02042852 0.03503873
15.67173728 -23.99088184 -26.61994312
0.00031606 -0.00008513 -0.00005893
0.00054160 0.00191009 -0.00947901
5.85130917 4.30583897 0.01819982
-0.00012434 -0.00016876 0.00030476
0.01607833 -0.01886695 -0.00432510
16.97469097 -5.33582801 0.46915038
0.00022855 0.00007463 -0.00012409
0.01410674 0.00071202 0.02106141
-4.48887010 2.57950205 -2.80256999
-0.00036738 -0.00027601 0.00033298
-0.01761348 0.03748835 0.04213584
0.97776906 2.31762729 -11.94171067
-0.00009647 0.00011991 0.00044140
-0.04137307 -0.01715226 0.00457108
15.65258608 9.05036555 -7.51664657
-0.00017639 -0.00023153 0.00003860
-0.00682770 0.00062275 0.01104699
-6.16599783 0.96014184 12.68375435
-0.00038345 -0.00002274 0.00038861
0.02291657 -0.00691444 -0.02411983
-3.42189031 -16.23013880 12.58745890
-0.00021640 0.00012981 0.00049545
0.01034840 0.03244845 -0.01428811
6.99362507 -7.05317162 -5.91577229
0.00000309 0.00009744 -0.00016635
0.01718277 0.01823530 -0.01104934
-1.18972782 -11.52726594 1.71835907
0.00016341 0.00005133 -0.00030529
0.00271287 -0.01852067 -0.01784961
-16.42439106 -1.79477748 5.06901455
0.00021690 0.00002568 0.00019753
0.00678169 -0.00030252 -0.00380292
-8.95552760 3.78002675 -21.75974218
-0.00029574 -0.00050696 -0.00045842
0.00005984 0.02306274 0.01800047
2.18347868 1.27834444 -1.31260155
0.00009066 -0.00004500 0.00019811
0.04352018 0.01873069 -0.05947319
12.34737795 8.65131892 3.82594034
0.00011176 -0.00037542 0.00007528
0.02752206 -0.00641974 0.02475670
-7.26720820 -4.26243467 2.33889558
-0.00054768 0.00080232 0.00084925
-0.01806336 0.00313687 -0.00687981
-9.89114831 -2.60696679 2.50924478
-0.00124698 -0.00144118 -0.00010502
-0.00765553 0.01860129 -0.02995454
-16.67713927 6.08279469 6.91066263
0.00054917 0.00009425 0.00001066
-0.01858280 -0.01481077 0.00263782
-17.00675109 3.80453778 5.34682112
-0.00006423 -0.00007795 0.00003344
0.00068186 -0.01544362 -0.01671597
-15.68896799 0.86039349 0.75713781
-0.00056332 0.00117101 0.00003563
-0.01146208 0.01308492 -0.00660463
-17.19228447 -1.60387157 -0.43663933
0.00112000 -0.00067974 0.00111674
0.02713511 0.02828970 0.01899936
1.95254195 -21.25245867 14.96192242
-0.00115597 0.00026867 -0.00020175
-0.00255634 0.01623905 -0.00452303
4.03618021 -18.89673410 15.73458063
-0.00065917 -0.00002969 -0.00002269
-0.02419814 -0.01202038 -0.00531176
8.40151192 14.30201859 -1.23220285
0.00027181 -0.00021807 -0.00054967
-0.00350650 -0.00390258 0.00699258
7.76822871 16.80431239 0.18393120
-0.00083929 -0.00093154 0.00006368
0.00434970 0.00655806 0.00840023
-8.61664308 9.04115124 12.39482384
0.00016520 0.00035476 -0.00032186
0.00339469 0.00334697 -0.00390197
-10.41407042 11.20252186 12.05585018
-0.00057989 0.00072784 -0.00079002
0.00379819 -0.01894824 -0.01531650
-9.68736223 0.19433244 -14.00918618
-0.00149416 0.00018773 -0.00115388
-0.00457000 -0.00111384 -0.00644393
-8.23490545 -2.04769294 -15.17730666
-0.00021254 -0.00045467 0.00029400
-0.00722688 -0.03278080 -0.03378734
-12.17942972 1.14190202 -6.81631452
-0.00054878 -0.00013478 -0.00086386
-0.01849763 -0.01900015 0.01005800
-10.44324792 3.49619631 -6.02515686
-0.00028154 0.00054798 0.00056849
-0.00830672 -0.02014476 -0.02374537
-1.87291278 -6.08866950 14.46406586
-0.00063318 0.00030733 -0.00013645
-0.01026592 -0.00911465 -0.00002101
-0.22629410 -5.80336222 16.89480608
-0.00011797 0.00014532 -0.00046081
-0.00224827 0.00378324 0.00221973
-24.69055265 -0.43070792 -19.12358430
-0.00113985 -0.00043978 -0.00054705
0.00830032 0.00169711 0.00667546
-25.61899110 1.16248639 -21.44768416
0.00001212 -0.00055405 0.00027505
0.00397406 -0.01171492 -0.00255330
9.58371238 8.63052172 6.58626615
-0.00043741 0.00114775 0.00001118
0.00934682 -0.00629139 -0.00106799
10.06130745 7.60441111 9.26197074
0.00022282 -0.00005881 0.00004381
0.00367140 0.01076596 0.00092052
19.76195536 27.40315270 -4.09867620
-0.00009011 -0.00014502 -0.00009449
0.00199218 0.00352776 0.00056444
20.06647099 30.48941763 -4.29152844
0.00019475 -0.00040495 -0.00025456
0.00966642 -0.01382095 -0.00138163
6.44440107 -0.29841503 -6.82087200
-0.00060079 0.00053958 0.00014963
0.01309011 -0.02718109 -0.00798737
6.85400196 -3.24623246 -7.22809149
0.00102888 0.00012282 -0.00009256
0.00789623 0.01117611 0.00173616
-8.58266652 -2.36832034 12.10618135
0.00079281 0.00037426 -0.00017346
-0.01723881 -0.00727662 0.00876499
-11.00248618 -2.69529558 13.96350059
-0.00029587 -0.00114191 -0.00083065
0.02096628 -0.01034932 -0.01715795
-1.43993684 -24.42901405 14.47805012
-0.00052639 0.00063216 0.00108650
0.01019057 -0.01756046 0.00484363
-3.12686109 -22.38617707 13.38553395
0.00050465 0.00028141 0.00023996
-0.00599746 0.00598743 0.00539786
-12.31173478 -7.80804451 -7.27503818
0.00147349 0.00058238 -0.00019734
-0.01389393 -0.00868798 0.00441387
-10.31076050 -7.09454673 -9.36109439
-0.00049502 -0.00040086 0.00004782
-0.02524934 -0.05057805 0.03914574
-16.06789895 -10.30685460 -15.29618720
-0.00042510 0.00065971 -0.00124484
-0.00170316 -0.01568490 0.00007106
-14.30141446 -8.06790488 -16.11591575
0.00023824 0.00007833 -0.00023035
0.00893253 0.00217562 -0.00025451
16.70928180 12.57423926 5.30919281
0.00036711 0.00018288 -0.00016067
0.00166593 -0.00090288 0.00162597
17.36616960 13.99292274 2.92042858
0.00056314 0.00044780 -0.00062106
-0.00153998 0.00586901 -0.00580188
18.74499694 -3.88498843 -15.18907197
-0.00107973 -0.00071916 0.00034909
0.01295568 -0.00968384 0.00474396
21.56280914 -3.34784880 -15.38735775
0.00065866 0.00051461 -0.00035341
0.00161683 0.00637634 0.00168258
-1.90792512 7.26813896 -13.76266861
0.00045713 -0.00011281 0.00036513
-0.01126946 -0.00095370 0.01378837
0.08176757 6.69583482 -15.49539302
0.00007069 0.00006559 -0.00098057
0.02019302 -0.01514157 -0.02055536
1.02255410 0.39076287 -15.36739652
-0.00007822 0.00030642 -0.00054857
-0.00547131 -0.00224916 0.00130180
2.61038137 -1.11843792 -17.16417663
-0.00130966 0.00054026 -0.00041139
0.00816020 -0.00527037 0.00176182
12.09131522 23.01421004 -22.75990734
0.00036155 -0.00037985 0.00046850
-0.02759046 -0.04928266 -0.00231015
9.73409329 20.90534285 -23.20109304
0.00082123 0.00061735 0.00026207
-0.01011767 0.01034384 0.00108022
-10.14095307 16.27621282 -16.98875681
0.00004794 -0.00054701 -0.00009823
-0.00710426 -0.01054903 0.01342034
-10.66323174 14.72564405 -14.24302705
-0.00084194 0.00059453 -0.00005845
0.00034766 0.01093428 -0.02808381
2.72315835 18.30864615 11.11985593
0.00151100 0.00017807 0.00046429
-0.02712403 0.00859552 0.01196198
4.74306476 17.82292911 9.34915688
0.00042948 0.00018476 -0.00030668
0.01455402 0.00198807 -0.02446572
-3.64340701 -10.42663267 -3.34068748
0.00060876 0.00014204 0.00149217
-0.06406307 0.02333795 0.00690250
-1.36050253 -11.05891474 -1.72823488
-0.00086218 -0.00014863 -0.00031109
-0.01097645 -0.00319160 -0.02376446
0.36640826 -6.66467027 4.80858663
-0.00030824 -0.00054421 -0.00018255
0.00331766 -0.01909480 -0.01206483
2.93444312 -7.89061931 4.29531047
0.00074040 -0.00088794 0.00050984
0.00834321 -0.00450601 0.00355055
8.94893211 2.05534453 9.73739546
-0.00179156 0.00014869 -0.00032510
-0.00190930 -0.00247122 0.00307698
9.46908644 3.38552487 7.29908096
0.00026279 -0.00004794 0.00010497
-0.00003191 0.02579010 -0.01013840
-7.76957303 -9.02684671 -4.57103336
-0.00102390 0.00013268 0.00022076
0.00984277 -0.00562908 0.02502470
-8.35354021 -10.17015705 -1.97751842
0.00052368 0.00042240 -0.00076310
-0.01715460 -0.00944837 0.01200673
4.99662674 -13.80903262 -11.99086909
0.00025764 0.00010328 0.00047579
-0.00614683 0.01024459 -0.00657406
2.26564469 -13.36008706 -13.19078726
0.00018011 0.00040200 -0.00120052
0.01296486 0.00918309 0.00036049
1.29585019 -6.04735627 -0.02833261
0.00000689 -0.00020653 0.00035068
0.01244686 -0.04091197 0.02310780
-0.13850409 -3.73871240 -0.08140294
0.00009246 0.00035964 -0.00011443
-0.00184758 0.00606621 -0.00822448
17.51868326 3.63634053 25.85441192
0.00022206 -0.00040697 -0.00054640
-0.00406147 0.00315698 0.00790013
16.20868891 3.01394996 28.33784340
0.00038978 -0.00013343 0.00113024
-0.00719707 -0.01734004 0.00867812
-11.02909064 7.25851627 -4.09808458
0.00075545 0.00025182 -0.00054181
-0.01815770 0.02125338 0.00786649
-8.52814302 7.22965259 -5.63441109
-0.00043620 0.00028556 -0.00034437
0.01117055 0.01778080 -0.00428310
-6.39276093 16.21441410 -9.29043166
-0.00015951 0.00005131 0.00038491
-0.00068693 -0.00142325 0.00117318
-4.75094083 14.16741142 -10.68512480
0.00013995 -0.00011159 -0.00047580
-0.00142937 0.00073864 -0.00326191
2.99697579 10.40369349 -6.20212811
-0.00013069 -0.00017302 0.00074487
-0.00171420 0.02777559 -0.00463971
1.50783712 13.14712100 -6.52022537
-0.00051464 0.00046857 -0.00068590
0.01875874 -0.01655608 -0.00471623
-2.71688588 10.92552387 -14.32412675
-0.00054322 0.00039093 0.00043135
-0.03069911 0.00511071 0.00923046
-5.70054254 10.51139378 -13.56272986
0.00074867 -0.00006432 0.00014076
0.01483800 0.00230287 0.00133420
3.85177902 7.97895634 19.12977058
0.00042331 0.00028323 0.00022093
0.00636672 -0.00412449 -0.00136156
1.89606330 7.03467358 17.24007491
-0.00002430 0.00075561 -0.00006351
0.01158376 -0.00747978 0.00422940
-13.42489613 8.66333267 -8.42030964
0.00027930 -0.00025471 0.00057315
0.03797586 0.00219458 -0.00189841
-15.95837556 8.09662680 -7.56702054
0.00030912 0.00027964 -0.00007291
-0.00730497 0.00903838 -0.00950591
5.28544305 10.28224486 0.50713282
0.00112191 0.00045452 -0.00126285
-0.02758977 -0.02411339 -0.00214616
2.48439607 9.37074585 1.75882689
-0.00134656 -0.00008587 0.00017264
0.02974298 -0.00232398 -0.03950153
14.23423934 -24.11535641 -25.48737388
0.00048351 0.00049482 0.00026145
-0.01009994 0.00159192 -0.00099023
14.97518785 -23.45822348 -28.26215962
-0.00034231 -0.00048051 -0.00108112
0.00539742 -0.00706781 0.01712860
4.85298152 3.28883354 -1.14821785
-0.00088892 -0.00015799 -0.00036961
-0.00374118 0.01034662 0.01099265
4.92440377 5.85846902 0.21388799
-0.00063913 -0.00024991 -0.00021371
-0.00244690 0.01134455 0.00390197
16.93814241 -3.86039906 -0.51177144
-0.00034852 0.00045772 0.00003696
0.00887107 0.03298131 -0.01083035
16.80431356 -6.56256634 -0.79642387
0.00003731 0.00017090 0.00026533
-0.01205736 -0.03532831 -0.02088921
-5.77427641 3.34282404 -1.54076663
-0.00036311 -0.00131453 -0.00041063
0.02435881 -0.02372413 -0.03655604
-5.03516001 0.87610156 -3.22808663
-0.00022458 0.00081765 -0.00036967
-0.00818823 -0.00462229 -0.00476151
2.47819806 2.87032285 -11.17658781
-0.00039219 -0.00001130 -0.00080387
0.02227558 0.00769076 0.00650099
-0.08506652 1.57884830 -10.55361364
-0.00018409 0.00086647 -0.00094558
0.02129053 0.00548103 -0.02325503
16.71801479 7.72925585 -8.30615506
-0.00083734 -0.00056460 0.00119173
0.01544949 0.01084616 -0.00126569
16.50428580 10.67319625 -7.36598517
-0.00104061 0.00047942 0.00076193
-0.00105603 -0.01264626 -0.00552383
-6.38937555 0.49049357 10.91346453
-0.00060163 -0.00045752 -0.00040337
0.00608399 -0.00456130 -0.00470345
-7.75851628 1.69945399 12.98260587
0.00058956 0.00033076 0.00005564
-0.03320965 0.01441284 0.02337790
-2.20081967 -16.14913671 13.96156073
0.00009216 -0.00198170 -0.00052798
-0.00123949 -0.00382644 0.00977451
-4.21085597 -17.81239644 12.57050054
-0.00011572 0.00164706 0.00023195
-0.00960598 -0.03524686 0.00304161
7.18492070 -6.44468369 -4.15079633
-0.00001036 0.00030668 -0.00067178
-0.00698586 -0.00324043 -0.00882244
5.64910232 -8.29154494 -5.99491707
0.00008533 0.00060358 -0.00127963
-0.00869335 -0.00408071 0.00679410
-2.84310178 -11.69500556 2.43603821
-0.00019018 0.00030034 -0.00026666
-0.01085781 -0.00024927 0.00338872
-0.29035291 -10.38589500 2.82819668
0.00051839 0.00003840 -0.00018492
0.00309097 0.01212363 0.00250379
-15.01194213 -0.90775776 5.86463785
0.00148479 0.00021223 -0.00032873
-0.01054776 -0.00390169 -0.00424394
-16.15982694 -1.68211376 3.12649806
0.00022482 -0.00036259 0.00025636
0.00433360 0.00052588 0.03022449
-9.59179161 4.91950087 -23.07413236
-0.00013575 0.00002401 -0.00037303
0.00451251 -0.00240910 0.00613804
-8.99722416 4.82176756 -20.15025549
-0.00002080 -0.00015838 -0.00002110
-0.00011342 -0.01588801 -0.02860225
2.00346861 1.49308012 -3.20918405
-0.00054999 -0.00011658 -0.00054524
-0.00665603 -0.01258765 0.03876265
0.78349406 0.69993286 -0.46042244
-0.00007771 -0.00071755 -0.00053139
-0.04633957 -0.01470495 0.01229585
13.75311567 9.83250904 4.05295927
0.00084866 0.00029953 -0.00090486
-0.00802509 -0.00888106 -0.00348976
11.36998540 9.47079189 2.59083538
0.00027544 0.00008331 -0.00010873
-0.02212784 0.01329065 -0.02937655
5.47611688 -9.02533169 -10.65700930
-0.00005855 -0.00026706 0.00013524
-0.00125494 0.00019628 0.00184779
-13.02638264 10.43853317 21.14232992
-0.00003303 -0.00004024 0.00014520
0.00940417 0.00055047 -0.00151965
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06931862
0.33096934
441.00004680
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0713662791
ExchangeOperator: pair fraction: ispin=0: 0.1876257436
ExchangeOperator: bisection time: 1.963 s
total exchange = -52.3964504338 (a.u.)
total exchange computation time: 3.3591370583 s
-154.2106533551
-931.39692891
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0713662791
ExchangeOperator: pair fraction: ispin=0: 0.1876257436
ExchangeOperator: bisection time: 1.969 s
total exchange = -52.3958967960 (a.u.)
total exchange computation time: 3.3599858284 s
-154.2161757063
Anderson extrapolation: theta=1.3669902142 (1.3669902142)
-931.39716469
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0713662791
ExchangeOperator: pair fraction: ispin=0: 0.1876257436
ExchangeOperator: bisection time: 1.965 s
total exchange = -52.3950592021 (a.u.)
total exchange computation time: 3.3598170280 s
-154.2244801016
Anderson extrapolation: theta=0.0581291698 (0.0581291698)
-931.39730882
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0713662791
ExchangeOperator: pair fraction: ispin=0: 0.1876257436
ExchangeOperator: bisection time: 1.971 s
total exchange = -52.3949499929 (a.u.)
total exchange computation time: 3.3608357906 s
-154.2255821388
Anderson extrapolation: theta=2.0990508042 (2.0000000000)
-931.39731519
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0713662791
ExchangeOperator: pair fraction: ispin=0: 0.1876257436
ExchangeOperator: bisection time: 1.963 s
total exchange = -52.3947236874 (a.u.)
total exchange computation time: 3.3602559566 s
-154.2278630858
Anderson extrapolation: theta=0.2854051588 (0.2854051588)
-931.39732262
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0713662791
ExchangeOperator: pair fraction: ispin=0: 0.1876257436
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.3946691231 (a.u.)
total exchange computation time: 3.3591070175 s
-154.2284250545
Anderson extrapolation: theta=1.5479735355 (1.5479735355)
-931.39732423
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0713662791
ExchangeOperator: pair fraction: ispin=0: 0.1876257436
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.3946146419 (a.u.)
total exchange computation time: 3.3603949547 s
-154.2290193401
Anderson extrapolation: theta=0.3696342343 (0.3696342343)
-931.39732578
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0713662791
ExchangeOperator: pair fraction: ispin=0: 0.1876257436
ExchangeOperator: bisection time: 1.966 s
total exchange = -52.3946231215 (a.u.)
total exchange computation time: 3.3591408730 s
-154.2289772674
Anderson extrapolation: theta=1.1075971026 (1.1075971026)
-931.39732614
239.225472 32.887970 201.342329
-141.132207 489.815387 -803.802962
98.093266 522.703357 -602.460633
803.616763
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0713662791
ExchangeOperator: pair fraction: ispin=0: 0.1876257436
ExchangeOperator: bisection time: 1.967 s
total exchange = -52.3946523111 (a.u.)
total exchange computation time: 3.3593230247 s
679.29457542
-1084.30175411
89.61359493
-388.73621286
-174.87287735
78.60246721
551.60419304
0.00000000
-931.39732626
-8.79634051 -3.76988751 3.29095103
0.00024890 -0.00037072 0.00026926
0.00788797 -0.01960255 0.05112698
-17.90852953 4.66624460 6.62515923
0.00002072 -0.00040092 -0.00017935
0.01853731 0.03621915 0.01389012
-15.68743857 -0.95536452 0.58293331
0.00000251 -0.00003476 -0.00011330
-0.01193291 -0.02648278 -0.02941483
3.51350729 -20.68266367 15.72769687
-0.00021264 0.00002847 -0.00018960
0.01662611 -0.00055739 0.01086566
7.38629803 15.85985846 -1.29378574
0.00022501 0.00025038 -0.00012524
0.00134083 -0.00952748 -0.00309221
-9.74106349 9.68953870 11.08332374
-0.00002945 -0.00019701 0.00022747
-0.01594140 0.01492574 0.00300600
-8.06307698 -0.67297298 -14.10526230
-0.00014426 0.00027007 -0.00019288
0.00575619 0.03831059 0.03288260
-10.81454360 2.13761327 -7.34972288
-0.00007749 0.00027804 0.00057190
0.03226154 0.04345374 0.00925444
-0.18627685 -5.74088476 15.07165719
-0.00001799 -0.00002615 0.00033646
0.00092912 0.00355810 -0.00389790
-25.30041543 -0.54889702 -20.82510138
-0.00041844 -0.00007984 0.00021452
-0.00437372 0.00449368 -0.01435065
8.89158581 7.50770063 7.85389734
-0.00008972 -0.00001536 0.00003388
-0.00612534 -0.00625604 -0.00622553
20.76360690 28.77921528 -4.83332811
-0.00004495 0.00017357 -0.00017280
-0.00332394 -0.00514304 -0.00559311
7.76949908 -1.61896299 -7.18251951
-0.00003024 -0.00002666 -0.00007678
-0.02243316 0.01545244 0.00585205
-9.52796794 -3.58013110 13.14869462
0.00025371 0.00019165 0.00055479
-0.00248019 0.01259322 -0.00345089
-1.39652599 -22.73738251 13.85868775
0.00019072 -0.00007486 0.00005168
0.00457781 0.01441372 -0.00181304
-11.09183397 -8.68436194 -8.36204424
-0.00005430 -0.00009849 0.00028812
0.03654934 0.06341632 -0.04117232
-15.99276856 -8.53350048 -15.57599673
0.00021017 -0.00013555 0.00013773
-0.01333714 0.02137703 -0.00103232
16.42304027 12.55894715 3.49075122
0.00036995 0.00020380 0.00018484
0.00071291 -0.00187129 0.00397683
20.37365186 -4.61710376 -14.72217505
-0.00036159 0.00006328 0.00003006
-0.01160424 0.00486279 -0.00898688
-0.70505106 8.14121337 -14.80610903
0.00038873 0.00016316 -0.00018163
-0.00773506 0.00345754 0.01171810
0.83733245 -0.90328489 -16.67955180
-0.00006645 0.00016277 -0.00034950
-0.01065257 0.01533594 0.00663090
11.53174151 21.11571434 -23.07218916
0.00029851 -0.00020220 -0.00018010
0.04775526 0.04281106 0.00596015
-11.27755624 15.14821892 -15.95894133
0.00013072 0.00026650 -0.00044988
0.00644108 -0.00316174 0.01344513
4.28584151 17.47067484 11.03197355
0.00013979 0.00028507 -0.00031652
0.02292617 -0.01565631 0.00690787
-2.05694376 -11.08051225 -3.52943114
-0.00009920 -0.00017962 -0.00022454
0.07228947 -0.01480751 0.02355429
1.20541903 -7.93762432 3.69060955
-0.00020952 -0.00043842 -0.00000126
0.00513132 0.03229023 0.02222908
9.57310702 1.77040167 8.05702961
0.00014934 0.00023855 0.00021804
0.00163426 -0.02243795 0.01058478
-6.97780273 -9.50842173 -2.93113640
0.00024284 0.00022453 -0.00012414
0.00306537 0.02337782 -0.03976508
3.94541607 -12.58640815 -12.91098170
-0.00008774 0.00025224 -0.00014095
-0.00619485 -0.01529561 0.00449631
1.10883600 -4.64628339 -1.06675725
0.00013461 0.00013513 0.00016028
-0.01123590 0.03142958 -0.01400794
16.78779961 4.39534322 27.34536430
0.00035839 0.00024696 -0.00037853
0.00755104 0.00459557 -0.01006531
-9.60055191 6.27111845 -4.52213179
0.00002002 -0.00050078 0.00017196
0.00593182 -0.03384904 0.00376539
-5.13842666 14.90868567 -9.05790297
0.00026549 0.00005081 -0.00031429
0.00725883 -0.00143924 0.00284920
3.09546292 12.18632256 -6.83185880
-0.00009690 -0.00003291 0.00001689
-0.01985903 -0.01192811 0.00573807
-4.33092277 11.75089839 -13.76421796
0.00035134 0.00017912 -0.00006576
0.00387876 -0.00242773 -0.00120154
3.78039520 7.19128215 17.44613349
0.00025544 -0.00003774 -0.00012423
-0.02491330 0.00905499 -0.00272498
-15.08372735 8.84349310 -9.03139617
-0.00056621 -0.00009310 -0.00029526
-0.01833433 -0.01369043 0.02066322
3.73932125 9.14876695 0.31122644
-0.00006152 0.00032177 0.00044306
-0.00054833 0.02090739 0.03448807
15.67648022 -23.99215137 -26.62086357
0.00031571 -0.00008373 -0.00006522
-0.00190821 0.00353407 -0.01501201
5.84950607 4.30323475 0.02275447
-0.00011715 -0.00017895 0.00030156
0.01189410 -0.02076539 -0.00808757
16.97817356 -5.33470583 0.46737029
0.00023587 0.00007591 -0.00011319
0.01439575 0.00426048 0.02131522
-4.49444868 2.57550658 -2.79741274
-0.00037531 -0.00025584 0.00035427
-0.01322864 0.04090954 0.04066550
0.97616241 2.31935980 -11.93507207
-0.00011835 0.00011127 0.00044129
-0.04371539 -0.01643750 -0.00500393
15.64991391 9.04689498 -7.51602492
-0.00018070 -0.00023015 0.00004486
-0.00993895 0.00473783 0.01328823
-6.17166115 0.95977403 12.68949049
-0.00037035 -0.00002758 0.00037444
0.02800288 -0.01191463 -0.03097916
-3.42509639 -16.22806646 12.59483548
-0.00021021 0.00014890 0.00048751
0.01371164 0.04177119 -0.01657961
6.99373763 -7.05163962 -5.91831020
0.00001245 0.00010713 -0.00017270
0.01924824 0.01943934 -0.01362415
-1.18726617 -11.52656741 1.71371080
0.00016434 0.00004190 -0.00031402
0.00089425 -0.01814119 -0.01610013
-16.42111135 -1.79439349 5.07196286
0.00022164 0.00002621 0.00019627
0.01163328 0.00238115 -0.00111569
-8.95996346 3.77251132 -21.76654910
-0.00029581 -0.00049446 -0.00044877
-0.00032013 0.02555854 0.01955667
2.18500641 1.27774173 -1.30985932
0.00011235 -0.00003528 0.00016664
0.04084838 0.01905453 -0.06288151
12.34916046 8.64566278 3.82716502
0.00012666 -0.00037728 0.00008753
0.03041523 -0.00081261 0.02287173
-7.27597698 -4.25030378 2.35142345
-0.00060875 0.00081103 0.00081293
-0.01182692 0.00112722 -0.01089561
-9.91008756 -2.62801444 2.50675155
-0.00127282 -0.00137079 -0.00022409
-0.00499209 0.01585253 -0.02833145
-16.66947113 6.08375464 6.91090338
0.00046792 0.00002767 0.00002022
-0.02118834 -0.01778297 0.00204208
-17.00769362 3.80289536 5.34681045
-0.00005850 -0.00014384 -0.00003917
0.00212079 -0.01681022 -0.01882492
-15.69776908 0.87835954 0.75746988
-0.00061058 0.00120620 0.00000693
-0.01166954 0.00414218 -0.00744337
-17.17465292 -1.61320080 -0.41930610
0.00121932 -0.00056813 0.00118554
0.02148247 0.02634468 0.01468321
1.93512409 -21.24793105 14.95875763
-0.00115744 0.00033703 -0.00021573
0.00183765 0.01722597 -0.00232021
4.02555120 -18.89754784 15.73407749
-0.00075645 -0.00007564 -0.00004398
-0.02342466 -0.01047119 -0.00510760
8.40548164 14.29862803 -1.24023364
0.00025431 -0.00022912 -0.00052098
-0.00505848 -0.00150834 0.00705109
7.75577259 16.79054026 0.18514387
-0.00081907 -0.00089885 0.00010797
0.00554880 0.00944285 0.01327876
-8.61406106 9.04657518 12.38987637
0.00018206 0.00036710 -0.00033239
0.00485653 0.00269486 -0.00125219
-10.42265242 11.21285888 12.04353059
-0.00056149 0.00064468 -0.00085289
0.00520899 -0.02175984 -0.01546261
-9.70991471 0.19711433 -14.02669190
-0.00149975 0.00017765 -0.00117920
0.00183607 -0.00382196 -0.00594885
-8.23831495 -2.05551747 -15.17393199
-0.00024041 -0.00058350 0.00016062
-0.00641705 -0.03028200 -0.03150558
-12.18822820 1.13929807 -6.82896419
-0.00062113 -0.00020945 -0.00082319
-0.01691855 -0.01754976 0.00985039
-10.44772560 3.50379866 -6.01735709
-0.00031683 0.00046388 0.00047150
-0.00896623 -0.02102240 -0.02373380
-1.88272501 -6.08433891 14.46201851
-0.00066548 0.00027194 -0.00013310
-0.00554489 -0.00820905 0.00165749
-0.22813247 -5.80106644 16.88796188
-0.00012760 0.00016015 -0.00043907
-0.00246825 0.00347674 0.00842613
-24.70739606 -0.43725267 -19.13158546
-0.00110099 -0.00043202 -0.00050476
0.01072169 0.00210491 0.01402218
-25.61868751 1.15381664 -21.44363661
0.00002686 -0.00059470 0.00026202
0.00324215 -0.00818046 -0.00382666
9.57743761 8.64754512 6.58640116
-0.00040250 0.00111599 0.00001323
0.00774471 -0.00925195 0.00207094
10.06476226 7.60385885 9.26265606
0.00023596 -0.00001497 0.00004519
0.00276070 0.01069280 -0.00024235
19.76066473 27.40108552 -4.10007628
-0.00007978 -0.00012710 -0.00009338
0.00306306 0.00524120 -0.00001956
20.06968840 30.48291981 -4.29538917
0.00023122 -0.00045645 -0.00025880
0.00818685 -0.01138607 -0.00069206
6.43579032 -0.29115421 -6.81887238
-0.00054207 0.00042144 0.00011534
0.01565450 -0.03065033 -0.00879442
6.86967707 -3.24404762 -7.22942672
0.00105519 0.00016145 -0.00008535
0.00498244 0.00772905 0.00179526
-8.57130255 -2.36292939 12.10384810
0.00071561 0.00033845 -0.00013107
-0.02055272 -0.01025187 0.01198427
-11.00628170 -2.71274131 13.95051509
-0.00021661 -0.00117725 -0.00089625
0.01783094 -0.00695321 -0.01495389
-1.44752044 -24.42006980 14.49449603
-0.00048488 0.00055673 0.00110795
0.01013093 -0.01936097 0.00565654
-3.11947511 -22.38177242 13.38929869
0.00047621 0.00030699 0.00026072
-0.00792247 0.00653128 0.00476814
-12.29005821 -7.79957500 -7.27786306
0.00140733 0.00055108 -0.00017110
-0.01849256 -0.00663413 0.00843410
-10.31895945 -7.10210945 -9.35917749
-0.00059496 -0.00060554 0.00020558
-0.02367508 -0.04961587 0.03807597
-16.07432762 -10.29743963 -15.31485768
-0.00043245 0.00057923 -0.00124198
-0.00189705 -0.02370737 0.00132868
-14.29756715 -8.06666329 -16.11937879
0.00027181 0.00008615 -0.00023081
0.00749830 0.00165177 0.00002972
16.71483947 12.57695483 5.30683252
0.00037511 0.00018003 -0.00014980
0.00225151 -0.00049513 0.00369776
17.37456953 13.99981959 2.91093482
0.00055209 0.00046490 -0.00064100
-0.00386857 0.00249962 -0.00395678
18.72919795 -3.89607259 -15.18369028
-0.00102203 -0.00075812 0.00036829
0.01529203 -0.00938635 0.00465723
21.57273859 -3.33993434 -15.39260739
0.00065363 0.00053216 -0.00034232
-0.00408002 0.00221685 0.00375014
-1.90141345 7.26641763 -13.75676916
0.00041652 -0.00011365 0.00041704
-0.00861352 0.00054071 0.01162000
0.08344673 6.69635469 -15.51073143
0.00014986 0.00000804 -0.00106207
0.01856219 -0.01302960 -0.01933832
1.02121311 0.39529026 -15.37558522
-0.00010087 0.00029747 -0.00054269
-0.00561709 -0.00213220 0.00157602
2.59098649 -1.11049547 -17.17029343
-0.00126125 0.00051644 -0.00040921
0.01553803 -0.00639163 -0.00069686
12.09589297 23.00700216 -22.75295061
0.00024986 -0.00057973 0.00045854
-0.02708063 -0.04856032 -0.00256532
9.74610172 20.91492002 -23.19712893
0.00076915 0.00065737 0.00026541
-0.01537754 0.00924677 0.00055475
-10.14045168 16.26768444 -16.98981902
0.00002417 -0.00058523 -0.00004727
-0.00453284 -0.00815965 0.01152449
-10.67585014 14.73489707 -14.24476437
-0.00083933 0.00063908 -0.00017266
0.00092636 0.01087248 -0.02782246
2.74499223 18.31158062 11.12718686
0.00138082 0.00022429 0.00051408
-0.03659919 0.01402828 0.01240778
4.74995292 17.82576148 9.34380695
0.00048737 0.00019282 -0.00040452
0.01378392 0.00195651 -0.02342738
-3.63623877 -10.42378700 -3.31809336
0.00034187 0.00023938 0.00151826
-0.06657681 0.02431147 0.00586600
-1.37377161 -11.06124197 -1.73362946
-0.00090105 -0.00016291 -0.00040472
-0.00805236 -0.00379919 -0.02206798
0.36188639 -6.67341860 4.80547875
-0.00029482 -0.00062067 -0.00023013
0.00325035 -0.01833062 -0.01122652
2.94580479 -7.90407650 4.30306683
0.00075892 -0.00090577 0.00051961
0.00072323 -0.00422157 0.00123496
8.92200021 2.05749917 9.73261324
-0.00179787 0.00013785 -0.00031499
-0.00118069 -0.00283687 0.00187225
9.47302734 3.38559607 7.30034483
0.00026275 0.00006025 0.00006190
0.00001073 0.02716912 -0.01094384
-7.78462988 -9.02502904 -4.56695509
-0.00098007 0.00011023 0.00032332
0.01161138 -0.00535705 0.02517809
-8.34621073 -10.16411061 -1.98859696
0.00044670 0.00037937 -0.00070627
-0.02052401 -0.01161185 0.01581007
5.00030306 -13.80716953 -11.98393368
0.00022719 0.00014984 0.00044465
-0.00876295 0.01254900 -0.00866831
2.26874361 -13.35377571 -13.20878400
0.00023116 0.00043771 -0.00119829
0.01202622 0.00829635 0.00072939
1.29633492 -6.05170788 -0.02236431
0.00005598 -0.00036590 0.00043997
0.01158270 -0.03709913 0.02060042
-0.13717375 -3.73313191 -0.08337140
0.00008502 0.00038354 -0.00014760
-0.00179514 0.00563165 -0.00801238
17.52188976 3.63033275 25.84645798
0.00020316 -0.00039274 -0.00050952
-0.00519005 0.00380938 0.01015442
16.21431514 3.01141718 28.35506286
0.00036718 -0.00018931 0.00115368
-0.00386593 -0.01001251 0.00279745
-11.01831527 7.26294480 -4.10597063
0.00067558 0.00034001 -0.00050697
-0.02094149 0.02191571 0.00918578
-8.53434365 7.23448086 -5.63970793
-0.00039270 0.00035267 -0.00035790
0.01012059 0.01506883 -0.00233822
-6.39517463 16.21514008 -9.28462213
-0.00016007 0.00004296 0.00038919
0.00041190 -0.00266403 0.00092247
-4.74888537 14.16576014 -10.69236177
0.00013311 -0.00010679 -0.00048685
-0.00191797 0.00161186 -0.00214687
2.99496297 10.40194935 -6.19109731
-0.00013754 -0.00005581 0.00072403
-0.00163992 0.02960021 -0.00556045
1.50069228 13.15364227 -6.53065842
-0.00043360 0.00039813 -0.00070536
0.02091140 -0.01792511 -0.00480983
-2.72597492 10.93154449 -14.31737364
-0.00065704 0.00040727 0.00046520
-0.02501695 0.00288401 0.00733890
-5.68885780 10.51049953 -13.56057760
0.00080734 -0.00005528 0.00014639
0.01388153 0.00212306 0.00142188
3.85832370 7.98307839 19.13304284
0.00044876 0.00026379 0.00021048
0.00609497 -0.00538940 -0.00375690
1.89605380 7.04577850 17.23925193
0.00002526 0.00072444 -0.00004604
0.01267513 -0.00777833 0.00432247
-13.41954287 8.65957933 -8.41177058
0.00041485 -0.00024319 0.00055686
0.02837710 0.00344031 -0.00607312
-15.95396257 8.10109836 -7.56840549
0.00027445 0.00031417 -0.00010777
-0.00966668 0.00786390 -0.00755666
5.30142620 10.28832373 0.48812424
0.00100178 0.00035261 -0.00126847
-0.03121446 -0.02577373 -0.00060511
2.46510916 9.36938656 1.76020600
-0.00121915 -0.00009352 0.00000853
0.03262444 -0.00141981 -0.04082779
14.24118253 -24.10788531 -25.48348250
0.00044233 0.00050117 0.00025633
-0.01005774 0.00151829 -0.00151529
14.97021855 -23.46564772 -28.27785153
-0.00031569 -0.00051283 -0.00099904
0.00763242 -0.00875459 0.02305202
4.83953303 3.28678079 -1.15342520
-0.00089737 -0.00011091 -0.00031761
-0.00039141 0.01269985 0.01446089
4.91474184 5.85506799 0.21080185
-0.00064727 -0.00020464 -0.00019666
-0.00153889 0.01081588 0.00444652
16.93318637 -3.85252254 -0.51154888
-0.00031246 0.00058662 -0.00000447
0.00878449 0.03011485 -0.00944899
16.80450374 -6.56108537 -0.79308409
-0.00001208 0.00002482 0.00017634
-0.01211887 -0.03618105 -0.02267030
-5.77897657 3.32237908 -1.54804626
-0.00026899 -0.00140593 -0.00055358
0.02171268 -0.02101820 -0.03341840
-5.03877962 0.88822471 -3.23377753
-0.00026078 0.00078666 -0.00039271
-0.00953291 -0.01054849 -0.00652025
2.47299781 2.87038905 -11.18844658
-0.00028950 0.00002421 -0.00077025
0.02799287 0.00969129 0.00995221
-0.08717543 1.59201331 -10.56850998
-0.00010366 0.00088355 -0.00102850
0.01807974 0.00288090 -0.01733524
16.70592812 7.72111924 -8.28831790
-0.00076797 -0.00052254 0.00118373
0.01850561 0.00974018 -0.00265036
16.48864435 10.68000003 -7.35472547
-0.00104463 0.00042275 0.00073837
-0.00091272 -0.01509324 -0.00600861
-6.39821351 0.48349095 10.90726990
-0.00057543 -0.00047171 -0.00041000
0.00674142 -0.00238324 0.00145728
-7.75069050 1.70485707 12.98415686
0.00044264 0.00039522 0.00015302
-0.03870803 0.01714138 0.02428902
-2.19947524 -16.17897941 13.95394054
0.00009296 -0.00199381 -0.00048241
0.00162991 -0.00210485 0.01253231
-4.21288612 -17.78877069 12.57407305
-0.00016745 0.00148045 0.00024196
-0.01571865 -0.04630640 0.00185791
7.18455121 -6.44018281 -4.16114341
-0.00003989 0.00029390 -0.00070334
-0.00746754 -0.00301516 -0.00662569
5.65011582 -8.28261626 -6.01390335
0.00004600 0.00058393 -0.00125002
-0.01055727 -0.00553937 0.00769966
-2.84628724 -11.69050811 2.43214214
-0.00022921 0.00029997 -0.00025438
-0.00824854 0.00006622 0.00262101
-0.28248235 -10.38494752 2.82549964
0.00052871 0.00008611 -0.00017655
0.00196282 0.01123370 0.00159307
-14.98999356 -0.90469384 5.85957680
0.00143240 0.00019073 -0.00035041
-0.01509432 -0.00662514 -0.00636694
-16.15632190 -1.68753645 3.13126956
0.00024222 -0.00036000 0.00037876
0.00418804 0.00074020 0.02969268
-9.59368957 4.91978718 -23.07953975
-0.00011645 0.00001198 -0.00034634
0.00493312 -0.00348141 0.00692622
-8.99753962 4.81890504 -20.15144839
-0.00002121 -0.00022630 -0.00014217
-0.00008726 -0.01736049 -0.03066545
1.99501477 1.49094569 -3.21617479
-0.00057440 -0.00016856 -0.00037972
-0.00529258 -0.01285832 0.04225867
0.78090848 0.68871901 -0.46801651
-0.00026455 -0.00077733 -0.00048164
-0.04512172 -0.01455948 0.01205557
13.76559962 9.83672980 4.03927940
0.00080785 0.00025548 -0.00091933
-0.01194888 -0.01268003 -0.00359225
11.37343888 9.47244879 2.58830421
0.00018738 0.00013412 -0.00022475
-0.02097434 0.01158270 -0.02741608
5.47523531 -9.02933700 -10.65497582
-0.00005903 -0.00026695 0.00013587
-0.00146278 0.00037516 0.00168580
-13.02686176 10.43793053 21.14450522
-0.00003087 -0.00004010 0.00014484
0.00922667 0.00069347 -0.00154233
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06864567
0.32868059
437.95041405
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0712209302
ExchangeOperator: pair fraction: ispin=0: 0.1870632774
ExchangeOperator: bisection time: 1.965 s
total exchange = -52.3957607002 (a.u.)
total exchange computation time: 3.4066469669 s
-154.2031696455
-931.39413100
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0712209302
ExchangeOperator: pair fraction: ispin=0: 0.1870632774
ExchangeOperator: bisection time: 1.967 s
total exchange = -52.3951499455 (a.u.)
total exchange computation time: 3.4068210125 s
-154.2088919479
Anderson extrapolation: theta=1.3748273078 (1.3748273078)
-931.39437419
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0712209302
ExchangeOperator: pair fraction: ispin=0: 0.1870632774
ExchangeOperator: bisection time: 1.972 s
total exchange = -52.3941983621 (a.u.)
total exchange computation time: 3.4094579220 s
-154.2175983215
Anderson extrapolation: theta=0.0620198068 (0.0620198068)
-931.39452520
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0712209302
ExchangeOperator: pair fraction: ispin=0: 0.1870632774
ExchangeOperator: bisection time: 1.967 s
total exchange = -52.3940530953 (a.u.)
total exchange computation time: 3.4102849960 s
-154.2188251632
Anderson extrapolation: theta=2.1914015406 (2.0000000000)
-931.39453265
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0712209302
ExchangeOperator: pair fraction: ispin=0: 0.1870632774
ExchangeOperator: bisection time: 1.967 s
total exchange = -52.3937403983 (a.u.)
total exchange computation time: 3.4070391655 s
-154.2213865216
Anderson extrapolation: theta=0.3307925027 (0.3307925027)
-931.39454189
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0712209302
ExchangeOperator: pair fraction: ispin=0: 0.1870632774
ExchangeOperator: bisection time: 1.967 s
total exchange = -52.3936394574 (a.u.)
total exchange computation time: 3.4081900120 s
-154.2221412554
Anderson extrapolation: theta=1.2619426617 (1.2619426617)
-931.39454412
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0712209302
ExchangeOperator: pair fraction: ispin=0: 0.1870632774
ExchangeOperator: bisection time: 1.970 s
total exchange = -52.3935385621 (a.u.)
total exchange computation time: 3.4087631702 s
-154.2228163423
Anderson extrapolation: theta=0.4298432242 (0.4298432242)
-931.39454605
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0712209302
ExchangeOperator: pair fraction: ispin=0: 0.1870632774
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.3935230850 (a.u.)
total exchange computation time: 3.4080660343 s
-154.2228345358
Anderson extrapolation: theta=0.9458522585 (0.9458522585)
-931.39454666
239.188080 32.929167 201.305366
-141.159014 489.841995 -803.869236
98.029066 522.771162 -602.563870
803.730429
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0712209302
ExchangeOperator: pair fraction: ispin=0: 0.1870632774
ExchangeOperator: bisection time: 1.967 s
total exchange = -52.3935298331 (a.u.)
total exchange computation time: 3.4085969925 s
679.28423940
-1084.27304718
89.61392176
-388.75568858
-174.87044255
78.58562886
551.60419304
0.00000000
-931.39454698
-8.79257653 -3.77552396 3.29518712
0.00025032 -0.00037923 0.00029602
-0.00238320 -0.01348931 0.05292698
-17.90814727 4.66037046 6.62252250
0.00003052 -0.00038145 -0.00017167
0.01958736 0.03951744 0.01600184
-15.68744692 -0.95598815 0.58112032
-0.00000181 -0.00004549 -0.00012689
-0.00487633 -0.01523055 -0.02340911
3.51038181 -20.68223880 15.72489476
-0.00020542 0.00002743 -0.00018465
0.01145012 -0.00348126 0.00838074
7.38967832 15.86357736 -1.29567622
0.00022584 0.00024425 -0.00012803
0.00188309 -0.01429056 -0.00777005
-9.74156675 9.68664111 11.08674734
-0.00003841 -0.00018864 0.00022834
-0.01889645 0.01763427 0.00037442
-8.06521868 -0.66877411 -14.10802867
-0.00014307 0.00028944 -0.00017693
-0.00114513 0.03698404 0.02914002
-10.81558152 2.14195154 -7.34110862
-0.00006146 0.00029983 0.00057665
0.03008257 0.04125011 0.00920795
-0.18654308 -5.74126331 15.07668912
-0.00001865 -0.00002454 0.00033242
-0.00352251 0.00271151 -0.01181617
-25.30670896 -0.55007736 -20.82193897
-0.00042112 -0.00007863 0.00020571
-0.00602410 0.00023466 -0.01990374
8.89021639 7.50744612 7.85438153
-0.00009223 -0.00001785 0.00003023
-0.00362016 -0.00343460 -0.00795403
20.76291989 28.78179892 -4.83594167
-0.00004652 0.00016964 -0.00017566
-0.00280113 -0.01011772 -0.00553316
7.76895889 -1.61930332 -7.18364868
-0.00004161 -0.00001699 -0.00007363
-0.02175913 0.02216353 0.00638888
-9.52417191 -3.57720777 13.15700309
0.00025413 0.00019787 0.00055172
0.00412268 0.01158041 -0.00845160
-1.39364752 -22.73844974 13.85945592
0.00019351 -0.00006729 0.00005075
0.00627000 0.01501634 -0.00180034
-11.09250744 -8.68559473 -8.35788121
-0.00003480 -0.00006684 0.00026630
0.03927109 0.05969233 -0.04368056
-15.98966745 -8.53545133 -15.57393476
0.00020381 -0.00012250 0.00013685
-0.01137991 0.02938304 -0.00239099
16.42859221 12.56199688 3.49353921
0.00037070 0.00020358 0.00018586
0.00223717 0.00104490 -0.00003546
20.36818329 -4.61613579 -14.72175880
-0.00036662 0.00006670 0.00002495
-0.00794962 0.00843673 -0.01088846
-0.69924995 8.14367409 -14.80878828
0.00038454 0.00016381 -0.00017545
-0.00855767 -0.00091388 0.01233186
0.83629456 -0.90078420 -16.68476868
-0.00007382 0.00017083 -0.00034550
-0.01800479 0.01599628 0.00891432
11.53640340 21.11284650 -23.07486767
0.00032399 -0.00018037 -0.00017685
0.05132717 0.04207778 0.00668694
-11.27557054 15.15220418 -15.96563767
0.00013306 0.00026416 -0.00044257
0.00263205 -0.00593343 0.01500025
4.28802685 17.47489057 11.02725236
0.00015404 0.00027573 -0.00031357
0.03245611 -0.02067506 0.00456426
-2.05815293 -11.08326373 -3.53270840
-0.00006297 -0.00018687 -0.00021272
0.06861074 -0.01337587 0.02243337
1.20229609 -7.94407604 3.69067645
-0.00020486 -0.00042214 0.00001048
0.01298151 0.03100491 0.02342665
9.57535339 1.77389334 8.06034106
0.00014995 0.00022698 0.00022386
0.00073145 -0.02254834 0.01202537
-6.97414825 -9.50496357 -2.93315186
0.00024469 0.00023689 -0.00014522
0.00412318 0.02468803 -0.04221282
3.94407609 -12.58268359 -12.91307853
-0.00009003 0.00024413 -0.00013825
-0.00270823 -0.01624178 0.00597885
1.11081180 -4.64413518 -1.06440704
0.00012910 0.00015005 0.00015391
-0.01020021 0.02657767 -0.01078394
16.79320461 4.39906527 27.33964749
0.00036169 0.00024733 -0.00038267
0.00526535 -0.00315623 -0.00604206
-9.60022872 6.26347616 -4.51953779
0.00002388 -0.00051733 0.00017308
0.00908793 -0.03048811 0.00057459
-5.13441634 14.90944222 -9.06260630
0.00026904 0.00005017 -0.00031303
0.00657059 -0.00104940 0.00204834
3.09393277 12.18578284 -6.83158336
-0.00010748 -0.00003900 0.00001996
-0.02128063 -0.01175401 0.00619719
-4.32563775 11.75357589 -13.76520899
0.00035195 0.00017866 -0.00006584
-0.00150590 0.00060969 0.00088943
3.78413073 7.19075092 17.44425951
0.00024245 -0.00003271 -0.00012497
-0.02560599 0.01053072 -0.00013279
-15.09229128 8.84204380 -9.03574538
-0.00057249 -0.00010014 -0.00028413
-0.00609164 -0.01367143 0.02261441
3.73839629 9.15367412 0.31800534
-0.00006152 0.00033248 0.00046041
0.00057008 0.02074822 0.03298505
15.68120844 -23.99339363 -26.62189982
0.00031412 -0.00008157 -0.00007410
-0.00425953 0.00483644 -0.01951187
5.84779472 4.30047034 0.02724672
-0.00011208 -0.00018992 0.00029656
0.00779830 -0.02187333 -0.01138284
16.98176722 -5.33355077 0.46575465
0.00024329 0.00007894 -0.00010259
0.01445276 0.00754329 0.01989718
-4.50012930 2.57182671 -2.79194176
-0.00038081 -0.00023415 0.00037456
-0.00816900 0.04343800 0.03822461
0.97421852 2.32096550 -11.92847208
-0.00014094 0.00010324 0.00043617
-0.04413753 -0.01480857 -0.01488134
15.64716507 9.04346095 -7.51530076
-0.00018662 -0.00022673 0.00005223
-0.01309435 0.00859315 0.01535669
-6.17710844 0.95931431 12.69498763
-0.00035499 -0.00003467 0.00035691
0.03175027 -0.01563770 -0.03721014
-3.42819670 -16.22567186 12.60208416
-0.00020236 0.00017254 0.00047850
0.01681375 0.05017916 -0.01845812
6.99399868 -7.04995765 -5.92095321
0.00002278 0.00011732 -0.00018042
0.02092152 0.02015897 -0.01639717
-1.18479761 -11.52600883 1.70893832
0.00016432 0.00003272 -0.00032178
-0.00098416 -0.01756665 -0.01404259
-16.41774189 -1.79399114 5.07490255
0.00022874 0.00002804 0.00019640
0.01597135 0.00472676 0.00162231
-8.96440178 3.76519307 -21.77320514
-0.00029605 -0.00048082 -0.00043844
-0.00063994 0.02748172 0.02059997
2.18684927 1.27728602 -1.30760221
0.00013217 -0.00002567 0.00013402
0.03619368 0.01833812 -0.06397311
12.35117762 8.64000038 3.82856615
0.00014270 -0.00037621 0.00009851
0.03196274 0.00499632 0.01984824
-7.28547059 -4.23810381 2.36328356
-0.00064292 0.00081125 0.00075952
-0.00489904 -0.00101795 -0.01524907
-9.92933276 -2.64809054 2.50252200
-0.00128607 -0.00131308 -0.00033525
-0.00149395 0.01239959 -0.02607958
-16.66310155 6.08362474 6.91126928
0.00037723 -0.00004978 0.00002750
-0.02320882 -0.02012795 0.00152255
-17.00850618 3.80022270 5.34564608
-0.00004775 -0.00021430 -0.00011905
0.00314156 -0.01768195 -0.02027608
-15.70728534 0.89657945 0.75734577
-0.00065838 0.00120568 -0.00002504
-0.01173038 -0.00439754 -0.00820884
-17.15570479 -1.62091546 -0.40107300
0.00129318 -0.00046590 0.00123524
0.01466961 0.02369776 0.00964075
1.91781886 -21.24234773 14.95545064
-0.00114139 0.00040900 -0.00022091
0.00601879 0.01800553 -0.00021582
4.01348659 -18.89900333 15.73326133
-0.00085016 -0.00011440 -0.00006434
-0.02244471 -0.00850036 -0.00486055
8.40914134 14.29514502 -1.24783229
0.00023062 -0.00023054 -0.00049203
-0.00654049 0.00081292 0.00711965
7.74365654 16.77734685 0.18717034
-0.00079442 -0.00085523 0.00017127
0.00651915 0.01191241 0.01770459
-8.61118140 9.05216429 12.38485215
0.00020497 0.00037678 -0.00033211
0.00636114 0.00204460 0.00138806
-10.43091518 11.22186232 12.03026335
-0.00053766 0.00055092 -0.00091582
0.00645587 -0.02413629 -0.01534157
-9.73235466 0.19966198 -14.04456221
-0.00148008 0.00015720 -0.00120208
0.00778990 -0.00618793 -0.00525145
-8.24211772 -2.06519787 -15.17248819
-0.00026453 -0.00069902 0.00003885
-0.00539034 -0.02626590 -0.02809915
-12.19806355 1.13561857 -6.84101017
-0.00068492 -0.00027674 -0.00078410
-0.01430872 -0.01539178 0.00928351
-10.45275279 3.51011263 -6.01101187
-0.00035449 0.00037728 0.00037559
-0.00946996 -0.02136609 -0.02321690
-1.89287707 -6.08051141 14.46007273
-0.00067850 0.00024018 -0.00012290
-0.00083168 -0.00733576 0.00333790
-0.23012212 -5.79855759 16.88163408
-0.00013813 0.00017374 -0.00039201
-0.00268611 0.00317525 0.01460921
-24.72358239 -0.44366841 -19.13872725
-0.00105234 -0.00042277 -0.00043306
0.01309255 0.00241898 0.02107721
-25.61818522 1.14464553 -21.43982358
0.00003883 -0.00062048 0.00024399
0.00261394 -0.00444163 -0.00499837
9.57163749 8.66400151 6.58666308
-0.00037394 0.00107231 0.00002767
0.00623372 -0.01213342 0.00499562
10.06838627 7.60396192 9.26332654
0.00024523 0.00002848 0.00004175
0.00177841 0.01057698 -0.00144080
19.75956183 27.39933956 -4.10147756
-0.00006533 -0.00010249 -0.00009452
0.00401409 0.00680776 -0.00053777
20.07340755 30.47572419 -4.29929232
0.00026134 -0.00049727 -0.00025997
0.00655861 -0.00859420 0.00011939
6.42813898 -0.28577183 -6.81741173
-0.00047420 0.00029063 0.00007814
0.01756997 -0.03338240 -0.00941435
6.88565753 -3.24138910 -7.23065192
0.00106938 0.00018518 -0.00007794
0.00196610 0.00388966 0.00183169
-8.56119817 -2.35816674 12.10224933
0.00062596 0.00029173 -0.00007664
-0.02333060 -0.01261943 0.01466058
-11.00898443 -2.73061318 13.93661312
-0.00015136 -0.00119838 -0.00095244
0.01410916 -0.00338692 -0.01255093
-1.45448315 -24.41231211 14.51128860
-0.00044368 0.00047561 0.00113214
0.01003467 -0.02034866 0.00618642
-3.11257468 -22.37696750 13.39335565
0.00044036 0.00033465 0.00027903
-0.00962639 0.00701108 0.00419307
-12.26951498 -7.79151208 -7.28017104
0.00132282 0.00052820 -0.00012858
-0.02287263 -0.00456712 0.01237873
-10.32860935 -7.11271293 -9.35492705
-0.00068750 -0.00080457 0.00035760
-0.02162483 -0.04781254 0.03634120
-16.08087254 -10.28947758 -15.33344673
-0.00044069 0.00046742 -0.00123453
-0.00213682 -0.03102407 0.00232238
-14.29326028 -8.06532047 -16.12284000
0.00029911 0.00009168 -0.00022998
0.00586724 0.00105500 0.00037756
16.72053513 12.57964005 5.30469886
0.00038549 0.00017884 -0.00013060
0.00283043 -0.00008542 0.00569750
17.38273238 14.00686963 2.90119857
0.00053163 0.00046837 -0.00065332
-0.00614797 -0.00079877 -0.00207438
18.71433616 -3.90773200 -15.17802316
-0.00095583 -0.00079544 0.00038690
0.01711228 -0.00888099 0.00444885
21.58241800 -3.33188401 -15.39762720
0.00062600 0.00053336 -0.00032311
-0.00944259 -0.00162887 0.00565011
-1.89542966 7.26472944 -13.75015755
0.00038723 -0.00010830 0.00045959
-0.00572184 0.00207982 0.00921027
0.08626350 6.69607603 -15.52725501
0.00022135 -0.00003934 -0.00113752
0.01642922 -0.01016160 -0.01759683
1.01952786 0.39968698 -15.38367733
-0.00012407 0.00028911 -0.00053561
-0.00573644 -0.00196116 0.00189349
2.57254388 -1.10294475 -17.17645293
-0.00118261 0.00048812 -0.00041716
0.02295850 -0.00747299 -0.00319360
12.09881107 22.99681821 -22.74615111
0.00014098 -0.00077489 0.00044773
-0.02621784 -0.04697141 -0.00272770
9.75716772 20.92506388 -23.19313082
0.00069670 0.00069301 0.00026674
-0.02008524 0.00820100 0.00009913
-10.14022809 16.25865599 -16.99017495
0.00001143 -0.00061322 -0.00000465
-0.00170341 -0.00554465 0.00934122
-10.68841177 14.74481642 -14.24820683
-0.00083395 0.00068298 -0.00028428
0.00170766 0.01061833 -0.02681875
2.76458309 18.31537484 11.13527820
0.00121432 0.00029173 0.00056559
-0.04490754 0.01898234 0.01280814
4.75768584 17.82871375 9.33702124
0.00054132 0.00020049 -0.00049621
0.01262429 0.00179816 -0.02145383
-3.63315076 -10.41945136 -3.29513974
0.00007184 0.00033770 0.00153924
-0.06560834 0.02381941 0.00440266
-1.38753418 -11.06380204 -1.74037650
-0.00092749 -0.00017966 -0.00049009
-0.00488675 -0.00440082 -0.01972220
0.35756372 -6.68329033 4.80168284
-0.00028222 -0.00069310 -0.00027351
0.00291597 -0.01712416 -0.01001100
2.95721077 -7.91779243 4.31089887
0.00074718 -0.00092228 0.00052021
-0.00647007 -0.00385962 -0.00094137
8.89499596 2.05947995 9.72794576
-0.00180091 0.00012549 -0.00031028
-0.00030888 -0.00321111 0.00043226
9.47696890 3.38733237 7.30093799
0.00026300 0.00017198 0.00001664
0.00011119 0.02752378 -0.01121175
-7.79897512 -9.02353967 -4.56133376
-0.00092969 0.00008936 0.00042500
0.01305090 -0.00486353 0.02459531
-8.34013909 -10.15877581 -1.99870657
0.00035758 0.00032823 -0.00063502
-0.02310390 -0.01342602 0.01906656
5.00344233 -13.80453735 -11.97752952
0.00018676 0.00020494 0.00040554
-0.01102481 0.01442342 -0.01047678
2.27257957 -13.34695590 -13.22673604
0.00027766 0.00046945 -0.00119472
0.01073265 0.00724465 0.00101834
1.29752950 -6.05833315 -0.01513350
0.00010102 -0.00050670 0.00051704
0.01046404 -0.03182613 0.01712654
-0.13595343 -3.72720629 -0.08583091
0.00007773 0.00040553 -0.00017971
-0.00177377 0.00513637 -0.00770392
17.52477818 3.62455844 25.83912636
0.00018005 -0.00037609 -0.00046417
-0.00612609 0.00433717 0.01204448
16.21970444 3.00827077 28.37245377
0.00035796 -0.00021557 0.00115303
-0.00065167 -0.00284257 -0.00311403
-11.00882333 7.26871647 -4.11329373
0.00058652 0.00042945 -0.00046737
-0.02265332 0.02186643 0.01020133
-8.53992404 7.24023265 -5.64514806
-0.00035392 0.00040812 -0.00036291
0.00886243 0.01207370 -0.00011611
-6.39756309 16.21570279 -9.27875607
-0.00015621 0.00002963 0.00039240
0.00147880 -0.00385764 0.00065221
-4.74694747 14.16420765 -10.69973030
0.00012430 -0.00009841 -0.00049328
-0.00239463 0.00248914 -0.00100209
2.99284966 10.40201930 -6.18040728
-0.00014416 0.00006742 0.00069987
-0.00160028 0.03071903 -0.00626404
1.49482901 13.15906498 -6.54138625
-0.00034506 0.00032292 -0.00072488
0.02243028 -0.01889373 -0.00474534
-2.73659716 10.93774186 -14.31017077
-0.00074567 0.00041362 0.00049071
-0.01836628 0.00022602 0.00514676
-5.67632232 10.50973541 -13.55833820
0.00086155 -0.00004733 0.00015246
0.01265194 0.00176946 0.00155038
3.86524192 7.98687014 19.13608486
0.00047306 0.00023934 0.00019051
0.00579806 -0.00658039 -0.00601610
1.89682111 7.05640671 17.23869386
0.00007866 0.00069205 -0.00002828
0.01346475 -0.00807426 0.00437074
-13.41245050 8.65603683 -8.40360372
0.00051061 -0.00022666 0.00052339
0.01849447 0.00465118 -0.01031218
-15.95014202 8.10605188 -7.57025356
0.00023023 0.00034367 -0.00013415
-0.01198106 0.00657621 -0.00535612
5.31549633 10.29282302 0.46907858
0.00086833 0.00024506 -0.00126759
-0.03410787 -0.02687239 0.00103638
2.44782167 9.36794025 1.75908292
-0.00108167 -0.00009725 -0.00015917
0.03467187 -0.00040812 -0.04126639
14.24750932 -24.10032117 -25.47968399
0.00040181 0.00050722 0.00024876
-0.00977957 0.00144263 -0.00219044
14.96571700 -23.47360848 -28.29213067
-0.00028061 -0.00055133 -0.00089464
0.00954270 -0.01009053 0.02805075
4.82606055 3.28550636 -1.15774629
-0.00089284 -0.00005510 -0.00025242
0.00260738 0.01461584 0.01745201
4.90498560 5.85232983 0.20798822
-0.00065123 -0.00016229 -0.00017743
-0.00039723 0.00991686 0.00496596
16.92876871 -3.84280039 -0.51190541
-0.00027661 0.00070163 -0.00003916
0.00876052 0.02618300 -0.00753511
16.80395119 -6.56182180 -0.79113368
-0.00006144 -0.00012208 0.00008243
-0.01204221 -0.03572793 -0.02329737
-5.78234605 3.30064600 -1.55737398
-0.00018743 -0.00148514 -0.00068203
0.01821088 -0.01775570 -0.02945875
-5.04298347 0.89970138 -3.23986803
-0.00030213 0.00073231 -0.00042311
-0.01070578 -0.01605494 -0.00835925
2.46951313 2.87104918 -11.19969542
-0.00016569 0.00006707 -0.00072384
0.03260976 0.01128860 0.01276946
-0.08817630 1.60535488 -10.58446873
-0.00003825 0.00088902 -0.00108520
0.01394066 -0.00020653 -0.01041822
16.69497558 7.71357957 -8.27064317
-0.00068640 -0.00048528 0.00117025
0.02142360 0.00849894 -0.00395013
16.47294696 10.68587881 -7.34383402
-0.00104776 0.00035686 0.00071298
-0.00062043 -0.01716023 -0.00642106
-6.40663831 0.47634228 10.90116459
-0.00054726 -0.00047795 -0.00039328
0.00704438 -0.00067378 0.00672844
-7.74523699 1.71131067 12.98719644
0.00027639 0.00046935 0.00025319
-0.04267379 0.01914495 0.02474470
-2.19803092 -16.20895111 13.94708840
0.00010503 -0.00199932 -0.00042627
0.00427808 -0.00059074 0.01494764
-4.21587961 -17.76798288 12.57775944
-0.00024351 0.00127073 0.00024701
-0.02151306 -0.05635274 0.00061048
7.18372406 -6.43586671 -4.17189654
-0.00007124 0.00028230 -0.00072541
-0.00787799 -0.00266243 -0.00417971
5.65048230 -8.27402706 -6.03241774
-0.00000024 0.00055898 -0.00121685
-0.01207812 -0.00667472 0.00854075
-2.84997822 -11.68600660 2.42840671
-0.00025709 0.00030091 -0.00024543
-0.00539576 0.00039554 0.00175941
-0.27449150 -10.38331157 2.82290023
0.00053409 0.00012975 -0.00017227
0.00066999 0.01012421 0.00050351
-14.96897006 -0.90203595 5.85412555
0.00136242 0.00015882 -0.00037994
-0.01916193 -0.00899318 -0.00808789
-16.15256020 -1.69291377 3.13786081
0.00025906 -0.00035658 0.00049805
0.00405085 0.00093157 0.02870299
-9.59528520 4.91986013 -23.08452266
-0.00009559 -0.00000420 -0.00031685
0.00528102 -0.00443613 0.00751089
-8.99786042 4.81497857 -20.15452066
-0.00002153 -0.00029932 -0.00027017
-0.00006913 -0.01838423 -0.03198880
1.98623656 1.48802324 -3.22057565
-0.00059339 -0.00022129 -0.00020230
-0.00400259 -0.01295074 0.04458788
0.77555756 0.67661286 -0.47487173
-0.00044227 -0.00083477 -0.00043515
-0.04187274 -0.01355686 0.01070502
13.77735127 9.84017345 4.02537938
0.00075215 0.00019692 -0.00093388
-0.01531650 -0.01598635 -0.00353166
11.37560693 9.47481555 2.58409281
0.00010563 0.00017664 -0.00033076
-0.01904581 0.00923056 -0.02447475
5.47434588 -9.03334028 -10.65293328
-0.00005959 -0.00026679 0.00013644
-0.00166496 0.00055670 0.00150891
-13.02730874 10.43733031 21.14667516
-0.00002875 -0.00003992 0.00014448
0.00906420 0.00082820 -0.00157548
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06835788
0.32618911
434.63063122
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1864575446
ExchangeOperator: bisection time: 1.965 s
total exchange = -52.3941859124 (a.u.)
total exchange computation time: 3.4186968803 s
-154.1962200422
-931.39156278
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1864575446
ExchangeOperator: bisection time: 1.966 s
total exchange = -52.3935887655 (a.u.)
total exchange computation time: 3.4192719460 s
-154.2019303810
Anderson extrapolation: theta=1.3567402813 (1.3567402813)
-931.39180580
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1864575446
ExchangeOperator: bisection time: 1.964 s
total exchange = -52.3926732825 (a.u.)
total exchange computation time: 3.4186100960 s
-154.2105017488
Anderson extrapolation: theta=0.0552043693 (0.0552043693)
-931.39195285
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1864575446
ExchangeOperator: bisection time: 1.965 s
total exchange = -52.3925394255 (a.u.)
total exchange computation time: 3.4192988873 s
-154.2116677529
Anderson extrapolation: theta=2.0554480864 (2.0000000000)
-931.39195902
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1864575446
ExchangeOperator: bisection time: 1.964 s
total exchange = -52.3922476682 (a.u.)
total exchange computation time: 3.4188549519 s
-154.2141358558
Anderson extrapolation: theta=0.2610572707 (0.2610572707)
-931.39196616
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1864575446
ExchangeOperator: bisection time: 1.966 s
total exchange = -52.3921677838 (a.u.)
total exchange computation time: 3.4200561047 s
-154.2147473462
Anderson extrapolation: theta=1.6663463490 (1.6663463490)
-931.39196766
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1864575446
ExchangeOperator: bisection time: 1.965 s
total exchange = -52.3920577793 (a.u.)
total exchange computation time: 3.4203407764 s
-154.2155175733
Anderson extrapolation: theta=0.3229865633 (0.3229865633)
-931.39196931
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1864575446
ExchangeOperator: bisection time: 1.967 s
total exchange = -52.3920459878 (a.u.)
total exchange computation time: 3.4214050770 s
-154.2155260091
Anderson extrapolation: theta=1.1770609745 (1.1770609745)
-931.39196973
239.141359 32.956215 201.266198
-141.189726 489.862958 -803.935935
97.951633 522.819173 -602.669737
803.831588
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1864575446
ExchangeOperator: bisection time: 1.966 s
total exchange = -52.3920497072 (a.u.)
total exchange computation time: 3.4197840691 s
679.26689939
-1084.23004231
89.61489597
-388.78490869
-174.86676464
78.56109877
551.60419304
0.00000000
-931.39196999
-8.78883094 -3.78126448 3.29983153
0.00024618 -0.00038446 0.00032362
-0.01370176 -0.00685509 0.05441250
-17.90761389 4.65480119 6.62000923
0.00004083 -0.00036059 -0.00016311
0.02050660 0.04160053 0.01726759
-15.68749290 -0.95672927 0.57912672
-0.00000223 -0.00005040 -0.00013722
0.00323245 -0.00385461 -0.01676932
3.50734467 -20.68184079 15.72215730
-0.00020083 0.00002485 -0.00018096
0.00641656 -0.00655356 0.00596625
7.39307314 15.86718602 -1.29762666
0.00022698 0.00023586 -0.00013305
0.00257692 -0.01833836 -0.01174003
-9.74221579 9.68387956 11.09017382
-0.00004882 -0.00017901 0.00022781
-0.02159027 0.01980015 -0.00243542
-8.06736920 -0.66428991 -14.11057023
-0.00014532 0.00030768 -0.00016314
-0.00757909 0.03397329 0.02449856
-10.81638736 2.14660804 -7.33242333
-0.00004682 0.00032016 0.00058130
0.02685820 0.03783686 0.00888309
-0.18683648 -5.74162094 15.08162989
-0.00002157 -0.00002335 0.00032440
-0.00779870 0.00191256 -0.01938237
-25.31304895 -0.55125589 -20.81893012
-0.00042452 -0.00007963 0.00019415
-0.00722473 -0.00412193 -0.02505604
8.88881904 7.50716513 7.85480436
-0.00009346 -0.00001893 0.00002578
-0.00118261 -0.00074989 -0.00937902
20.76221127 28.78430451 -4.83859791
-0.00004776 0.00016313 -0.00017854
-0.00201171 -0.01520054 -0.00566162
7.76825084 -1.61947267 -7.18472855
-0.00005246 -0.00000397 -0.00007025
-0.02043467 0.02845716 0.00676832
-9.52034408 -3.57419510 13.16524635
0.00025795 0.00020337 0.00054621
0.01072278 0.00982020 -0.01299054
-1.39072069 -22.73940113 13.86021019
0.00019711 -0.00005961 0.00004989
0.00773343 0.01483178 -0.00155527
-11.09287795 -8.68636701 -8.35405517
-0.00001415 -0.00003733 0.00024345
0.04103188 0.05505247 -0.04517862
-15.98665413 -8.53717550 -15.57189124
0.00019850 -0.00010563 0.00013534
-0.00927869 0.03623040 -0.00348809
16.43416141 12.56505467 3.49632693
0.00037222 0.00020483 0.00018484
0.00366026 0.00378807 -0.00390010
20.36265340 -4.61510273 -14.72142654
-0.00036974 0.00007180 0.00001895
-0.00418302 0.01140884 -0.01245860
-0.69351487 8.14612775 -14.81137239
0.00038000 0.00016208 -0.00016903
-0.00909749 -0.00583470 0.01263127
0.83511777 -0.89816010 -16.68991679
-0.00008490 0.00017918 -0.00034036
-0.02507275 0.01649826 0.01108340
11.54146125 21.11030329 -23.07749460
0.00035098 -0.00015919 -0.00017328
0.05363191 0.04029398 0.00719224
-11.27356454 15.15614367 -15.97221829
0.00013332 0.00026040 -0.00043458
-0.00158996 -0.00869695 0.01605275
4.29046257 17.47894679 11.02256638
0.00017279 0.00026406 -0.00031201
0.04048646 -0.02472086 0.00152723
-2.05883280 -11.08611840 -3.53581260
-0.00002954 -0.00019302 -0.00020150
0.06137001 -0.01052072 0.02116849
1.19927329 -7.95028857 3.69092408
-0.00019625 -0.00040666 0.00002269
0.02048159 0.02920421 0.02403035
9.57760539 1.77721106 8.06374527
0.00015005 0.00021563 0.00023030
-0.00034037 -0.02158917 0.01304811
-6.97046195 -9.50131495 -2.93549298
0.00024692 0.00024975 -0.00016718
0.00454285 0.02532410 -0.04320208
3.94271521 -12.57908433 -12.91512924
-0.00009054 0.00023569 -0.00013486
0.00070442 -0.01658005 0.00722139
1.11270891 -4.64178194 -1.06214002
0.00012418 0.00016219 0.00014935
-0.00893876 0.02063752 -0.00692111
16.79865022 4.40276298 27.33388407
0.00036381 0.00024385 -0.00038469
0.00300884 -0.01034021 -0.00180368
-9.59983542 6.25559866 -4.51693937
0.00002911 -0.00053187 0.00017260
0.01122070 -0.02607792 -0.00245819
-5.13035533 14.91019068 -9.06729384
0.00027226 0.00004971 -0.00031217
0.00591758 -0.00071747 0.00127823
3.09223846 12.18515243 -6.83126011
-0.00011862 -0.00004492 0.00002317
-0.02202195 -0.01125421 0.00630021
-4.32036435 11.75625810 -13.76619316
0.00034963 0.00017990 -0.00006479
-0.00749407 0.00420660 0.00318727
3.78766872 7.19030094 17.44238450
0.00022920 -0.00002694 -0.00012441
-0.02590621 0.01189711 0.00229784
-15.10090219 8.84048903 -9.03992012
-0.00057255 -0.00010711 -0.00027209
0.00586737 -0.01346751 0.02421803
3.73747572 9.15874136 0.32503871
-0.00006091 0.00034295 0.00047675
0.00179889 0.01996563 0.03056998
15.68590380 -23.99459858 -26.62308660
0.00031136 -0.00007884 -0.00008500
-0.00648103 0.00579101 -0.02288263
5.84614354 4.29753718 0.03165116
-0.00010908 -0.00020125 0.00028999
0.00386675 -0.02219233 -0.01414915
16.98547237 -5.33233752 0.46429251
0.00025067 0.00008355 -0.00009312
0.01423476 0.01035809 0.01692480
-4.50587295 2.56848195 -2.78617590
-0.00038351 -0.00021149 0.00039334
-0.00233650 0.04468411 0.03481308
0.97193412 2.32245696 -11.92198689
-0.00016315 0.00009631 0.00042595
-0.04220150 -0.01215068 -0.02487046
15.64431521 9.04009322 -7.51445812
-0.00019414 -0.00022147 0.00006056
-0.01615363 0.01184872 0.01704140
-6.18231079 0.95873394 12.70019771
-0.00033817 -0.00004341 0.00033648
0.03364413 -0.01836698 -0.04224124
-3.43116729 -16.22289015 12.60919044
-0.00019301 0.00019989 0.00046866
0.01957125 0.05617632 -0.01981917
6.99442114 -7.04812015 -5.92372272
0.00003385 0.00012773 -0.00018960
0.02211809 0.02034470 -0.01930660
-1.18233665 -11.52558577 1.70405751
0.00016333 0.00002388 -0.00032841
-0.00285186 -0.01681280 -0.01174639
-16.41424922 -1.79355232 5.07785476
0.00023791 0.00003098 0.00019794
0.01969822 0.00669238 0.00438044
-8.96884505 3.75808684 -21.77970225
-0.00029645 -0.00046635 -0.00042770
-0.00089107 0.02878252 0.02116168
2.18897136 1.27697177 -1.30583863
0.00014913 -0.00001667 0.00010140
0.02978608 0.01662628 -0.06290730
12.35344137 8.63437653 3.83012041
0.00015921 -0.00037214 0.00010770
0.03224776 0.01082578 0.01588104
-7.29526445 -4.22596622 2.37420913
-0.00064783 0.00080260 0.00068789
0.00249509 -0.00321721 -0.01981556
-9.94866952 -2.66740673 2.49669412
-0.00128376 -0.00127033 -0.00043620
0.00262414 0.00852730 -0.02333900
-16.65815435 6.08226127 6.91172849
0.00027946 -0.00013553 0.00003282
-0.02464600 -0.02184919 0.00107994
-17.00912621 3.79646639 5.34323906
-0.00003380 -0.00028722 -0.00020335
0.00368791 -0.01801461 -0.02099188
-15.71752051 0.91452985 0.75671858
-0.00070614 0.00117162 -0.00005994
-0.01164614 -0.01227578 -0.00887508
-17.13585761 -1.62717778 -0.38224904
0.00133686 -0.00037595 0.00126291
0.00671162 0.02033325 0.00390760
1.90088250 -21.23566091 14.95213042
-0.00110889 0.00048367 -0.00021779
0.00988729 0.01854438 0.00174042
4.00004642 -18.90097977 15.73214728
-0.00093949 -0.00014437 -0.00008361
-0.02128380 -0.00617117 -0.00457078
8.41240020 14.29171184 -1.25499461
0.00020111 -0.00022277 -0.00046278
-0.00790622 0.00299211 0.00720111
7.73194002 16.76488351 0.19028185
-0.00076635 -0.00080264 0.00025119
0.00722159 0.01382999 0.02141712
-8.60791190 9.05787870 12.37991301
0.00023396 0.00038391 -0.00032124
0.00782979 0.00144468 0.00393146
-10.43878228 11.22938655 12.01605589
-0.00050912 0.00044841 -0.00097773
0.00751793 -0.02604194 -0.01496005
-9.75431720 0.20183040 -14.06275436
-0.00143712 0.00012779 -0.00122184
0.01324293 -0.00820887 -0.00442239
-8.24625085 -2.07648801 -15.17276647
-0.00028414 -0.00079546 -0.00006725
-0.00420763 -0.02094484 -0.02384001
-12.20877583 1.13099576 -6.85248720
-0.00073627 -0.00033401 -0.00074786
-0.01082871 -0.01263796 0.00845696
-10.45836036 3.51511715 -6.00608953
-0.00039391 0.00029038 0.00028280
-0.00982612 -0.02117591 -0.02220361
-1.90308009 -6.07713349 14.45833153
-0.00067264 0.00021186 -0.00010595
0.00370353 -0.00652733 0.00495781
-0.23227638 -5.79585414 16.87620163
-0.00014953 0.00018613 -0.00032031
-0.00289505 0.00288815 0.02049008
-24.73896632 -0.44993590 -19.14457730
-0.00099468 -0.00041226 -0.00033367
0.01513163 0.00272649 0.02757439
-25.61752273 1.13520222 -21.43631689
0.00004787 -0.00063005 0.00022057
0.00181368 -0.00024025 -0.00646727
9.56621941 8.67971428 6.58723116
-0.00035129 0.00101719 0.00005343
0.00485370 -0.01484396 0.00761509
10.07211927 7.60471322 9.26390871
0.00025041 0.00007137 0.00003342
0.00075385 0.01041656 -0.00263745
19.75870493 27.39801081 -4.10291180
-0.00004723 -0.00007181 -0.00009761
0.00484360 0.00820943 -0.00097373
20.07752866 30.46800185 -4.30318815
0.00028456 -0.00052601 -0.00025759
0.00480757 -0.00547420 0.00104283
6.42156443 -0.28243533 -6.81652805
-0.00039979 0.00015014 0.00003879
0.01885382 -0.03538635 -0.00984837
6.90175849 -3.23849220 -7.23176486
0.00107121 0.00019267 -0.00007042
-0.00106949 -0.00022489 0.00184771
-8.55252364 -2.35417748 12.10154904
0.00052603 0.00023652 -0.00001232
-0.02558987 -0.01440836 0.01682222
-11.01082246 -2.74869262 13.92194195
-0.00010244 -0.00120471 -0.00099851
0.00983622 0.00028580 -0.01000113
-1.46083088 -24.40580151 14.52846032
-0.00040291 0.00039218 0.00115783
0.00992294 -0.02049078 0.00638779
-3.10626420 -22.37173290 13.39766958
0.00039813 0.00036406 0.00029516
-0.01104727 0.00738565 0.00370288
-12.25037353 -7.78372906 -7.28172037
0.00122119 0.00051348 -0.00007042
-0.02687697 -0.00263704 0.01609013
-10.33958455 -7.12624667 -9.34844940
-0.00077065 -0.00099437 0.00050107
-0.01907804 -0.04509276 0.03388537
-16.08754843 -10.28341688 -15.35189345
-0.00044993 0.00032813 -0.00122362
-0.00238245 -0.03716199 0.00301403
-14.28859384 -8.06391300 -16.12627808
0.00031950 0.00009466 -0.00022764
0.00411434 0.00040389 0.00076645
16.72640425 12.58232004 5.30291437
0.00039819 0.00017932 -0.00010354
0.00338672 0.00032030 0.00754954
17.39051844 14.01387072 2.89133519
0.00050212 0.00045876 -0.00065798
-0.00829885 -0.00390687 -0.00020859
18.70052311 -3.91993570 -15.17208339
-0.00088331 -0.00083029 0.00040439
0.01838446 -0.00817826 0.00411535
21.59151870 -3.32393351 -15.40230073
0.00057735 0.00051965 -0.00029658
-0.01437367 -0.00508262 0.00733898
-1.88979655 7.26316871 -13.74298148
0.00036999 -0.00009671 0.00049202
-0.00271845 0.00359375 0.00666659
0.09008715 6.69517460 -15.54485703
0.00028332 -0.00007381 -0.00120495
0.01390856 -0.00671297 -0.01541110
1.01749106 0.40396351 -15.39165340
-0.00014768 0.00028156 -0.00052713
-0.00581977 -0.00173562 0.00225421
2.55550831 -1.09585201 -17.18280816
-0.00107426 0.00045555 -0.00043514
0.03007726 -0.00846867 -0.00561007
12.10012236 22.98375556 -22.73951878
0.00003640 -0.00096173 0.00043651
-0.02497660 -0.04449004 -0.00276128
9.76700277 20.93571035 -23.18912663
0.00060670 0.00072452 0.00026639
-0.02397348 0.00722414 -0.00027099
-10.14010889 16.24928772 -16.98995839
0.00001069 -0.00063014 0.00002854
0.00134543 -0.00273717 0.00690231
-10.70086874 14.75538653 -14.25329291
-0.00082501 0.00072547 -0.00039031
0.00267014 0.01018172 -0.02507965
2.78142174 18.32033241 11.14415452
0.00101757 0.00037765 0.00061849
-0.05140127 0.02307568 0.01308855
4.76619246 17.83177623 9.32892072
0.00058981 0.00020732 -0.00057820
0.01111211 0.00154630 -0.01868250
-3.63408364 -10.41365593 -3.27191630
-0.00018755 0.00043111 0.00155314
-0.06136467 0.02190290 0.00240317
-1.40159624 -11.06663181 -1.74833224
-0.00094061 -0.00019884 -0.00056460
-0.00153737 -0.00498626 -0.01674818
0.35341977 -6.69421155 4.79727339
-0.00027152 -0.00075975 -0.00031121
0.00232247 -0.01550093 -0.00844175
2.96822023 -7.93174489 4.31867321
0.00070731 -0.00093716 0.00051234
-0.01304590 -0.00342244 -0.00291396
8.86797278 2.06126393 9.72330477
-0.00180012 0.00011161 -0.00031183
0.00069676 -0.00358610 -0.00118952
9.48091727 3.39075550 7.30084402
0.00026378 0.00028301 -0.00002859
0.00027052 0.02682776 -0.01092632
-7.81252051 -9.02234838 -4.55420507
-0.00087415 0.00007093 0.00052285
0.01413756 -0.00415603 0.02330176
-8.33548340 -10.15426383 -2.00764766
0.00025992 0.00027058 -0.00055186
-0.02470017 -0.01479339 0.02164301
5.00590593 -13.80102121 -11.97176744
0.00013789 0.00026675 0.00035969
-0.01289966 0.01583318 -0.01196861
2.27707330 -13.33969210 -13.24462567
0.00031823 0.00049661 -0.00119014
0.00912704 0.00605021 0.00122411
1.29936539 -6.06690892 -0.00685306
0.00014109 -0.00062374 0.00057849
0.00915251 -0.02546416 0.01295439
-0.13484182 -3.72096587 -0.08876256
0.00007046 0.00042540 -0.00021038
-0.00178552 0.00458730 -0.00731100
17.52729115 3.61904994 25.83253290
0.00015352 -0.00035760 -0.00041195
-0.00686125 0.00471558 0.01351595
16.22505380 3.00495015 28.38965383
0.00036135 -0.00021345 0.00112864
0.00231524 0.00387877 -0.00882634
-11.00071973 7.27582825 -4.11999162
0.00049279 0.00051709 -0.00042425
-0.02322516 0.02103273 0.01090389
-8.54496127 7.24672438 -5.65059531
-0.00032054 0.00045094 -0.00035849
0.00747671 0.00888919 0.00228323
-6.39986091 16.21602908 -9.27285004
-0.00014811 0.00001157 0.00039448
0.00248674 -0.00498339 0.00036414
-4.74515632 14.16280771 -10.70716026
0.00011360 -0.00008650 -0.00049507
-0.00284633 0.00334528 0.00012837
2.99063827 10.40397189 -6.17010115
-0.00015069 0.00019379 0.00067331
-0.00159851 0.03113915 -0.00673923
1.49034041 13.16332976 -6.55240490
-0.00025161 0.00024456 -0.00074384
0.02331341 -0.01946077 -0.00453635
-2.74834499 10.94395309 -14.30265247
-0.00080531 0.00040828 0.00050670
-0.01083020 -0.00283912 0.00268333
-5.66301145 10.50907972 -13.55600378
0.00091020 -0.00004116 0.00015914
0.01116257 0.00124815 0.00171846
3.87251547 7.99025860 19.13875818
0.00049611 0.00021023 0.00016171
0.00548519 -0.00767035 -0.00808414
1.89841363 7.06654008 17.23840365
0.00013465 0.00065848 -0.00001042
0.01394057 -0.00836152 0.00437148
-13.40422466 8.65277939 -8.39606885
0.00056643 -0.00020538 0.00047289
0.00883173 0.00576967 -0.01441049
-15.94705574 8.11140842 -7.57242988
0.00017675 0.00036777 -0.00015118
-0.01419644 0.00521991 -0.00298304
5.32747612 10.29567540 0.45009643
0.00072448 0.00013410 -0.00125986
-0.03630933 -0.02744044 0.00274973
2.43265909 9.36646893 1.75543079
-0.00093749 -0.00009666 -0.00032695
0.03590535 0.00070149 -0.04086212
14.25323676 -24.09266861 -25.47601973
0.00036286 0.00051295 0.00023821
-0.00928314 0.00136209 -0.00297107
14.96180030 -23.48218766 -28.30469069
-0.00023841 -0.00059459 -0.00077180
0.01111164 -0.01108647 0.03207923
4.81274786 3.28512769 -1.16099781
-0.00087685 0.00000758 -0.00017607
0.00522164 0.01607050 0.01992410
4.89520501 5.85019944 0.20547893
-0.00065010 -0.00012426 -0.00015612
0.00095080 0.00869889 0.00546728
16.92488794 -3.83147359 -0.51272374
-0.00024074 0.00079893 -0.00006526
0.00880073 0.02144329 -0.00524019
16.80266063 -6.56474787 -0.79061108
-0.00011019 -0.00026444 -0.00001162
-0.01182105 -0.03395789 -0.02274400
-5.78459945 3.27782474 -1.56850711
-0.00012220 -0.00154993 -0.00079233
0.01371939 -0.01395779 -0.02453452
-5.04784344 0.91019410 -3.24647084
-0.00034779 0.00065665 -0.00046091
-0.01164878 -0.02098429 -0.01014322
2.46802698 2.87240115 -11.21016167
-0.00002600 0.00011535 -0.00066750
0.03576909 0.01234284 0.01480676
-0.08832280 1.61868379 -10.60106597
0.00000852 0.00088093 -0.00111180
0.00895085 -0.00375225 -0.00260357
16.68533602 7.70656076 -8.25321053
-0.00059332 -0.00045302 0.00115182
0.02413992 0.00729493 -0.00506833
16.45721155 10.69070590 -7.33333609
-0.00104936 0.00028341 0.00068607
-0.00016243 -0.01879356 -0.00674909
-6.41463139 0.46915231 10.89547163
-0.00051817 -0.00047745 -0.00035583
0.00719835 0.00092232 0.01160115
-7.74239879 1.71893759 12.99175252
0.00009774 0.00054976 0.00035437
-0.04477783 0.02021611 0.02478466
-2.19632441 -16.23895901 13.94115235
0.00012728 -0.00199901 -0.00036139
0.00661490 0.00074460 0.01681159
-4.22019156 -17.75064871 12.58148323
-0.00034121 0.00102457 0.00024695
-0.02630873 -0.06414445 -0.00063978
7.18241410 -6.43171378 -4.18290584
-0.00010412 0.00027238 -0.00073708
-0.00822012 -0.00219342 -0.00153087
5.65010856 -8.26584694 -6.05040871
-0.00005187 0.00053014 -0.00118034
-0.01319611 -0.00744149 0.00932946
-2.85399989 -11.68148085 2.42477911
-0.00027305 0.00030319 -0.00024011
-0.00241642 0.00072229 0.00084826
-0.26645958 -10.38105515 2.82033168
0.00053394 0.00016849 -0.00017271
-0.00074615 0.00884024 -0.00072067
-14.94912092 -0.89992921 5.84817862
0.00127698 0.00011805 -0.00041563
-0.02266217 -0.01096538 -0.00938081
-16.14855024 -1.69823399 3.14621116
0.00027536 -0.00035244 0.00061236
0.00392798 0.00109512 0.02725225
-9.59655718 4.91966121 -23.08904526
-0.00007347 -0.00002400 -0.00028539
0.00554345 -0.00525602 0.00788920
-8.99818546 4.80992540 -20.15955339
-0.00002178 -0.00037562 -0.00040207
-0.00005215 -0.01896619 -0.03257668
1.97721305 1.48430708 -3.22224389
-0.00060728 -0.00027404 -0.00001764
-0.00279640 -0.01287425 0.04580670
0.76764041 0.66367586 -0.48107088
-0.00060309 -0.00088648 -0.00039604
-0.03684813 -0.01175562 0.00843986
13.78816423 9.84263736 4.01126291
0.00068392 0.00012592 -0.00094788
-0.01808536 -0.01876582 -0.00331754
11.37660773 9.47774802 2.57838145
0.00003300 0.00020849 -0.00042314
-0.01650734 0.00635984 -0.02074698
5.47344752 -9.03734058 -10.65088264
-0.00006022 -0.00026655 0.00013694
-0.00185640 0.00073954 0.00131131
-13.02772418 10.43673298 21.14883961
-0.00002666 -0.00003971 0.00014411
0.00892787 0.00095315 -0.00160768
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06819717
0.32377282
431.41105652
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1861546782
ExchangeOperator: bisection time: 1.966 s
total exchange = -52.3919989178 (a.u.)
total exchange computation time: 3.4481151104 s
-154.1878333192
-931.38907670
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1861546782
ExchangeOperator: bisection time: 1.969 s
total exchange = -52.3914344985 (a.u.)
total exchange computation time: 3.4481658936 s
-154.1934039063
Anderson extrapolation: theta=1.3635044827 (1.3635044827)
-931.38932762
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1861546782
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.3905738316 (a.u.)
total exchange computation time: 3.4479041100 s
-154.2017504955
Anderson extrapolation: theta=0.0572303540 (0.0572303540)
-931.38948143
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1861546782
ExchangeOperator: bisection time: 1.967 s
total exchange = -52.3904528586 (a.u.)
total exchange computation time: 3.4491767883 s
-154.2028635871
Anderson extrapolation: theta=2.0831894255 (2.0000000000)
-931.38948843
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1861546782
ExchangeOperator: bisection time: 1.966 s
total exchange = -52.3901922969 (a.u.)
total exchange computation time: 3.4484140873 s
-154.2051983818
Anderson extrapolation: theta=0.2735820281 (0.2735820281)
-931.38949698
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1861546782
ExchangeOperator: bisection time: 1.966 s
total exchange = -52.3901213286 (a.u.)
total exchange computation time: 3.4474849701 s
-154.2057816084
Anderson extrapolation: theta=1.5559223172 (1.5559223172)
-931.38949895
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1861546782
ExchangeOperator: bisection time: 1.969 s
total exchange = -52.3900340365 (a.u.)
total exchange computation time: 3.4485628605 s
-154.2064411859
Anderson extrapolation: theta=0.3406448262 (0.3406448262)
-931.38950111
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1861546782
ExchangeOperator: bisection time: 1.972 s
total exchange = -52.3900274692 (a.u.)
total exchange computation time: 3.4504299164 s
-154.2064289274
Anderson extrapolation: theta=1.1174557083 (1.1174557083)
-931.38950168
239.087974 32.965060 201.227095
-141.224369 489.877923 -804.002335
97.863605 522.842983 -602.775240
803.915456
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1861546782
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.3900366601 (a.u.)
total exchange computation time: 3.4494631290 s
679.24301656
-1084.17371975
89.61653537
-388.82320171
-174.86209585
78.52919796
551.60419304
0.00000000
-931.38950204
-8.78519106 -3.78705788 3.30489570
0.00023610 -0.00038627 0.00035192
-0.02552164 -0.00016070 0.05563794
-17.90692231 4.64955286 6.61762917
0.00005160 -0.00033895 -0.00015413
0.02136441 0.04252777 0.01766876
-15.68751394 -0.95750014 0.57700376
0.00000176 -0.00004949 -0.00014401
0.01228774 0.00740682 -0.00965678
3.50435703 -20.68149334 15.71946587
-0.00019878 0.00002072 -0.00017848
0.00152616 -0.00951055 0.00370110
7.39648785 15.87065320 -1.29966766
0.00022852 0.00022561 -0.00013986
0.00341079 -0.02152466 -0.01476981
-9.74303140 9.68127076 11.09358151
-0.00006054 -0.00016842 0.00022581
-0.02397121 0.02138706 -0.00531298
-8.06957820 -0.65954362 -14.11292279
-0.00015074 0.00032405 -0.00015190
-0.01351673 0.02968906 0.01918437
-10.81698600 2.15155644 -7.32366951
-0.00003403 0.00033850 0.00058570
0.02284892 0.03345141 0.00821645
-0.18719005 -5.74196381 15.08642113
-0.00002660 -0.00002255 0.00031267
-0.01177547 0.00119467 -0.02624505
-25.31944469 -0.55246622 -20.81611456
-0.00042849 -0.00008289 0.00018020
-0.00818887 -0.00857441 -0.02916468
8.88741257 7.50687834 7.85515483
-0.00009348 -0.00001868 0.00002067
0.00111674 0.00172032 -0.01048002
20.76148713 28.78669283 -4.84129783
-0.00004853 0.00015399 -0.00018153
-0.00098383 -0.02035003 -0.00596578
7.76738515 -1.61942248 -7.18575621
-0.00006249 0.00001210 -0.00006671
-0.01856930 0.03403452 0.00699559
-9.51643353 -3.57110667 13.17338940
0.00026515 0.00020783 0.00053848
0.01730275 0.00753775 -0.01705670
-1.38773419 -22.74023809 13.86095247
0.00020138 -0.00005221 0.00004921
0.00887200 0.01394883 -0.00106827
-11.09293190 -8.68671459 -8.35057766
0.00000713 -0.00001040 0.00022013
0.04170510 0.04967195 -0.04549316
-15.98371239 -8.53862017 -15.56987462
0.00019427 -0.00008564 0.00013334
-0.00719034 0.04150219 -0.00428679
16.43975884 12.56814168 3.49908456
0.00037443 0.00020741 0.00018192
0.00494358 0.00625505 -0.00748721
20.35709123 -4.61398166 -14.72119040
-0.00037091 0.00007827 0.00001223
-0.00036698 0.01375317 -0.01367480
-0.68784996 8.14853641 -14.81385905
0.00037525 0.00015774 -0.00016252
-0.00937075 -0.01104553 0.01264874
0.83374756 -0.89540872 -16.69497940
-0.00009945 0.00018776 -0.00033416
-0.03148934 0.01683926 0.01301318
11.54693286 21.10807092 -23.08006603
0.00037879 -0.00013918 -0.00016952
0.05451091 0.03748517 0.00741072
-11.27157081 15.16001606 -15.97867508
0.00013134 0.00025522 -0.00042619
-0.00614323 -0.01141565 0.01658375
4.29321064 17.48281230 11.01789218
0.00019515 0.00025063 -0.00031211
0.04644834 -0.02750442 -0.00192172
-2.05903922 -11.08905423 -3.53875349
-0.00000057 -0.00019739 -0.00019095
0.05130509 -0.00648647 0.01986928
1.19640850 -7.95627580 3.69135709
-0.00018391 -0.00039221 0.00003506
0.02750914 0.02699336 0.02407095
9.57985477 1.78036223 8.06725015
0.00014955 0.00020503 0.00023716
-0.00160549 -0.01962602 0.01363164
-6.96674061 -9.49747097 -2.93816738
0.00024917 0.00026276 -0.00018929
0.00421022 0.02526935 -0.04275081
3.94135977 -12.57561298 -12.91712424
-0.00008934 0.00022722 -0.00013089
0.00395874 -0.01634982 0.00821762
1.11453706 -4.63926948 -1.05992639
0.00011994 0.00017111 0.00014687
-0.00753237 0.01406266 -0.00273272
16.80411905 4.40638091 27.32810673
0.00036482 0.00023690 -0.00038452
0.00088581 -0.01671751 0.00248063
-9.59935556 6.24751999 -4.51435990
0.00003515 -0.00054392 0.00017062
0.01227470 -0.02076863 -0.00523919
-5.12624867 14.91093360 -9.07197151
0.00027515 0.00004942 -0.00031169
0.00532748 -0.00043712 0.00058730
3.09037425 12.18443520 -6.83088826
-0.00012997 -0.00005050 0.00002635
-0.02212879 -0.01045895 0.00606538
-4.31514876 11.75897276 -13.76715274
0.00034412 0.00018311 -0.00006252
-0.01395064 0.00829068 0.00564733
3.79100685 7.18994274 17.44052722
0.00021589 -0.00002050 -0.00012266
-0.02586559 0.01314732 0.00451748
-15.10946784 8.83883037 -9.04390803
-0.00056665 -0.00011395 -0.00025931
0.01709993 -0.01311300 0.02546658
3.73656904 9.16396263 0.33230792
-0.00005963 0.00035288 0.00049165
0.00316831 0.01864458 0.02737728
15.69054916 -23.99575885 -26.62444992
0.00030750 -0.00007568 -0.00009736
-0.00852519 0.00648623 -0.02518784
5.84452218 4.29443281 0.03594645
-0.00010805 -0.00021257 0.00028214
0.00017428 -0.02180719 -0.01639504
16.98928733 -5.33104437 0.46296093
0.00025788 0.00008943 -0.00008552
0.01378482 0.01250688 0.01264593
-4.51163463 2.56548192 -2.78014146
-0.00038303 -0.00018856 0.00041013
0.00420465 0.04450861 0.03045549
0.96932414 2.32385468 -11.91569357
-0.00018372 0.00009100 0.00041061
-0.03782187 -0.00848132 -0.03476393
15.64134073 9.03681689 -7.51348401
-0.00020324 -0.00021464 0.00006972
-0.01921984 0.01471140 0.01858416
-6.18725359 0.95801187 12.70508191
-0.00032088 -0.00005328 0.00031373
0.03359298 -0.01999932 -0.04621972
-3.43398690 -16.21967506 12.61614382
-0.00018250 0.00022969 0.00045825
0.02127427 0.05971060 -0.02065496
6.99501423 -7.04612571 -5.92664118
0.00004541 0.00013812 -0.00020031
0.02284591 0.02003502 -0.02234555
-1.17989768 -11.52529242 1.69908608
0.00016141 0.00001546 -0.00033383
-0.00463586 -0.01594949 -0.00934287
-16.41060459 -1.79306187 5.08084077
0.00024883 0.00003482 0.00020090
0.02276573 0.00826616 0.00714309
-8.97329518 3.75120265 -21.78603612
-0.00029695 -0.00045135 -0.00041680
-0.00108554 0.02953918 0.02124057
2.19132324 1.27678580 -1.30456035
0.00016247 -0.00000878 0.00006976
0.02207224 0.01408625 -0.06011353
12.35595389 8.62883619 3.83179718
0.00017560 -0.00036511 0.00011468
0.03148532 0.01651180 0.01124751
-7.30490538 -4.21402581 2.38392027
-0.00062222 0.00078504 0.00059753
0.01004052 -0.00537632 -0.02441608
-9.96784546 -2.68620031 2.48943589
-0.00126385 -0.00124372 -0.00052526
0.00711923 0.00449448 -0.02025406
-16.65471761 6.07955875 6.91225388
0.00017702 -0.00022705 0.00003649
-0.02550267 -0.02295035 0.00071667
-17.00952022 3.79160602 5.33954553
-0.00001865 -0.00036036 -0.00028899
0.00372850 -0.01778539 -0.02092811
-15.72846943 0.93172792 0.75554747
-0.00075327 0.00110706 -0.00009733
-0.01142612 -0.01932549 -0.00942505
-17.11559911 -1.63219396 -0.36318561
0.00134585 -0.00030118 0.00126593
-0.00230828 0.01626781 -0.00242887
1.88455209 -21.22783758 14.94891687
-0.00106132 0.00056002 -0.00020706
0.01340014 0.01882827 0.00351447
3.98530185 -18.90333442 15.73075310
-0.00102396 -0.00016418 -0.00010159
-0.02006370 -0.00352393 -0.00423096
8.41517452 14.28846203 -1.26171560
0.00016633 -0.00020651 -0.00043317
-0.00911581 0.00496630 0.00729309
7.72066609 16.75326775 0.19470594
-0.00073601 -0.00074358 0.00034432
0.00762967 0.01508027 0.02417171
-8.60416254 9.06368165 12.37521480
0.00026877 0.00038874 -0.00030034
0.00920880 0.00092069 0.00630337
-10.44618864 11.23531476 12.00093158
-0.00047663 0.00033914 -0.00103755
0.00838269 -0.02744679 -0.01432381
-9.77546813 0.20349573 -14.08121754
-0.00137305 0.00009088 -0.00123795
0.01811608 -0.00985907 -0.00346240
-8.25064185 -2.08906178 -15.17450581
-0.00029871 -0.00086829 -0.00015485
-0.00292563 -0.01470415 -0.01904007
-12.22015176 1.12559842 -6.86344594
-0.00077202 -0.00037911 -0.00071531
-0.00666763 -0.00943966 0.00747678
-10.46457013 3.51882389 -6.00252797
-0.00043447 0.00020536 0.00019517
-0.01002645 -0.02043717 -0.02069171
-1.91305614 -6.07415561 14.45689417
-0.00064890 0.00018666 -0.00008262
0.00791543 -0.00580695 0.00646233
-0.23460808 -5.79297369 16.87202493
-0.00016176 0.00019739 -0.00022582
-0.00308887 0.00262218 0.02576165
-24.75342289 -0.45603630 -19.14873742
-0.00092946 -0.00040067 -0.00020978
0.01679768 0.00294982 0.03307399
-25.61674908 1.12574418 -21.43320654
0.00005357 -0.00062227 0.00019118
0.00097388 0.00404547 -0.00791710
9.56109880 8.69451732 6.58826595
-0.00033395 0.00095152 0.00008914
0.00363261 -0.01730547 0.00986388
10.07589846 7.60610290 9.26432925
0.00025138 0.00011351 0.00002029
-0.00027707 0.01021244 -0.00378969
19.75814488 27.39718519 -4.10440571
-0.00002608 -0.00003585 -0.00010226
0.00550940 0.00939375 -0.00130323
20.08194440 30.45994403 -4.30702007
0.00030042 -0.00054142 -0.00025125
0.00295600 -0.00207040 0.00206099
6.41614536 -0.28126753 -6.81624793
-0.00032005 0.00000244 -0.00000219
0.02017596 -0.03691443 -0.01021372
6.91779390 -3.23560908 -7.23276457
0.00106077 0.00018327 -0.00006285
-0.00404054 -0.00437348 0.00186018
-8.54541742 -2.35107126 12.10187972
0.00041793 0.00017516 0.00005972
-0.02732147 -0.01562764 0.01844371
-11.01205767 -2.76675455 13.90665785
-0.00007196 -0.00119597 -0.00103400
0.00508216 0.00399126 -0.00737407
-1.46657046 -24.40054672 14.54602352
-0.00036261 0.00030989 0.00118361
0.00980669 -0.01979227 0.00622955
-3.10063078 -22.36604566 13.40221045
0.00035075 0.00039475 0.00030950
-0.01214310 0.00763862 0.00331623
-12.23287926 -7.77610765 -7.28228360
0.00110430 0.00050606 0.00000208
-0.03034007 -0.00099795 0.01939706
-10.35172898 -7.14254396 -9.33989505
-0.00084230 -0.00117093 0.00063287
-0.01599409 -0.04133488 0.03063368
-16.09437032 -10.27963370 -15.37015545
-0.00046007 0.00016706 -0.00121054
-0.00258528 -0.04168022 0.00339180
-14.28367525 -8.06248077 -16.12966918
0.00033263 0.00009491 -0.00022367
0.00231393 -0.00028184 0.00117460
16.73248093 12.58501965 5.30159257
0.00041309 0.00018143 -0.00006936
0.00390452 0.00071458 0.00918206
17.39779589 14.02063236 2.88145903
0.00046421 0.00043702 -0.00065516
-0.01025605 -0.00673353 0.00159372
18.68783678 -3.93264061 -15.16589140
-0.00080674 -0.00086189 0.00042029
0.01909883 -0.00729195 0.00366565
21.59973849 -3.31629450 -15.40652449
0.00050955 0.00049272 -0.00026362
-0.01881381 -0.00810218 0.00879384
-1.88433003 7.26182823 -13.73539685
0.00036501 -0.00007910 0.00051396
0.00028223 0.00502553 0.00407149
0.09476320 6.69386175 -15.56340354
0.00033446 -0.00009340 -0.00126274
0.01112328 -0.00287630 -0.01287913
1.01509758 0.40813367 -15.39949131
-0.00017154 0.00027502 -0.00051712
-0.00586135 -0.00146437 0.00264626
2.54031606 -1.08927829 -17.18950721
-0.00093826 0.00041919 -0.00046256
0.03649588 -0.00932908 -0.00781034
12.09990294 22.96796628 -22.73305567
-0.00006232 -0.00113649 0.00042549
-0.02334608 -0.04105378 -0.00263773
9.77536858 20.94679956 -23.18513906
0.00050293 0.00075220 0.00026470
-0.02681986 0.00632244 -0.00055593
-10.13990724 16.23975171 -16.98931881
0.00002274 -0.00063532 0.00005134
0.00455307 0.00020292 0.00425747
-10.71316207 14.76658064 -14.25991602
-0.00081180 0.00076582 -0.00048772
0.00379397 0.00956856 -0.02260518
2.79511020 18.32670420 11.15383297
0.00079914 0.00047780 0.00067211
-0.05551967 0.02594930 0.01315605
4.77538009 17.83493348 9.31967521
0.00063151 0.00021300 -0.00064758
0.00930167 0.00123366 -0.01528068
-3.63877733 -10.40651815 -3.24854558
-0.00042400 0.00051415 0.00155771
-0.05437650 0.01874499 -0.00016776
-1.41575253 -11.06976718 -1.75731442
-0.00093980 -0.00022036 -0.00062575
0.00193401 -0.00554726 -0.01318440
0.34941815 -6.70608275 4.79234658
-0.00026375 -0.00081898 -0.00034183
0.00148111 -0.01349201 -0.00654599
2.97843016 -7.94590710 4.32626897
0.00064209 -0.00095011 0.00049690
-0.01888108 -0.00291674 -0.00464063
8.84099229 2.06282813 9.71859088
-0.00179500 0.00009622 -0.00032022
0.00181012 -0.00394556 -0.00291613
9.48488222 3.39582280 7.30008042
0.00026531 0.00038915 -0.00007154
0.00047724 0.02512770 -0.01010126
-7.82519947 -9.02141179 -4.54564830
-0.00081493 0.00005580 0.00061399
0.01484837 -0.00325049 0.02131495
-8.33234149 -10.15065849 -2.01526233
0.00015804 0.00020840 -0.00045977
-0.02516989 -0.01564105 0.02343438
5.00757896 -13.79653472 -11.96673887
0.00008219 0.00033334 0.00030844
-0.01436257 0.01675865 -0.01312013
2.28212638 -13.33205750 -13.26244028
0.00035171 0.00051866 -0.00118489
0.00726397 0.00474136 0.00134627
1.30176220 -6.07704529 0.00222130
0.00017554 -0.00071336 0.00062205
0.00771108 -0.01840786 0.00836490
-0.13383964 -3.71444432 -0.09214228
0.00006307 0.00044294 -0.00023929
-0.00183081 0.00399737 -0.00683959
17.52938363 3.61383043 25.82676778
0.00012440 -0.00033788 -0.00035459
-0.00739089 0.00493983 0.01456578
16.23054505 3.00186725 28.40631296
0.00037621 -0.00018519 0.00108170
0.00495568 0.00995539 -0.01414990
-10.99403950 7.28422904 -4.12602126
0.00039906 0.00059966 -0.00037889
-0.02265805 0.01938717 0.01129934
-8.54954029 7.25376090 -5.65590262
-0.00029286 0.00048058 -0.00034415
0.00607190 0.00562079 0.00473490
-6.40200634 16.21604996 -9.26692169
-0.00013608 -0.00001088 0.00039534
0.00340014 -0.00600764 0.00005658
-4.74353961 14.16161278 -10.71458234
0.00010111 -0.00007116 -0.00049233
-0.00326737 0.00415972 0.00121332
2.98832891 10.40783289 -6.16020805
-0.00015730 0.00032046 0.00064530
-0.00163678 0.03086609 -0.00697184
1.48728060 13.16640187 -6.56370156
-0.00015585 0.00016471 -0.00076168
0.02356184 -0.01963001 -0.00419593
-2.76075657 10.94999031 -14.29496972
-0.00083267 0.00038971 0.00051218
-0.00255927 -0.00625004 0.00000023
-5.64901647 10.50850053 -13.55356405
0.00095226 -0.00003745 0.00016660
0.00942951 0.00056711 0.00193370
3.88012520 7.99317698 19.14093605
0.00051786 0.00017691 0.00012493
0.00516435 -0.00863682 -0.00992028
1.90086051 7.07616100 17.23838135
0.00019192 0.00062375 0.00000735
0.01409336 -0.00863679 0.00432552
-13.39545757 8.64987554 -8.38941715
0.00058399 -0.00017979 0.00040624
-0.00023706 0.00675516 -0.01821209
-15.94483951 8.11708487 -7.57478903
0.00011453 0.00038628 -0.00015835
-0.01626246 0.00384287 -0.00052345
5.33723065 10.29684606 0.43128281
0.00057297 0.00002185 -0.00124503
-0.03785327 -0.02750700 0.00450704
2.41969701 9.36504060 1.74927437
-0.00078991 -0.00009134 -0.00049142
0.03633303 0.00190217 -0.03964813
14.25839526 -24.08493258 -25.47253755
0.00032636 0.00051834 0.00022427
-0.00858798 0.00127276 -0.00385441
14.95856459 -23.49144629 -28.31528469
-0.00019052 -0.00064125 -0.00063450
0.01233081 -0.01175363 0.03513066
4.79975519 3.28573391 -1.16302827
-0.00085099 0.00007527 -0.00009072
0.00743237 0.01706169 0.02185216
4.88548270 5.84860217 0.20330472
-0.00064311 -0.00009172 -0.00013279
0.00246820 0.00722782 0.00595343
16.92154654 -3.81883262 -0.51386322
-0.00020456 0.00087569 -0.00008149
0.00890708 0.01613200 -0.00270621
16.80064560 -6.56975508 -0.79148237
-0.00015774 -0.00039707 -0.00010116
-0.01145732 -0.03096300 -0.02108354
-5.78601204 3.25414806 -1.58114387
-0.00007737 -0.00159815 -0.00088063
0.00822449 -0.00964415 -0.01869152
-5.05341731 0.91940077 -3.25369528
-0.00039665 0.00056266 -0.00050576
-0.01226517 -0.02502151 -0.01180976
2.46873299 2.87450957 -11.21972046
0.00012307 0.00016663 -0.00060458
0.03720489 0.01275868 0.01599270
-0.08792074 1.63178273 -10.61782277
0.00003332 0.00085751 -0.00110489
0.00318832 -0.00771060 0.00598814
16.67717590 7.69998904 -8.23608850
-0.00048957 -0.00042580 0.00112898
0.02664621 0.00602682 -0.00611296
16.44146619 10.69438121 -7.32325178
-0.00104879 0.00020424 0.00065801
0.00044076 -0.01996108 -0.00699020
-6.42218331 0.46201887 10.89048967
-0.00048876 -0.00047065 -0.00029980
0.00719461 0.00240363 0.01582388
-7.74230485 1.72780348 12.99782756
-0.00008545 0.00063243 0.00045482
-0.04489195 0.02024964 0.02438409
-2.19421250 -16.26892128 13.93624661
0.00015800 -0.00199344 -0.00028989
0.00842205 0.00198117 0.01819123
-4.22611587 -17.73724571 12.58516782
-0.00045581 0.00075227 0.00024187
-0.02978743 -0.06915117 -0.00184405
7.18060036 -6.42769528 -4.19400895
-0.00013827 0.00026458 -0.00073763
-0.00849497 -0.00162610 0.00126023
5.64892609 -8.25812287 -6.06782790
-0.00010716 0.00049897 -0.00114069
-0.01386663 -0.00781406 0.01007706
-2.85816964 -11.67691084 2.42120349
-0.00027680 0.00030678 -0.00023853
0.00057828 0.00103313 -0.00007428
-0.25847339 -10.37825695 2.81771896
0.00052784 0.00020173 -0.00017834
-0.00224030 0.00742969 -0.00203560
-14.93066066 -0.89849451 5.84165678
0.00117851 0.00007007 -0.00045570
-0.02554068 -0.01251897 -0.01023641
-16.14429955 -1.70348711 3.15623170
0.00029118 -0.00034771 0.00071980
0.00382003 0.00122433 0.02533903
-9.59748942 4.91914017 -23.09308436
-0.00005049 -0.00004681 -0.00025286
0.00570914 -0.00591129 0.00803463
-8.99851369 4.80370986 -20.16658263
-0.00002195 -0.00045340 -0.00053487
-0.00003336 -0.01910342 -0.03243021
1.96801816 1.47980190 -3.22110481
-0.00061645 -0.00032615 0.00016978
-0.00168996 -0.01262967 0.04593833
0.75746499 0.65001841 -0.48675279
-0.00074047 -0.00092946 -0.00036753
-0.03040241 -0.00928405 0.00551403
13.79786880 9.84395119 3.99694312
0.00060564 0.00004469 -0.00096071
-0.02023202 -0.02099987 -0.00296292
11.37659686 9.48107026 2.57139858
-0.00002839 0.00022785 -0.00049914
-0.01354056 0.00311848 -0.01645443
5.47253919 -9.04133691 -10.64882496
-0.00006092 -0.00026626 0.00013737
-0.00202901 0.00092200 0.00109414
-13.02810853 10.43613896 21.15099846
-0.00002460 -0.00003948 0.00014373
0.00882602 0.00105952 -0.00165677
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06784222
0.32165981
428.59557685
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1865440779
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.3901967540 (a.u.)
total exchange computation time: 3.3766939640 s
-154.1784702552
-931.38760455
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1865440779
ExchangeOperator: bisection time: 1.966 s
total exchange = -52.3896054295 (a.u.)
total exchange computation time: 3.3740539551 s
-154.1840862212
Anderson extrapolation: theta=1.3590840883 (1.3590840883)
-931.38785722
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1865440779
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.3886837294 (a.u.)
total exchange computation time: 3.3733539581 s
-154.1925681707
Anderson extrapolation: theta=0.0557015280 (0.0557015280)
-931.38800915
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1865440779
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.3885380714 (a.u.)
total exchange computation time: 3.3739500046 s
-154.1937644603
Anderson extrapolation: theta=2.0513665812 (2.0000000000)
-931.38801503
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1865440779
ExchangeOperator: bisection time: 1.964 s
total exchange = -52.3882167703 (a.u.)
total exchange computation time: 3.3743121624 s
-154.1963177234
Anderson extrapolation: theta=0.2567856304 (0.2567856304)
-931.38802098
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1865440779
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.3881265776 (a.u.)
total exchange computation time: 3.3735430241 s
-154.1969604065
Anderson extrapolation: theta=1.6546066716 (1.6546066716)
-931.38802194
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1865440779
ExchangeOperator: bisection time: 1.967 s
total exchange = -52.3879996871 (a.u.)
total exchange computation time: 3.3754360676 s
-154.1977859490
Anderson extrapolation: theta=0.3128923752 (0.3128923752)
-931.38802260
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1865440779
ExchangeOperator: bisection time: 1.966 s
total exchange = -52.3879837625 (a.u.)
total exchange computation time: 3.3770370483 s
-154.1978115303
Anderson extrapolation: theta=1.1739048701 (1.1739048701)
-931.38802269
239.029673 32.955198 201.190769
-141.262806 489.886711 -804.067744
97.766867 522.841909 -602.876975
803.979271
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1865440779
ExchangeOperator: bisection time: 1.967 s
total exchange = -52.3879835624 (a.u.)
total exchange computation time: 3.3745510578 s
679.21073504
-1084.10367565
89.61967629
-388.87064267
-174.85613204
78.49090472
551.60419304
0.00000000
-931.38802260
-8.78174806 -3.79285253 3.31038911
0.00021997 -0.00038470 0.00038074
-0.03719024 0.00627110 0.05644796
-17.90606591 4.64463261 6.61538543
0.00006279 -0.00031715 -0.00014516
0.02213452 0.04226457 0.01718533
-15.68744019 -0.95821386 0.57480630
0.00001060 -0.00004285 -0.00014707
0.02211175 0.01839528 -0.00220872
3.50138116 -20.68121926 15.71680299
-0.00019913 0.00001504 -0.00017712
-0.00289084 -0.01258387 0.00156078
7.39992886 15.87395432 -1.30182261
0.00023052 0.00021398 -0.00014795
0.00435640 -0.02370675 -0.01665623
-9.74403193 9.67882695 11.09694821
-0.00007337 -0.00015718 0.00022234
-0.02592917 0.02231431 -0.00818674
-8.07189147 -0.65456829 -14.11512735
-0.00015907 0.00033798 -0.00014350
-0.01887000 0.02445180 0.01349604
-10.81740837 2.15676291 -7.31485230
-0.00002346 0.00035434 0.00058964
0.01828101 0.02816001 0.00711363
-0.18763446 -5.74229747 15.09100990
-0.00003357 -0.00002210 0.00029768
-0.01534339 0.00056376 -0.03204279
-25.32590359 -0.55374270 -20.81352400
-0.00043283 -0.00008842 0.00016449
-0.00868952 -0.01293069 -0.03194967
8.88601471 7.50660483 7.85542445
-0.00009236 -0.00001723 0.00001508
0.00323261 0.00392016 -0.01123910
20.76075540 28.78892416 -4.84404378
-0.00004871 0.00014222 -0.00018473
0.00028911 -0.02542843 -0.00647378
7.76637619 -1.61910973 -7.18672990
-0.00007144 0.00003091 -0.00006310
-0.01624954 0.03911977 0.00706021
-9.51238949 -3.56796009 13.18140086
0.00027569 0.00021101 0.00052882
0.02366802 0.00479721 -0.02052957
-1.38467925 -22.74096744 13.86168651
0.00020614 -0.00004543 0.00004885
0.00961645 0.01240941 -0.00035312
-11.09266412 -8.68667896 -8.34745113
0.00002840 0.00001356 0.00019704
0.04103443 0.04348918 -0.04431296
-15.98082613 -8.53974465 -15.56789107
0.00019108 -0.00006345 0.00013101
-0.00521736 0.04479349 -0.00477638
16.44539442 12.57127694 3.50178442
0.00037726 0.00021117 0.00017724
0.00604782 0.00838197 -0.01068825
20.35152624 -4.61275449 -14.72105976
-0.00037011 0.00008579 0.00000497
0.00346669 0.01545527 -0.01452887
-0.68225736 8.15085985 -14.81624813
0.00037043 0.00015070 -0.00015609
-0.00938711 -0.01630069 0.01238769
0.83213441 -0.89252743 -16.69994161
-0.00011701 0.00019645 -0.00032707
-0.03682329 0.01696133 0.01456658
11.55282501 21.10612775 -23.08258030
0.00040663 -0.00012092 -0.00016574
0.05373288 0.03352952 0.00731018
-11.26962447 15.16380038 -15.98500392
0.00012695 0.00024869 -0.00041767
-0.01092309 -0.01400495 0.01652187
4.29631704 17.48646562 11.01320315
0.00021991 0.00023616 -0.00031402
0.04984876 -0.02875328 -0.00550024
-2.05884983 -11.09204010 -3.54154109
0.00002269 -0.00019946 -0.00018108
0.03913515 -0.00156868 0.01852636
1.19375593 -7.96205478 3.69197581
-0.00016811 -0.00037899 0.00004730
0.03394782 0.02438540 0.02352890
9.58209176 1.78336198 8.07086019
0.00014836 0.00019568 0.00024420
-0.00301968 -0.01675011 0.01373563
-6.96298678 -9.49343204 -2.94117160
0.00025105 0.00027555 -0.00021077
0.00307626 0.02447135 -0.04078147
3.94003487 -12.57226776 -12.91905584
-0.00008655 0.00021903 -0.00012649
0.00692568 -0.01549912 0.00888277
1.11630711 -4.63664853 -1.05773384
0.00011645 0.00017658 0.00014657
-0.00602890 0.00719253 0.00153967
16.80959470 4.40986987 27.32234852
0.00036477 0.00022690 -0.00038216
-0.00107087 -0.02215864 0.00668093
-9.59878100 6.23928108 -4.51182086
0.00004145 -0.00055303 0.00016729
0.01223458 -0.01464596 -0.00769095
-5.12210091 14.91167316 -9.07664465
0.00027776 0.00004925 -0.00031154
0.00481441 -0.00021225 0.00000214
3.08833932 12.18363729 -6.83046962
-0.00014121 -0.00005560 0.00002932
-0.02155650 -0.00934826 0.00547663
-4.31004080 11.76175138 -13.76806875
0.00033521 0.00018852 -0.00005896
-0.02067902 0.01274977 0.00818309
3.79414544 7.18968597 17.43870480
0.00020271 -0.00001346 -0.00011984
-0.02537202 0.01422029 0.00643172
-15.11790158 8.83707054 -9.04769948
-0.00055528 -0.00012055 -0.00024605
0.02711559 -0.01256769 0.02612112
3.73568679 9.16932774 0.33978834
-0.00005761 0.00036199 0.00050471
0.00470478 0.01678654 0.02340736
15.69512875 -23.99686909 -26.62600755
0.00030264 -0.00007224 -0.00011064
-0.01036916 0.00690733 -0.02644031
5.84290217 4.29116021 0.04011525
-0.00010883 -0.00022351 0.00027326
-0.00324000 -0.02076021 -0.01810760
16.99320864 -5.32965472 0.46172692
0.00026479 0.00009622 -0.00008038
0.01309752 0.01392332 0.00733242
-4.51736387 2.56282526 -2.77387206
-0.00037902 -0.00016613 0.00042438
0.01138532 0.04271565 0.02495846
0.96642238 2.32518698 -11.90966844
-0.00020142 0.00008783 0.00039028
-0.03099110 -0.00383440 -0.04430750
15.63821797 9.03365406 -7.51236654
-0.00021387 -0.00020651 0.00007959
-0.02211544 0.01690728 0.01979289
-6.19193722 0.95713552 12.70960955
-0.00030410 -0.00006367 0.00028924
0.03167316 -0.02041064 -0.04901743
-3.43664238 -16.21599932 12.62293786
-0.00017144 0.00026047 0.00044756
0.02175703 0.05994945 -0.02089322
6.99578357 -7.04397670 -5.92973202
0.00005722 0.00014822 -0.00021259
0.02305868 0.01924438 -0.02542425
-1.17749449 -11.52512212 1.69404257
0.00015860 0.00000750 -0.00033801
-0.00628215 -0.01498791 -0.00690016
-16.40678432 -1.79250765 5.08388188
0.00026115 0.00003937 0.00020529
0.02512308 0.00943117 0.00991441
-8.97775369 3.74454635 -21.79220611
-0.00029754 -0.00043612 -0.00040598
-0.00119916 0.02966919 0.02083203
2.19384540 1.27670849 -1.30374584
0.00017161 -0.00000236 0.00003995
0.01346156 0.01086839 -0.05580903
12.35870932 8.62342323 3.83356072
0.00019136 -0.00035524 0.00011916
0.02982059 0.02187442 0.00617068
-7.31393098 -4.20241489 2.39213504
-0.00056630 0.00075897 0.00048879
0.01733240 -0.00738519 -0.02881185
-9.98658508 -2.70471844 2.48093636
-0.00122531 -0.00123345 -0.00060130
0.01174573 0.00053498 -0.01696841
-16.65284383 6.07544969 6.91282320
0.00007224 -0.00032181 0.00003885
-0.02578764 -0.02343515 0.00043833
-17.00968573 3.78565566 5.33456940
-0.00000436 -0.00043142 -0.00037277
0.00326592 -0.01700058 -0.02008548
-15.74011862 0.94774160 0.75379873
-0.00079925 0.00101557 -0.00013671
-0.01107931 -0.02546000 -0.00985008
-17.09548207 -1.63621314 -0.34427103
0.00131622 -0.00024430 0.00124212
-0.01219645 0.01157365 -0.00922713
1.86904293 -21.21886033 14.94591871
-0.00100041 0.00063695 -0.00018952
0.01641638 0.01882851 0.00506883
3.96932765 -18.90590504 15.72909963
-0.00110298 -0.00017284 -0.00011812
-0.01861819 -0.00071506 -0.00386153
8.41739017 14.28551658 -1.26798962
0.00012699 -0.00018270 -0.00040316
-0.01014137 0.00668891 0.00739385
7.70985975 16.74257620 0.20061143
-0.00070462 -0.00068092 0.00044635
0.00773458 0.01559182 0.02577134
-8.59984880 9.06954103 12.37090291
0.00030885 0.00039169 -0.00027027
0.01040976 0.00052288 0.00841664
-10.45308125 11.23956086 11.98492942
-0.00044106 0.00022524 -0.00109427
0.00903214 -0.02831174 -0.01344193
-9.79550879 0.20455683 -14.09989292
-0.00129031 0.00004796 -0.00124994
0.02238888 -0.01114910 -0.00240428
-8.25521214 -2.10253670 -15.17741205
-0.00030794 -0.00091450 -0.00022233
-0.00159351 -0.00791818 -0.01398888
-12.23193632 1.11962255 -6.87394645
-0.00078990 -0.00041051 -0.00068688
-0.00208536 -0.00593425 0.00644107
-10.47139438 3.52127810 -6.00023452
-0.00047553 0.00012449 0.00011471
-0.01007621 -0.01915178 -0.01869125
-1.92254709 -6.07153362 14.45585286
-0.00060882 0.00016421 -0.00005346
0.01170533 -0.00518548 0.00781040
-0.23712908 -5.78993253 16.86942707
-0.00017471 0.00020762 -0.00011166
-0.00325179 0.00238828 0.03011959
-24.76685000 -0.46195591 -19.15087056
-0.00085839 -0.00038830 -0.00006619
0.01799022 0.00310584 0.03721209
-25.61591575 1.11653407 -21.43058141
0.00005588 -0.00059699 0.00015590
0.00015886 0.00833175 -0.00935390
9.55620081 8.70825978 6.58990525
-0.00032125 0.00087642 0.00013318
0.00258603 -0.01945458 0.01169419
10.07966068 7.60811846 9.26451752
0.00024818 0.00015472 0.00000260
-0.00129096 0.00996279 -0.00487195
19.75792247 27.39693528 -4.10597950
-0.00000258 0.00000443 -0.00010801
0.00599500 0.01032357 -0.00151240
20.08654130 30.45175932 -4.31072568
0.00030860 -0.00054249 -0.00024061
0.00104883 0.00154650 0.00314713
6.41196280 -0.28236207 -6.81659378
-0.00023748 -0.00014953 -0.00004407
0.02024637 -0.03747485 -0.01028758
6.93358168 -3.23299399 -7.23365027
0.00103860 0.00015685 -0.00005527
-0.00681451 -0.00856003 0.00184683
-8.53998562 -2.34892279 12.10334075
0.00030390 0.00011000 0.00013724
-0.02850052 -0.01626562 0.01949929
-11.01298141 -2.78457187 13.89092182
-0.00006144 -0.00117230 -0.00105886
0.00006814 0.00759547 -0.00479527
-1.47170904 -24.39650491 14.56396851
-0.00032274 0.00023205 0.00120799
0.00970688 -0.01830876 0.00570442
-3.09574155 -22.35989028 13.40695456
0.00029969 0.00042620 0.00032250
-0.01285539 0.00775213 0.00304971
-12.21724442 -7.76854740 -7.28165806
0.00097467 0.00050443 0.00008693
-0.03311883 0.00020045 0.02213819
-10.36485362 -7.16137452 -9.32946328
-0.00090015 -0.00132970 0.00074956
-0.01232331 -0.03638719 0.02648889
-16.10135066 -10.27840494 -15.38820958
-0.00047086 -0.00000843 -0.00119651
-0.00269627 -0.04422408 0.00347727
-14.27861484 -8.06106581 -16.13298829
0.00033843 0.00009232 -0.00021804
0.00052575 -0.00098343 0.00158178
16.73879691 12.58776306 5.30083350
0.00042999 0.00018512 -0.00002910
0.00436957 0.00109185 0.01052523
17.40444479 14.02698134 2.87168054
0.00041881 0.00040446 -0.00064517
-0.01196680 -0.00920666 0.00329293
18.67632094 -3.94579242 -15.15947476
-0.00072839 -0.00088953 0.00043412
0.01925448 -0.00623835 0.00310731
21.60680526 -3.30915204 -15.41020931
0.00042469 0.00045437 -0.00022522
-0.02272588 -0.01066729 0.01000474
-1.87884623 7.26079575 -13.72756268
0.00037209 -0.00005593 0.00052539
0.00318288 0.00631634 0.00152143
0.10012096 6.69237263 -15.58273936
0.00037392 -0.00009691 -0.00130969
0.00819398 0.00115521 -0.01010005
1.01234488 0.41221408 -15.40716705
-0.00019547 0.00026967 -0.00050546
-0.00585280 -0.00115281 0.00306463
2.52736050 -1.08327631 -17.19668492
-0.00077831 0.00037969 -0.00049823
0.04179898 -0.01000497 -0.00965107
12.09825273 22.94966098 -22.72675422
-0.00015354 -0.00129511 0.00041537
-0.02130684 -0.03659142 -0.00231353
9.78209070 20.95827625 -23.18118555
0.00039002 0.00077633 0.00026203
-0.02845053 0.00549043 -0.00075385
-10.13942655 16.23022813 -16.98841830
0.00004806 -0.00062837 0.00006305
0.00784058 0.00320134 0.00147437
-10.72522288 14.77836117 -14.26792452
-0.00079373 0.00080333 -0.00057357
0.00505356 0.00879155 -0.01941872
2.80539607 18.33466633 11.16431772
0.00056957 0.00058665 0.00072539
-0.05685794 0.02733730 0.01292770
4.78513779 17.83816633 9.30949321
0.00066534 0.00021735 -0.00070215
0.00725582 0.00089339 -0.01142911
-3.64680354 -10.39823157 -3.22518514
-0.00062778 0.00058234 0.00155071
-0.04537543 0.01463865 -0.00325779
-1.42979028 -11.07324252 -1.76710461
-0.00092469 -0.00024410 -0.00067124
0.00546178 -0.00607453 -0.00908730
0.34550730 -6.71878083 4.78701860
-0.00025988 -0.00086930 -0.00036411
0.00041184 -0.01113994 -0.00436047
2.98748294 -7.96024807 4.33358032
0.00055469 -0.00096087 0.00047497
-0.02390211 -0.00235154 -0.00609567
8.81412275 2.06415052 9.71369828
-0.00178518 0.00007942 -0.00033573
0.00299736 -0.00427997 -0.00467990
9.48887642 3.40243008 7.29869775
0.00026775 0.00048650 -0.00011012
0.00071768 0.02252319 -0.00878425
-7.83696843 -9.02067441 -4.53578522
-0.00075361 0.00004475 0.00069569
0.01516630 -0.00215846 0.01867459
-8.33074215 -10.14801173 -2.02144079
0.00005668 0.00014391 -0.00036207
-0.02444798 -0.01592785 0.02439173
5.00837176 -13.79102116 -11.96251438
0.00002157 0.00040266 0.00025339
-0.01531275 0.01717513 -0.01382388
2.28762465 -13.32413232 -13.28017238
0.00037712 0.00053517 -0.00117931
0.00517558 0.00334276 0.00138676
1.30463159 -6.08830982 0.01180831
0.00020396 -0.00077351 0.00064654
0.00619892 -0.01103419 0.00362532
-0.13294966 -3.70767778 -0.09594117
0.00005544 0.00045800 -0.00026614
-0.00190358 0.00337736 -0.00630378
17.53102314 3.60891367 25.82189535
0.00009356 -0.00031757 -0.00029382
-0.00770758 0.00499860 0.01517687
16.23634001 2.99939447 28.42210489
0.00040109 -0.00013365 0.00101407
0.00722534 0.01527111 -0.01895729
-10.98874790 7.29381800 -4.13135841
0.00030979 0.00067391 -0.00033248
-0.02104187 0.01696006 0.01142142
-8.55374719 7.26114189 -5.66091976
-0.00027084 0.00049686 -0.00031986
0.00471062 0.00234730 0.00715671
-6.40394338 16.21570266 -9.26098987
-0.00012056 -0.00003727 0.00039490
0.00419962 -0.00690768 -0.00027183
-4.74212314 14.16067279 -10.72193007
0.00008698 -0.00005263 -0.00048532
-0.00364682 0.00491461 0.00221741
2.98591924 10.41358555 -6.15074222
-0.00016409 0.00044457 0.00061683
-0.00168673 0.02988987 -0.00696204
1.48566481 13.16827093 -6.57525538
-0.00006038 0.00008497 -0.00077790
0.02317371 -0.01939947 -0.00374128
-2.77332499 10.95564450 -14.28728695
-0.00082518 0.00035670 0.00050641
0.00622486 -0.00991060 -0.00282683
-5.63444359 10.50795610 -13.55100580
0.00098681 -0.00003682 0.00017502
0.00748330 -0.00025453 0.00219023
3.88805142 7.99556603 19.14250594
0.00053830 0.00013995 0.00008123
0.00484110 -0.00945972 -0.01147112
1.90417112 7.08525261 17.23862415
0.00024908 0.00058797 0.00002481
0.01388633 -0.00887740 0.00422290
-13.38670500 8.64738570 -8.38388160
0.00056627 -0.00015052 0.00032484
-0.00843589 0.00757446 -0.02163309
-15.94361995 8.12299684 -7.57718025
0.00004402 0.00039923 -0.00015532
-0.01825087 0.00249366 0.00200377
5.34466530 10.29633093 0.41274540
0.00041645 -0.00008969 -0.00122299
-0.03876678 -0.02709443 0.00628248
2.40896165 9.36372884 1.74068807
-0.00064226 -0.00008094 -0.00064931
0.03594619 0.00318721 -0.03763932
14.26302745 -24.07711854 -25.46929159
0.00029302 0.00052332 0.00020660
-0.00773011 0.00116834 -0.00479746
14.95608458 -23.50142525 -28.32372567
-0.00013836 -0.00069002 -0.00048671
0.01320491 -0.01211695 0.03721267
4.78721802 3.28738577 -1.16371948
-0.00081695 0.00014605 0.00000137
0.00923173 0.01758798 0.02322526
4.87591165 5.84744786 0.20149536
-0.00062967 -0.00006557 -0.00010749
0.00411298 0.00556997 0.00642982
16.91875102 -3.80520297 -0.51516855
-0.00016783 0.00093010 -0.00008720
0.00907255 0.01050529 -0.00008550
16.79792839 -6.57665989 -0.79364579
-0.00020353 -0.00051527 -0.00018193
-0.01095806 -0.02689812 -0.01845663
-5.78692059 3.22988032 -1.59492615
-0.00005710 -0.00162779 -0.00094322
0.00169735 -0.00486629 -0.01194544
-5.05974288 0.92707398 -3.26164351
-0.00044720 0.00045445 -0.00055696
-0.01248099 -0.02795156 -0.01325358
2.47171914 2.87739991 -11.22829913
0.00027420 0.00021819 -0.00053858
0.03677581 0.01248036 0.01631557
-0.08732328 1.64440913 -10.63421258
0.00003336 0.00081732 -0.00106177
-0.00316643 -0.01196351 0.01511866
16.67064883 7.69378667 -8.21934112
-0.00037624 -0.00040348 0.00110229
0.02883079 0.00490160 -0.00695373
16.42574783 10.69683318 -7.31359588
-0.00104544 0.00012134 0.00062916
0.00119973 -0.02062020 -0.00713062
-6.42929429 0.45503274 10.88647749
-0.00045965 -0.00045806 -0.00022785
0.00705726 0.00376052 0.01939776
-7.74496217 1.73791040 13.00539701
-0.00026503 0.00071302 0.00055275
-0.04301750 0.01920156 0.02355388
-2.19158443 -16.29876213 13.93245575
0.00019488 -0.00198303 -0.00021410
0.00963021 0.00311318 0.01890900
-4.23386573 -17.72808073 12.58873939
-0.00058113 0.00046647 0.00023209
-0.03156150 -0.07074623 -0.00294274
7.17826600 -6.42377644 -4.20503484
-0.00017343 0.00025925 -0.00072663
-0.00871478 -0.00097994 0.00412410
5.64689378 -8.25087770 -6.08462952
-0.00016424 0.00046711 -0.00109806
-0.01407330 -0.00778349 0.01079143
-2.86230396 -11.67227751 2.41762332
-0.00026849 0.00031158 -0.00024066
0.00348874 0.00131578 -0.00097179
-0.25062450 -10.37500340 2.81498149
0.00051557 0.00022904 -0.00018943
-0.00376527 0.00594108 -0.00339428
-14.91376569 -0.89782704 5.83450758
0.00106962 0.00001663 -0.00049838
-0.02775982 -0.01364245 -0.01065613
-16.13981474 -1.70866518 3.16780517
0.00030661 -0.00034252 0.00081845
0.00373088 0.00131562 0.02295025
-9.59807177 4.91825684 -23.09663105
-0.00002702 -0.00007195 -0.00022021
0.00577649 -0.00639383 0.00794596
-8.99884398 4.79632355 -20.17559940
-0.00002204 -0.00053081 -0.00066555
-0.00000939 -0.01879407 -0.03154091
1.95871970 1.47452270 -3.21715035
-0.00062132 -0.00037695 0.00035560
-0.00069719 -0.01223868 0.04501754
0.74542631 0.63579197 -0.49209676
-0.00084952 -0.00096132 -0.00035175
-0.02297606 -0.00631094 0.00220919
13.80633343 9.84397801 3.98244175
0.00051988 -0.00004455 -0.00097183
-0.02174809 -0.02268389 -0.00248400
11.37575614 9.48458362 2.56340729
-0.00007715 0.00023354 -0.00055691
-0.01032881 -0.00033718 -0.01182347
5.47161996 -9.04532829 -10.64676141
-0.00006167 -0.00026589 0.00013772
-0.00218592 0.00110438 0.00085000
-13.02846215 10.43554863 21.15315154
-0.00002256 -0.00003922 0.00014334
0.00874779 0.00115761 -0.00171390
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06802092
0.32000167
426.38618591
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1865440779
ExchangeOperator: bisection time: 2.055 s
total exchange = -52.3873792017 (a.u.)
total exchange computation time: 3.3758959770 s
-154.1708979200
-931.38644532
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1865440779
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3868727471 (a.u.)
total exchange computation time: 3.3745088577 s
-154.1760904588
Anderson extrapolation: theta=1.3492648564 (1.3492648564)
-931.38669815
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1865440779
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.3861032909 (a.u.)
total exchange computation time: 3.3754649162 s
-154.1838189759
Anderson extrapolation: theta=0.0522748043 (0.0522748043)
-931.38684932
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1865440779
ExchangeOperator: bisection time: 2.055 s
total exchange = -52.3859943735 (a.u.)
total exchange computation time: 3.3752779961 s
-154.1848472925
Anderson extrapolation: theta=1.9606484801 (1.9606484801)
-931.38685501
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1865440779
ExchangeOperator: bisection time: 2.055 s
total exchange = -52.3857623859 (a.u.)
total exchange computation time: 3.3766169548 s
-154.1869885859
Anderson extrapolation: theta=0.2232776821 (0.2232776821)
-931.38686096
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1865440779
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3857085244 (a.u.)
total exchange computation time: 3.3769810200 s
-154.1874496407
Anderson extrapolation: theta=1.8596596824 (1.8596596824)
-931.38686202
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1865440779
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.3856301689 (a.u.)
total exchange computation time: 3.3739922047 s
-154.1880851403
Anderson extrapolation: theta=0.2763247709 (0.2763247709)
-931.38686317
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1865440779
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3856297837 (a.u.)
total exchange computation time: 3.3780260086 s
-154.1880511357
Anderson extrapolation: theta=1.3008408063 (1.3008408063)
-931.38686337
238.965395 32.926985 201.156752
-141.304799 489.889327 -804.131529
97.660596 522.816312 -602.974777
804.023053
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1865440779
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3856440264 (a.u.)
total exchange computation time: 3.3762159348 s
679.17526073
-1084.02598836
89.62302206
-388.92375709
-174.84975674
78.44783249
551.60419304
0.00000000
-931.38686343
-8.77859198 -3.79859879 3.31631800
0.00019806 -0.00037997 0.00040984
-0.04800695 0.01212586 0.05670386
-17.90503875 4.64003842 6.61327426
0.00007434 -0.00029577 -0.00013666
0.02278765 0.04085772 0.01586665
-15.68719584 -0.95878567 0.57259179
0.00002461 -0.00003069 -0.00014626
0.03237001 0.02890856 0.00532967
3.49838299 -20.68104226 15.71415216
-0.00020164 0.00000782 -0.00017682
-0.00684356 -0.01548377 -0.00038759
7.40340349 15.87707255 -1.30410605
0.00023302 0.00020150 -0.00015667
0.00537728 -0.02482982 -0.01726344
-9.74523250 9.67655530 11.10025176
-0.00008707 -0.00014565 0.00021742
-0.02736148 0.02251107 -0.01096088
-8.07435032 -0.64940432 -14.11722779
-0.00016999 0.00034905 -0.00013804
-0.02358770 0.01862786 0.00771969
-10.81768971 2.16218663 -7.30598021
-0.00001532 0.00036728 0.00059288
0.01337254 0.02216630 0.00548225
-0.18819724 -5.74262678 15.09535147
-0.00004226 -0.00002195 0.00028006
-0.01844582 0.00001995 -0.03646460
-25.33242954 -0.55511893 -20.81117992
-0.00043730 -0.00009612 0.00014774
-0.00869567 -0.01701506 -0.03316807
8.88464179 7.50636156 7.85560736
-0.00009021 -0.00001473 0.00000920
0.00513155 0.00579927 -0.01165614
20.76002590 28.79095931 -4.84683967
-0.00004817 0.00012789 -0.00018823
0.00178232 -0.03029793 -0.00713474
7.76524188 -1.61849517 -7.18764913
-0.00007912 0.00005207 -0.00005949
-0.01360413 0.04316564 0.00695856
-9.50816286 -3.56477650 13.18925394
0.00028938 0.00021269 0.00051755
0.02957765 0.00173922 -0.02328564
-1.38155012 -22.74160106 13.86241783
0.00021116 -0.00003958 0.00004890
0.00990492 0.01033220 0.00056919
-11.09207977 -8.68630782 -8.34466645
0.00004895 0.00003412 0.00017500
0.03886783 0.03646686 -0.04140964
-15.97798011 -8.54052357 -15.56594438
0.00018884 -0.00004013 0.00012850
-0.00346660 0.04586810 -0.00498845
16.45107665 12.57447688 3.50440183
0.00038060 0.00021593 0.00017105
0.00694930 0.01011592 -0.01340237
20.34598799 -4.61140808 -14.72104120
-0.00036734 0.00009401 -0.00000263
0.00728397 0.01652785 -0.01502664
-0.67673717 8.15305754 -14.81854164
0.00036565 0.00014102 -0.00014985
-0.00919338 -0.02137584 0.01187248
0.83023718 -0.88951529 -16.70479144
-0.00013695 0.00020514 -0.00031931
-0.04069905 0.01683592 0.01561669
11.55913168 21.10444324 -23.08503817
0.00043361 -0.00010501 -0.00016209
0.05120750 0.02836660 0.00686950
-11.26776240 15.16747666 -15.99120530
0.00012008 0.00024087 -0.00040936
-0.01579017 -0.01637936 0.01581939
4.29980800 17.48989712 11.00847170
0.00024571 0.00022147 -0.00031773
0.05046661 -0.02837832 -0.00895205
-2.05835853 -11.09503807 -3.54418577
0.00003938 -0.00019887 -0.00017191
0.02575134 0.00387152 0.01711405
1.19136527 -7.96764563 3.69277604
-0.00014916 -0.00036721 0.00005912
0.03972331 0.02144918 0.02244245
9.58430545 1.78623251 8.07457620
0.00014641 0.00018800 0.00025117
-0.00453599 -0.01311769 0.01337720
-6.95920923 -9.48920432 -2.94449044
0.00025214 0.00028775 -0.00023086
0.00117340 0.02294143 -0.03735660
3.93876340 -12.56904212 -12.92091891
-0.00008229 0.00021140 -0.00012181
0.00963671 -0.01415654 0.00931046
1.11803064 -4.63397210 -1.05552942
0.00011375 0.00017852 0.00014842
-0.00449052 0.00036277 0.00567554
16.81506210 4.41318788 27.31664186
0.00036376 0.00021436 -0.00037769
-0.00284164 -0.02659582 0.01070925
-9.59811206 6.23092919 -4.50934115
0.00004748 -0.00055882 0.00016280
0.01119864 -0.00789064 -0.00979173
-5.11791601 14.91241107 -9.08131778
0.00028012 0.00004918 -0.00031166
0.00438167 -0.00004982 -0.00045081
3.08613810 12.18276725 -6.83000873
-0.00015199 -0.00006005 0.00003190
-0.02037333 -0.00794935 0.00455934
-4.30509236 11.76462836 -13.76892163
0.00032285 0.00019628 -0.00005411
-0.02740463 0.01741316 0.01069673
3.79708829 7.18953890 17.43693199
0.00018987 -0.00000591 -0.00011611
-0.02457036 0.01515263 0.00809250
-15.12612612 8.83521376 -9.05128941
-0.00053902 -0.00012687 -0.00023249
0.03608998 -0.01200147 0.02658858
3.73484084 9.17482234 0.34744934
-0.00005474 0.00037001 0.00051554
0.00644339 0.01441779 0.01869564
15.69962834 -23.99792604 -26.62776916
0.00029689 -0.00006864 -0.00012431
-0.01198944 0.00709241 -0.02669918
5.84125717 4.28772745 0.04414436
-0.00011129 -0.00023377 0.00026364
-0.00632236 -0.01912217 -0.01929791
16.99723100 -5.32815766 0.46054947
0.00027130 0.00010356 -0.00007816
0.01220406 0.01459356 0.00131810
-4.52300527 2.56049813 -2.76741013
-0.00037118 -0.00014505 0.00043552
0.01910037 0.03925249 0.01835305
0.96328154 2.32648968 -11.90398513
-0.00021505 0.00008726 0.00036520
-0.02200770 0.00159535 -0.05321520
15.63492460 9.03062167 -7.51109636
-0.00022593 -0.00019745 0.00008998
-0.02479528 0.01831675 0.02063226
-6.19637650 0.95610171 12.71375902
-0.00028874 -0.00007397 0.00026359
0.02806414 -0.01963363 -0.05069708
-3.43913002 -16.21186108 12.62957071
-0.00016043 0.00029048 0.00043691
0.02103982 0.05675211 -0.02054419
6.99673080 -7.04167922 -5.93301901
0.00006901 0.00015779 -0.00022645
0.02277991 0.01800183 -0.02846457
-1.17513975 -11.52506744 1.68894583
0.00015499 0.00000005 -0.00034094
-0.00774454 -0.01396544 -0.00450734
-16.40277023 -1.79188067 5.08699948
0.00027448 0.00004442 0.00021111
0.02674111 0.01018965 0.01270505
-8.98222145 3.73811893 -21.79821540
-0.00029817 -0.00042099 -0.00039550
-0.00123456 0.02917000 0.01991349
2.19647141 1.27671504 -1.30336187
0.00017621 0.00000228 0.00001267
0.00443311 0.00717757 -0.05028962
12.36169480 8.61817903 3.83537187
0.00020609 -0.00034273 0.00012097
0.02743137 0.02675216 0.00088874
-7.32189433 -4.19125658 2.39858404
-0.00048205 0.00072523 0.00036309
0.02390699 -0.00913263 -0.03272037
-10.00460485 -2.72320378 2.47139691
-0.00116805 -0.00123883 -0.00066376
0.01628275 -0.00316730 -0.01360615
-16.65255048 6.06990438 6.91341938
-0.00003254 -0.00041731 0.00004024
-0.02550070 -0.02331352 0.00024040
-17.00965107 3.77866340 5.32836230
0.00000709 -0.00049822 -0.00045162
0.00233925 -0.01569595 -0.01851201
-15.75244681 0.96219494 0.75144631
-0.00084357 0.00090096 -0.00017755
-0.01061667 -0.03064211 -0.01014443
-17.07611250 -1.63952302 -0.32592195
0.00124510 -0.00020758 0.00119010
-0.02261607 0.00640202 -0.01623834
1.85453986 -21.20872916 14.94323120
-0.00092816 0.00071332 -0.00016610
0.01895052 0.01855559 0.00639788
3.95221242 -18.90851948 15.72720949
-0.00117597 -0.00016982 -0.00013305
-0.01711045 0.00218952 -0.00344583
8.41898428 14.28298108 -1.27381050
0.00008389 -0.00015245 -0.00037274
-0.01095801 0.00811830 0.00749969
7.69952743 16.73284022 0.20809634
-0.00067339 -0.00061773 0.00055229
0.00755132 0.01533948 0.02609070
-8.59489709 9.07543245 12.36710684
0.00035331 0.00039334 -0.00023225
0.01135371 0.00028347 0.01019347
-10.45942032 11.24207184 11.96810346
-0.00040332 0.00010897 -0.00114689
0.00944060 -0.02860312 -0.01231440
-9.81417732 0.20493465 -14.11871565
-0.00119133 0.00000048 -0.00125744
0.02605930 -0.01209676 -0.00126981
-8.25988010 -2.11649691 -15.18117562
-0.00031173 -0.00093262 -0.00026918
-0.00025884 -0.00094767 -0.00894469
-12.24384869 1.11328300 -6.88405221
-0.00078863 -0.00042732 -0.00066262
0.00270547 -0.00229259 0.00543382
-10.47883617 3.52255858 -5.99908658
-0.00051650 0.00005001 0.00004344
-0.00997776 -0.01730432 -0.01619502
-1.93132066 -6.06922942 14.45529022
-0.00055428 0.00014407 -0.00001919
0.01499079 -0.00467081 0.00896979
-0.23984937 -5.78674500 16.86867512
-0.00018825 0.00021697 0.00001787
-0.00337511 0.00218760 0.03328822
-24.77917455 -0.46768518 -19.15072311
-0.00078358 -0.00037543 0.00009091
0.01863108 0.00319078 0.03968928
-25.61507269 1.10783458 -21.42852954
0.00005500 -0.00055457 0.00011494
-0.00059122 0.01243216 -0.01069478
9.55146132 8.72080994 6.59226125
-0.00031244 0.00079329 0.00018377
0.00172638 -0.02124032 0.01307230
10.08334378 7.61074461 9.26440722
0.00024094 0.00019483 -0.00001927
-0.00225337 0.00966978 -0.00583465
19.75806748 27.39731806 -4.10764597
0.00002251 0.00004794 -0.00011435
0.00628683 0.01097538 -0.00159334
20.09120248 30.44366939 -4.31423841
0.00030898 -0.00052856 -0.00022547
-0.00086554 0.00527146 0.00426613
6.40902106 -0.28575330 -6.81757012
-0.00015577 -0.00030237 -0.00008587
0.01974805 -0.03734296 -0.01017468
6.94895183 -3.23090352 -7.23442278
0.00100563 0.00011376 -0.00004777
-0.00932410 -0.01253338 0.00182455
-8.53630051 -2.34777119 12.10599682
0.00018618 0.00004341 0.00021789
-0.02912221 -0.01633250 0.01998311
-11.01390097 -2.80192368 13.87489191
-0.00007164 -0.00113432 -0.00107346
-0.00505886 0.01099774 -0.00234752
-1.47625271 -24.39358518 14.58226310
-0.00028325 0.00016169 0.00122949
0.00962673 -0.01613132 0.00482288
-3.09164019 -22.35325980 13.41188558
0.00024655 0.00045779 0.00033469
-0.01315406 0.00771291 0.00291480
-12.20363930 -7.76097487 -7.27967575
0.00083532 0.00050653 0.00018152
-0.03509063 0.00082916 0.02416662
-10.37873351 -7.18243510 -9.31740810
-0.00094170 -0.00146548 0.00084731
-0.00801389 -0.03007717 0.02135554
-16.10849624 -10.27988651 -15.40605060
-0.00048181 -0.00018983 -0.00118263
-0.00266261 -0.04457238 0.00331329
-14.27352222 -8.05971113 -16.13621047
0.00033708 0.00008688 -0.00021079
-0.00118652 -0.00168096 0.00196794
16.74538068 12.59057339 5.30071948
0.00044866 0.00019031 0.00001593
0.00476769 0.00144668 0.01151902
17.41036029 14.03276608 2.86210386
0.00036701 0.00036262 -0.00062853
-0.01339308 -0.01127374 0.00485423
18.66598513 -3.95932655 -15.15286769
-0.00065053 -0.00091256 0.00044548
0.01885709 -0.00503573 0.00245064
21.61247924 -3.30266334 -15.41328097
0.00032495 0.00040648 -0.00018236
-0.02609619 -0.01277724 0.01097205
-1.87316735 7.26015036 -13.71963528
0.00039063 -0.00002787 0.00052664
0.00589493 0.00741985 -0.00090928
0.10598089 6.69095431 -15.60269418
0.00040134 -0.00008394 -0.00134499
0.00522525 0.00519688 -0.00718038
1.00923348 0.41622385 -15.41465497
-0.00021926 0.00026566 -0.00049205
-0.00579028 -0.00081052 0.00349853
2.51696665 -1.07788750 -17.20445411
-0.00059977 0.00033790 -0.00054041
0.04560067 -0.01045256 -0.01099560
12.09529670 22.92911312 -22.72059456
-0.00023556 -0.00143322 0.00040709
-0.01884074 -0.03101431 -0.00174153
9.78706920 20.97008943 -23.17727825
0.00027313 0.00079717 0.00025870
-0.02876910 0.00471089 -0.00087414
-10.13846534 16.22090075 -16.98742744
0.00008677 -0.00060923 0.00006328
0.01110891 0.00616495 -0.00135869
-10.73697398 14.79068049 -14.27712312
-0.00077028 0.00083736 -0.00064502
0.00642320 0.00786807 -0.01555691
2.81219733 18.34430385 11.17559475
0.00034050 0.00069785 0.00077696
-0.05527281 0.02709550 0.01231536
4.79534018 17.84145393 9.29861076
0.00069047 0.00022031 -0.00074046
0.00504980 0.00055615 -0.00732652
-3.65761064 -10.38904783 -3.20202435
-0.00079233 0.00063253 0.00153027
-0.03517610 0.00992842 -0.00674769
-1.44349330 -11.07709014 -1.77745173
-0.00089520 -0.00026991 -0.00069909
0.00897448 -0.00656260 -0.00454511
0.34162169 -6.73216164 4.78142337
-0.00026080 -0.00090942 -0.00037696
-0.00085881 -0.00850042 -0.00193325
2.99507085 -7.97473316 4.34051810
0.00044851 -0.00096922 0.00044767
-0.02807513 -0.00173727 -0.00726925
8.78743690 2.06521061 9.70851886
-0.00177042 0.00006132 -0.00035840
0.00422954 -0.00457856 -0.00641507
9.49291460 3.41041772 7.29677673
0.00027121 0.00057166 -0.00014246
0.00097923 0.01916233 -0.00704652
-7.84780790 -9.02006931 -4.52477765
-0.00069183 0.00003851 0.00076535
0.01507699 -0.00089730 0.01542408
-8.33064113 -10.14634113 -2.02612438
-0.00003934 0.00007940 -0.00026216
-0.02255225 -0.01565173 0.02451494
5.00822610 -13.78445500 -11.95913711
-0.00004225 0.00047270 0.00019603
-0.01592600 0.01711289 -0.01425708
2.29344010 -13.31600228 -13.29781949
0.00039378 0.00054588 -0.00117370
0.00297910 0.00189628 0.00135713
1.30788090 -6.10025058 0.02161751
0.00022616 -0.00080357 0.00065184
0.00466827 -0.00368283 -0.00102982
-0.13217634 -3.70070426 -0.10012639
0.00004747 0.00047050 -0.00029069
-0.00200144 0.00273896 -0.00571529
17.53219029 3.60430325 25.81795305
0.00006185 -0.00029738 -0.00023146
-0.00781322 0.00488815 0.01535007
16.24257779 2.99785760 28.43673501
0.00043445 -0.00006208 0.00092803
0.00910341 0.01976575 -0.02315987
-10.98474588 7.30444638 -4.13599557
0.00022895 0.00073682 -0.00028604
-0.01852921 0.01383311 0.01130947
-8.55766539 7.26866674 -5.66549829
-0.00025417 0.00049991 -0.00028589
0.00344782 -0.00085731 0.00946717
-6.40562304 16.21493200 -9.25507472
-0.00010205 -0.00006703 0.00039308
0.00485832 -0.00765992 -0.00061934
-4.74093017 14.16003400 -10.72914189
0.00007140 -0.00003116 -0.00047443
-0.00398108 0.00559386 0.00311349
2.98340619 10.42117004 -6.14170307
-0.00017124 0.00056334 0.00058898
-0.00181388 0.02824973 -0.00667327
1.48546924 13.16895107 -6.58703849
0.00003225 0.00000699 -0.00079205
0.02216629 -0.01877515 -0.00318515
-2.78551191 10.96069130 -14.27977743
-0.00078142 0.00030852 0.00048901
0.01519562 -0.01367166 -0.00569104
-5.61941208 10.50739607 -13.54831333
0.00101304 -0.00003978 0.00018458
0.00535502 -0.00119784 0.00248804
3.89627434 7.99737534 19.14337281
0.00055745 0.00009992 0.00003176
0.00452951 -0.01013173 -0.01274021
1.90833277 7.09380016 17.23912576
0.00030472 0.00055123 0.00004177
0.01334980 -0.00910705 0.00407944
-13.37846943 8.64536006 -8.37967185
0.00051700 -0.00011823 0.00023047
-0.01568178 0.00822793 -0.02456164
-15.94351890 8.12906163 -7.57944867
-0.00003384 0.00040684 -0.00014236
-0.01986470 0.00123520 0.00434142
5.34972408 10.29415528 0.39459302
0.00025744 -0.00019861 -0.00119372
-0.03906764 -0.02622262 0.00804805
2.40042929 9.36261242 1.72979500
-0.00049788 -0.00006513 -0.00079740
0.03472687 0.00455043 -0.03485061
14.26718588 -24.06923290 -25.46633965
0.00026345 0.00052785 0.00018500
-0.00674507 0.00104565 -0.00577388
14.95441385 -23.51214681 -28.32988603
-0.00008334 -0.00073969 -0.00033238
0.01372887 -0.01219755 0.03833518
4.77524663 3.29011554 -1.16298731
-0.00077641 0.00021808 0.00009793
0.01061322 0.01766761 0.02404196
4.86659267 5.84663492 0.20008007
-0.00060934 -0.00004643 -0.00008027
0.00583782 0.00379947 0.00689412
16.91651152 -3.79092950 -0.51647912
-0.00013033 0.00096138 -0.00008229
0.00928557 0.00480220 0.00248745
16.79453960 -6.58521319 -0.79694035
-0.00024704 -0.00061513 -0.00025041
-0.01034057 -0.02198373 -0.01506587
-5.78772511 3.20531435 -1.60944053
-0.00006551 -0.00163716 -0.00097663
-0.00581514 0.00028031 -0.00440741
-5.06683335 0.93303414 -3.27040399
-0.00049772 0.00033686 -0.00061342
-0.01224694 -0.02960962 -0.01438722
2.47695913 2.88105513 -11.23587788
0.00041980 0.00026721 -0.00047287
0.03449402 0.01151582 0.01584802
-0.08691987 1.65630233 -10.64967583
0.00000682 0.00075952 -0.00098095
-0.00982850 -0.01633034 0.02444146
16.66588868 7.68788471 -8.20301990
-0.00025473 -0.00038532 0.00107260
0.03065098 0.00398750 -0.00757898
16.41010301 10.69802142 -7.30437699
-0.00103869 0.00003682 0.00059996
0.00210174 -0.02075371 -0.00716483
-6.43597277 0.44827707 10.88365413
-0.00043135 -0.00044022 -0.00014268
0.00679322 0.00497251 0.02229258
-7.75025587 1.74919410 13.01440999
-0.00043327 0.00078722 0.00064647
-0.03933400 0.01712129 0.02232563
-2.18836616 -16.32841219 13.92982374
0.00023531 -0.00196813 -0.00013675
0.01016298 0.00417942 0.01895018
-4.24354988 -17.72325151 12.59213061
-0.00070992 0.00018137 0.00021813
-0.03147903 -0.06881481 -0.00389181
7.17539754 -6.41991765 -4.21580797
-0.00020938 0.00025667 -0.00070397
-0.00888482 -0.00028735 0.00696894
5.64399897 -8.24410955 -6.10076976
-0.00022120 0.00043617 -0.00105256
-0.01381067 -0.00736043 0.01148002
-2.86622447 -11.66756354 2.41398359
-0.00024865 0.00031745 -0.00024635
0.00622337 0.00156031 -0.00181338
-0.24300637 -10.37138575 2.81203600
0.00049709 0.00025021 -0.00020608
-0.00527830 0.00441977 -0.00475588
-14.89857202 -0.89799567 5.82670531
0.00095307 -0.00004052 -0.00054190
-0.02929127 -0.01433119 -0.01064763
-16.13510128 -1.71376263 3.18078517
0.00032172 -0.00033704 0.00090636
0.00366367 0.00136572 0.02008066
-9.59830010 4.91698166 -23.09969076
-0.00000349 -0.00009868 -0.00018843
0.00574100 -0.00668865 0.00761321
-8.99917483 4.78778542 -20.18654918
-0.00002201 -0.00060604 -0.00079106
0.00002241 -0.01802920 -0.02989805
1.94937851 1.46849345 -3.21043693
-0.00062241 -0.00042585 0.00053547
0.00016397 -0.01169649 0.04303244
0.73197953 0.62117876 -0.49730534
-0.00092713 -0.00098038 -0.00034970
-0.01501693 -0.00301894 -0.00120436
13.81346521 9.84261462 3.96778814
0.00042922 -0.00013955 -0.00098079
-0.02263288 -0.02381897 -0.00189888
11.37428241 9.48807632 2.55469138
-0.00011263 0.00022497 -0.00059551
-0.00704158 -0.00385669 -0.00707076
5.47068901 -9.04931374 -10.64469329
-0.00006248 -0.00026547 0.00013798
-0.00231180 0.00128648 0.00058925
-13.02878531 10.43496233 21.15529866
-0.00002053 -0.00003894 0.00014293
0.00870622 0.00123358 -0.00178699
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06802198
0.31884145
424.84024899
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.3848167125 (a.u.)
total exchange computation time: 3.2994329929 s
-154.1614515379
-931.38562371
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3843469047 (a.u.)
total exchange computation time: 3.2960598469 s
-154.1663537790
Anderson extrapolation: theta=1.3474219385 (1.3474219385)
-931.38587693
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3836228619 (a.u.)
total exchange computation time: 3.3009531498 s
-154.1736872655
Anderson extrapolation: theta=0.0514796380 (0.0514796380)
-931.38602787
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3835127215 (a.u.)
total exchange computation time: 3.2959721088 s
-154.1746961513
Anderson extrapolation: theta=1.9388543149 (1.9388543149)
-931.38603336
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3832784130 (a.u.)
total exchange computation time: 3.2941579819 s
-154.1767866091
Anderson extrapolation: theta=0.2227222424 (0.2227222424)
-931.38603889
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.3832227384 (a.u.)
total exchange computation time: 3.2955269814 s
-154.1772423520
Anderson extrapolation: theta=1.8951037466 (1.8951037466)
-931.38603985
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3831397813 (a.u.)
total exchange computation time: 3.2960770130 s
-154.1778823160
Anderson extrapolation: theta=0.2852760319 (0.2852760319)
-931.38604086
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.062 s
total exchange = -52.3831387094 (a.u.)
total exchange computation time: 3.2942578793 s
-154.1778499848
Anderson extrapolation: theta=1.3153370016 (1.3153370016)
-931.38604104
238.897064 32.880169 201.127093
-141.349998 489.885953 -804.193133
97.547067 522.766122 -603.066040
804.045085
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3831537519 (a.u.)
total exchange computation time: 3.2952871323 s
679.13744717
-1083.94368691
89.62660496
-388.98008561
-174.84316693
78.40225579
551.60419304
0.00000000
-931.38604107
-8.77580626 -3.80425151 3.32268434
0.00017097 -0.00037243 0.00043889
-0.05733558 0.01716904 0.05625713
-17.90383579 4.63575944 6.61128549
0.00008618 -0.00027539 -0.00012904
0.02327585 0.03840087 0.01380173
-15.68670178 -0.95913446 0.57041841
0.00004389 -0.00001330 -0.00014165
0.04260105 0.03870218 0.01261547
3.49533203 -20.68098471 15.71149833
-0.00020605 -0.00000082 -0.00017747
-0.01032119 -0.01810589 -0.00213273
7.40691959 15.87999923 -1.30652268
0.00023606 0.00018871 -0.00016537
0.00642600 -0.02490483 -0.01656490
-9.74664416 9.67445731 11.10347075
-0.00010136 -0.00013423 0.00021110
-0.02819499 0.02193208 -0.01358763
-8.07699114 -0.64409665 -14.11926868
-0.00018317 0.00035708 -0.00013552
-0.02766060 0.01256134 0.00208272
-10.81786788 2.16778135 -7.29706583
-0.00000973 0.00037700 0.00059513
0.00836852 0.01563846 0.00327427
-0.18890232 -5.74295594 15.09941172
-0.00005242 -0.00002205 0.00026058
-0.02104055 -0.00042978 -0.03928735
-25.33902257 -0.55662644 -20.80909172
-0.00044164 -0.00010581 0.00013080
-0.00819799 -0.02066731 -0.03273112
8.88330846 7.50616304 7.85570035
-0.00008715 -0.00001135 0.00000318
0.00676666 0.00732688 -0.01173777
20.75931015 28.79276073 -4.84969060
-0.00004683 0.00011114 -0.00019210
0.00343043 -0.03482676 -0.00793230
7.76400262 -1.61754761 -7.18851467
-0.00008538 0.00007503 -0.00005598
-0.01072541 0.04611016 0.00668866
-9.50370804 -3.56157949 13.19692738
0.00030594 0.00021274 0.00050507
0.03481064 -0.00152353 -0.02523401
-1.37834458 -22.74215497 13.86315353
0.00021620 -0.00003491 0.00004947
0.00971350 0.00784989 0.00165875
-11.09119556 -8.68565535 -8.34220123
0.00006798 0.00005085 0.00015493
0.03511107 0.02857474 -0.03660794
-15.97516084 -8.54094864 -15.56403616
0.00018743 -0.00001684 0.00012594
-0.00203652 0.04469558 -0.00497298
16.45681249 12.57775485 3.50691585
0.00038435 0.00022147 0.00016360
0.00763880 0.01143013 -0.01555806
20.34050593 -4.60993417 -14.72113857
-0.00036266 0.00010266 -0.00001039
0.01094737 0.01709003 -0.01516033
-0.67128790 8.15509032 -14.82074356
0.00036102 0.00012881 -0.00014393
-0.00879833 -0.02607922 0.01115123
0.82802598 -0.88637327 -16.70952080
-0.00015843 0.00021370 -0.00031116
-0.04283893 0.01646340 0.01606680
11.56583341 21.10297757 -23.08744305
0.00045886 -0.00009206 -0.00015877
0.04696431 0.02197820 0.00604165
-11.26602214 15.17102658 -15.99728464
0.00011072 0.00023191 -0.00040158
-0.02060826 -0.01845787 0.01444381
4.30368831 17.49310969 11.00367118
0.00027113 0.00020738 -0.00032313
0.04837687 -0.02642252 -0.01202467
-2.05766857 -11.09800618 -3.54669841
0.00004909 -0.00019543 -0.00016349
0.01201929 0.00949295 0.01561253
1.18928105 -7.97307102 3.69374941
-0.00012744 -0.00035698 0.00007028
0.04476159 0.01833806 0.02094145
9.58648416 1.78900185 8.07839541
0.00014368 0.00018233 0.00025785
-0.00611060 -0.00892435 0.01259982
-6.95542262 -9.48479962 -2.94809746
0.00025208 0.00029898 -0.00024886
-0.00138932 0.02075237 -0.03261533
3.93756627 -12.56592569 -12.92271016
-0.00007674 0.00020459 -0.00011700
0.01195055 -0.01233624 0.00941418
1.11971953 -4.63129286 -1.05328121
0.00011183 0.00017703 0.00015232
-0.00296435 -0.00615141 0.00949882
16.82050758 4.41630072 27.31101782
0.00036190 0.00019980 -0.00037121
-0.00441994 -0.03002456 0.01450604
-9.59735672 6.22251643 -4.50693698
0.00005275 -0.00056103 0.00015731
0.00932852 -0.00070455 -0.01153248
-5.11369731 14.91314860 -9.08599438
0.00028229 0.00004918 -0.00031197
0.00405278 0.00004264 -0.00075068
3.08377969 12.18183589 -6.82951266
-0.00016200 -0.00006370 0.00003392
-0.01855708 -0.00626635 0.00331927
-4.30035535 11.76763967 -13.76969199
0.00030712 0.00020643 -0.00004800
-0.03377493 0.02207300 0.01306235
3.79984159 7.18950873 17.43522161
0.00017752 0.00000207 -0.00011159
-0.02344990 0.01587630 0.00947044
-15.13407224 8.83326439 -9.05467421
-0.00051850 -0.00013288 -0.00021876
0.04371631 -0.01136344 0.02681523
3.73404460 9.18042818 0.35525457
-0.00005092 0.00037670 0.00052377
0.00841966 0.01157482 0.01330918
15.70403544 -23.99892827 -26.62973674
0.00029037 -0.00006500 -0.00013786
-0.01335208 0.00706145 -0.02601830
5.83956339 4.28414717 0.04802459
-0.00011524 -0.00024305 0.00025354
-0.00903138 -0.01698911 -0.01997998
17.00134750 -5.32654802 0.45938220
0.00027730 0.00011106 -0.00007912
0.01114963 0.01457597 -0.00504572
-4.52849932 2.55847382 -2.76080660
-0.00035928 -0.00012615 0.00044301
0.02716275 0.03422113 0.01078418
0.95997091 2.32780470 -11.89871236
-0.00022365 0.00008960 0.00033578
-0.01145598 0.00750160 -0.06119333
15.63143994 9.02773058 -7.50966702
-0.00023930 -0.00018789 0.00010071
-0.02719194 0.01885453 0.02108145
-6.20059928 0.95491643 12.71751739
-0.00027558 -0.00008359 0.00023735
0.02310109 -0.01778061 -0.05134231
-3.44145534 -16.20728502 12.63604507
-0.00015008 0.00031801 0.00042657
0.01920869 0.05031050 -0.01965994
6.99785377 -7.03924287 -5.93652559
0.00008054 0.00016664 -0.00024184
0.02205079 0.01641083 -0.03138503
-1.17284477 -11.52512050 1.68381432
0.00015069 -0.00000686 -0.00034268
-0.00899186 -0.01292166 -0.00223559
-16.39854985 -1.79117508 5.09021509
0.00028846 0.00004975 0.00021837
0.02761940 0.01054841 0.01552478
-8.98669874 3.73191656 -21.80407106
-0.00029879 -0.00040628 -0.00038563
-0.00119137 0.02804336 0.01847829
2.19913163 1.27677695 -1.30336587
0.00017617 0.00000495 -0.00001153
-0.00456855 0.00319440 -0.04380965
12.36489190 8.61314122 3.83718987
0.00021944 -0.00032788 0.00012007
0.02449083 0.03102465 -0.00438631
-7.32839252 -4.18065797 2.40302774
-0.00037338 0.00068508 0.00022303
0.02928728 -0.01052036 -0.03583767
-10.02162672 -2.74188324 2.46102358
-0.00109283 -0.00125853 -0.00071254
0.02054190 -0.00647762 -0.01027121
-16.65381997 6.06293027 6.91403029
-0.00013498 -0.00051107 0.00004100
-0.02464449 -0.02258289 0.00013335
-17.00947306 3.77070919 5.32102068
0.00001394 -0.00055874 -0.00052273
0.00101423 -0.01393197 -0.01629311
-15.76542566 0.97477034 0.74847219
-0.00088579 0.00076710 -0.00021933
-0.01004922 -0.03487984 -0.01030703
-17.05812899 -1.64244054 -0.30856806
0.00113133 -0.00019248 0.00110967
-0.03307556 0.00099159 -0.02313187
1.84119820 -21.19746079 14.94093578
-0.00084663 0.00078802 -0.00013774
0.02095871 0.01801147 0.00748329
3.93404855 -18.91099973 15.72510818
-0.00124268 -0.00015497 -0.00014620
-0.01554356 0.00508242 -0.00299430
8.41990683 14.28094311 -1.27917176
0.00003791 -0.00011702 -0.00034188
-0.01155096 0.00922473 0.00760702
7.68965790 16.72404434 0.21718024
-0.00064343 -0.00055706 0.00065686
0.00711551 0.01435698 0.02509732
-8.58924955 9.08134124 12.36393550
0.00040096 0.00039439 -0.00018779
0.01197440 0.00022944 0.01156917
-10.46518081 11.24282985 11.95052279
-0.00036444 -0.00000724 -0.00119441
0.00959061 -0.02828211 -0.01094869
-9.83124878 0.20457110 -14.13761620
-0.00107856 -0.00005024 -0.00126021
0.02914206 -0.01273007 -0.00008711
-8.26456392 -2.13051519 -15.18548737
-0.00031013 -0.00092251 -0.00029586
0.00103850 0.00589710 -0.00411778
-12.25559525 1.10680295 -6.89382496
-0.00076782 -0.00042927 -0.00064228
0.00748339 0.00133692 0.00451974
-10.48688945 3.52277854 -5.99893118
-0.00055678 -0.00001578 -0.00001665
-0.00973825 -0.01490481 -0.01322064
-1.93917550 -6.06721148 14.45527731
-0.00048746 0.00012582 0.00001940
0.01772051 -0.00426469 0.00991866
-0.24277650 -5.78342341 16.86996328
-0.00020218 0.00022557 0.00015750
-0.00344635 0.00202123 0.03505822
-24.79035728 -0.47321890 -19.14814326
-0.00070735 -0.00036234 0.00025437
0.01868090 0.00321661 0.04032795
-25.61426586 1.09989701 -21.42713311
0.00005125 -0.00049615 0.00006883
-0.00124478 0.01616583 -0.01187966
9.54682762 8.73205836 6.59541840
-0.00030676 0.00070367 0.00023904
0.00105519 -0.02262679 0.01398161
10.08688878 7.61396338 9.26393933
0.00022991 0.00023365 -0.00004480
-0.00314326 0.00933407 -0.00666051
19.75859779 27.39837347 -4.10941009
0.00004837 0.00009350 -0.00012075
0.00637265 0.01132551 -0.00153627
20.09581062 30.43590252 -4.31748969
0.00030163 -0.00049943 -0.00020577
-0.00273260 0.00898759 0.00537764
6.40728960 -0.29143314 -6.81917002
-0.00007738 -0.00045318 -0.00012684
0.01862795 -0.03647867 -0.00987616
6.96375054 -3.22958117 -7.23508348
0.00096318 0.00005534 -0.00004037
-0.01145350 -0.01606649 0.00180061
-8.53440019 -2.34762054 12.10987757
0.00006708 -0.00002230 0.00029933
-0.02917621 -0.01583143 0.01988024
-11.01513057 -2.81860149 13.85871813
-0.00010252 -0.00108311 -0.00107854
-0.01005749 0.01406997 -0.00014135
-1.48020640 -24.39165408 14.60085326
-0.00024403 0.00010139 0.00124674
0.00956926 -0.01338964 0.00361857
-3.08834499 -22.34615662 13.41699523
0.00019307 0.00048889 0.00034660
-0.01302673 0.00751075 0.00291474
-12.19218476 -7.75335152 -7.27621237
0.00068973 0.00050986 0.00028273
-0.03617951 0.00080151 0.02537471
-10.39310454 -7.20533900 -9.30404413
-0.00096425 -0.00157237 0.00092188
-0.00302582 -0.02224433 0.01515079
-16.11580500 -10.28409975 -15.42368856
-0.00049225 -0.00036811 -0.00116978
-0.00244760 -0.04269656 0.00297701
-14.26850231 -8.05845947 -16.13931203
0.00032899 0.00007863 -0.00020204
-0.00277441 -0.00235652 0.00231822
16.75225664 12.59347238 5.30131142
0.00046879 0.00019689 0.00006422
0.00508832 0.00177621 0.01211908
17.41545499 14.03785989 2.85282467
0.00031000 0.00031324 -0.00060584
-0.01451047 -0.01289805 0.00625005
18.65680500 -3.97316930 -15.14611042
-0.00057533 -0.00093046 0.00045394
0.01795662 -0.00372493 0.00169202
21.61655389 -3.29695771 -15.41568020
0.00021248 0.00035083 -0.00013601
-0.02896131 -0.01446198 0.01171585
-1.86712720 7.25995972 -13.71176360
0.00041974 0.00000425 0.00051834
0.00835347 0.00830166 -0.00315362
0.11216106 6.68985449 -15.62308905
0.00041675 -0.00005476 -0.00136828
0.00231799 0.00908757 -0.00421887
1.00576722 0.42018393 -15.42192847
-0.00024267 0.00026309 -0.00047686
-0.00567086 -0.00044779 0.00393578
2.50936748 -1.07313929 -17.21289718
-0.00040937 0.00029482 -0.00058684
0.04759939 -0.01063724 -0.01173116
12.09118600 22.90666452 -22.71454163
-0.00030661 -0.00154612 0.00040175
-0.01594103 -0.02425163 -0.00087172
9.79028455 20.98219132 -23.17342452
0.00015762 0.00081488 0.00025501
-0.02777338 0.00395853 -0.00093152
-10.13682330 16.21195119 -16.98651985
0.00013856 -0.00057828 0.00005205
0.01424061 0.00898797 -0.00413836
-10.74833142 14.80348203 -14.28727514
-0.00074109 0.00086738 -0.00069946
0.00786968 0.00682356 -0.01109190
2.81561114 18.35560196 11.18762654
0.00012366 0.00080477 0.00082515
-0.05087155 0.02524234 0.01127502
4.80585204 17.84477561 9.28727930
0.00070644 0.00022195 -0.00076187
0.00276503 0.00024909 -0.00315307
-3.67057355 -10.37925562 -3.17927711
-0.00091434 0.00066294 0.00149508
-0.02454752 0.00495738 -0.01047684
-1.45664632 -11.08133996 -1.78807741
-0.00085154 -0.00029763 -0.00070771
0.01239904 -0.00700592 0.00032646
0.33768344 -6.74606340 4.77570967
-0.00026712 -0.00093844 -0.00037961
-0.00223762 -0.00570321 0.00063605
3.00093814 -7.98932471 4.34701037
0.00032702 -0.00097500 0.00041614
-0.03139195 -0.00109080 -0.00816431
8.76101026 2.06599010 9.70294628
-0.00175060 0.00004209 -0.00038797
0.00546992 -0.00483419 -0.00806203
9.49701280 3.41957975 7.29442386
0.00027576 0.00064191 -0.00016703
0.00124539 0.01522853 -0.00497964
-7.85772336 -9.01951921 -4.51282479
-0.00063125 0.00003772 0.00082061
0.01457883 0.00051241 0.01162915
-8.33192225 -10.14562976 -2.02930555
-0.00012542 0.00001709 -0.00016333
-0.01958848 -0.01484959 0.02386200
5.00710440 -13.77684005 -11.95663359
-0.00010765 0.00054146 0.00013767
-0.01608988 0.01654603 -0.01430735
2.29943814 -13.30775602 -13.31538343
0.00040137 0.00055064 -0.00116832
0.00073429 0.00043372 0.00127566
1.31141630 -6.11241705 0.03136359
0.00024216 -0.00080421 0.00063867
0.00316434 0.00337098 -0.00541669
-0.13152568 -3.69356288 -0.10466188
0.00003905 0.00048036 -0.00031277
-0.00211659 0.00209122 -0.00509148
17.53287859 3.59999241 25.81495149
0.00003013 -0.00027798 -0.00016927
-0.00771344 0.00460640 0.01509405
16.24937349 2.99753210 28.44994574
0.00047468 0.00002615 0.00082616
0.01058884 0.02342287 -0.02670769
-10.98187944 7.31592253 -4.13993963
0.00015980 0.00078578 -0.00024042
-0.01532057 0.01013577 0.01102149
-8.56137228 7.27613905 -5.66949660
-0.00024237 0.00049013 -0.00024285
0.00232774 -0.00392945 0.01160316
-6.40700496 16.21369190 -9.24919752
-0.00008117 -0.00009952 0.00038980
0.00536152 -0.00824836 -0.00098341
-4.73998119 14.15973804 -10.73616291
0.00005456 -0.00000710 -0.00046015
-0.00426367 0.00618501 0.00387384
2.98078198 10.43048586 -6.13307289
-0.00017899 0.00067405 0.00056286
-0.00197997 0.02594175 -0.00610907
1.48663217 13.16848055 -6.59901680
0.00011951 -0.00006766 -0.00080375
0.02055073 -0.01776523 -0.00254527
-2.79676756 10.96490022 -14.27261669
-0.00070146 0.00024518 0.00046010
0.02394490 -0.01733578 -0.00845914
-5.60405239 10.50676263 -13.54546837
0.00103029 -0.00004679 0.00019543
0.00309065 -0.00223360 0.00282134
3.90477486 7.99856372 19.14345889
0.00057535 0.00005749 -0.00002223
0.00423340 -0.01063990 -0.01369095
1.91331257 7.10178957 17.23987738
0.00035746 0.00051360 0.00005806
0.01247104 -0.00931614 0.00389201
-13.37119495 8.64383869 -8.37696740
0.00044031 -0.00008363 0.00012520
-0.02185768 0.00871251 -0.02697172
-15.94463529 8.13520213 -7.58145103
-0.00011774 0.00040957 -0.00012031
-0.02120154 0.00009796 0.00645200
5.35238856 10.29037254 0.37693388
0.00009844 -0.00030306 -0.00115730
-0.03876519 -0.02490620 0.00977811
2.39402520 9.36177488 1.71676607
-0.00036024 -0.00004361 -0.00093252
0.03265137 0.00598607 -0.03128969
14.27093094 -24.06128318 -25.46374157
0.00023808 0.00053183 0.00015942
-0.00567356 0.00090289 -0.00674821
14.95358451 -23.52361591 -28.33369697
-0.00002689 -0.00078916 -0.00017538
0.01390347 -0.01201865 0.03851579
4.76392569 3.29392809 -1.16078170
-0.00073108 0.00028955 0.00019671
0.01157910 0.01731923 0.02431452
4.85763147 5.84605483 0.19908728
-0.00058189 -0.00003461 -0.00005117
0.00759734 0.00198780 0.00734926
16.91484110 -3.77636171 -0.51763725
-0.00009189 0.00096963 -0.00006720
0.00953318 -0.00076367 0.00490056
16.79051708 -6.59511379 -0.80115823
-0.00028784 -0.00069370 -0.00030396
-0.00962954 -0.01647463 -0.01114555
-5.78888601 3.18076556 -1.62422503
-0.00010632 -0.00162506 -0.00097802
-0.01415984 0.00564033 0.00372494
-5.07467439 0.93717964 -3.28004621
-0.00054632 0.00021523 -0.00067373
-0.01154401 -0.02992833 -0.01513360
2.48431314 2.88541611 -11.24248536
0.00055264 0.00031102 -0.00041043
0.03053411 0.00993323 0.01471742
-0.08711882 1.66719470 -10.66364116
-0.00004676 0.00068414 -0.00086262
-0.01639651 -0.02056908 0.03348520
16.66300702 7.68222712 -8.18716318
-0.00012664 -0.00037028 0.00104085
0.03204688 0.00337401 -0.00796176
16.39458699 10.69793774 -7.29559720
-0.00102799 -0.00004715 0.00057084
0.00313650 -0.02035157 -0.00708956
-6.44223492 0.44182615 10.88219699
-0.00040436 -0.00041775 -0.00004707
0.00641862 0.00602861 0.02450933
-7.75796020 1.76152711 13.02479122
-0.00058340 0.00085108 0.00073448
-0.03415644 0.01413579 0.02075593
-2.18452504 -16.35780611 13.92835312
0.00027648 -0.00194892 -0.00006066
0.00998774 0.00522287 0.01829771
-4.25516326 -17.72263968 12.59528332
-0.00083467 -0.00008909 0.00020066
-0.02958905 -0.06357779 -0.00466263
7.17198456 -6.41607647 -4.22615400
-0.00024595 0.00025693 -0.00066992
-0.00901462 0.00041838 0.00969880
5.64025776 -8.23779249 -6.11620644
-0.00027619 0.00040769 -0.00100430
-0.01310609 -0.00658173 0.01214618
-2.86976357 -11.66275394 2.41023272
-0.00021816 0.00032423 -0.00025531
0.00870414 0.00175983 -0.00257163
-0.23571173 -10.36749723 2.80879903
0.00047254 0.00026517 -0.00022822
-0.00673860 0.00290703 -0.00608118
-14.88517349 -0.89904260 5.81825049
0.00083170 -0.00009960 -0.00058454
-0.03012026 -0.01458782 -0.01022444
-16.13016329 -1.71877638 3.19499584
0.00033660 -0.00033145 0.00098157
0.00362115 0.00137163 0.01673608
-9.59817659 4.91529656 -23.10228388
0.00001968 -0.00012621 -0.00015850
0.00560135 -0.00679039 0.00703889
-8.99950431 4.77814234 -20.19933131
-0.00002183 -0.00067719 -0.00090829
0.00006537 -0.01679961 -0.02748711
1.94004737 1.46174735 -3.20108622
-0.00062028 -0.00047224 0.00070505
0.00087804 -0.01101511 0.03997985
0.71761241 0.60638053 -0.50258773
-0.00097199 -0.00098571 -0.00036133
-0.00694342 0.00040890 -0.00448954
13.81920990 9.83979146 3.95301816
0.00033621 -0.00023808 -0.00098717
-0.02289334 -0.02441224 -0.00122705
11.37237712 9.49133265 2.54554213
-0.00013483 0.00020216 -0.00061482
-0.00382519 -0.00730579 -0.00238414
5.46974563 -9.05329228 -10.64262201
-0.00006332 -0.00026497 0.00013814
-0.00240554 0.00147185 0.00030656
-13.02907817 10.43438032 21.15743955
-0.00001851 -0.00003865 0.00014251
0.00869958 0.00129449 -0.00187264
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06792310
0.31811797
423.87624192
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.060 s
total exchange = -52.3823740875 (a.u.)
total exchange computation time: 3.2992348671 s
-154.1528217068
-931.38520942
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3819518596 (a.u.)
total exchange computation time: 3.2950260639 s
-154.1573218527
Anderson extrapolation: theta=1.3460258772 (1.3460258772)
-931.38546225
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3812862502 (a.u.)
total exchange computation time: 3.2976081371 s
-154.1641062468
Anderson extrapolation: theta=0.0509796856 (0.0509796856)
-931.38561297
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.060 s
total exchange = -52.3811728600 (a.u.)
total exchange computation time: 3.2950158119 s
-154.1650910554
Anderson extrapolation: theta=1.9225324316 (1.9225324316)
-931.38561845
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3809272491 (a.u.)
total exchange computation time: 3.2953860760 s
-154.1671441797
Anderson extrapolation: theta=0.2189897070 (0.2189897070)
-931.38562402
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.054 s
total exchange = -52.3808635136 (a.u.)
total exchange computation time: 3.2953979969 s
-154.1676121459
Anderson extrapolation: theta=1.8877718127 (1.8877718127)
-931.38562500
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.055 s
total exchange = -52.3807606374 (a.u.)
total exchange computation time: 3.2953128815 s
-154.1683009031
Anderson extrapolation: theta=0.2814471583 (0.2814471583)
-931.38562611
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3807501134 (a.u.)
total exchange computation time: 3.2946338654 s
-154.1683046295
Anderson extrapolation: theta=1.3126423711 (1.3126423711)
-931.38562634
238.824325 -11.560531 201.103645
-141.397973 489.876971 -804.252089
97.426352 478.316439 -603.148444
775.929479
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3807503028 (a.u.)
total exchange computation time: 3.2939000130 s
679.09901430
-1083.86133546
89.63059978
-389.03658061
-174.83657415
78.35689776
551.60419304
0.00000000
-931.38562644
-8.77346286 -3.80977177 3.32948468
0.00013962 -0.00036255 0.00046746
-0.06457712 0.02124314 0.05485819
-17.90245327 4.63177670 6.60940321
0.00009821 -0.00025653 -0.00012263
0.02349499 0.03494668 0.01109321
-15.68587906 -0.95918467 0.56834235
0.00006826 0.00000886 -0.00013346
0.05215601 0.04745537 0.01924311
3.49220144 -20.68106684 15.70882805
-0.00021211 -0.00001070 -0.00017896
-0.01325341 -0.02033310 -0.00365402
7.41048528 15.88273377 -1.30906710
0.00023963 0.00017614 -0.00017338
0.00743945 -0.02398184 -0.01460573
-9.74827333 9.67252852 11.10658491
-0.00011590 -0.00012331 0.00020350
-0.02834360 0.02051712 -0.01600096
-8.07984536 -0.63869206 -14.12129350
-0.00019827 0.00036198 -0.00013583
-0.03107635 0.00651647 -0.00325682
-10.81798149 2.17349672 -7.28812619
-0.00000668 0.00038327 0.00059609
0.00346394 0.00872356 0.00045543
-0.18976973 -5.74328841 15.10316889
-0.00006377 -0.00002237 0.00024010
-0.02309351 -0.00078005 -0.04036248
-25.34567884 -0.55829338 -20.80725603
-0.00044561 -0.00011723 0.00011450
-0.00723231 -0.02371217 -0.03064388
8.88202733 7.50602103 7.85570279
-0.00008332 -0.00000729 -0.00000279
0.00812529 0.00847432 -0.01150028
20.75862087 28.79429346 -4.85260273
-0.00004462 0.00009219 -0.00019641
0.00519704 -0.03884414 -0.00881441
7.76268061 -1.61624432 -7.18932860
-0.00009010 0.00009915 -0.00005266
-0.00765018 0.04768416 0.00623332
-9.49898468 -3.55839423 13.20440614
0.00032494 0.00021109 0.00049183
0.03906605 -0.00489071 -0.02625503
-1.37506410 -22.74264832 13.86390204
0.00022102 -0.00003158 0.00005064
0.00903616 0.00509988 0.00287069
-11.09004048 -8.68478244 -8.34001843
0.00008464 0.00006326 0.00013786
0.02969969 0.01970509 -0.02977407
-15.97235728 -8.54102889 -15.56216632
0.00018665 0.00000529 0.00012342
-0.00098219 0.04138645 -0.00480314
16.46260726 12.58112100 3.50930984
0.00038840 0.00022757 0.00015520
0.00810542 0.01229578 -0.01709444
20.33510833 -4.60832841 -14.72135290
-0.00035608 0.00011142 -0.00001815
0.01463278 0.01700928 -0.01502946
-0.66590651 8.15692191 -14.82285946
0.00035664 0.00011433 -0.00013843
-0.00823881 -0.03024944 0.01024485
0.82548428 -0.88310424 -16.71412621
-0.00018052 0.00022201 -0.00030295
-0.04304624 0.01582524 0.01583787
11.57289745 21.10168146 -23.08980132
0.00048150 -0.00008272 -0.00015598
0.04107333 0.01433960 0.00479615
-11.26444087 15.17443410 -16.00325255
0.00009894 0.00022199 -0.00039468
-0.02520045 -0.02014631 0.01237552
4.30794182 17.49611842 10.99877790
0.00029486 0.00019464 -0.00032996
0.04391771 -0.02309271 -0.01453540
-2.05688588 -11.10090105 -3.54909061
0.00005182 -0.00018914 -0.00015588
-0.00138585 0.01499534 0.01399691
1.18754216 -7.97835493 3.69488434
-0.00010330 -0.00034839 0.00008054
0.04908392 0.01503577 0.01897241
9.58861572 1.79170234 8.08231182
0.00014013 0.00017891 0.00026404
-0.00769236 -0.00435945 0.01145117
-6.95164673 -9.48023482 -2.95195611
0.00025058 0.00030894 -0.00026411
-0.00444814 0.01797453 -0.02671807
3.93646134 -12.56290443 -12.92442877
-0.00007011 0.00019883 -0.00011221
0.01379642 -0.01007093 0.00919027
1.12138555 -4.62866108 -1.05095972
0.00011068 0.00017233 0.00015808
-0.00149030 -0.01215038 0.01288944
16.82591895 4.41918192 27.30550568
0.00035926 0.00018374 -0.00036284
-0.00581068 -0.03244015 0.01802373
-9.59652941 6.21409823 -4.50462178
0.00005690 -0.00055949 0.00015102
0.00680604 0.00670410 -0.01292069
-5.10944734 14.91388646 -9.09067678
0.00028432 0.00004921 -0.00031239
0.00383365 0.00006260 -0.00087629
3.08127813 12.18085618 -6.82899098
-0.00017092 -0.00006642 0.00003523
-0.01613904 -0.00430804 0.00175667
-4.29587890 11.77082128 -13.77036157
0.00028831 0.00021891 -0.00004075
-0.03936026 0.02644880 0.01513436
3.80241398 7.18960104 17.43358430
0.00016584 0.00001037 -0.00010645
-0.02198053 0.01640048 0.01051113
-15.14168110 8.83122735 -9.05785215
-0.00049442 -0.00013856 -0.00020496
0.04993292 -0.01074112 0.02685333
3.73331332 9.18612331 0.36316247
-0.00004601 0.00038180 0.00052906
0.01064842 0.00825592 0.00726348
15.70833953 -23.99987602 -26.63190505
0.00028324 -0.00006143 -0.00015084
-0.01440573 0.00683235 -0.02443033
5.83779993 4.28043582 0.05175068
-0.00012048 -0.00025113 0.00024322
-0.01132700 -0.01442538 -0.02016210
17.00555003 -5.32482593 0.45817599
0.00028273 0.00011839 -0.00008336
0.00997539 0.01394847 -0.01144740
-4.53378382 2.55671352 -2.75411987
-0.00034322 -0.00011020 0.00044643
0.03529053 0.02783417 0.00251077
0.95657190 2.32917759 -11.89391168
-0.00022663 0.00009499 0.00030261
-0.00011134 0.01347760 -0.06781767
15.62774551 9.02498495 -7.50807504
-0.00025381 -0.00017830 0.00011156
-0.02922971 0.01845589 0.02111790
-6.20464384 0.95359397 12.72087966
-0.00026523 -0.00009202 0.00021104
0.01715666 -0.01500918 -0.05099721
-3.44363247 -16.20232084 12.64236775
-0.00014090 0.00034151 0.00041682
0.01648958 0.04109189 -0.01826490
6.99914685 -7.03667991 -5.94027430
0.00009158 0.00017460 -0.00025867
0.02090407 0.01454817 -0.03406078
-1.17061915 -11.52527325 1.67866556
0.00014580 -0.00001324 -0.00034329
-0.00999294 -0.01187847 -0.00014752
-16.39411639 -1.79038811 5.09355047
0.00030270 0.00005517 0.00022708
0.02773585 0.01050733 0.01836922
-8.99118522 3.72593053 -21.80978416
-0.00029937 -0.00039232 -0.00037663
-0.00107004 0.02625899 0.01648286
2.20175659 1.27686351 -1.30370785
0.00017161 0.00000554 -0.00003219
-0.01318165 -0.00091084 -0.03651536
12.36827795 8.60834274 3.83897404
0.00023116 -0.00031101 0.00011650
0.02110753 0.03456769 -0.00949031
-7.33309580 -4.17070412 2.40527508
-0.00024606 0.00064014 0.00007245
0.03303864 -0.01147811 -0.03787562
-10.03738965 -2.76095968 2.45002077
-0.00100107 -0.00129078 -0.00074791
0.02437491 -0.00930937 -0.00704447
-16.65659982 6.05457214 6.91464937
-0.00023275 -0.00060060 0.00004152
-0.02321579 -0.02123958 0.00012321
-17.00923288 3.76190115 5.31268051
0.00001474 -0.00061128 -0.00058368
-0.00062154 -0.01178669 -0.01354271
-15.77902039 0.98520808 0.74486638
-0.00092549 0.00061782 -0.00026151
-0.00938798 -0.03819814 -0.01033871
-17.04217255 -1.64529729 -0.29263182
0.00097605 -0.00019929 0.00100217
-0.04293405 -0.00432887 -0.02949222
1.82914102 -21.18508856 14.93909899
-0.00075798 0.00085996 -0.00010546
0.02243319 0.01720190 0.00831748
3.91493207 -18.91316850 15.72282336
-0.00130295 -0.00012857 -0.00015744
-0.01396232 0.00784046 -0.00250648
8.42012146 14.27947049 -1.28406681
-0.00001002 -0.00007778 -0.00031058
-0.01190970 0.00998423 0.00771124
7.68022446 16.71612834 0.22780227
-0.00061567 -0.00050175 0.00075480
0.00647532 0.01272092 0.02284274
-8.58286815 9.08726410 12.36147318
0.00045038 0.00039563 -0.00013863
0.01221476 0.00037739 0.01249661
-10.47035353 11.24185456 11.93227113
-0.00032553 -0.00012081 -0.00123587
0.00945847 -0.02730832 -0.00934604
-9.84653424 0.20342737 -14.15652209
-0.00095438 -0.00010295 -0.00125811
0.03164732 -0.01307279 0.00111871
-8.26918410 -2.14417206 -15.19005148
-0.00030339 -0.00088518 -0.00030358
0.00226112 0.01237285 0.00033763
-12.26688318 1.10040483 -6.90332071
-0.00072788 -0.00041669 -0.00062541
0.01206476 0.00482422 0.00374210
-10.49553956 3.52208504 -5.99958602
-0.00059581 -0.00007068 -0.00006365
-0.00936586 -0.01196491 -0.00978678
-1.94594432 -6.06545491 14.45587227
-0.00041067 0.00010901 0.00006140
0.01986574 -0.00396491 0.01064202
-0.24591485 -5.77997794 16.87340002
-0.00021628 0.00023355 0.00030122
-0.00345553 0.00188465 0.03529719
-24.80039512 -0.47855548 -19.14309186
-0.00063213 -0.00034924 0.00041657
0.01814293 0.00319817 0.03906888
-25.61353531 1.09295019 -21.42646474
0.00004508 -0.00042361 0.00001833
-0.00177370 0.01934320 -0.01283939
9.54225860 8.74192007 6.59943243
-0.00030343 0.00060927 0.00029704
0.00057415 -0.02358225 0.01441127
10.09024114 7.61775420 9.26306325
0.00021545 0.00027102 -0.00007336
-0.00393679 0.00895674 -0.00732051
19.75951865 27.40012299 -4.11126837
0.00007415 0.00013984 -0.00012661
0.00624767 0.01135805 -0.00133534
20.10025129 30.42868647 -4.32041139
0.00028688 -0.00045541 -0.00018164
-0.00448843 0.01255839 0.00643424
6.40669978 -0.29934862 -6.82137520
-0.00000478 -0.00059899 -0.00016620
0.01691057 -0.03489536 -0.00939468
6.97784731 -3.22924347 -7.23563382
0.00091299 -0.00001621 -0.00003305
-0.01311477 -0.01895542 0.00178055
-8.53428797 -2.34844013 12.11497671
-0.00005106 -0.00008480 0.00037912
-0.02865548 -0.01476301 0.01917907
-11.01697656 -2.83441701 13.84253568
-0.00015301 -0.00102028 -0.00107531
-0.01465918 0.01668589 0.00172073
-1.48357362 -24.39054357 14.61966520
-0.00020500 0.00005314 0.00125850
0.00953586 -0.01022935 0.00213815
-3.08584814 -22.33859314 13.42228351
0.00014097 0.00051882 0.00035878
-0.01247403 0.00714277 0.00304947
-12.18294752 -7.74567905 -7.27119386
0.00054155 0.00051166 0.00038706
-0.03635339 0.00007852 0.02569443
-10.40766101 -7.22960617 -9.28975162
-0.00096501 -0.00164390 0.00096881
0.00265574 -0.01277206 0.00782108
-16.12326377 -10.29092970 -15.44114408
-0.00050140 -0.00053445 -0.00115848
-0.00203033 -0.03873080 0.00255370
-14.26365243 -8.05735222 -16.14227152
0.00031474 0.00006770 -0.00019195
-0.00420140 -0.00299493 0.00261957
16.75944445 12.59648022 5.30264609
0.00049006 0.00020476 0.00011409
0.00532264 0.00207382 0.01229078
17.41966038 14.04216323 2.84392853
0.00024911 0.00025817 -0.00057785
-0.01529718 -0.01405612 0.00745418
18.64872537 -3.98724034 -15.13924946
-0.00050489 -0.00094276 0.00045917
0.01652183 -0.00229582 0.00086522
21.61885361 -3.29213840 -15.41736142
0.00008948 0.00028923 -0.00008711
-0.03124581 -0.01569251 0.01222158
-1.86057509 7.26027785 -13.70408519
0.00045827 0.00003946 0.00050136
0.01050557 0.00893470 -0.00515821
0.11848329 6.68931160 -15.64374248
0.00042056 -0.00001026 -0.00137956
-0.00045042 0.01269475 -0.00130344
1.00195342 0.42411658 -15.42896077
-0.00026547 0.00026203 -0.00045990
-0.00548925 -0.00007365 0.00436835
2.50468550 -1.06904299 -17.22205921
-0.00021484 0.00025155 -0.00063487
0.04762363 -0.01054338 -0.01178278
12.08609833 22.88272963 -22.70854212
-0.00036495 -0.00162887 0.00040067
-0.01261341 -0.01625609 0.00034274
9.79179777 20.99453581 -23.16962787
0.00004870 0.00082951 0.00025118
-0.02554230 0.00320489 -0.00094496
-10.13430851 16.20355247 -16.98586588
0.00020259 -0.00053632 0.00002981
0.01710085 0.01155195 -0.00674706
-10.75920656 14.81670175 -14.29810695
-0.00070590 0.00089293 -0.00073463
0.00935390 0.00568814 -0.00612149
2.81590722 18.36844707 11.20034934
-0.00007038 0.00090122 0.00086815
-0.04411284 0.02196829 0.00977124
4.81653336 17.84811257 9.27575460
0.00071304 0.00022245 -0.00076643
0.00046484 -0.00000874 0.00092339
-3.68504089 -10.36915960 -3.15717195
-0.00099332 0.00067310 0.00144451
-0.01411503 0.00001663 -0.01427727
-1.46903944 -11.08601914 -1.79868307
-0.00079421 -0.00032707 -0.00069605
0.01566246 -0.00740207 0.00537992
0.33360807 -6.76031469 4.77003494
-0.00027942 -0.00095564 -0.00037147
-0.00378207 -0.00271963 0.00335177
3.00488154 -8.00398312 4.35300227
0.00019373 -0.00097807 0.00038155
-0.03385639 -0.00041453 -0.00876601
8.73491885 2.06647332 9.69687962
-0.00172578 0.00002192 -0.00042399
0.00668163 -0.00503969 -0.00956739
9.50118732 3.42967507 7.29176580
0.00028137 0.00069532 -0.00018268
0.00150131 0.01091395 -0.00268207
-7.86674534 -9.01893770 -4.50015923
-0.00057352 0.00004294 0.00085942
0.01367763 0.00204496 0.00736535
-8.33440387 -10.14582847 -2.03102430
-0.00019756 -0.00004100 -0.00006857
-0.01572383 -0.01358608 0.02252529
5.00499661 -13.76821107 -11.95500692
-0.00017284 0.00060691 0.00007988
-0.01582274 0.01548922 -0.01398382
2.30548118 -13.29948319 -13.33286919
0.00039984 0.00054947 -0.00116336
-0.00148165 -0.00100379 0.00115490
1.31514563 -6.12437693 0.04077770
0.00025214 -0.00077707 0.00060842
0.00172141 0.00991669 -0.00939411
-0.13100474 -3.68629334 -0.10950941
0.00003015 0.00048758 -0.00033225
-0.00223955 0.00143857 -0.00444497
17.53309417 3.59596388 25.81287499
-0.00000078 -0.00026008 -0.00010897
-0.00741685 0.00415414 0.01442197
16.25681813 2.99864210 28.46151966
0.00052019 0.00012763 0.00071118
0.01168977 0.02625164 -0.02957140
-10.97995194 7.32801987 -4.14320822
0.00010473 0.00081879 -0.00019623
-0.01163734 0.00602158 0.01061206
-8.56493652 7.28337054 -5.67278381
-0.00023480 0.00046817 -0.00019154
0.00138005 -0.00681820 0.01351337
-6.40805828 16.21194629 -9.24338058
-0.00005859 -0.00013407 0.00038502
0.00569433 -0.00866162 -0.00135721
-4.73929352 14.15982113 -10.74294651
0.00003667 0.00001917 -0.00044308
-0.00449185 0.00667146 0.00448197
2.97803643 10.44139154 -6.12481712
-0.00018751 0.00077399 0.00053965
-0.00218790 0.02298003 -0.00525679
1.48905456 13.16692126 -6.61115110
0.00019896 -0.00013740 -0.00081272
0.01833896 -0.01637468 -0.00184137
-2.80655571 10.96804669 -14.26597438
-0.00058719 0.00016756 0.00042040
0.03199286 -0.02066124 -0.01097725
-5.58850328 10.50599229 -13.54245051
0.00103812 -0.00005815 0.00020769
0.00074243 -0.00332752 0.00318292
3.91353482 7.99910001 19.14270589
0.00059209 0.00001333 -0.00007942
0.00396201 -0.01097539 -0.01430369
1.91905668 7.10920803 17.24086752
0.00040592 0.00047516 0.00007349
0.01124836 -0.00949770 0.00366153
-13.36526003 8.64285127 -8.37591593
0.00034060 -0.00004738 0.00001113
-0.02695333 0.00902892 -0.02886342
-15.94705104 8.14134862 -7.58305796
-0.00020640 0.00040800 -0.00009030
-0.02219729 -0.00086236 0.00824020
5.35267726 10.28506340 0.35987399
-0.00005807 -0.00040123 -0.00111395
-0.03784877 -0.02314801 0.01144306
2.38962220 9.36130420 1.70181951
-0.00023289 -0.00001608 -0.00105152
0.02968375 0.00748812 -0.02696287
14.27432828 -24.05327812 -25.46155706
0.00021718 0.00053518 0.00012993
-0.00455499 0.00073862 -0.00768580
14.95360727 -23.53582159 -28.33514742
0.00002955 -0.00083741 -0.00001956
0.01372416 -0.01159921 0.03775985
4.75331438 3.29880207 -1.15708595
-0.00068264 0.00035876 0.00029552
0.01212846 0.01656053 0.02405092
4.84913588 5.84559657 0.19854491
-0.00054728 -0.00003014 -0.00002024
0.00934553 0.00020213 0.00779352
16.91375493 -3.76184073 -0.51849504
-0.00005239 0.00095577 -0.00004275
0.00980137 -0.00601682 0.00706588
16.78590441 -6.60602405 -0.80605919
-0.00032559 -0.00074906 -0.00034089
-0.00884944 -0.01062810 -0.00693172
-5.79091472 3.15656244 -1.63878123
-0.00018233 -0.00159107 -0.00094563
-0.02304643 0.01100125 0.01213316
-5.08322292 0.93949094 -3.29061591
-0.00059111 0.00009501 -0.00073618
-0.01037980 -0.02891900 -0.01543785
2.49353846 2.89038586 -11.24819087
0.00066647 0.00034734 -0.00035363
0.02518357 0.00784110 0.01308846
-0.08832265 1.67682647 -10.67555430
-0.00012595 0.00059230 -0.00070905
-0.02236914 -0.02438717 0.04168594
16.66208938 7.67677632 -8.17179439
0.00000619 -0.00035701 0.00100805
0.03297553 0.00312129 -0.00809464
16.37926319 10.69660679 -7.28725190
-0.00101282 -0.00012839 0.00054225
0.00428934 -0.01941537 -0.00690254
-6.44810369 0.43574470 10.88224194
-0.00037911 -0.00039129 0.00005621
0.00594525 0.00692210 0.02605058
-7.76775785 1.77472644 13.03644450
-0.00071013 0.00090126 0.00081552
-0.02787923 0.01042810 0.01891140
-2.18007182 -16.38687993 13.92800390
0.00031549 -0.00192540 0.00001142
0.00910853 0.00629046 0.01698590
-4.26859004 -17.72592430 12.59815027
-0.00094847 -0.00033249 0.00018042
-0.02611764 -0.05556617 -0.00524188
7.16801911 -6.41220966 -4.23590563
-0.00028298 0.00026003 -0.00062517
-0.00911363 0.00109689 0.01220912
5.63571332 -8.23187880 -6.13089873
-0.00032748 0.00038302 -0.00095336
-0.01200026 -0.00549475 0.01278750
-2.87276922 -11.65783650 2.40632425
-0.00017817 0.00033173 -0.00026715
0.01086868 0.00190980 -0.00322545
-0.22883007 -10.36343055 2.80518937
0.00044222 0.00027407 -0.00025562
-0.00810614 0.00144880 -0.00733127
-14.87362092 -0.90098356 5.80916906
0.00070842 -0.00015884 -0.00062463
-0.03022861 -0.01441140 -0.00939904
-16.12500337 -1.72370607 3.21023221
0.00035136 -0.00032593 0.00104217
0.00360414 0.00133056 0.01292701
-9.59770979 4.91319530 -23.10444562
0.00004206 -0.00015376 -0.00013140
0.00535700 -0.00669546 0.00622675
-8.99982979 4.76746969 -20.21379801
-0.00002145 -0.00074235 -0.00101407
0.00012209 -0.01509429 -0.02429195
1.93077004 1.45432619 -3.18928530
-0.00061558 -0.00051558 0.00085993
0.00142545 -0.01020084 0.03583437
0.70281975 0.59160736 -0.50814527
-0.00098435 -0.00097709 -0.00038575
0.00089626 0.00381320 -0.00746430
13.82355155 9.83547216 3.93817297
0.00024341 -0.00033794 -0.00099068
-0.02253132 -0.02446717 -0.00048790
11.37023741 9.49414124 2.53624676
-0.00014427 0.00016564 -0.00061543
-0.00079424 -0.01057499 0.00208535
5.46878935 -9.05726292 -10.64054908
-0.00006419 -0.00026441 0.00013820
-0.00246829 0.00165371 0.00000315
-13.02934073 10.43380282 21.15957393
-0.00001649 -0.00003834 0.00014206
0.00872324 0.00133925 -0.00197162
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06792678
0.31769966
423.31886961
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1852460790
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3799647794 (a.u.)
total exchange computation time: 3.2051780224 s
-154.1458163240
-931.38496375
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1852460790
ExchangeOperator: bisection time: 2.053 s
total exchange = -52.3796005421 (a.u.)
total exchange computation time: 3.2053959370 s
-154.1499029344
Anderson extrapolation: theta=1.3437163207 (1.3437163207)
-931.38521553
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1852460790
ExchangeOperator: bisection time: 2.055 s
total exchange = -52.3790148058 (a.u.)
total exchange computation time: 3.2062680721 s
-154.1561127430
Anderson extrapolation: theta=0.0502601669 (0.0502601669)
-931.38536531
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1852460790
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3789065930 (a.u.)
total exchange computation time: 3.2065269947 s
-154.1570577010
Anderson extrapolation: theta=1.8953183725 (1.8953183725)
-931.38537064
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1852460790
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3786737541 (a.u.)
total exchange computation time: 3.2033519745 s
-154.1590121833
Anderson extrapolation: theta=0.2132881618 (0.2132881618)
-931.38537589
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1852460790
ExchangeOperator: bisection time: 2.061 s
total exchange = -52.3786136775 (a.u.)
total exchange computation time: 3.2054729462 s
-154.1594547754
Anderson extrapolation: theta=1.8880876300 (1.8880876300)
-931.38537679
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1852460790
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3785168435 (a.u.)
total exchange computation time: 3.2052350044 s
-154.1601074075
Anderson extrapolation: theta=0.2803356030 (0.2803356030)
-931.38537781
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1852460790
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.3785073662 (a.u.)
total exchange computation time: 3.2048411369 s
-154.1601104047
Anderson extrapolation: theta=1.3220891703 (1.3220891703)
-931.38537802
238.748823 -11.639875 201.087061
-141.448240 489.862952 -804.308041
97.300583 478.223077 -603.220979
775.912537
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1852460790
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3785083859 (a.u.)
total exchange computation time: 3.2053799629 s
679.06219691
-1083.78392251
89.63486946
-389.08964107
-174.83037253
78.31464033
551.60419304
0.00000000
-931.38537813
-8.77161766 -3.81512815 3.33670824
0.00010519 -0.00035085 0.00049503
-0.06930875 0.02427897 0.05234723
-17.90088948 4.62806357 6.60760650
0.00011026 -0.00023968 -0.00011776
0.02334569 0.03058930 0.00786993
-15.68465397 -0.95886878 0.56641474
0.00009718 0.00003515 -0.00012214
0.06030781 0.05478925 0.02475806
3.48896860 -20.68130584 15.70612958
-0.00021953 -0.00002160 -0.00018117
-0.01559758 -0.02204302 -0.00493512
7.41410835 15.88528331 -1.31172420
0.00024369 0.00016427 -0.00018010
0.00835885 -0.02216922 -0.01152295
-9.75012117 9.67075801 11.10957563
-0.00013033 -0.00011334 0.00019471
-0.02775385 0.01823507 -0.01817161
-8.08293931 -0.63323721 -14.12334345
-0.00021496 0.00036384 -0.00013877
-0.03381982 0.00070215 -0.00817453
-10.81806838 2.17927939 -7.27918303
-0.00000609 0.00038591 0.00059545
-0.00116750 0.00156705 -0.00297120
-0.19081529 -5.74362690 15.10661467
-0.00007603 -0.00002283 0.00021952
-0.02460046 -0.00102785 -0.03964156
-25.35239091 -0.56014325 -20.80565675
-0.00044898 -0.00013001 0.00009966
-0.00587298 -0.02599746 -0.02705936
8.88080888 7.50594440 7.85561651
-0.00007887 -0.00000274 -0.00000857
0.00918767 0.00921967 -0.01096003
20.75797168 28.79552653 -4.85558286
-0.00004147 0.00007135 -0.00020118
0.00701908 -0.04219229 -0.00973858
7.76129958 -1.61457317 -7.19009446
-0.00009321 0.00012368 -0.00004962
-0.00442869 0.04770130 0.00557964
-9.49395993 -3.55524671 13.21168236
0.00034580 0.00020771 0.00047833
0.04205164 -0.00826055 -0.02625828
-1.37171391 -22.74310232 13.86467268
0.00022537 -0.00002969 0.00005245
0.00787942 0.00224393 0.00415727
-11.08865628 -8.68375751 -8.33806533
0.00009812 0.00007086 0.00012483
0.02270307 0.00983393 -0.02091823
-15.96956130 -8.54078985 -15.56033352
0.00018631 0.00002525 0.00012102
-0.00032626 0.03623087 -0.00455145
16.46846457 12.58458201 3.51157195
0.00039263 0.00023400 0.00014619
0.00834150 0.01270418 -0.01797291
20.32982361 -4.60659143 -14.72168317
-0.00034761 0.00012001 -0.00002577
0.01828023 0.01638500 -0.01460364
-0.66058868 8.15852013 -14.82489631
0.00035258 0.00009788 -0.00013343
-0.00755871 -0.03372096 0.00916840
0.82261050 -0.87971312 -16.71860943
-0.00020222 0.00022991 -0.00029504
-0.04133668 0.01492766 0.01494303
11.58027836 21.10049597 -23.09212258
0.00050074 -0.00007762 -0.00015395
0.03374368 0.00550655 0.00311835
-11.26305401 15.17768620 -16.00912499
0.00008490 0.00021131 -0.00038902
-0.02938213 -0.02136689 0.00963786
4.31253415 17.49894899 10.99377247
0.00031582 0.00018390 -0.00033791
0.03758197 -0.01868770 -0.01637630
-2.05611388 -11.10368024 -3.55137483
0.00004789 -0.00018010 -0.00014912
-0.01392611 0.02014873 0.01230261
1.18618193 -7.98352284 3.69616564
-0.00007716 -0.00034152 0.00008971
0.05258540 0.01169560 0.01668770
9.59068793 1.79436919 8.08631657
0.00013577 0.00017789 0.00026955
-0.00922823 0.00037452 0.00999438
-6.94790516 -9.47553135 -2.95602088
0.00024743 0.00031735 -0.00027610
-0.00780578 0.01472779 -0.01989434
3.93546284 -12.55996086 -12.92607649
-0.00006269 0.00019433 -0.00010764
0.01508228 -0.00740457 0.00860012
1.12304007 -4.62612304 -1.04853880
0.00011028 0.00016471 0.00016545
-0.00010158 -0.01748237 0.01576788
16.83128550 4.42181286 27.30013260
0.00035597 0.00016669 -0.00035275
-0.00701744 -0.03387330 0.02122662
-9.59564960 6.20573175 -4.50240626
0.00005964 -0.00055414 0.00014411
0.00383240 0.01411391 -0.01397287
-5.10516779 14.91462480 -9.09536593
0.00028626 0.00004923 -0.00031282
0.00372693 0.00001569 -0.00082816
3.07865206 12.17984325 -6.82845576
-0.00017845 -0.00006807 0.00003565
-0.01314043 -0.00209370 -0.00011081
-4.29170610 11.77420692 -13.77091441
0.00026694 0.00023349 -0.00003254
-0.04371489 0.03025178 0.01676235
3.80481679 7.18981987 17.43202807
0.00015500 0.00001889 -0.00010087
-0.02018976 0.01671422 0.01119678
-15.14890475 8.82910745 -9.06082291
-0.00046751 -0.00014394 -0.00019116
0.05469759 -0.01017085 0.02678921
3.73266418 9.19188214 0.37112641
-0.00003990 0.00038507 0.00053109
0.01313698 0.00446813 0.00061614
15.71253249 -24.00077107 -26.63426183
0.00027564 -0.00005802 -0.00016277
-0.01510976 0.00642403 -0.02197683
5.83594909 4.27661319 0.05532123
-0.00012678 -0.00025780 0.00023293
-0.01317119 -0.01150770 -0.01985654
17.00982951 -5.32299623 0.45688148
0.00028754 0.00012528 -0.00009083
0.00871836 0.01282553 -0.01759878
-4.53879606 2.55516796 -2.74741378
-0.00032307 -0.00009777 0.00044552
0.04307710 0.02046712 -0.00603229
0.95317204 2.33065446 -11.88963419
-0.00022380 0.00010336 0.00026648
0.01110251 0.01907601 -0.07268193
15.62382558 9.02238170 -7.50632014
-0.00026927 -0.00016915 0.00012233
-0.03086336 0.01710112 0.02074669
-6.20855605 0.95215573 12.72384851
-0.00025808 -0.00009885 0.00018513
0.01064797 -0.01152333 -0.04975031
-3.44568239 -16.19703964 12.64854953
-0.00013327 0.00035975 0.00040790
0.01319034 0.02981249 -0.01642309
7.00060120 -7.03400472 -5.94428577
0.00010195 0.00018157 -0.00027679
0.01941150 0.01252686 -0.03638114
-1.16847062 -11.52551763 1.67351566
0.00014047 -0.00001909 -0.00034289
-0.01073716 -0.01087892 0.00171181
-16.38946896 -1.78952009 5.09702757
0.00031679 0.00006046 0.00023726
0.02708003 0.01007764 0.02121774
-8.99567995 3.72014708 -21.81537011
-0.00029987 -0.00037944 -0.00036882
-0.00087495 0.02381577 0.01390563
2.20427987 1.27694304 -1.30433154
0.00016279 0.00000402 -0.00004892
-0.02111161 -0.00499654 -0.02852982
12.37182683 8.60381095 3.84068499
0.00024106 -0.00029253 0.00011039
0.01738053 0.03729657 -0.01428864
-7.33577427 -4.16145372 2.40520117
-0.00010738 0.00059222 -0.00008379
0.03484747 -0.01197932 -0.03860273
-10.05165874 -2.78060666 2.43858623
-0.00089474 -0.00133353 -0.00077045
0.02767405 -0.01161597 -0.00398827
-16.66080248 6.04491232 6.91527601
-0.00032351 -0.00068338 0.00004222
-0.02121371 -0.01928272 0.00021742
-17.00903080 3.75237075 5.30351036
0.00000843 -0.00065447 -0.00063259
-0.00246612 -0.00935352 -0.01039844
-15.79319047 0.99330481 0.74062696
-0.00096233 0.00045677 -0.00030355
-0.00864487 -0.04063618 -0.01024262
-17.02884738 -1.64841934 -0.27850306
0.00078324 -0.00022685 0.00087070
-0.05144864 -0.00915835 -0.03486007
1.81845868 -21.17166209 14.93777195
-0.00066443 0.00092807 -0.00007030
0.02336078 0.01613855 0.00889476
3.89495990 -18.91485676 15.72038492
-0.00135680 -0.00009143 -0.00016662
-0.01239382 0.01033925 -0.00198645
8.41960619 14.27860977 -1.28848926
-0.00005893 -0.00003617 -0.00027888
-0.01203085 0.01038286 0.00780909
7.67118786 16.70899196 0.23982424
-0.00059081 -0.00045420 0.00084124
0.00569173 0.01055333 0.01946989
-8.57573816 9.09321009 12.35977673
0.00049993 0.00039789 -0.00008664
0.01203802 0.00073073 0.01295173
-10.47494657 11.23920564 11.91344667
-0.00028777 -0.00022899 -0.00127031
0.00902427 -0.02564971 -0.00751277
-9.85988015 0.20148247 -14.17535941
-0.00082110 -0.00015653 -0.00125108
0.03359287 -0.01315116 0.00232163
-8.27366570 -2.15707064 -15.19459490
-0.00029186 -0.00082253 -0.00029408
0.00338625 0.01829559 0.00431676
-12.27743170 1.09430236 -6.91258711
-0.00066995 -0.00039036 -0.00061137
0.01629555 0.00806357 0.00312586
-10.50476366 3.52065825 -6.00084065
-0.00063307 -0.00011252 -0.00009576
-0.00887570 -0.00851813 -0.00593330
-1.95149564 -6.06394133 14.45711944
-0.00032635 0.00009321 0.00010589
0.02140800 -0.00376733 0.01113196
-0.24926498 -5.77641697 16.87900000
-0.00023028 0.00024102 0.00044276
-0.00339708 0.00177050 0.03398735
-24.80932105 -0.48369606 -19.13564608
-0.00056020 -0.00033626 0.00056996
0.01706626 0.00315288 0.03601546
-25.61291348 1.08718883 -21.42658325
0.00003705 -0.00033957 -0.00003551
-0.00215484 0.02179158 -0.01351293
9.53772476 8.75033652 6.60432967
-0.00030168 0.00051189 0.00035582
0.00028122 -0.02408709 0.01435970
10.09335223 7.62209395 9.26173852
0.00019798 0.00030676 -0.00010424
-0.00461529 0.00853977 -0.00779534
19.76082240 27.40256859 -4.11320848
0.00009899 0.00018564 -0.00013136
0.00591013 0.01106348 -0.00098778
20.10441687 30.42224008 -4.32293876
0.00026531 -0.00039741 -0.00015341
-0.00606758 0.01583351 0.00738323
6.40714634 -0.30940270 -6.82415613
0.00005953 -0.00073683 -0.00020323
0.01456539 -0.03258075 -0.00873201
6.99114032 -3.23006747 -7.23607504
0.00085711 -0.00009788 -0.00002580
-0.01424072 -0.02102432 0.00176839
-8.53593193 -2.35016450 12.12125126
-0.00016589 -0.00014178 0.00045481
-0.02755680 -0.01312767 0.01786800
-11.01972095 -2.84920991 13.82645869
-0.00022091 -0.00094793 -0.00106536
-0.01857831 0.01873247 0.00314961
-1.48635643 -24.39005999 14.63860817
-0.00016607 0.00001834 0.00126377
0.00952111 -0.00680580 0.00044175
-3.08411578 -22.33059191 13.42775869
0.00009195 0.00054692 0.00037177
-0.01152329 0.00661158 0.00330906
-12.17593824 -7.73800177 -7.26460064
0.00039448 0.00050913 0.00049086
-0.03563889 -0.00131834 0.02511596
-10.42205472 -7.25465610 -9.27497978
-0.00094121 -0.00167336 0.00098354
0.00899456 -0.00164652 -0.00061343
-16.13084696 -10.30013331 -15.45844308
-0.00050842 -0.00068095 -0.00114891
-0.00140750 -0.03298066 0.00213098
-14.25906004 -8.05642853 -16.14507047
0.00029505 0.00005426 -0.00018075
-0.00543649 -0.00358283 0.00286294
16.76695846 12.59961516 5.30473402
0.00051210 0.00021377 0.00016376
0.00546570 0.00233824 0.01202617
17.42292828 14.04560512 2.83548923
0.00018569 0.00019936 -0.00054536
-0.01574726 -0.01473358 0.00844841
18.64165829 -4.00145208 -15.13233547
-0.00044123 -0.00094907 0.00046093
0.01463982 -0.00079431 -0.00000212
21.61923839 -3.28828083 -15.41829361
-0.00004176 0.00022344 -0.00003661
-0.03300093 -0.01650964 0.01250165
-1.85337914 7.26114355 -13.69672292
0.00050487 0.00007669 0.00047676
0.01230584 0.00929098 -0.00688245
0.12477791 6.68954673 -15.66447580
0.00041352 0.00004814 -0.00137924
-0.00299462 0.01589409 0.00145985
0.99780320 0.42804471 -15.43572534
-0.00028740 0.00026248 -0.00044121
-0.00524780 0.00029828 0.00478064
2.50292219 -1.06559285 -17.23194336
-0.00002429 0.00020923 -0.00068167
0.04565291 -0.01017180 -0.01112560
12.08023763 22.85779846 -22.70252161
-0.00040888 -0.00167648 0.00040533
-0.00889077 -0.00704947 0.00193961
9.79174560 21.00707672 -23.16588914
-0.00004891 0.00084101 0.00024734
-0.02223801 0.00242131 -0.00093405
-10.13074568 16.19586173 -16.98562541
0.00027747 -0.00048464 -0.00000249
0.01955397 0.01374205 -0.00906550
-10.76950844 14.83027008 -14.30931391
-0.00066466 0.00091375 -0.00074874
0.01083256 0.00450126 -0.00078592
2.81349980 18.38263853 11.21367098
-0.00023311 0.00098198 0.00090412
-0.03554557 0.01756248 0.00783915
4.82724317 17.85144898 9.26428649
0.00071035 0.00022201 -0.00075480
-0.00177833 -0.00020229 0.00476769
-3.70037328 -10.35906255 -3.13594179
-0.00103104 0.00066360 0.00137858
-0.00434573 -0.00466595 -0.01799401
-1.48047267 -11.09115197 -1.80895903
-0.00072403 -0.00035802 -0.00066376
0.01868953 -0.00775121 0.01042922
0.32930090 -6.77473265 4.76456564
-0.00029814 -0.00096060 -0.00035218
-0.00538091 0.00029187 0.00609048
3.00675001 -8.01866693 4.35845695
0.00005209 -0.00097837 0.00034508
-0.03547576 0.00026819 -0.00908855
8.70923694 2.06664768 9.69022660
-0.00169613 0.00000102 -0.00046578
0.00782958 -0.00519042 -0.01088743
9.50545385 3.44043927 7.28894337
0.00028798 0.00073071 -0.00018868
0.00173401 0.00641327 -0.00025550
-7.87492907 -9.01823087 -4.48704227
-0.00052026 0.00005462 0.00088005
0.01239743 0.00366908 0.00273412
-8.33784915 -10.14685981 -2.03136256
-0.00025253 -0.00009317 0.00001960
-0.01118088 -0.01195234 0.02063283
5.00191911 -13.75863280 -11.95423727
-0.00023605 0.00066706 0.00002419
-0.01511949 0.01395297 -0.01327786
2.31143341 -13.29127186 -13.35028417
0.00038951 0.00054257 -0.00115892
-0.00357788 -0.00237599 0.00101843
1.31898046 -6.13572905 0.04961608
0.00025641 -0.00072452 0.00056293
0.00036714 0.01580760 -0.01287374
-0.13062105 -3.67893563 -0.11462936
0.00002075 0.00049212 -0.00034907
-0.00236278 0.00078790 -0.00379020
17.53285520 3.59218994 25.81168236
-0.00003010 -0.00024437 -0.00005222
-0.00693557 0.00353749 0.01335882
16.26497920 3.00136096 28.47128127
0.00056945 0.00023902 0.00058594
0.01242143 0.02827366 -0.03173764
-10.97873765 7.34048625 -4.14582644
0.00006521 0.00083449 -0.00015384
-0.00770609 0.00166174 0.01013506
-8.56841618 7.29018417 -5.67524283
-0.00023070 0.00043487 -0.00013296
0.00062395 -0.00948216 0.01516038
-6.40876263 16.20966985 -9.23764683
-0.00003501 -0.00016993 0.00037870
0.00584964 -0.00889202 -0.00173705
-4.73888113 14.16031309 -10.74945543
0.00001797 0.00004719 -0.00042388
-0.00466279 0.00704565 0.00491764
2.97515679 10.45370559 -6.11688352
-0.00019694 0.00086056 0.00052050
-0.00243133 0.01939526 -0.00411405
1.49260088 13.16435844 -6.62339825
0.00026821 -0.00020072 -0.00081871
0.01555839 -0.01461692 -0.00109334
-2.81438314 10.96992691 -14.26000482
-0.00044251 0.00007758 0.00037124
0.03882936 -0.02338253 -0.01308627
-5.57290867 10.50501803 -13.53923757
0.00103632 -0.00007401 0.00022147
-0.00162731 -0.00443523 0.00356242
3.92253760 7.99896366 19.14107628
0.00060779 -0.00003183 -0.00013839
0.00372318 -0.01113185 -0.01456251
1.92549016 7.11604441 17.24208207
0.00044870 0.00043604 0.00008790
0.00969309 -0.00965057 0.00339288
-13.36097698 8.64241719 -8.37663340
0.00022226 -0.00001017 -0.00010961
-0.03097399 0.00918552 -0.03023879
-15.95082718 8.14744227 -7.58415988
-0.00029838 0.00040296 -0.00005382
-0.02282813 -0.00160877 0.00961695
5.35064635 10.27833561 0.34351542
-0.00020956 -0.00049132 -0.00106399
-0.03630313 -0.02095184 0.01301201
2.38703840 9.36129244 1.68522051
-0.00011954 0.00001769 -0.00115133
0.02580176 0.00904506 -0.02189419
14.27744647 -24.04522779 -25.45984359
0.00020087 0.00053782 0.00009676
-0.00343060 0.00055320 -0.00855108
14.95447112 -23.54873814 -28.33428372
0.00008453 -0.00088349 0.00013128
0.01318625 -0.01095853 0.03607487
4.74344638 3.30469098 -1.15191621
-0.00063282 0.00042408 0.00039218
0.01226267 0.01541338 0.02326871
4.84121304 5.84515069 0.19848017
-0.00050563 -0.00003278 0.00001249
0.01104043 -0.00149597 0.00822631
16.91326944 -3.74768850 -0.51891978
-0.00001178 0.00092139 -0.00001010
0.01007616 -0.01081623 0.00891871
16.78074938 -6.61758567 -0.81138496
-0.00036007 -0.00078036 -0.00036046
-0.00803056 -0.00469056 -0.00264820
-5.79435586 3.13303355 -1.65259384
-0.00029484 -0.00153571 -0.00087921
-0.03203007 0.01609494 0.02037895
-5.09240759 0.94002991 -3.30213174
-0.00063028 -0.00001860 -0.00079893
-0.00879667 -0.02669204 -0.01527545
2.50430719 2.89583617 -11.25309423
0.00075637 0.00037435 -0.00030413
0.01882360 0.00538367 0.01114284
-0.09089740 1.68496365 -10.68491267
-0.00022721 0.00048636 -0.00052493
-0.02719870 -0.02747188 0.04844215
16.66319270 7.67151681 -8.15692170
0.00014180 -0.00034396 0.00097521
0.03340803 0.00326896 -0.00798174
16.36420228 10.69408594 -7.27932963
-0.00099274 -0.00020475 0.00051466
0.00554068 -0.01796073 -0.00660486
-6.45360810 0.43008749 10.88388342
-0.00035596 -0.00036153 0.00016443
0.00538690 0.00764664 0.02692348
-7.77926411 1.78856487 13.04925679
-0.00080985 0.00093526 0.00088861
-0.02093575 0.00621702 0.01686818
-2.17506036 -16.41556824 13.92869568
0.00034957 -0.00189739 0.00007694
0.00757446 0.00742400 0.01508611
-4.28361747 -17.73261436 12.60069597
-0.00104562 -0.00053903 0.00015820
-0.02143649 -0.04553808 -0.00563384
7.16349513 -6.40827562 -4.24490901
-0.00032037 0.00026575 -0.00057082
-0.00919008 0.00170607 0.01439547
5.63043344 -8.22630186 -6.14480732
-0.00037355 0.00036329 -0.00089987
-0.01055182 -0.00416169 0.01339781
-2.87510878 -11.65280200 2.40221811
-0.00013011 0.00033973 -0.00028141
0.01265967 0.00200443 -0.00375329
-0.22244520 -10.35927508 2.80113041
0.00040657 0.00027720 -0.00028790
-0.00934331 0.00008136 -0.00846934
-14.86392095 -0.90380774 5.79951159
0.00058618 -0.00021648 -0.00066056
-0.02960763 -0.01380628 -0.00818847
-16.11962257 -1.72855421 3.22626081
0.00036610 -0.00032067 0.00108632
0.00361273 0.00124156 0.00868624
-9.59691468 4.91068371 -23.10622574
0.00006324 -0.00018053 -0.00010808
0.00501067 -0.00640651 0.00518771
-9.00014778 4.75587196 -20.22975347
-0.00002080 -0.00079955 -0.00110518
0.00019668 -0.01290821 -0.02030763
1.92158008 1.44627985 -3.17528823
-0.00060901 -0.00055535 0.00099562
0.00178751 -0.00926486 0.03058570
0.68808203 0.57706789 -0.51416027
-0.00096571 -0.00095487 -0.00042142
0.00822744 0.00706244 -0.00999732
13.82651233 9.82965337 3.92329789
0.00015335 -0.00043693 -0.00099106
-0.02155353 -0.02399127 0.00029777
11.36804901 9.49630173 2.52707920
-0.00014188 0.00011629 -0.00059846
0.00196456 -0.01357889 0.00622088
5.46781981 -9.06122469 -10.63847614
-0.00006508 -0.00026379 0.00013814
-0.00249578 0.00183395 -0.00031926
-13.02957293 10.43322999 21.16170144
-0.00001446 -0.00003803 0.00014159
0.00878083 0.00136814 -0.00208393
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06795235
0.31742577
422.95393035
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3774387791 (a.u.)
total exchange computation time: 3.3837909698 s
-154.1402497903
-931.38429599
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3771591552 (a.u.)
total exchange computation time: 3.3807728291 s
-154.1438406623
Anderson extrapolation: theta=1.3568902610 (1.3568902610)
-931.38455255
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3767033489 (a.u.)
total exchange computation time: 3.3840408325 s
-154.1493331996
Anderson extrapolation: theta=0.0560590251 (0.0560590251)
-931.38470884
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.055 s
total exchange = -52.3766164692 (a.u.)
total exchange computation time: 3.3798658848 s
-154.1501847440
Anderson extrapolation: theta=2.0521452269 (2.0000000000)
-931.38471557
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3764273220 (a.u.)
total exchange computation time: 3.3802599907 s
-154.1519716074
Anderson extrapolation: theta=0.2568979574 (0.2568979574)
-931.38472326
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3763798788 (a.u.)
total exchange computation time: 3.3811399937 s
-154.1523756369
Anderson extrapolation: theta=1.6398912760 (1.6398912760)
-931.38472485
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3763238381 (a.u.)
total exchange computation time: 3.3790328503 s
-154.1528141040
Anderson extrapolation: theta=0.3081713568 (0.3081713568)
-931.38472657
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3763276208 (a.u.)
total exchange computation time: 3.3797252178 s
-154.1527412716
Anderson extrapolation: theta=1.1690923892 (1.1690923892)
-931.38472699
238.673037 -11.733749 201.077858
-141.500285 489.844654 -804.360741
97.172752 478.110905 -603.282884
775.875518
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.053 s
total exchange = -52.3763464104 (a.u.)
total exchange computation time: 3.3799200058 s
679.03133540
-1083.71798376
89.63857416
-389.13499717
-174.82530950
78.27824913
551.60419304
0.00000000
-931.38472728
-8.77030715 -3.82029723 3.34433564
0.00006902 -0.00033784 0.00052100
-0.07135651 0.02629740 0.04865318
-17.89914560 4.62458643 6.60587051
0.00012211 -0.00022527 -0.00011463
0.02274133 0.02544537 0.00427707
-15.68296363 -0.95813021 0.56467813
0.00012975 0.00006475 -0.00010839
0.06634649 0.06033038 0.02873230
3.48561544 -20.68171489 15.70339304
-0.00022800 -0.00003322 -0.00018397
-0.01733028 -0.02313483 -0.00596418
7.41779592 15.88766181 -1.31447019
0.00024818 0.00015352 -0.00018500
0.00912356 -0.01962209 -0.00752340
-9.75218311 9.66912818 11.11242616
-0.00014425 -0.00010478 0.00018487
-0.02641115 0.01508012 -0.02009857
-8.08629418 -0.62777693 -14.12545646
-0.00023289 0.00036280 -0.00014410
-0.03591412 -0.00472606 -0.01257777
-10.81816427 2.18507414 -7.27026280
-0.00000778 0.00038486 0.00059289
-0.00539601 -0.00565092 -0.00695827
-0.19205064 -5.74397332 15.10975463
-0.00008893 -0.00002339 0.00019976
-0.02556399 -0.00116531 -0.03723241
-25.35914829 -0.56219369 -20.80426623
-0.00045158 -0.00014375 0.00008697
-0.00421914 -0.02741485 -0.02227551
8.87966132 7.50593890 7.85544567
-0.00007395 0.00000209 -0.00001400
0.00994443 0.00955404 -0.01014209
20.75737664 28.79643410 -4.85863811
-0.00003740 0.00004900 -0.00020643
0.00883792 -0.04473509 -0.01066253
7.75988439 -1.61253401 -7.19081726
-0.00009462 0.00014778 -0.00004697
-0.00106747 0.04604392 0.00473002
-9.48861076 -3.55216291 13.21875600
0.00036780 0.00020262 0.00046510
0.04351133 -0.01154661 -0.02518363
-1.36830293 -22.74353901 13.86547541
0.00022902 -0.00002926 0.00005492
0.00629226 -0.00057580 0.00547004
-11.08709694 -8.68265671 -8.33627361
0.00010764 0.00007314 0.00011682
0.01432119 -0.00096378 -0.01021909
-15.96676783 -8.54027131 -15.55853584
0.00018621 0.00004219 0.00011874
-0.00008094 0.02964944 -0.00429048
16.47438622 12.58814103 3.51369541
0.00039693 0.00024052 0.00013688
0.00835690 0.01265617 -0.01819544
20.32467992 -4.60472805 -14.72212611
-0.00033731 0.00012816 -0.00003311
0.02178338 0.01528114 -0.01392697
-0.65532917 8.15985821 -14.82686244
0.00034890 0.00007981 -0.00012902
-0.00675375 -0.03652562 0.00800414
0.81941781 -0.87620684 -16.72297737
-0.00022258 0.00023731 -0.00028775
-0.03784879 0.01381996 0.01341871
11.58791959 21.09935297 -23.09441979
0.00051592 -0.00007733 -0.00015289
0.02527923 -0.00437411 0.00100188
-11.26189383 15.18077346 -16.01492307
0.00006886 0.00020014 -0.00038492
-0.03299090 -0.02208350 0.00630598
4.31741640 17.50163539 10.98864071
0.00033320 0.00017560 -0.00034662
0.02999317 -0.01358934 -0.01750681
-2.05544932 -11.10630398 -3.55356414
0.00003781 -0.00016854 -0.00014322
-0.02523555 0.02480976 0.01062899
1.18522739 -7.98860052 3.69757567
-0.00004943 -0.00033634 0.00009765
0.05522530 0.00845316 0.01418901
9.59268896 1.79703893 8.09039843
0.00013065 0.00017929 0.00027426
-0.01068095 0.00509771 0.00830330
-6.94422380 -9.47071425 -2.96023912
0.00024253 0.00032401 -0.00028441
-0.01126292 0.01115348 -0.01241682
3.93458069 -12.55707441 -12.92765786
-0.00005476 0.00019130 -0.00010346
0.01574144 -0.00439663 0.00763146
1.12469381 -4.62371987 -1.04599622
0.00011055 0.00015454 0.00017416
0.00117576 -0.02206644 0.01810494
16.83659791 4.42418248 27.29492327
0.00035209 0.00014913 -0.00034109
-0.00804979 -0.03437858 0.02408591
-9.59474022 6.19747415 -4.50029853
0.00006078 -0.00054502 0.00013673
0.00059958 0.02132552 -0.01472031
-5.10085949 14.91536327 -9.10006148
0.00028818 0.00004921 -0.00031319
0.00374123 -0.00009961 -0.00059774
3.07592461 12.17881415 -6.82792138
-0.00018430 -0.00006852 0.00003504
-0.00961235 0.00034618 -0.00226235
-4.28787055 11.77782595 -13.77133792
0.00024376 0.00024980 -0.00002365
-0.04644452 0.03318477 0.01781393
3.80706385 7.19016765 17.43055823
0.00014514 0.00002751 -0.00009503
-0.01811805 0.01682279 0.01151425
-15.15570642 8.82690908 -9.06358701
-0.00043852 -0.00014905 -0.00017740
0.05803797 -0.00969569 0.02673075
3.73211640 9.19767544 0.37909510
-0.00003244 0.00038628 0.00052956
0.01586676 0.00022923 -0.00654600
15.71660888 -24.00161655 -26.63678816
0.00026772 -0.00005492 -0.00017331
-0.01569580 0.00560818 -0.01899997
5.83399664 4.27270177 0.05873858
-0.00013390 -0.00026290 0.00022292
-0.01453821 -0.00830861 -0.01908923
17.01417624 -5.32106758 0.45545119
0.00029169 0.00013149 -0.00010134
0.00742920 0.01132381 -0.02327313
-4.54347597 2.55378028 -2.74075422
-0.00029914 -0.00008928 0.00044030
0.04999396 0.01256375 -0.01427128
0.94985783 2.33227849 -11.88591741
-0.00021548 0.00011440 0.00022838
0.02126406 0.02386087 -0.07544022
15.61966754 9.01991038 -7.50440518
-0.00028545 -0.00016094 0.00013281
-0.03207695 0.01481813 0.02000059
-6.21238611 0.95062859 12.72643355
-0.00025432 -0.00010376 0.00016008
0.00395992 -0.00757338 -0.04764065
-3.44763054 -16.19152844 12.65460461
-0.00012739 0.00037186 0.00040001
0.00965457 0.01729298 -0.01422197
7.00220531 -7.03123289 -5.94857791
0.00011148 0.00018748 -0.00029598
0.01765515 0.01046913 -0.03825063
-1.16640493 -11.52584595 1.66837897
0.00013483 -0.00002445 -0.00034160
-0.01121502 -0.00994604 0.00329173
-16.38461262 -1.78857431 5.10066835
0.00033036 0.00006544 0.00024890
0.02566162 0.00926863 0.02404434
-9.00018143 3.71454736 -21.82084877
-0.00030026 -0.00036798 -0.00036248
-0.00061737 0.02073892 0.01073690
2.20664027 1.27698403 -1.30517532
0.00015012 0.00000043 -0.00006139
-0.02815290 -0.00895488 -0.01996165
12.37550980 8.59956689 3.84228571
0.00024897 -0.00027286 0.00010191
0.01338614 0.03917378 -0.01869136
-7.33631708 -4.15293748 2.40276145
0.00003444 0.00054313 -0.00024005
0.03457340 -0.01204908 -0.03788803
-10.06423179 -2.80096553 2.42690727
-0.00077616 -0.00138461 -0.00078094
0.03036821 -0.01338691 -0.00114711
-16.66630525 6.03407074 6.91591597
-0.00040493 -0.00075692 0.00004353
-0.01863983 -0.01671422 0.00042496
-17.00897986 3.74226710 5.29370293
-0.00000562 -0.00068733 -0.00066814
-0.00441307 -0.00673131 -0.00700534
-15.80789036 0.99891110 0.73575980
-0.00099600 0.00028748 -0.00034496
-0.00783352 -0.04223219 -0.01002461
-17.01867530 -1.65210267 -0.26651073
0.00055991 -0.00027227 0.00072023
-0.05787378 -0.01307545 -0.03879686
1.80920804 -21.15724655 14.93699003
-0.00056822 0.00099134 -0.00003331
0.02373684 0.01483613 0.00921147
3.87422816 -18.91591137 15.71782474
-0.00140431 -0.00004485 -0.00017362
-0.01086221 0.01245994 -0.00143750
8.41835359 14.27838537 -1.29243313
-0.00010785 0.00000631 -0.00024679
-0.01191482 0.01041233 0.00789570
7.66250009 16.70250235 0.25303945
-0.00056932 -0.00041629 0.00091204
0.00482790 0.00800328 0.01518737
-8.56787039 9.09920085 12.35887404
0.00054787 0.00040200 -0.00003375
0.01142923 0.00127899 0.01293639
-10.47898655 11.23498475 11.89416179
-0.00025244 -0.00032896 -0.00129681
0.00827059 -0.02328387 -0.00545797
-9.87116728 0.19873157 -14.19405445
-0.00068100 -0.00020992 -0.00123919
0.03498780 -0.01298499 0.00349776
-8.27793977 -2.16884796 -15.19887376
-0.00027595 -0.00073706 -0.00026940
0.00439777 0.02354335 0.00776090
-12.28698154 1.08869409 -6.92166195
-0.00059566 -0.00035143 -0.00059950
0.02006575 0.01098950 0.00268532
-10.51453172 3.51870943 -6.00245892
-0.00066817 -0.00013938 -0.00011144
-0.00830675 -0.00463004 -0.00174084
-1.95573495 -6.06265864 14.45904884
-0.00023698 0.00007802 0.00015189
0.02234313 -0.00366760 0.01138756
-0.25282330 -5.77274749 16.88668293
-0.00024390 0.00024804 0.00057597
-0.00326815 0.00166885 0.03121686
-24.81720106 -0.48864341 -19.12599305
-0.00049359 -0.00032350 0.00070767
0.01553867 0.00309723 0.03139643
-25.61242370 1.08276300 -21.42752991
0.00002781 -0.00024731 -0.00009141
-0.00237025 0.02337393 -0.01385133
9.53320816 8.75727676 6.61010696
-0.00030075 0.00041339 0.00041341
0.00017237 -0.02412892 0.01383141
10.09618046 7.62695706 9.25993604
0.00017800 0.00034073 -0.00013665
-0.00516373 0.00808571 -0.00806802
19.76248837 27.40569224 -4.11520913
0.00012202 0.00022957 -0.00013438
0.00536209 0.01044064 -0.00049289
20.10821060 30.41676406 -4.32501364
0.00023779 -0.00032694 -0.00012163
-0.00740584 0.01866321 0.00817148
6.40848557 -0.32145353 -6.82747222
0.00011292 -0.00086371 -0.00023716
0.01157327 -0.02952959 -0.00787485
7.00356058 -3.23217998 -7.23640789
0.00079778 -0.00018608 -0.00001857
-0.01480243 -0.02214766 0.00176951
-8.53926475 -2.35269341 12.12862087
-0.00027507 -0.00019092 0.00052385
-0.02588623 -0.01092951 0.01593131
-11.02360394 -2.86285476 13.81057473
-0.00030291 -0.00086855 -0.00105059
-0.02155825 0.02012066 0.00408257
-1.48855573 -24.38999350 14.65757821
-0.00012717 -0.00000226 0.00126181
0.00951920 -0.00327470 -0.00140227
-3.08308964 -22.32218547 13.43343666
0.00004755 0.00057253 0.00038605
-0.01020961 0.00592377 0.00367903
-12.17111313 -7.73040529 -7.25646816
0.00025198 0.00049967 0.00059055
-0.03411330 -0.00331170 0.02368380
-10.43589719 -7.27980693 -9.26024554
-0.00089039 -0.00165429 0.00096181
0.01587850 0.01098084 -0.01002242
-16.13851642 -10.31135818 -15.47561149
-0.00051251 -0.00080116 -0.00114091
-0.00059592 -0.02586229 0.00178508
-14.25480083 -8.05572441 -16.14769396
0.00027075 0.00003855 -0.00016868
-0.00645970 -0.00410921 0.00304237
16.77480745 12.60289340 5.30755898
0.00053453 0.00022380 0.00021148
0.00551609 0.00256804 0.01133361
17.42523108 14.04814405 2.82756769
0.00012112 0.00013877 -0.00050928
-0.01585774 -0.01492494 0.00921499
18.63548843 -4.01571250 -15.12542161
-0.00038606 -0.00094917 0.00045906
0.01236526 0.00074492 -0.00091065
21.61760067 -3.28543506 -15.41845963
-0.00017910 0.00015515 0.00001462
-0.03422739 -0.01692037 0.01257262
-1.84542901 7.26257867 -13.68978244
0.00055808 0.00011483 0.00044576
0.01374043 0.00937687 -0.00829082
0.13088901 6.69075595 -15.68511964
0.00039656 0.00011870 -0.00136798
-0.00530969 0.01864147 0.00404931
0.99333136 0.43199112 -15.44219693
-0.00030823 0.00026443 -0.00042090
-0.00494857 0.00065219 0.00515750
2.50395677 -1.06276611 -17.24250935
0.00015443 0.00016896 -0.00072440
0.04183143 -0.00953929 -0.00979076
12.07383205 22.83243526 -22.69638223
-0.00043693 -0.00168422 0.00041733
-0.00484179 0.00325887 0.00393558
9.79033055 21.01976602 -23.16220766
-0.00013129 0.00084919 0.00024355
-0.01808979 0.00158298 -0.00092048
-10.12598445 16.18901319 -16.98594053
0.00036127 -0.00042500 -0.00004344
0.02146856 0.01545227 -0.01098222
-10.77914643 14.84411427 -14.32056904
-0.00061750 0.00092970 -0.00074067
0.01225543 0.00330696 0.00473489
2.80891392 18.39790633 11.22747305
-0.00035849 0.00104316 0.00093147
-0.02582944 0.01238780 0.00554630
4.83784400 17.85477300 9.25311057
0.00069874 0.00022094 -0.00072818
-0.00390947 -0.00032159 0.00826557
-3.71597200 -10.34925146 -3.11581442
-0.00103079 0.00063582 0.00129790
0.00446610 -0.00893640 -0.02150078
-1.49076049 -11.09675984 -1.81859581
-0.00064212 -0.00039031 -0.00061125
0.02140958 -0.00805355 0.01527251
0.32466396 -6.78913273 4.75946959
-0.00032334 -0.00095344 -0.00032186
-0.00695563 0.00321313 0.00875025
3.00644431 -8.03333430 4.36335462
-0.00009447 -0.00097589 0.00030786
-0.03626536 0.00094699 -0.00913155
8.68403487 2.06650393 9.68290634
-0.00166200 -0.00002037 -0.00051250
0.00888001 -0.00528164 -0.01198352
9.50982665 3.45159651 7.28610528
0.00029547 0.00074771 -0.00018470
0.00193224 0.00190637 0.00220525
-7.88235301 -9.01729917 -4.47375775
-0.00047290 0.00007304 0.00088126
0.01078146 0.00534865 -0.00214095
-8.34197966 -10.14862367 -2.03043632
-0.00028804 -0.00013812 0.00009919
-0.00620341 -0.01005097 0.01832545
4.99791499 -13.74819942 -11.95428136
-0.00029553 0.00071998 -0.00002785
-0.01399195 0.01195600 -0.01219506
2.31716637 -13.28320616 -13.36763673
0.00037101 0.00053027 -0.00115501
-0.00547683 -0.00364474 0.00089274
1.32283779 -6.14611238 0.05766549
0.00025536 -0.00064942 0.00050434
-0.00087984 0.02094956 -0.01580471
-0.13038217 -3.67152963 -0.11998159
0.00001087 0.00049402 -0.00036324
-0.00247432 0.00013969 -0.00314308
17.53219117 3.58863280 25.81130844
-0.00005711 -0.00023149 -0.00000054
-0.00628781 0.00276730 0.01193710
16.27390152 3.00581261 28.47909779
0.00062097 0.00035708 0.00045328
0.01280022 0.02951751 -0.03320102
-10.97799564 7.35305447 -4.14782351
0.00004184 0.00083221 -0.00011346
-0.00373494 -0.00277751 0.00963490
-8.57185759 7.29641667 -5.67677274
-0.00022929 0.00039121 -0.00006825
0.00006812 -0.01189173 0.01651996
-6.40910847 16.20684844 -9.23201954
-0.00001115 -0.00020635 0.00037084
0.00582696 -0.00893894 -0.00211360
-4.73875450 14.16123685 -10.75566297
-0.00000131 0.00007650 -0.00040327
-0.00477499 0.00730014 0.00517001
2.97212814 10.46720829 -6.10920205
-0.00020744 0.00093131 0.00050661
-0.00270540 0.01523585 -0.00268466
1.49710072 13.16089980 -6.63571241
0.00032501 -0.00025614 -0.00082160
0.01224758 -0.01251337 -0.00032182
-2.81983087 10.97037411 -14.25483727
-0.00027334 -0.00002175 0.00031460
0.04397966 -0.02524277 -0.01463809
-5.55741380 10.50377195 -13.53580631
0.00102493 -0.00009432 0.00023682
-0.00394864 -0.00550705 0.00394782
3.93176856 7.99814509 19.13855419
0.00062260 -0.00007726 -0.00019767
0.00352451 -0.01110568 -0.01445740
1.93251769 7.12228934 17.24350455
0.00048449 0.00039636 0.00010115
0.00782515 -0.00977458 0.00309239
-13.35859221 8.64254607 -8.37920409
0.00008963 0.00002737 -0.00023494
-0.03394739 0.00919149 -0.03111132
-15.95600237 8.15343732 -7.58467242
-0.00039213 0.00039535 -0.00001270
-0.02306599 -0.00211699 0.01051035
5.34639057 10.27032376 0.32795429
-0.00035339 -0.00057154 -0.00100789
-0.03410326 -0.01831615 0.01445179
2.38603589 9.36183502 1.66727969
-0.00002393 0.00005793 -0.00122902
0.02099971 0.01065169 -0.01613627
14.28035440 -24.03714356 -25.45865418
0.00018923 0.00053962 0.00006026
-0.00226686 0.00032789 -0.00931540
14.95614311 -23.56232630 -28.33120913
0.00013691 -0.00092741 0.00027396
0.01245587 -0.01053878 0.03376860
4.73432991 3.31152451 -1.14532041
-0.00058328 0.00048397 0.00048464
0.01198364 0.01390027 0.02198660
4.83396683 5.84461313 0.19891959
-0.00045725 -0.00004207 0.00004695
0.01264594 -0.00305198 0.00864449
16.91340149 -3.73419915 -0.51879794
0.00002993 0.00086851 0.00002939
0.01034189 -0.01506454 0.01040835
16.77510219 -6.62943476 -0.81687304
-0.00039119 -0.00078764 -0.00036279
-0.00720124 0.00112343 0.00151023
-5.79976000 3.11049105 -1.66515750
-0.00044302 -0.00146068 -0.00078053
-0.04050555 0.02063593 0.02792397
-5.10213137 0.93893303 -3.31458375
-0.00066201 -0.00012025 -0.00086006
-0.00673407 -0.02306876 -0.01464892
2.51622954 2.90161641 -11.25731470
0.00081907 0.00039090 -0.00026287
0.01186689 0.00271656 0.00905480
-0.09513905 1.69141718 -10.69130221
-0.00034481 0.00036990 -0.00031729
-0.03036326 -0.02953444 0.05319978
16.66634346 7.66645763 -8.14253818
0.00027815 -0.00032945 0.00094329
0.03333273 0.00382976 -0.00764004
16.34948093 10.69046435 -7.27181215
-0.00096739 -0.00027416 0.00048850
0.00686782 -0.01601884 -0.00619985
-6.45878237 0.42489890 10.88717495
-0.00033524 -0.00032917 0.00027487
0.00475460 0.00819295 0.02713354
-7.79205344 1.80278432 13.06310287
-0.00088073 0.00095152 0.00095311
-0.01376121 0.00173881 0.01470317
-2.16958470 -16.44380156 13.93031203
0.00037623 -0.00186454 0.00013371
0.00547571 0.00865648 0.01270392
-4.29995866 -17.74209527 12.60289639
-0.00112204 -0.00070217 0.00013473
-0.01597323 -0.03431785 -0.00585500
7.15840792 -6.40423702 -4.25303014
-0.00035804 0.00027375 -0.00050841
-0.00924983 0.00220957 0.01615302
5.62450687 -8.22097998 -6.15789481
-0.00041314 0.00034937 -0.00084397
-0.00883006 -0.00265206 0.01396647
-2.87667247 -11.64764466 2.39788194
-0.00007554 0.00034801 -0.00029756
0.01404960 0.00204740 -0.00415081
-0.21663296 -10.35511462 2.79655240
0.00036617 0.00027498 -0.00032458
-0.01043143 -0.00116828 -0.00948483
-14.85603552 -0.90747805 5.78935228
0.00046798 -0.00027079 -0.00069079
-0.02825273 -0.01277845 -0.00661116
-16.11402035 -1.73332626 3.24282177
0.00038092 -0.00031588 0.00111238
0.00364287 0.00110311 0.00407107
-9.59581249 4.90777948 -23.10768793
0.00008281 -0.00020573 -0.00008944
0.00456667 -0.00592880 0.00393472
-9.00045373 4.74348314 -20.24695352
-0.00001980 -0.00084685 -0.00117843
0.00029245 -0.01024602 -0.01554741
1.91249966 1.43766570 -3.15941667
-0.00060138 -0.00059107 0.00110762
0.00194952 -0.00822098 0.02423842
0.67384853 0.56296124 -0.52078796
-0.00091855 -0.00091990 -0.00046638
0.01485784 0.01005711 -0.01200886
13.82815219 9.82236424 3.90844105
0.00006853 -0.00053291 -0.00098819
-0.01996785 -0.02299243 0.00110813
11.36598102 9.49763002 2.51829289
-0.00012889 0.00005534 -0.00056545
0.00439218 -0.01625707 0.00994017
5.46683687 -9.06517660 -10.63640491
-0.00006597 -0.00026310 0.00013796
-0.00248739 0.00200965 -0.00065717
-13.02977455 10.43266192 21.16382169
-0.00001241 -0.00003771 0.00014109
0.00887181 0.00138004 -0.00221219
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06757682
0.31715046
422.58709113
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1855056787
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3763846326 (a.u.)
total exchange computation time: 3.3355159760 s
-154.1361236331
-931.38414584
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1855056787
ExchangeOperator: bisection time: 2.054 s
total exchange = -52.3760964166 (a.u.)
total exchange computation time: 3.3363299370 s
-154.1394937646
Anderson extrapolation: theta=1.3626082198 (1.3626082198)
-931.38440457
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1855056787
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3755883099 (a.u.)
total exchange computation time: 3.3368830681 s
-154.1448155462
Anderson extrapolation: theta=0.0583586628 (0.0583586628)
-931.38456378
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1855056787
ExchangeOperator: bisection time: 2.053 s
total exchange = -52.3754640171 (a.u.)
total exchange computation time: 3.3364739418 s
-154.1457669473
Anderson extrapolation: theta=2.1075475473 (2.0000000000)
-931.38457111
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1855056787
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3751809468 (a.u.)
total exchange computation time: 3.3384780884 s
-154.1478139467
Anderson extrapolation: theta=0.2864609389 (0.2864609389)
-931.38457976
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1855056787
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3750890738 (a.u.)
total exchange computation time: 3.3362498283 s
-154.1483765340
Anderson extrapolation: theta=1.4608944876 (1.4608944876)
-931.38458165
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1855056787
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3749727408 (a.u.)
total exchange computation time: 3.3374798298 s
-154.1489846210
Anderson extrapolation: theta=0.3500220769 (0.3500220769)
-931.38458348
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1855056787
ExchangeOperator: bisection time: 2.055 s
total exchange = -52.3749526129 (a.u.)
total exchange computation time: 3.3357319832 s
-154.1489864608
Anderson extrapolation: theta=1.0659479467 (1.0659479467)
-931.38458398
238.597722 -11.839264 201.076438
-141.553572 489.822990 -804.410052
97.044150 477.983726 -603.333614
775.820507
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1855056787
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3749479887 (a.u.)
total exchange computation time: 3.3371310234 s
679.00386535
-1083.66419619
89.64314590
-389.17155467
-174.82089665
78.25020138
551.60419304
0.00000000
-931.38458426
-8.76954713 -3.82526343 3.35233839
0.00003249 -0.00032404 0.00054476
-0.07068829 0.02737421 0.04373860
-17.89722627 4.62130558 6.60416751
0.00013350 -0.00021368 -0.00011342
0.02156860 0.01960102 0.00043854
-15.68076144 -0.95692621 0.56316319
0.00016471 0.00009664 -0.00009307
0.06961480 0.06368948 0.03081317
3.48212857 -20.68230242 15.70061049
-0.00023720 -0.00004521 -0.00018723
-0.01843001 -0.02350008 -0.00672669
7.42155386 15.88988894 -1.31727423
0.00025302 0.00014424 -0.00018767
0.00968051 -0.01647855 -0.00284614
-9.75444881 9.66761469 11.11512164
-0.00015729 -0.00009805 0.00017410
-0.02429417 0.01106230 -0.02177986
-8.08992612 -0.62235312 -14.12766650
-0.00025173 0.00035910 -0.00015155
-0.03732163 -0.00969210 -0.01639745
-10.81830180 2.19082530 -7.26139624
-0.00001152 0.00038013 0.00058816
-0.00916113 -0.01275613 -0.01146077
-0.19348321 -5.74432873 15.11260736
-0.00010218 -0.00002400 0.00018162
-0.02597397 -0.00118597 -0.03328984
-25.36593822 -0.56445563 -20.80304755
-0.00045327 -0.00015794 0.00007690
-0.00235692 -0.02779346 -0.01688494
8.87859047 7.50600711 7.85519659
-0.00006872 0.00000698 -0.00001894
0.01037794 0.00946508 -0.00906038
20.75684978 28.79699655 -4.86177563
-0.00003240 0.00002559 -0.00021213
0.01058258 -0.04631659 -0.01152309
7.75846096 -1.61013964 -7.19150358
-0.00009426 0.00017057 -0.00004481
0.00245268 0.04257561 0.00367389
-9.48292592 -3.54916820 13.22563536
0.00039011 0.00019587 0.00045272
0.04322869 -0.01470597 -0.02297046
-1.36484341 -22.74398015 13.86632033
0.00023175 -0.00003024 0.00005806
0.00432676 -0.00324450 0.00675440
-11.08542711 -8.68156335 -8.33456072
0.00011258 0.00006969 0.00011470
0.00487430 -0.01242896 0.00196510
-15.96397499 -8.53952403 -15.55677126
0.00018613 0.00005550 0.00011659
-0.00021824 0.02207633 -0.00407028
16.48037235 12.59179769 3.51567849
0.00040117 0.00024690 0.00012764
0.00813936 0.01214417 -0.01776123
20.31970429 -4.60274678 -14.72267648
-0.00032526 0.00013561 -0.00004004
0.02508460 0.01372046 -0.01300768
-0.65012175 8.16091450 -14.82876682
0.00034566 0.00006051 -0.00012522
-0.00584107 -0.03852055 0.00674899
0.81593314 -0.87259394 -16.72724180
-0.00024075 0.00024409 -0.00028138
-0.03282971 0.01254526 0.01134188
11.59575584 21.09817622 -23.09670927
0.00052653 -0.00008232 -0.00015302
0.01600860 -0.01504436 -0.00150512
-11.26098817 15.18369035 -16.02067251
0.00005116 0.00018874 -0.00038265
-0.03583527 -0.02225833 0.00250097
4.32253005 17.50421696 10.98337390
0.00034650 0.00017001 -0.00035573
0.02172511 -0.00815410 -0.01793209
-2.05497944 -11.10873633 -3.55567145
0.00002230 -0.00015473 -0.00013815
-0.03510199 0.02888640 0.00910181
1.18469889 -7.99361300 3.69909517
-0.00002061 -0.00033276 0.00010428
0.05688232 0.00544472 0.01158185
9.59460758 1.79974800 8.09454434
0.00012482 0.00018309 0.00027805
-0.01199771 0.00964621 0.00642641
-6.94062934 -9.46581112 -2.96455316
0.00023587 0.00032878 -0.00028877
-0.01464151 0.00738747 -0.00455826
3.93381999 -12.55422189 -12.92918036
-0.00004667 0.00018989 -0.00009989
0.01570664 -0.00109941 0.00625789
1.12635661 -4.62148694 -1.04331398
0.00011145 0.00014222 0.00018393
0.00231786 -0.02584030 0.01988511
16.84184822 4.42628688 27.28989975
0.00034773 0.00013156 -0.00032808
-0.00889024 -0.03397187 0.02653943
-9.59382622 6.18938108 -4.49830437
0.00006024 -0.00053229 0.00012905
-0.00271528 0.02817665 -0.01515730
-5.09652233 14.91610096 -9.10476163
0.00029014 0.00004911 -0.00031339
0.00386755 -0.00026990 -0.00018340
3.07312301 12.17778773 -6.82740446
-0.00018821 -0.00006766 0.00003326
-0.00560234 0.00297002 -0.00466585
-4.28439331 11.78170099 -13.77162400
0.00021967 0.00026733 -0.00001440
-0.04722702 0.03495673 0.01818038
3.80917113 7.19064521 17.42917721
0.00013642 0.00003614 -0.00008912
-0.01579477 0.01671218 0.01144607
-15.16206034 8.82463592 -9.06614489
-0.00040818 -0.00015394 -0.00016365
0.05993006 -0.00932023 0.02671874
3.73169102 9.20347050 0.38701330
-0.00002353 0.00038519 0.00052425
0.01876799 -0.00446826 -0.01411108
15.72056418 -24.00241877 -26.63946106
0.00025967 -0.00005223 -0.00018204
-0.01562701 0.00487112 -0.01495811
5.83193204 4.26872626 0.06200868
-0.00014160 -0.00026629 0.00021341
-0.01539190 -0.00488749 -0.01785737
17.01858030 -5.31905158 0.45384136
0.00029518 0.00013685 -0.00011460
0.00613581 0.00954504 -0.02829520
-4.54777020 2.55248954 -2.73420476
-0.00027201 -0.00008485 0.00043110
0.05551047 0.00466676 -0.02149444
0.94670766 2.33408660 -11.88278264
-0.00020241 0.00012760 0.00018950
0.02957645 0.02746032 -0.07578452
15.61526204 9.01755338 -7.50233593
-0.00030214 -0.00015413 0.00014281
-0.03282097 0.01166789 0.01889742
-6.21618561 0.94904302 12.72865106
-0.00025395 -0.00010656 0.00013631
-0.00253161 -0.00331325 -0.04481712
-3.44950422 -16.18588384 12.66054998
-0.00012332 0.00037741 0.00039334
0.00617585 0.00427208 -0.01174226
7.00394562 -7.02838029 -5.95316515
0.00012006 0.00019235 -0.00031598
0.01569802 0.00846181 -0.03954361
-1.16442576 -11.52625099 1.66326767
0.00012901 -0.00002934 -0.00033958
-0.01142096 -0.00908170 0.00454445
-16.37955830 -1.78755704 5.10449463
0.00034299 0.00006990 0.00026197
0.02347556 0.00808295 0.02677427
-9.00468768 3.70910763 -21.82624461
-0.00030049 -0.00035827 -0.00035793
-0.00029929 0.01703790 0.00698853
2.20878349 1.27695593 -1.30617311
0.00013410 -0.00000514 -0.00006931
-0.03415892 -0.01269048 -0.01086389
12.37929603 8.59562505 3.84374223
0.00025477 -0.00025247 0.00009128
0.00915979 0.04014141 -0.02262025
-7.33474101 -4.14515968 2.39799971
0.00017098 0.00049452 -0.00039041
0.03226268 -0.01174709 -0.03571356
-10.07494368 -2.82214484 2.41515800
-0.00064790 -0.00144183 -0.00078034
0.03241594 -0.01462586 0.00144183
-16.67295038 6.02220480 6.91658198
-0.00047468 -0.00081873 0.00004594
-0.01550292 -0.01354210 0.00075227
-17.00919938 3.73175092 5.28346617
-0.00002763 -0.00070928 -0.00068961
-0.00636242 -0.00401531 -0.00350410
-15.82307034 1.00192914 0.73027828
-0.00102623 0.00011333 -0.00038523
-0.00696862 -0.04301400 -0.00968843
-17.01205008 -1.65658735 -0.25689611
0.00031591 -0.00033105 0.00055733
-0.06156730 -0.01569754 -0.04094681
1.80141213 -21.14192177 14.93677265
-0.00047162 0.00104883 0.00000443
0.02354789 0.01330596 0.00926158
3.85283071 -18.91620235 15.71517646
-0.00144567 0.00000939 -0.00017831
-0.00938623 0.01409119 -0.00086281
8.41637079 14.27879910 -1.29589310
-0.00015582 0.00004816 -0.00021439
-0.01156695 0.01007217 0.00796735
7.65410820 16.69650323 0.26718544
-0.00055140 -0.00038927 0.00096399
0.00394326 0.00522538 0.01024084
-8.55930218 9.10527001 12.35876417
0.00059245 0.00040870 0.00001815
0.01039479 0.00200271 0.01247124
-10.48251966 11.22933688 11.87454241
-0.00022086 -0.00041778 -0.00131449
0.00718512 -0.02019537 -0.00319604
-9.88031014 0.19518488 -14.21253513
-0.00053631 -0.00026217 -0.00122260
0.03583672 -0.01259111 0.00462419
-8.28194431 -2.17918240 -15.20267699
-0.00025617 -0.00063168 -0.00023180
0.00528770 0.02804207 0.01064487
-12.29530162 1.08375932 -6.93057221
-0.00050715 -0.00030140 -0.00058908
0.02326461 0.01350425 0.00241850
-10.52480887 3.51647684 -6.00418387
-0.00070078 -0.00014961 -0.00010941
-0.00765443 -0.00037578 0.00273659
-1.95860493 -6.06160072 14.46167615
-0.00014502 0.00006305 0.00019846
0.02267155 -0.00365978 0.01140631
-0.25658191 -5.76897573 16.89627902
-0.00025684 0.00025466 0.00069523
-0.00306959 0.00156982 0.02716121
-24.82412877 -0.49340094 -19.11441585
-0.00043408 -0.00031088 0.00082407
0.01358990 0.00307970 0.02557785
-25.61207918 1.07976967 -21.42932547
0.00001776 -0.00015030 -0.00014831
-0.00255150 0.02411050 -0.01400311
9.52870212 8.76273823 6.61673192
-0.00029990 0.00031569 0.00046788
0.00024404 -0.02369612 0.01283139
10.09869224 7.63231571 9.25763910
0.00015607 0.00037277 -0.00016974
-0.00557002 0.00759786 -0.00812926
19.76448296 27.40945575 -4.11723998
0.00014242 0.00027032 -0.00013511
0.00462609 0.00950723 0.00013917
20.11155046 30.41243184 -4.32658773
0.00020540 -0.00024610 -0.00008706
-0.00844685 0.02091021 0.00875036
6.41053407 -0.33531411 -6.83127093
0.00015273 -0.00097665 -0.00026720
0.00791179 -0.02575136 -0.00683032
7.01507365 -3.23564983 -7.23663228
0.00073732 -0.00027678 -0.00001131
-0.01479435 -0.02224971 0.00178672
-8.54418403 -2.35589215 12.13696685
-0.00037626 -0.00022993 0.00058375
-0.02364748 -0.00816560 0.01339016
-11.02880815 -2.87526650 13.79494098
-0.00039465 -0.00078496 -0.00103305
-0.02335053 0.02080004 0.00450209
-1.49017163 -24.39012771 14.67646232
-0.00008828 -0.00000848 0.00125214
0.00952152 0.00022939 -0.00332760
-3.08268921 -22.31341600 13.43934011
0.00000912 0.00059504 0.00040202
-0.00860483 0.00509671 0.00413875
-12.16837870 -7.72301176 -7.24688419
0.00011716 0.00048109 0.00068281
-0.03188597 -0.00577984 0.02147931
-10.44876653 -7.30428479 -9.24612554
-0.00081078 -0.00158132 0.00090022
0.02309488 0.02473875 -0.02012731
-16.14622240 -10.32416805 -15.49267050
-0.00051297 -0.00089043 -0.00113406
0.00037397 -0.01783526 0.00157167
-14.25093752 -8.05527213 -16.15013099
0.00024273 0.00002083 -0.00015602
-0.00725670 -0.00456434 0.00315437
16.78299449 12.60632903 5.31107854
0.00055699 0.00023468 0.00025556
0.00547463 0.00276178 0.01024139
17.42656202 14.04976829 2.82021091
0.00005680 0.00007840 -0.00047055
-0.01563144 -0.01462722 0.00973990
18.63007640 -4.02992727 -15.11856356
-0.00034084 -0.00094297 0.00045345
0.00976953 0.00228938 -0.00183623
21.61386529 -3.28362628 -15.41785512
-0.00032038 0.00008600 0.00006571
-0.03492877 -0.01692797 0.01243559
-1.83663678 7.26458845 -13.68335007
0.00061636 0.00015274 0.00040970
0.01478815 0.00917952 -0.00936128
0.13667469 6.69310764 -15.70551532
0.00037070 0.00019943 -0.00134662
-0.00734778 0.02087710 0.00640702
0.98855625 0.43597750 -15.44835244
-0.00032773 0.00026775 -0.00039916
-0.00459733 0.00097430 0.00548561
2.50755504 -1.06052399 -17.25367538
0.00031430 0.00013175 -0.00076045
0.03642894 -0.00867730 -0.00785491
12.06712974 22.80727178 -22.69000165
-0.00044796 -0.00164811 0.00043827
-0.00055616 0.01441936 0.00631378
9.78780685 21.03255233 -23.15858259
-0.00019549 0.00085380 0.00023979
-0.01333609 0.00067339 -0.00092235
-10.11990751 16.18311166 -16.98692871
0.00045156 -0.00035953 -0.00009121
0.02272926 0.01659834 -0.01240126
-10.78803333 14.85816113 -14.33153399
-0.00056474 0.00094086 -0.00071011
0.01356686 0.00215686 0.01022167
2.80274505 18.41393333 11.24161503
-0.00044314 0.00108238 0.00094889
-0.01560835 0.00681243 0.00298314
4.84820523 17.85807731 9.24244122
0.00067873 0.00021955 -0.00068814
-0.00588183 -0.00036148 0.01133299
-3.73129701 -10.33998805 -3.09700475
-0.00099681 0.00059161 0.00120351
0.01216717 -0.01270403 -0.02470497
-1.49973620 -11.10286128 -1.82729660
-0.00054985 -0.00042374 -0.00053984
0.02375435 -0.00830927 0.01968276
0.31960073 -6.80333589 4.75490982
-0.00035475 -0.00093478 -0.00028106
-0.00841990 0.00591938 0.01122323
3.00391604 -8.04794364 4.36769265
-0.00024256 -0.00097067 0.00027103
-0.03622583 0.00160700 -0.00889404
8.65937702 2.06603649 9.67485165
-0.00162383 -0.00004202 -0.00056320
0.00980122 -0.00531359 -0.01283459
9.51431788 3.46287059 7.28340234
0.00030368 0.00074659 -0.00017077
0.00208888 -0.00245365 0.00461329
-7.88911620 -9.01603967 -4.46060444
-0.00043272 0.00009835 0.00086235
0.00889027 0.00703847 -0.00711790
-8.34649035 -10.15100352 -2.02838698
-0.00030282 -0.00017496 0.00016878
-0.00103066 -0.00798159 0.01574141
4.99305336 -13.73703329 -11.95507285
-0.00034955 0.00076386 -0.00007471
-0.01245361 0.00952113 -0.01074392
2.32256367 -13.27536383 -13.38493458
0.00034532 0.00051307 -0.00115155
-0.00709730 -0.00477326 0.00080333
1.32664120 -6.15521180 0.06474628
0.00024946 -0.00055497 0.00043495
-0.00200557 0.02528833 -0.01816199
-0.13029493 -3.66411507 -0.12552645
0.00000057 0.00049328 -0.00037480
-0.00256669 -0.00050334 -0.00251791
17.53114179 3.58524526 25.81166610
-0.00008119 -0.00022205 0.00004465
-0.00549598 0.00185339 0.01018668
16.28360833 3.01207327 28.48487955
0.00067335 0.00047867 0.00031609
0.01283998 0.03000154 -0.03395155
-10.97748252 7.36545246 -4.14923011
0.00003441 0.00081195 -0.00007508
0.00009859 -0.00713965 0.00915175
-8.57529484 7.30192037 -5.67729019
-0.00022972 0.00033828 0.00000140
-0.00027989 -0.01401830 0.01757174
-6.40909720 16.20347920 -9.22652177
0.00001224 -0.00024259 0.00036144
0.00562287 -0.00879990 -0.00248533
-4.73892052 14.16260800 -10.76155365
-0.00002093 0.00010659 -0.00038203
-0.00482853 0.00743039 0.00522976
2.96893368 10.48164474 -6.10168512
-0.00021910 0.00098403 0.00049912
-0.00300325 0.01057211 -0.00098243
1.50235116 13.15667427 -6.64804630
0.00036731 -0.00030232 -0.00082134
0.00845684 -0.01009143 0.00045123
-2.82258325 10.96927428 -14.25056684
-0.00008735 -0.00012649 0.00025299
0.04706365 -0.02602662 -0.01552201
-5.54216092 10.50218836 -13.53213310
0.00100430 -0.00011882 0.00025371
-0.00614656 -0.00648526 0.00432272
3.94121553 7.99664589 19.13514606
0.00063669 -0.00012220 -0.00025576
0.00337254 -0.01089336 -0.01397526
1.94002480 7.12793523 17.24511656
0.00051207 0.00035623 0.00011312
0.00567551 -0.00986900 0.00276736
-13.35828795 8.64323825 -8.38368147
-0.00005305 0.00006466 -0.00036283
-0.03589532 0.00906086 -0.03149460
-15.96259118 8.15930263 -7.58454081
-0.00048603 0.00038618 0.00003098
-0.02289513 -0.00237061 0.01086893
5.34004473 10.26118938 0.31327886
-0.00048681 -0.00064008 -0.00094623
-0.03120964 -0.01523279 0.01572723
2.38632037 9.36303040 1.64834994
0.00005022 0.00010480 -0.00128194
0.01530159 0.01229276 -0.00976730
14.28312341 -24.02903924 -25.45803567
0.00018201 0.00054050 0.00002095
-0.00126657 0.00010272 -0.00992872
14.95857847 -23.57656034 -28.32606499
0.00018517 -0.00096825 0.00040466
0.01116535 -0.00945622 0.03020886
4.72594787 3.31920994 -1.13737714
-0.00053574 0.00053696 0.00057087
0.01129018 0.01203994 0.02022552
4.82749564 5.84388853 0.19988880
-0.00040255 -0.00005734 0.00008310
0.01412774 -0.00442118 0.00904736
16.91416735 -3.72163305 -0.51803820
0.00007270 0.00079962 0.00007419
0.01059380 -0.01865857 0.01152199
16.76901367 -6.64121500 -0.82226855
-0.00041894 -0.00077178 -0.00034867
-0.00638341 0.00663999 0.00539832
-5.80764657 3.08921326 -1.67600981
-0.00062347 -0.00136892 -0.00065357
-0.04782461 0.02428009 0.03422326
-5.11226786 0.93642235 -3.32793353
-0.00068508 -0.00020636 -0.00091773
-0.00455718 -0.01908083 -0.01358324
2.52887917 2.90756315 -11.26098023
0.00085292 0.00039642 -0.00023013
0.00470310 -0.00001428 0.00696831
-0.10124155 1.69606066 -10.69443133
-0.00047109 0.00024754 -0.00009515
-0.03145630 -0.03035962 0.05553669
16.67153706 7.66163317 -8.12862289
0.00041315 -0.00031185 0.00091318
0.03275435 0.00478741 -0.00710209
16.33518048 10.68586103 -7.26467464
-0.00093652 -0.00033474 0.00046420
0.00824451 -0.01363395 -0.00569541
-6.46366525 0.42021243 10.89212938
-0.00031724 -0.00029494 0.00038483
0.00405436 0.00856153 0.02669695
-7.80568614 1.81711033 13.07785004
-0.00092247 0.00094929 0.00100865
-0.00666788 -0.00282690 0.01248374
-2.16377345 -16.47150435 13.93270695
0.00039340 -0.00182642 0.00018000
0.00292721 0.01000297 0.00995517
-4.31727879 -17.75367939 12.60473798
-0.00117542 -0.00081863 0.00011065
-0.01015383 -0.02269133 -0.00593397
7.15275382 -6.40006300 -4.26016132
-0.00039593 0.00028352 -0.00043987
-0.00929508 0.00256878 0.01739627
5.61803915 -8.21582063 -6.17012635
-0.00044529 0.00034184 -0.00078585
-0.00690647 -0.00103570 0.01448019
-2.87737512 -11.64236185 2.39329138
-0.00001620 0.00035635 -0.00031503
0.01500163 0.00203683 -0.00440326
-0.21146001 -10.35102576 2.79139309
0.00032169 0.00026795 -0.00036510
-0.01134279 -0.00226921 -0.01034981
-14.84988159 -0.91193151 5.77878780
0.00035683 -0.00032005 -0.00071388
-0.02615528 -0.01133356 -0.00468832
-16.10819488 -1.73803070 3.25963222
0.00039590 -0.00031176 0.00111899
0.00368912 0.00091528 -0.00083690
-9.59443042 4.90451190 -23.10890898
0.00010037 -0.00022862 -0.00007630
0.00403133 -0.00527904 0.00249972
-9.00074174 4.73046638 -20.26510640
-0.00001835 -0.00088235 -0.00123072
0.00041551 -0.00713093 -0.01004717
1.90353872 1.42854772 -3.14205964
-0.00059352 -0.00062234 0.00119151
0.00189754 -0.00708791 0.01682755
0.66052561 0.54947096 -0.52815163
-0.00084601 -0.00087335 -0.00051841
0.02065154 0.01272728 -0.01345855
13.82856829 9.81366599 3.89365213
-0.00000858 -0.00062376 -0.00098200
-0.01777832 -0.02147701 0.00192257
11.36418221 9.49796198 2.51011578
-0.00010674 -0.00001581 -0.00051819
0.00645294 -0.01856978 0.01319132
5.46584058 -9.06911773 -10.63433721
-0.00006686 -0.00026235 0.00013767
-0.00244299 0.00218181 -0.00100840
-13.02994529 10.43209865 21.16593425
-0.00001034 -0.00003739 0.00014056
0.00898725 0.00138613 -0.00234620
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06782328
0.31676097
422.06811726
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1855056787
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3748628747 (a.u.)
total exchange computation time: 3.3351080418 s
-154.1365433461
-931.38357805
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1855056787
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3746662605 (a.u.)
total exchange computation time: 3.3364372253 s
-154.1394528087
Anderson extrapolation: theta=1.3442159411 (1.3442159411)
-931.38383144
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1855056787
ExchangeOperator: bisection time: 2.055 s
total exchange = -52.3743214515 (a.u.)
total exchange computation time: 3.3390560150 s
-154.1439692975
Anderson extrapolation: theta=0.0517132148 (0.0517132148)
-931.38398340
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1855056787
ExchangeOperator: bisection time: 2.060 s
total exchange = -52.3742377674 (a.u.)
total exchange computation time: 3.3383150101 s
-154.1447408197
Anderson extrapolation: theta=1.9455774324 (1.9455774324)
-931.38398928
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1855056787
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3740547575 (a.u.)
total exchange computation time: 3.3390691280 s
-154.1463442748
Anderson extrapolation: theta=0.2217816520 (0.2217816520)
-931.38399556
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1855056787
ExchangeOperator: bisection time: 2.054 s
total exchange = -52.3740097057 (a.u.)
total exchange computation time: 3.3369581699 s
-154.1466779810
Anderson extrapolation: theta=1.8841830123 (1.8841830123)
-931.38399676
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1855056787
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.3739437348 (a.u.)
total exchange computation time: 3.3354241848 s
-154.1471059077
Anderson extrapolation: theta=0.2792236362 (0.2792236362)
-931.38399826
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1855056787
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3739440978 (a.u.)
total exchange computation time: 3.3382689953 s
-154.1470375267
Anderson extrapolation: theta=1.3150884454 (1.3150884454)
-931.38399861
238.522789 -11.953068 201.083495
-141.607584 489.799050 -804.455964
96.915205 477.845982 -603.372469
775.749751
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1855056787
ExchangeOperator: bisection time: 2.055 s
total exchange = -52.3739577829 (a.u.)
total exchange computation time: 3.3352761269 s
678.98625966
-1083.63016391
89.64714060
-389.19506288
-174.81821455
78.23235149
551.60419304
0.00000000
-931.38399887
-8.76933245 -3.83001844 3.36067856
-0.00000303 -0.00030990 0.00056570
-0.06745383 0.02760025 0.03768299
-17.89514055 4.61817596 6.60246790
0.00014413 -0.00020526 -0.00011421
0.01974383 0.01315174 -0.00350782
-15.67802220 -0.95523086 0.56188596
0.00020052 0.00012962 -0.00007723
0.06964184 0.06454776 0.03078687
3.47849953 -20.68307125 15.69777604
-0.00024678 -0.00005718 -0.00019082
-0.01884617 -0.02303070 -0.00720498
7.42538649 15.89198893 -1.32010022
0.00025807 0.00013669 -0.00018782
0.00997558 -0.01289065 0.00225305
-9.75690193 9.66618654 11.11764909
-0.00016905 -0.00009361 0.00016253
-0.02141033 0.00620591 -0.02320190
-8.09384597 -0.61700408 -14.13000305
-0.00027110 0.00035297 -0.00016080
-0.03800232 -0.01413915 -0.01957912
-10.81851000 2.19647805 -7.25261811
-0.00001702 0.00037177 0.00058103
-0.01220047 -0.01974681 -0.01625314
-0.19511616 -5.74469329 15.11520326
-0.00011550 -0.00002458 0.00016585
-0.02579746 -0.00108376 -0.02802869
-25.37274632 -0.56693198 -20.80195914
-0.00045401 -0.00017210 0.00006981
-0.00054345 -0.02724333 -0.01070071
8.87759969 7.50614833 7.85487761
-0.00006336 0.00001171 -0.00002325
0.01046917 0.00893678 -0.00771501
20.75640456 28.79720168 -4.86500204
-0.00002655 0.00000164 -0.00021825
0.01217102 -0.04679098 -0.01225558
7.75705646 -1.60741681 -7.19216155
-0.00009205 0.00019112 -0.00004324
0.00616014 0.03732013 0.00241301
-9.47690758 -3.54628693 13.23233751
0.00041177 0.00018752 0.00044175
0.04100225 -0.01775230 -0.01967168
-1.36135052 -22.74444631 13.86721735
0.00023339 -0.00003253 0.00006185
0.00205325 -0.00564970 0.00797082
-11.08371967 -8.68056588 -8.33283268
0.00011250 0.00006032 0.00011907
-0.00516215 -0.02403912 0.01502744
-15.96118383 -8.53860644 -15.55503808
0.00018590 0.00006476 0.00011454
-0.00070143 0.01394367 -0.00391743
16.48642127 12.59554803 3.51752455
0.00040524 0.00025289 0.00011878
0.00767869 0.01114896 -0.01668150
20.31492217 -4.60065966 -14.72332721
-0.00031159 0.00014216 -0.00004643
0.02807844 0.01171981 -0.01184043
-0.64495940 8.16167362 -14.83061913
0.00034291 0.00004041 -0.00012209
-0.00483389 -0.03964979 0.00542529
0.81219519 -0.86888426 -16.73141872
-0.00025604 0.00025018 -0.00027619
-0.02659461 0.01115096 0.00883590
11.60371560 21.09688340 -23.09901036
0.00053228 -0.00009289 -0.00015452
0.00632600 -0.02607846 -0.00432705
-11.26035896 15.18643553 -16.02640265
0.00003224 0.00017738 -0.00038242
-0.03773293 -0.02188366 -0.00159301
4.32781130 17.50673562 10.97796874
0.00035550 0.00016721 -0.00036489
0.01329026 -0.00270950 -0.01767415
-2.05478036 -11.11094583 -3.55770855
0.00000212 -0.00013899 -0.00013378
-0.04337151 0.03229899 0.00788756
1.18460921 -7.99858346 3.70070402
0.00000878 -0.00033065 0.00010956
0.05740136 0.00279220 0.00895156
9.59643365 1.80253149 8.09873984
0.00011836 0.00018914 0.00028084
-0.01313501 0.01388077 0.00442949
-6.93714783 -9.46085099 -2.96890236
0.00022753 0.00033159 -0.00028908
-0.01778962 0.00355267 0.00338239
3.93318046 -12.55137785 -12.93065458
-0.00003880 0.00019023 -0.00009713
0.01492095 0.00242039 0.00446915
1.12803730 -4.61945335 -1.04047833
0.00011290 0.00012818 0.00019447
0.00330827 -0.02874571 0.02108561
16.84702995 4.42812920 27.28508098
0.00034300 0.00011443 -0.00031392
-0.00952610 -0.03263859 0.02851356
-9.59293317 6.18150537 -4.49642714
0.00005800 -0.00051619 0.00012121
-0.00598881 0.03443313 -0.01531505
-5.09215534 14.91683657 -9.10946320
0.00029219 0.00004891 -0.00031333
0.00411063 -0.00050035 0.00040883
3.07027819 12.17678422 -6.82692354
-0.00018996 -0.00006543 0.00003019
-0.00118067 0.00570859 -0.00726813
-4.28128040 11.78584571 -13.77176983
0.00019573 0.00028540 -0.00000514
-0.04587072 0.03531612 0.01779882
3.81115657 7.19125170 17.42788450
0.00012895 0.00004464 -0.00008336
-0.01325145 0.01635925 0.01096348
-15.16795193 8.82229085 -9.06849665
-0.00037726 -0.00015867 -0.00014990
0.06032883 -0.00905517 0.02676537
3.73141042 9.20923109 0.39482263
-0.00001312 0.00038157 0.00051499
0.02170408 -0.00961218 -0.02190810
15.72439893 -24.00318341 -26.64224936
0.00025180 -0.00004994 -0.00018847
-0.01496823 0.00403330 -0.01005757
5.82974868 4.26471304 0.06514100
-0.00014959 -0.00026788 0.00020466
-0.01568325 -0.00130265 -0.01616710
17.02303168 -5.31696193 0.45201324
0.00029801 0.00014125 -0.00013023
0.00486437 0.00753191 -0.03250331
-4.55163618 2.55123480 -2.72782113
-0.00024261 -0.00008432 0.00041859
0.05881037 -0.00262074 -0.02717513
0.94378566 2.33610655 -11.88023252
-0.00018568 0.00014228 0.00015110
0.03545526 0.02961630 -0.07353615
15.61060334 9.01528639 -7.50012089
-0.00031908 -0.00014914 0.00015216
-0.03305746 0.00773530 0.01747163
-6.22000465 0.94743189 12.73052282
-0.00025680 -0.00010712 0.00011417
-0.00855396 0.00113732 -0.04128224
-3.45133025 -16.18020628 12.66640475
-0.00012097 0.00037629 0.00038799
0.00297202 -0.00859258 -0.00906280
7.00580704 -7.02546241 -5.95805745
0.00012759 0.00019622 -0.00033647
0.01359228 0.00659546 -0.04012850
-1.16253470 -11.52672610 1.65819143
0.00012315 -0.00003381 -0.00033701
-0.01133915 -0.00831406 0.00545328
-16.37432287 -1.78647740 5.10852746
0.00035430 0.00007365 0.00027639
0.02051677 0.00652724 0.02928837
-9.00919623 3.70379935 -21.83158653
-0.00030056 -0.00035060 -0.00035544
0.00004633 0.01277922 0.00268226
2.21066318 1.27682993 -1.30725470
0.00011528 -0.00001254 -0.00007245
-0.03901036 -0.01611101 -0.00134206
12.38315294 8.59199288 3.84502424
0.00025834 -0.00023182 0.00007878
0.00471891 0.04014626 -0.02599644
-7.33118768 -4.13810182 2.39104923
0.00029440 0.00044769 -0.00052911
0.02815378 -0.01117775 -0.03218345
-10.08366893 -2.84422052 2.40349710
-0.00051265 -0.00150309 -0.00076972
0.03379330 -0.01536161 0.00375555
-16.68054563 6.00950892 6.91729409
-0.00053051 -0.00086640 0.00004993
-0.01182697 -0.00979250 0.00120414
-17.00980882 3.72098865 5.27301465
-0.00005743 -0.00072013 -0.00069682
-0.00822263 -0.00129665 -0.00002694
-15.83867739 1.00231102 0.72420299
-0.00105287 -0.00006238 -0.00042390
-0.00607009 -0.04299756 -0.00924040
-17.00919808 -1.66203406 -0.24979097
0.00006321 -0.00039735 0.00038967
-0.06212761 -0.01675994 -0.04111982
1.79505939 -21.12578151 14.93712288
-0.00037696 0.00109964 0.00004182
0.02278910 0.01156509 0.00904159
3.83085802 -18.91562974 15.71247531
-0.00148113 0.00006911 -0.00018062
-0.00797229 0.01514526 -0.00026661
8.41367908 14.27983012 -1.29886478
-0.00020191 0.00008787 -0.00018173
-0.01099726 0.00936753 0.00801983
7.64595798 16.69082435 0.28195904
-0.00053704 -0.00037375 0.00099490
0.00308698 0.00237024 0.00489363
-8.55009691 9.11146190 12.35941862
0.00063200 0.00041865 0.00006734
0.00896520 0.00286719 0.01160510
-10.48561242 11.22245131 11.85472716
-0.00019441 -0.00049253 -0.00132255
0.00576524 -0.01639669 -0.00074888
-9.88725671 0.19086653 -14.23073241
-0.00038930 -0.00031236 -0.00120155
0.03612675 -0.01197655 0.00568116
-8.28562480 -2.18779825 -15.20582783
-0.00023300 -0.00050953 -0.00018357
0.00605178 0.03174871 0.01296668
-12.30219590 1.07965217 -6.93933426
-0.00040681 -0.00024196 -0.00057942
0.02585034 0.01559038 0.00230778
-10.53555513 3.51422123 -6.00574110
-0.00073064 -0.00014198 -0.00008880
-0.00696296 0.00411053 0.00735006
-1.96008546 -6.06076709 14.46500250
-0.00005295 0.00004794 0.00024462
0.02239709 -0.00373871 0.01119162
-0.26052865 -5.76510776 16.90753972
-0.00026885 0.00026085 0.00079580
-0.00280790 0.00146271 0.02207138
-24.83022360 -0.49796974 -19.10127108
-0.00038284 -0.00029838 0.00091479
0.01149585 0.00303728 0.01883424
-25.61189104 1.07825398 -21.43197923
0.00000751 -0.00005273 -0.00020464
-0.00246525 0.02364995 -0.01357283
9.52421104 8.76674746 6.62414328
-0.00029840 0.00022073 0.00051732
0.00048998 -0.02278621 0.01137279
10.10086264 7.63814001 9.25484395
0.00013279 0.00040275 -0.00020262
-0.00582530 0.00707911 -0.00796869
19.76676106 27.41380193 -4.11926231
0.00015941 0.00030661 -0.00013297
0.00368927 0.00825674 0.00090886
20.11437263 30.40938112 -4.32762554
0.00016947 -0.00015753 -0.00005065
-0.00914285 0.02244669 0.00907335
6.41306745 -0.35075290 -6.83548825
0.00017620 -0.00107271 -0.00029260
0.00357763 -0.02127148 -0.00560481
7.02568003 -3.24048329 -7.23674718
0.00067799 -0.00036578 -0.00000394
-0.01424480 -0.02131611 0.00181900
-8.55055258 -2.35959133 12.14613347
-0.00046721 -0.00025654 0.00063204
-0.02087463 -0.00485845 0.01024784
-11.03544343 -2.88640349 13.77958314
-0.00049101 -0.00070005 -0.00101482
-0.02381748 0.02076152 0.00442117
-1.49120399 -24.39024786 14.69514249
-0.00004938 -0.00000070 0.00123459
0.00951752 0.00357970 -0.00526562
-3.08281613 -22.30433416 13.44549720
-0.00002228 0.00061393 0.00042001
-0.00676454 0.00414863 0.00466880
-12.16759844 -7.71597247 -7.23598384
-0.00000742 0.00045177 0.00076474
-0.02909586 -0.00857227 0.01862353
-10.46022047 -7.32724650 -9.23323906
-0.00070170 -0.00145122 0.00079690
0.03030021 0.03894785 -0.03044631
-16.15390546 -10.33807097 -15.50963318
-0.00050922 -0.00094599 -0.00112773
0.00146067 -0.00936325 0.00152428
-14.24751893 -8.05509959 -16.15237471
0.00021193 0.00000141 -0.00014305
-0.00782178 -0.00494214 0.00319836
16.79151705 12.60993392 5.31522575
0.00057909 0.00024629 0.00029445
0.00534618 0.00291803 0.00879601
17.42693498 14.05049608 2.81345105
-0.00000593 0.00002023 -0.00043020
-0.01507448 -0.01384579 0.01001178
18.62526310 -4.04400173 -15.11181805
-0.00030669 -0.00093053 0.00044407
0.00694718 0.00380081 -0.00275512
21.60798925 -3.28285496 -15.41648848
-0.00046343 0.00001766 0.00011580
-0.03509612 -0.01652556 0.01208795
-1.82693825 7.26716081 -13.67749142
0.00067812 0.00018926 0.00037000
0.01544199 0.00869671 -0.01007476
0.14201006 6.69673880 -15.72551834
0.00033714 0.00028816 -0.00131622
-0.00907938 0.02255829 0.00847498
0.98349938 0.44002359 -15.45417176
-0.00034570 0.00027229 -0.00037621
-0.00419909 0.00124733 0.00574835
2.51338590 -1.05881368 -17.26532281
0.00044962 0.00009844 -0.00078759
0.02981044 -0.00762884 -0.00543234
12.06039334 22.78299201 -22.68323413
-0.00044133 -0.00156548 0.00046957
0.00379927 0.02602555 0.00900585
9.78446583 21.04537992 -23.15501404
-0.00023958 0.00085453 0.00023595
-0.00824392 -0.00031533 -0.00095560
-10.11243757 16.17822737 -16.98867692
0.00054549 -0.00029064 -0.00014362
0.02324779 0.01712309 -0.01325391
-10.79608877 14.87234018 -14.34187249
-0.00050699 0.00094752 -0.00065773
0.01470634 0.00110169 0.01542189
2.79561961 18.43037784 11.25593984
-0.00048616 0.00109869 0.00095550
-0.00544993 0.00117135 0.00025311
4.85820598 17.86135947 9.23246643
0.00065107 0.00021816 -0.00063657
-0.00766050 -0.00031858 0.01390833
-3.74587635 -10.33150322 -3.07970915
-0.00093373 0.00053311 0.00109677
0.01871028 -0.01593019 -0.02754650
-1.50725609 -11.10947197 -1.83479111
-0.00044890 -0.00045812 -0.00045177
0.02566158 -0.00851912 0.02342772
0.31402148 -6.81717627 4.75103787
-0.00039173 -0.00090576 -0.00023075
-0.00968403 0.00828738 0.01340088
2.99916763 -8.06245449 4.37148560
-0.00038878 -0.00096283 0.00023576
-0.03535326 0.00223265 -0.00837146
8.63531985 2.06524341 9.66601038
-0.00158223 -0.00006367 -0.00061682
0.01056228 -0.00528380 -0.01341509
9.51893712 3.47399429 7.28098213
0.00031244 0.00072823 -0.00014726
0.00219683 -0.00653713 0.00689815
-7.89533453 -9.01434882 -4.44788736
-0.00040064 0.00013047 0.00082323
0.00680990 0.00868846 -0.01203069
-8.35106421 -10.15387252 -2.02537290
-0.00029651 -0.00020320 0.00022751
0.00411734 -0.00584028 0.01300729
4.98742849 -13.72528365 -11.95652278
-0.00039650 0.00079696 -0.00011493
-0.01052962 0.00668260 -0.00894126
2.32752601 -13.26781403 -13.40218320
0.00031372 0.00049161 -0.00114832
-0.00837068 -0.00573156 0.00077955
1.33032170 -6.16276139 0.07071399
0.00023924 -0.00044448 0.00035711
-0.00300006 0.02879603 -0.01993963
-0.13036500 -3.65673136 -0.13122562
-0.00001004 0.00048992 -0.00038387
-0.00262824 -0.00113968 -0.00192075
17.52975558 3.58197130 25.81264806
-0.00010177 -0.00021657 0.00008217
-0.00458073 0.00082726 0.00817957
16.29410204 3.02017261 28.48858055
0.00072522 0.00060070 0.00017734
0.01255094 0.02973504 -0.03397036
-10.97696337 7.37741290 -4.15007582
0.00004207 0.00077428 -0.00003859
0.00365210 -0.01129673 0.00870867
-8.57874924 7.30656495 -5.67673074
-0.00023114 0.00027726 0.00007469
-0.00041627 -0.01584759 0.01830253
-6.40874133 16.19957065 -9.22117633
0.00003444 -0.00027790 0.00035056
0.00524572 -0.00848212 -0.00284096
-4.73938246 14.16443454 -10.76712383
-0.00004065 0.00013695 -0.00036094
-0.00482276 0.00743322 0.00509509
2.96555517 10.49672912 -6.09422839
-0.00023201 0.00101687 0.00049908
-0.00331699 0.00550438 0.00096415
1.50811990 13.15183027 -6.66035252
0.00039328 -0.00033804 -0.00081796
0.00425907 -0.00739423 0.00120322
-2.82245128 10.96657937 -14.24724768
0.00010657 -0.00023195 0.00018925
0.04786040 -0.02559693 -0.01567877
-5.52728474 10.50020732 -13.52819496
0.00097511 -0.00014700 0.00027208
-0.00814436 -0.00730770 0.00467121
3.95086918 7.99447908 19.13088144
0.00065026 -0.00016589 -0.00031109
0.00327287 -0.01049528 -0.01311175
1.94787973 7.13297629 17.24689816
0.00053036 0.00031577 0.00012373
0.00327795 -0.00993519 0.00242602
-13.36018357 8.64448574 -8.39008904
-0.00020161 0.00010114 -0.00049131
-0.03682985 0.00879996 -0.03139882
-15.97058315 8.16502265 -7.58374310
-0.00057837 0.00037649 0.00007498
-0.02231021 -0.00237156 0.01067283
5.33178617 10.25112144 0.29956730
-0.00060692 -0.00069509 -0.00087978
-0.02758558 -0.01169759 0.01680047
2.38754263 9.36497915 1.62882159
0.00009943 0.00015842 -0.00130785
0.00878683 0.01395051 -0.00291941
14.28581480 -24.02092862 -25.45802566
0.00017876 0.00054043 -0.00002058
-0.00032633 -0.00013489 -0.01040177
14.96169811 -23.59137392 -28.31906946
0.00022736 -0.00100449 0.00051895
0.00949027 -0.00828101 0.02574066
4.71825776 3.32763326 -1.12819433
-0.00049186 0.00058169 0.00064898
0.01018701 0.00985852 0.01801029
4.82189029 5.84289297 0.20141249
-0.00034211 -0.00007774 0.00012085
0.01545710 -0.00556336 0.00943176
16.91558247 -3.71021047 -0.51657233
0.00011644 0.00071741 0.00012273
0.01081950 -0.02158501 0.01224118
16.76253393 -6.65258829 -0.82733323
-0.00044342 -0.00073428 -0.00031948
-0.00559951 0.01171876 0.00889186
-5.81846413 3.06942349 -1.68476471
-0.00082984 -0.00126454 -0.00050472
-0.05319421 0.02681570 0.03863970
-5.12268364 0.93274228 -3.34211577
-0.00069884 -0.00027487 -0.00097034
-0.00218024 -0.01445562 -0.01216655
2.54181704 2.91350900 -11.26421869
0.00085779 0.00039092 -0.00020569
-0.00231890 -0.00267840 0.00499817
-0.10927188 1.69884351 -10.69415683
-0.00059718 0.00012455 0.00013117
-0.03026542 -0.02984691 0.05525246
16.67873804 7.65710212 -8.11514285
0.00054481 -0.00028962 0.00088559
0.03169307 0.00609674 -0.00640305
16.32138531 10.68042214 -7.25788617
-0.00089999 -0.00038481 0.00044214
0.00963800 -0.01087324 -0.00510087
-6.46829965 0.41605066 10.89871997
-0.00030223 -0.00025958 0.00049168
0.00329477 0.00874685 0.02560453
-7.81972750 1.83126309 13.09336230
-0.00093600 0.00092862 0.00105513
0.00004484 -0.00729060 0.01027164
-2.15778280 -16.49859410 13.93571199
0.00039951 -0.00178256 0.00021460
0.00006423 0.01146410 0.00698023
-4.33522121 -17.76665418 12.60621590
-0.00120502 -0.00088807 0.00008649
-0.00433860 -0.01129757 -0.00589500
7.14653006 -6.39573155 -4.26622635
-0.00043397 0.00029439 -0.00036745
-0.00932453 0.00275405 0.01805546
5.61114815 -8.21072475 -6.18147045
-0.00046932 0.00034099 -0.00072579
-0.00485606 0.00061821 0.01492391
-2.87715837 -11.63695421 2.38843097
0.00004611 0.00036454 -0.00033323
0.01549910 0.00197512 -0.00450607
-0.20698222 -10.34707597 2.78559949
0.00027389 0.00025679 -0.00040881
-0.01205701 -0.00319681 -0.01104677
-14.84533061 -0.91707956 5.76793599
0.00025576 -0.00036258 -0.00072845
-0.02332160 -0.00948264 -0.00244630
-16.10214332 -1.74267905 3.27639139
0.00041108 -0.00030850 0.00110519
0.00373973 0.00067936 -0.00591902
-9.59280129 4.90092079 -23.10997682
0.00011559 -0.00024853 -0.00006936
0.00341519 -0.00446731 0.00089800
-9.00100430 4.71701259 -20.28387503
-0.00001635 -0.00090428 -0.00125917
0.00056514 -0.00360229 -0.00388262
1.89469407 1.41899536 -3.12367131
-0.00058631 -0.00064885 0.00124313
0.00162996 -0.00588583 0.00843915
0.64846835 0.53676069 -0.53634012
-0.00075162 -0.00081666 -0.00057518
0.02554955 0.01502146 -0.01433303
13.82789482 9.80365150 3.87898103
-0.00007554 -0.00070738 -0.00097252
-0.01499739 -0.01945671 0.00271893
11.36277887 9.49715586 2.50274711
-0.00007696 -0.00009560 -0.00045868
0.00812513 -0.02049166 0.01594093
5.46483117 -9.07304714 -10.63227492
-0.00006772 -0.00026154 0.00013724
-0.00236384 0.00234746 -0.00136739
-13.03008474 10.43154021 21.16803863
-0.00000824 -0.00003707 0.00014000
0.00912241 0.00137774 -0.00249617
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06781487
0.31618400
421.29932995
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1859816117
ExchangeOperator: bisection time: 2.055 s
total exchange = -52.3746235683 (a.u.)
total exchange computation time: 3.3104009628 s
-154.1373540788
-931.38288360
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1859816117
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3744264475 (a.u.)
total exchange computation time: 3.3113889694 s
-154.1402140534
Anderson extrapolation: theta=1.3420183123 (1.3420183123)
-931.38313654
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1859816117
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3740651187 (a.u.)
total exchange computation time: 3.3122680187 s
-154.1447344682
Anderson extrapolation: theta=0.0505828061 (0.0505828061)
-931.38328780
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1859816117
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3739673636 (a.u.)
total exchange computation time: 3.3117549419 s
-154.1455646898
Anderson extrapolation: theta=1.8940651930 (1.8940651930)
-931.38329345
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1859816117
ExchangeOperator: bisection time: 2.055 s
total exchange = -52.3737539167 (a.u.)
total exchange computation time: 3.3151831627 s
-154.1472811174
Anderson extrapolation: theta=0.2125120889 (0.2125120889)
-931.38329926
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1859816117
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3736977032 (a.u.)
total exchange computation time: 3.3116168976 s
-154.1476588978
Anderson extrapolation: theta=1.8841482807 (1.8841482807)
-931.38330035
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1859816117
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3736080733 (a.u.)
total exchange computation time: 3.3127701283 s
-154.1481881576
Anderson extrapolation: theta=0.2772683542 (0.2772683542)
-931.38330175
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1859816117
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3736006609 (a.u.)
total exchange computation time: 3.3114581108 s
-154.1481578351
Anderson extrapolation: theta=1.3234930952 (1.3234930952)
-931.38330209
238.450090 -12.073475 245.476637
-141.661782 489.774000 -804.498538
96.788307 477.700525 -559.021901
741.667886
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1859816117
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3736044422 (a.u.)
total exchange computation time: 3.3132579327 s
678.97645271
-1083.61554593
89.65143331
-389.20500221
-174.81703580
78.22594625
551.60419304
0.00000000
-931.38330237
-8.76963816 -3.83456053 3.36930945
-0.00003636 -0.00029581 0.00058331
-0.06215186 0.02718761 0.03078985
-17.89290250 4.61514780 6.60074122
0.00015365 -0.00020026 -0.00011702
0.01728190 0.00627886 -0.00743774
-15.67474570 -0.95303755 0.56084624
0.00023554 0.00016240 -0.00006193
0.06650450 0.06292460 0.02873205
3.47472509 -20.68401775 15.69488601
-0.00025642 -0.00006869 -0.00019457
-0.01862095 -0.02173198 -0.00740244
7.42929608 15.89398949 -1.32290883
0.00026321 0.00013105 -0.00018531
0.01000334 -0.00903967 0.00750890
-9.75952023 9.66480627 11.11999755
-0.00017915 -0.00009186 0.00015028
-0.01787438 0.00062468 -0.02443894
-8.09805901 -0.61176412 -14.13249064
-0.00029064 0.00034468 -0.00017153
-0.03799994 -0.01806940 -0.02213901
-10.81881232 2.20197847 -7.24396536
-0.00002390 0.00035993 0.00057140
-0.01457824 -0.02628982 -0.02120546
-0.19694813 -5.74506621 15.11758293
-0.00012858 -0.00002508 0.00015303
-0.02508266 -0.00086080 -0.02181720
-25.37955863 -0.56961850 -20.80095328
-0.00045380 -0.00018571 0.00006591
0.00136629 -0.02570525 -0.00446561
8.87668967 7.50635850 7.85449912
-0.00005803 0.00001607 -0.00002682
0.01024282 0.00799191 -0.00615318
20.75605324 28.79704583 -4.86832300
-0.00001992 -0.00002226 -0.00022470
0.01359970 -0.04615428 -0.01284855
7.75569947 -1.60440607 -7.19280091
-0.00008787 0.00020854 -0.00004237
0.01008697 0.03044352 0.00097206
-9.47057293 -3.54354262 13.23888790
0.00043181 0.00017764 0.00043273
0.03693732 -0.02066520 -0.01539334
-1.35784178 -22.74495607 13.86817588
0.00023380 -0.00003597 0.00006624
-0.00043410 -0.00771063 0.00908038
-11.08205206 -8.67975385 -8.33098870
0.00010728 0.00004514 0.00013016
-0.01513128 -0.03497328 0.02812385
-15.95839808 -8.53758127 -15.55333513
0.00018534 0.00006982 0.00011254
-0.00148340 0.00572410 -0.00385547
16.49252943 12.59938439 3.51924192
0.00040901 0.00025826 0.00011062
0.00699775 0.00971758 -0.01504441
20.31035667 -4.59848212 -14.72406929
-0.00029648 0.00014757 -0.00005217
0.03068817 0.00935023 -0.01048151
-0.63983434 8.16212685 -14.83242958
0.00034070 0.00001994 -0.00011965
-0.00376764 -0.03996336 0.00406715
0.80825207 -0.86508855 -16.73552747
-0.00026792 0.00025555 -0.00027235
-0.01962643 0.00971967 0.00607477
11.61172416 21.09538940 -23.10134483
0.00053306 -0.00010909 -0.00015751
-0.00328110 -0.03689788 -0.00730567
-11.26002084 15.18901188 -16.03214508
0.00001261 0.00016635 -0.00038431
-0.03863337 -0.02103496 -0.00574535
4.33319508 17.50923338 10.97242723
0.00036025 0.00016715 -0.00037376
0.00516258 0.00244508 -0.01682907
-2.05491588 -11.11290615 -3.55968479
-0.00002191 -0.00012166 -0.00012990
-0.05005543 0.03510447 0.00718019
1.18496238 -8.00353239 3.70238192
0.00003815 -0.00032976 0.00011351
0.05677857 0.00064110 0.00642028
9.59815838 1.80542207 8.10296950
0.00011136 0.00019726 0.00028259
-0.01407164 0.01770455 0.00237165
-6.93380356 -9.45586346 -2.97322547
0.00021771 0.00033245 -0.00028536
-0.02039752 -0.00019812 0.01109149
3.93265604 -12.54851513 -12.93209432
-0.00003152 0.00019241 -0.00009540
0.01339904 0.00609039 0.00228198
1.12974352 -4.61764153 -1.03748000
0.00011481 0.00011286 0.00020548
0.00413525 -0.03081731 0.02176407
16.85213818 4.42971971 27.28048218
0.00033799 0.00009819 -0.00029888
-0.00994558 -0.03049517 0.02995207
-9.59208631 6.17389531 -4.49466806
0.00005411 -0.00049704 0.00011336
-0.00911888 0.04005168 -0.01521238
-5.08775663 14.91756833 -9.11416162
0.00029440 0.00004858 -0.00031293
0.00446618 -0.00077412 0.00116092
3.06742426 12.17582476 -6.82649869
-0.00018935 -0.00006178 0.00002575
0.00352909 0.00848513 -0.01000773
-4.27852138 11.79026289 -13.77177835
0.00017300 0.00030328 0.00000373
-0.04251877 0.03423622 0.01672113
3.81303977 7.19198440 17.42667637
0.00012283 0.00005291 -0.00007795
-0.01057638 0.01580721 0.01008459
-15.17337810 8.81987593 -9.07064191
-0.00034648 -0.00016329 -0.00013610
0.05935022 -0.00890546 0.02691943
3.73129727 9.21491753 0.40246294
-0.00000124 0.00037519 0.00050171
0.02452003 -0.01517605 -0.02970776
15.72811820 -24.00391694 -26.64511526
0.00024438 -0.00004812 -0.00019222
-0.01387113 0.00303940 -0.00449448
5.82744434 4.26068978 0.06814861
-0.00015759 -0.00026761 0.00019689
-0.01543118 0.00236613 -0.01407804
17.02752060 -5.31481419 0.44993437
0.00030020 0.00014458 -0.00014781
0.00365408 0.00541791 -0.03585909
-4.55504846 2.54995983 -2.72164714
-0.00021219 -0.00008730 0.00040365
0.05946792 -0.00894612 -0.03093084
0.94113720 2.33835499 -11.87824970
-0.00016661 0.00015769 0.00011445
0.03869555 0.03031600 -0.06899349
15.60568961 9.01307908 -7.49777106
-0.00033603 -0.00014633 0.00016072
-0.03285228 0.00320691 0.01581515
-6.22388968 0.94582953 12.73207609
-0.00026258 -0.00010539 0.00009400
-0.01391121 0.00557173 -0.03715394
-3.45313336 -16.17459501 12.67218961
-0.00012016 0.00036874 0.00038403
0.00019199 -0.02077385 -0.00633809
7.00777331 -7.02249365 -5.96325933
0.00013403 0.00019920 -0.00035708
0.01143842 0.00497681 -0.04002352
-1.16073111 -11.52726534 1.65315726
0.00011741 -0.00003792 -0.00033406
-0.01099739 -0.00767583 0.00601342
-16.36892917 -1.78534741 5.11278625
0.00036392 0.00007652 0.00029202
0.01686852 0.00463329 0.03151702
-9.01370443 3.69858966 -21.83690776
-0.00030044 -0.00034524 -0.00035527
0.00042868 0.00807081 -0.00204134
2.21224191 1.27657963 -1.30834664
0.00009426 -0.00002162 -0.00007063
-0.04273504 -0.01918465 0.00841488
12.38704624 8.58867042 3.84610570
0.00025959 -0.00021140 0.00006468
0.00012695 0.03927206 -0.02882742
-7.32590891 -4.13172901 2.38212635
0.00039816 0.00040349 -0.00065107
0.02263395 -0.01045685 -0.02751788
-10.09032312 -2.86723764 2.39206637
-0.00037314 -0.00156639 -0.00075027
0.03449905 -0.01562406 0.00576696
-16.68886571 5.99621290 6.91808000
-0.00057032 -0.00089767 0.00005603
-0.00765971 -0.00551688 0.00177904
-17.01092220 3.71014692 5.26256149
-0.00009448 -0.00072004 -0.00069012
-0.00991602 0.00134242 0.00330632
-15.85465646 1.00005774 0.71756138
-0.00107582 -0.00023640 -0.00046052
-0.00516184 -0.04218834 -0.00868928
-17.01015365 -1.66850793 -0.24520591
-0.00018522 -0.00046463 0.00022531
-0.05948398 -0.01617128 -0.03933741
1.79010330 -21.10893247 14.93802723
-0.00028657 0.00114295 0.00007776
0.02145886 0.00963198 0.00855003
3.80839674 -18.91412893 15.70975781
-0.00151094 0.00013184 -0.00018046
-0.00662022 0.01556010 0.00034677
8.41031340 14.28143524 -1.30134496
-0.00024526 0.00012399 -0.00014890
-0.01022159 0.00831316 0.00805036
7.63799695 16.68529074 0.29703256
-0.00052604 -0.00036977 0.00100368
0.00229839 -0.00042376 -0.00059578
-8.54034219 9.11782951 12.36078430
0.00066501 0.00043233 0.00011230
0.00719252 0.00383160 0.01040302
-10.48835185 11.21456085 11.83486601
-0.00017441 -0.00055041 -0.00132030
0.00402382 -0.01193228 0.00184643
-9.89198920 0.18581418 -14.24858151
-0.00024228 -0.00035958 -0.00117636
0.03584036 -0.01114168 0.00664814
-8.28893439 -2.19446833 -15.20818399
-0.00020697 -0.00037389 -0.00012697
0.00669297 0.03464823 0.01473859
-12.30750592 1.07650050 -6.94795486
-0.00029725 -0.00017495 -0.00056991
0.02777821 0.01721112 0.00234697
-10.54672813 3.51221753 -6.00684788
-0.00075768 -0.00011589 -0.00004939
-0.00627353 0.00866018 0.01194230
-1.96019336 -6.06016259 14.46901475
0.00003679 0.00003233 0.00028944
0.02153068 -0.00390080 0.01074975
-0.26464747 -5.76115016 16.92015309
-0.00027968 0.00026658 0.00087408
-0.00249335 0.00134014 0.01624476
-24.83561389 -0.50235238 -19.08697204
-0.00034033 -0.00028599 0.00097696
0.00931382 0.00302798 0.01159663
-25.61185398 1.07818770 -21.43546481
-0.00000203 0.00004099 -0.00025853
-0.00220239 0.02222548 -0.01280680
9.51974998 8.76936020 6.63225162
-0.00029556 0.00013045 0.00055991
0.00090402 -0.02140692 0.00947319
10.10267604 7.64439817 9.25156043
0.00010879 0.00043056 -0.00023440
-0.00592558 0.00653411 -0.00758632
19.76926526 27.41865412 -4.12122894
0.00017222 0.00033722 -0.00012743
0.00258344 0.00672560 0.00180049
20.11663448 30.40770608 -4.32810727
0.00013145 -0.00006430 -0.00001351
-0.00946844 0.02318695 0.00910727
6.41582010 -0.36749534 -6.84004906
0.00018065 -0.00114916 -0.00031266
-0.00140189 -0.01615488 -0.00421401
7.03541340 -3.24662312 -7.23675059
0.00062189 -0.00044897 0.00000358
-0.01321747 -0.01941020 0.00186602
-8.55820045 -2.36358826 12.15592813
-0.00054584 -0.00026859 0.00066634
-0.01761465 -0.00104241 0.00654320
-11.04353838 -2.89626808 13.76449625
-0.00058647 -0.00061669 -0.00099783
-0.02291038 0.02004341 0.00389932
-1.49165306 -24.39014862 14.71349995
-0.00001053 0.00002025 0.00120921
0.00949995 0.00667277 -0.00715469
-3.08335763 -22.29499807 13.45194043
-0.00004583 0.00062874 0.00044026
-0.00476518 0.00310171 0.00524302
-12.16860135 -7.70945853 -7.22394212
-0.00011977 0.00041072 0.00083396
-0.02589992 -0.01152318 0.01526357
-10.46981743 -7.34782125 -9.22221852
-0.00056416 -0.00126414 0.00065239
0.03702594 0.05262804 -0.04029299
-16.16149900 -10.35254774 -15.52650245
-0.00050089 -0.00096689 -0.00112124
0.00261795 -0.00086735 0.00165374
-14.24457972 -8.05522992 -16.15442241
0.00017929 -0.00001939 -0.00013003
-0.00815565 -0.00523834 0.00317472
16.80036726 12.61371764 5.31991204
0.00060051 0.00025845 0.00032684
0.00513962 0.00303806 0.00705861
17.42638407 14.05037531 2.80730477
-0.00006574 -0.00003377 -0.00038928
-0.01420038 -0.01259047 0.01002219
18.62087557 -4.05784325 -15.10524139
-0.00028432 -0.00091206 0.00043100
0.00400523 0.00523987 -0.00364157
21.59996231 -3.28309642 -15.41438101
-0.00060606 -0.00004817 0.00016404
-0.03472093 -0.01570215 0.01152580
-1.81629333 7.27026617 -13.67225021
0.00074174 0.00022323 0.00032812
0.01570160 0.00793421 -0.01042303
0.14678899 6.70175247 -15.74500196
0.00029716 0.00038259 -0.00127803
-0.01049218 0.02366642 0.01021843
0.97818516 0.44414613 -15.45963878
-0.00036197 0.00027782 -0.00035234
-0.00376244 0.00145846 0.00593435
2.52104373 -1.05757090 -17.27730317
0.00055627 0.00006968 -0.00080413
0.02239525 -0.00644542 -0.00266250
12.05388978 22.76030725 -22.67591467
-0.00041714 -0.00143570 0.00051226
0.00804445 0.03750564 0.01189261
9.78061957 21.05818818 -23.15150406
-0.00026266 0.00085106 0.00023190
-0.00305544 -0.00138105 -0.00102793
-10.10354286 16.17439250 -16.99123740
0.00063993 -0.00022091 -0.00019830
0.02298041 0.01701033 -0.01351036
-10.80324291 14.88658674 -14.35126584
-0.00044504 0.00095016 -0.00058523
0.01561676 0.00019039 0.02006544
2.78816016 18.44689414 11.27028016
-0.00048872 0.00109238 0.00095083
0.00419733 -0.00426156 -0.00254003
4.86773725 17.86462210 9.22334402
0.00061658 0.00021712 -0.00057558
-0.00921959 -0.00019175 0.01594986
-3.75930900 -10.32399469 -3.06410177
-0.00084656 0.00046265 0.00097917
0.02396138 -0.01856265 -0.03001968
-1.51320329 -11.11660476 -1.84084983
-0.00034117 -0.00049324 -0.00035017
0.02707611 -0.00867557 0.02631036
0.30784874 -6.83050875 4.74798722
-0.00043329 -0.00086799 -0.00017236
-0.01065845 0.01020166 0.01518193
2.99225255 -8.07682851 4.37476550
-0.00052973 -0.00095253 0.00020322
-0.03364011 0.00280859 -0.00755574
8.61191000 2.06412650 9.65634695
-0.00153790 -0.00008507 -0.00067225
0.01114016 -0.00519382 -0.01371438
9.52369099 3.48471736 7.27898468
0.00032153 0.00069395 -0.00011478
0.00225468 -0.01024230 0.00899912
-7.90113551 -9.01212548 -4.43590760
-0.00037737 0.00016924 0.00076452
0.00458195 0.01028690 -0.01670653
-8.35538573 -10.15709946 -2.02156166
-0.00026961 -0.00022283 0.00027498
0.00905071 -0.00376842 0.01023006
4.98115830 -13.71312446 -11.95852070
-0.00043489 0.00081775 -0.00014712
-0.00825976 0.00349172 -0.00681798
2.33197534 -13.26061549 -13.41938404
0.00027773 0.00046663 -0.00114499
-0.00924564 -0.00649617 0.00084649
1.33381833 -6.16854618 0.07545968
0.00022523 -0.00032137 0.00027318
-0.00385684 0.03146616 -0.02114442
-0.13059613 -3.64941750 -0.13704251
-0.00002083 0.00048398 -0.00039058
-0.00265119 -0.00176949 -0.00136467
17.52808863 3.57874804 25.81413132
-0.00011842 -0.00021547 0.00011106
-0.00356927 -0.00028676 0.00596087
16.30536496 3.03009430 28.49019964
0.00077526 0.00072013 0.00004002
0.01194120 0.02872458 -0.03324486
-10.97622039 7.38868100 -4.15038782
0.00006346 0.00072028 -0.00000379
0.00681668 -0.01513918 0.00832500
-8.58222914 7.31023829 -5.67504960
-0.00023269 0.00020942 0.00015030
-0.00034304 -0.01736476 0.01870924
-6.40806396 16.19514226 -9.21600500
0.00005477 -0.00031156 0.00033827
0.00470667 -0.00799613 -0.00317429
-4.74013997 14.16671663 -10.77238174
-0.00006023 0.00016707 -0.00034079
-0.00476038 0.00731073 0.00476785
2.96197338 10.51215084 -6.08671258
-0.00024621 0.00102846 0.00050740
-0.00363516 0.00017086 0.00310734
1.51414965 13.14653310 -6.67258501
0.00040148 -0.00036230 -0.00081160
-0.00024622 -0.00448008 0.00191081
-2.81938613 10.96231573 -14.24488943
0.00029905 -0.00033312 0.00012633
0.04635761 -0.02392742 -0.01511869
-5.51290770 10.49777841 -13.52397055
0.00093830 -0.00017809 0.00029179
-0.00987126 -0.00791249 0.00497561
3.96072342 7.99166905 19.12581325
0.00066355 -0.00020759 -0.00036212
0.00323127 -0.00991516 -0.01186621
1.95593556 7.13740845 17.24882845
0.00053846 0.00027510 0.00013293
0.00068771 -0.00997554 0.00207940
-13.36433636 8.64627255 -8.39842092
-0.00035194 0.00013632 -0.00061845
-0.03675687 0.00841689 -0.03083679
-15.97994243 8.17059733 -7.58229128
-0.00066751 0.00036729 0.00011707
-0.02132084 -0.00213307 0.00992999
5.32183699 10.24033660 0.28688537
-0.00071068 -0.00073474 -0.00080943
-0.02320170 -0.00771127 0.01763762
2.38930340 9.36778288 1.60911432
0.00012067 0.00021879 -0.00130521
0.00160969 0.01560482 0.00421567
14.28848619 -24.01282626 -25.45865313
0.00017905 0.00053937 -0.00006367
0.00046711 -0.00038560 -0.01068952
14.96539938 -23.60669500 -28.31049638
0.00026193 -0.00103557 0.00061317
0.00743178 -0.00693445 0.02038122
4.71119198 3.33666076 -1.11790773
-0.00045331 0.00061692 0.00071719
0.00868270 0.00738538 0.01537779
4.81723224 5.84155645 0.20351421
-0.00027660 -0.00010227 0.00016013
0.01661124 -0.00644776 0.00979817
16.91766067 -3.70011074 -0.51435624
0.00016104 0.00062469 0.00017339
0.01101062 -0.02380076 0.01255553
16.75571102 -6.66324339 -0.83185295
-0.00046480 -0.00067711 -0.00027698
-0.00486287 0.01626480 0.01191316
-5.83254175 3.05127716 -1.69115152
-0.00105303 -0.00115240 -0.00034239
-0.05606068 0.02807812 0.04082283
-5.13323304 0.92817627 -3.35704366
-0.00070276 -0.00032394 -0.00101655
0.00026077 -0.00956647 -0.01045347
2.55461279 2.91929071 -11.26715084
0.00083484 0.00037488 -0.00018889
-0.00891476 -0.00517048 0.00322341
-0.11915707 1.69979715 -10.69049611
-0.00071382 0.00000629 0.00035113
-0.02683009 -0.02804249 0.05241646
16.68788138 7.65294471 -8.10205524
0.00067122 -0.00026143 0.00086109
0.03018268 0.00770000 -0.00558834
16.30818081 10.67431686 -7.25141032
-0.00085779 -0.00042299 0.00042269
0.01101688 -0.00781762 -0.00442270
-6.47273213 0.41242495 10.90687977
-0.00029044 -0.00022386 0.00059274
0.00247853 0.00874022 0.02386676
-7.83376610 1.84496904 13.10950407
-0.00092330 0.00089021 0.00109270
0.00617326 -0.01151313 0.00811488
-2.15178822 -16.52498127 13.93914482
0.00039357 -0.00173253 0.00023685
-0.00296931 0.01302637 0.00391188
-4.35342953 -17.78032135 12.60733254
-0.00121146 -0.00091241 0.00006266
0.00119069 -0.00061730 -0.00576921
7.13973483 -6.39123132 -4.27118483
-0.00047208 0.00030563 -0.00029361
-0.00933299 0.00274780 0.01809126
5.60395955 -8.20559099 -6.19189992
-0.00048486 0.00034684 -0.00066408
-0.00275088 0.00224650 0.01528378
-2.87599174 -11.63142552 2.38329439
0.00010951 0.00037239 -0.00035154
0.01553244 0.00186470 -0.00445568
-0.20324336 -10.34332210 2.77912887
0.00022360 0.00024223 -0.00045499
-0.01255983 -0.00392954 -0.01156214
-14.84220893 -0.92280876 5.75693425
0.00016772 -0.00039675 -0.00073328
-0.01977351 -0.00724514 0.00008027
-16.09586256 -1.74728577 3.29278780
0.00042644 -0.00030630 0.00107057
0.00377974 0.00039799 -0.01102650
-9.59096285 4.89705589 -23.11098963
0.00012815 -0.00026486 -0.00006922
0.00273582 -0.00352283 -0.00082934
-9.00123221 4.70333803 -20.30288162
-0.00001367 -0.00091111 -0.00126136
0.00074529 0.00025890 0.00281502
1.88594932 1.40908227 -3.10476577
-0.00058061 -0.00067037 0.00125883
0.00116156 -0.00464660 -0.00075572
0.63797692 0.52497102 -0.54540703
-0.00063915 -0.00075143 -0.00063437
0.02950466 0.01691234 -0.01464124
13.82630222 9.79244458 3.86447657
-0.00012997 -0.00078177 -0.00095987
-0.01164956 -0.01695691 0.00347470
11.36187350 9.49509389 2.49635540
-0.00004115 -0.00018244 -0.00038899
0.00940230 -0.02201409 0.01817434
5.46380907 -9.07696395 -10.63021998
-0.00006854 -0.00026067 0.00013669
-0.00225264 0.00250797 -0.00173149
-13.03019242 10.43098656 21.17013433
-0.00000610 -0.00003675 0.00013941
0.00927666 0.00135942 -0.00265210
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06791111
0.31539125
420.24303165
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1852893456
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3746720676 (a.u.)
total exchange computation time: 3.2901329994 s
-154.1418055819
-931.38186089
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1852893456
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3745048785 (a.u.)
total exchange computation time: 3.2899789810 s
-154.1445206987
Anderson extrapolation: theta=1.3423109320 (1.3423109320)
-931.38211341
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1852893456
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3741949861 (a.u.)
total exchange computation time: 3.2899179459 s
-154.1487965476
Anderson extrapolation: theta=0.0510559283 (0.0510559283)
-931.38226474
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1852893456
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.3741089338 (a.u.)
total exchange computation time: 3.2892029285 s
-154.1495728896
Anderson extrapolation: theta=1.9132137670 (1.9132137670)
-931.38227053
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1852893456
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.3739208216 (a.u.)
total exchange computation time: 3.2932589054 s
-154.1511752867
Anderson extrapolation: theta=0.2153592421 (0.2153592421)
-931.38227665
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1852893456
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3738728900 (a.u.)
total exchange computation time: 3.2883908749 s
-154.1515131059
Anderson extrapolation: theta=1.8773783900 (1.8773783900)
-931.38227783
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1852893456
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3737998508 (a.u.)
total exchange computation time: 3.2946999073 s
-154.1519588017
Anderson extrapolation: theta=0.2752066935 (0.2752066935)
-931.38227937
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1852893456
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.3737971302 (a.u.)
total exchange computation time: 3.2894649506 s
-154.1519028164
Anderson extrapolation: theta=1.3132571543 (1.3132571543)
-931.38227975
238.380790 -12.196685 245.500826
-141.715621 489.749080 -804.537948
96.665169 477.552394 -559.037122
741.567898
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1852893456
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3738063398 (a.u.)
total exchange computation time: 3.2899918556 s
678.97671887
-1083.62268246
89.65534220
-389.20016155
-174.81769078
78.23148468
551.60419304
0.00000000
-931.38228006
-8.77042335 -3.83889287 3.37817787
-0.00006654 -0.00028207 0.00059723
-0.05521456 0.02626753 0.02332561
-17.89053114 4.61216807 6.59895717
0.00016174 -0.00019888 -0.00012183
0.01418100 -0.00088193 -0.01124124
-15.67095613 -0.95035879 0.56002818
0.00026818 0.00019372 -0.00004814
0.06043836 0.05887548 0.02486405
3.47080700 -20.68513190 15.69193887
-0.00026577 -0.00007931 -0.00019836
-0.01775705 -0.01957970 -0.00731339
7.43328284 15.89592030 -1.32565951
0.00026829 0.00012742 -0.00018011
0.00974877 -0.00505106 0.01269462
-9.76227642 9.66343081 11.12215747
-0.00018729 -0.00009313 0.00013744
-0.01376751 -0.00556704 -0.02550194
-8.10256520 -0.60666355 -14.13514903
-0.00031000 0.00033451 -0.00018341
-0.03727805 -0.02147933 -0.02406590
-10.81922710 2.20727606 -7.23547620
-0.00003182 0.00034490 0.00055923
-0.01620862 -0.03217471 -0.02609551
-0.19897360 -5.74544577 15.11979429
-0.00014116 -0.00002544 0.00014358
-0.02382035 -0.00051556 -0.01494178
-25.38636039 -0.57250334 -20.79998187
-0.00045264 -0.00019831 0.00006516
0.00315804 -0.02328041 0.00155309
8.87585867 7.50663033 7.85407315
-0.00005291 0.00001983 -0.00002953
0.00969626 0.00663545 -0.00438822
20.75580684 28.79653392 -4.87174308
-0.00001262 -0.00004555 -0.00023142
0.01480921 -0.04440026 -0.01325974
7.75442031 -1.60116047 -7.19343276
-0.00008161 0.00022207 -0.00004228
0.01424869 0.02214118 -0.00062588
-9.46395331 -3.54095773 13.24531953
0.00044931 0.00016630 0.00042613
0.03113466 -0.02344895 -0.01027362
-1.35433639 -22.74552530 13.86920445
0.00023291 -0.00004036 0.00007116
-0.00305725 -0.00936533 0.01005506
-11.08050119 -8.67921164 -8.32892776
0.00009714 0.00002479 0.00014775
-0.02431975 -0.04417312 0.04025217
-15.95562378 -8.53651195 -15.55166191
0.00018431 0.00007071 0.00011055
-0.00251087 -0.00225730 -0.00387927
16.49869157 12.60329572 3.52084323
0.00041238 0.00026277 0.00010343
0.00609608 0.00785178 -0.01290640
20.30602792 -4.59623245 -14.72489222
-0.00028016 0.00015168 -0.00005716
0.03275487 0.00661986 -0.00893293
-0.63473835 8.16227178 -14.83420866
0.00033905 -0.00000048 -0.00011791
-0.00265463 -0.03943772 0.00269298
0.80415755 -0.86121786 -16.73958936
-0.00027613 0.00026019 -0.00026997
-0.01228743 0.00831919 0.00319314
11.61970740 21.09361075 -23.10373567
0.00052902 -0.00013061 -0.00016203
-0.01241476 -0.04678999 -0.01025789
-11.25998078 15.19142595 -16.03793184
-0.00000722 0.00015586 -0.00038827
-0.03846377 -0.01976412 -0.00968676
4.33861869 17.51175000 10.96675589
0.00036096 0.00016961 -0.00038206
-0.00237890 0.00712290 -0.01545333
-2.05543757 -11.11459565 -3.56160564
-0.00004897 -0.00010304 -0.00012621
-0.05518806 0.03730089 0.00716365
1.18575357 -8.00847637 3.70410936
0.00006686 -0.00032983 0.00011620
0.05488128 -0.00091023 0.00405205
9.59977455 1.80844923 8.10721746
0.00010395 0.00020722 0.00028327
-0.01477653 0.02103426 0.00029285
-6.93061665 -9.45087745 -2.97746301
0.00020656 0.00033144 -0.00027780
-0.02295045 -0.00372890 0.01828707
3.93223499 -12.54560543 -12.93351646
-0.00002520 0.00019651 -0.00009488
0.01115567 0.00983547 -0.00028128
1.13148163 -4.61606746 -1.03431378
0.00011711 0.00009670 0.00021672
0.00478667 -0.03204041 0.02192330
16.85716969 4.43107497 27.27611446
0.00033283 0.00008327 -0.00028327
-0.01011439 -0.02754300 0.03075743
-9.59130981 6.16659424 -4.49302634
0.00004867 -0.00047519 0.00010563
-0.01202355 0.04492229 -0.01485234
-5.08332346 14.91829411 -9.11885108
0.00029681 0.00004811 -0.00031210
0.00492715 -0.00108059 0.00205380
3.06459756 12.17493075 -6.82615104
-0.00018629 -0.00005672 0.00001988
0.00840030 0.01120248 -0.01280037
-4.27609037 11.79494418 -13.77165787
0.00015245 0.00032024 0.00001190
-0.03739037 0.03170978 0.01502452
3.81484137 7.19283905 17.42554603
0.00011809 0.00006085 -0.00007309
-0.00783527 0.01505180 0.00879838
-15.17834639 8.81739230 -9.07257950
-0.00031657 -0.00016785 -0.00012220
0.05696739 -0.00884641 0.02713354
3.73137329 9.22048689 0.40987407
0.00001200 0.00036586 0.00048450
0.02695040 -0.02113482 -0.03723179
15.73173046 -24.00462701 -26.64801582
0.00023766 -0.00004683 -0.00019293
-0.01225794 0.00196246 0.00171415
5.82502095 4.25668476 0.07104760
-0.00016532 -0.00026544 0.00019028
-0.01462095 0.00605863 -0.01161788
17.03203770 -5.31262464 0.44757885
0.00030179 0.00014680 -0.00016688
0.00251831 0.00321468 -0.03830230
-4.55800197 2.54861586 -2.71571177
-0.00018219 -0.00009321 0.00038735
0.05719351 -0.01404788 -0.03243125
0.93878725 2.34083731 -11.87679915
-0.00014654 0.00017311 0.00008064
0.03934634 0.02963949 -0.06245887
15.60052244 9.01089651 -7.49529923
-0.00035276 -0.00014596 0.00016838
-0.03219207 -0.00175660 0.01397841
-6.22788203 0.94427016 12.73334274
-0.00027091 -0.00010141 0.00007610
-0.01847958 0.00990411 -0.03244372
-3.45493498 -16.16914400 12.67792557
-0.00012065 0.00035518 0.00038146
-0.00210732 -0.03196018 -0.00366389
7.00982783 -7.01948650 -5.96876998
0.00013935 0.00020142 -0.00037745
0.00927785 0.00365596 -0.03918055
-1.15901237 -11.52786381 1.64816949
0.00011191 -0.00004174 -0.00033092
-0.01039847 -0.00717783 0.00620704
-16.36340533 -1.78418167 5.11728817
0.00037149 0.00007834 0.00030870
0.01258067 0.00242296 0.03331556
-9.01820932 3.69344223 -21.84224473
-0.00030012 -0.00034238 -0.00035761
0.00081719 0.00305212 -0.00706233
2.21349096 1.27618134 -1.30937367
0.00007161 -0.00003217 -0.00006379
-0.04532862 -0.02185026 0.01817867
12.39094053 8.58565094 3.84696476
0.00025844 -0.00019165 0.00004928
-0.00458732 0.03752910 -0.03107586
-7.31924300 -4.12599705 2.37151699
0.00047742 0.00036232 -0.00075223
0.01616680 -0.00969537 -0.02199859
-10.09486299 -2.89121231 2.38098906
-0.00023209 -0.00162988 -0.00072325
0.03454341 -0.01545217 0.00745718
-16.69765522 5.98257876 6.91897493
-0.00059226 -0.00091057 0.00006470
-0.00307780 -0.00079914 0.00246822
-17.01264329 3.69938746 5.25231096
-0.00013799 -0.00070947 -0.00067030
-0.01137983 0.00383141 0.00639524
-15.87095188 0.99521890 0.71038725
-0.00109509 -0.00040549 -0.00049471
-0.00427106 -0.04058070 -0.00804410
-17.01475476 -1.67597288 -0.24303169
-0.00041686 -0.00052633 0.00007177
-0.05390505 -0.01403339 -0.03582328
1.78646234 -21.09149313 14.93945558
-0.00020277 0.00117800 0.00011113
0.01956027 0.00752815 0.00778771
3.78552973 -18.91167451 15.70706157
-0.00153533 0.00019491 -0.00017776
-0.00531966 0.01531058 0.00097307
8.40632127 14.28354984 -1.30333176
-0.00028506 0.00015513 -0.00011600
-0.00925912 0.00693075 0.00805570
7.63017678 16.67973116 0.31206956
-0.00051807 -0.00037686 0.00099022
0.00160342 -0.00304319 -0.00599610
-8.53014667 9.12443194 12.36278755
0.00069020 0.00045007 0.00015181
0.00513837 0.00485020 0.00893716
-10.49084468 11.20593911 11.81511803
-0.00016212 -0.00058885 -0.00130726
0.00199103 -0.00688421 0.00454059
-9.89452518 0.18007900 -14.26602318
-0.00009767 -0.00040294 -0.00114744
0.03494963 -0.01008098 0.00750712
-8.29183379 -2.19901496 -15.20963689
-0.00017855 -0.00022806 -0.00006422
0.00721648 0.03673779 0.01597895
-12.31111351 1.07440363 -6.95643163
-0.00018122 -0.00010231 -0.00055998
0.02902279 0.01834942 0.00251574
-10.55828560 3.51074459 -6.00722276
-0.00078200 -0.00007149 0.00000835
-0.00563019 0.01307296 0.01631979
-1.95898172 -6.05979716 14.47368581
0.00012182 0.00001590 0.00033201
0.02009067 -0.00414016 0.01008827
-0.26891910 -5.75711041 16.93376204
-0.00028914 0.00027176 0.00092767
-0.00213600 0.00119587 0.00998974
-24.84043337 -0.50654946 -19.07196228
-0.00030670 -0.00027359 0.00100928
0.00714526 0.00303983 0.00422452
-25.61195190 1.07948354 -21.43973528
-0.00001024 0.00012696 -0.00030859
-0.00181907 0.01985836 -0.01169504
9.51534433 8.77066100 6.64094055
-0.00029069 0.00004673 0.00059388
0.00147660 -0.01957452 0.00715750
10.10412627 7.65105677 9.24781198
0.00008469 0.00045610 -0.00026417
-0.00587143 0.00596665 -0.00698541
19.77192779 27.42391851 -4.12308522
0.00018023 0.00036108 -0.00011804
0.00133586 0.00495378 0.00279589
20.11831604 30.40745208 -4.32803086
0.00009289 0.00003028 0.00002316
-0.00940705 0.02311232 0.00884317
6.41848683 -0.38522785 -6.84486813
0.00016357 -0.00120363 -0.00032676
-0.00695729 -0.01050728 -0.00268609
7.04433673 -3.25395253 -7.23663965
0.00057079 -0.00052265 0.00001133
-0.01179818 -0.01665404 0.00192380
-8.56692786 -2.36764908 12.16612380
-0.00061032 -0.00026415 0.00068451
-0.01394581 0.00321470 0.00234665
-11.05303743 -2.90490428 13.74964834
-0.00067553 -0.00053750 -0.00098367
-0.02068508 0.01872462 0.00303022
-1.49151991 -24.38964044 14.73141893
0.00002820 0.00005314 0.00117634
0.00946103 0.00942729 -0.00893955
-3.08419117 -22.28547189 13.45870499
-0.00006105 0.00063912 0.00046290
-0.00268131 0.00198044 0.00583769
-12.17119157 -7.70365080 -7.21096495
-0.00021855 0.00035762 0.00088875
-0.02245226 -0.01447199 0.01155352
-10.47714520 -7.36517063 -9.21366738
-0.00040127 -0.00102473 0.00047035
0.04270701 0.06456127 -0.04881803
-16.16893210 -10.36707766 -15.54327037
-0.00048777 -0.00095374 -0.00111387
0.00380096 0.00730609 0.00195182
-14.24214033 -8.05568130 -16.15627554
0.00014574 -0.00004123 -0.00011724
-0.00826399 -0.00545063 0.00308631
16.80953246 12.61768755 5.32503092
0.00062095 0.00027104 0.00035168
0.00486532 0.00312214 0.00510041
17.42496288 14.04948292 2.80177272
-0.00012136 -0.00008171 -0.00034885
-0.01302713 -0.01087617 0.00976897
18.61673350 -4.07136364 -15.09888790
-0.00027396 -0.00088793 0.00041444
0.00106402 0.00657286 -0.00446934
21.58980746 -3.28430020 -15.41156718
-0.00074602 -0.00010977 0.00020953
-0.03378940 -0.01444688 0.01074228
-1.80468612 7.27385778 -13.66764780
0.00080563 0.00025354 0.00028558
0.01557484 0.00690017 -0.01040230
0.15092489 6.70821657 -15.76385933
0.00025207 0.00048037 -0.00123344
-0.01157891 0.02419684 0.01160829
0.97264036 0.44835805 -15.46474210
-0.00037639 0.00028405 -0.00032790
-0.00329726 0.00159383 0.00603007
2.53007408 -1.05672314 -17.28944670
0.00063181 0.00004594 -0.00080893
0.01458301 -0.00517914 0.00031406
12.04787924 22.73992107 -22.66786635
-0.00037627 -0.00126075 0.00056676
0.01196161 0.04813228 0.01478799
9.77658605 21.07091180 -23.14805708
-0.00026479 0.00084311 0.00022745
0.00201319 -0.00251412 -0.00114787
-10.09323977 16.17160012 -16.99462589
0.00073167 -0.00015289 -0.00025283
0.02192718 0.01628477 -0.01318157
-10.80943997 14.90084498 -14.35942946
-0.00037995 0.00094945 -0.00049544
0.01624305 -0.00053653 0.02388717
2.78095795 18.46314926 11.28446481
-0.00045354 0.00106470 0.00093481
0.01302417 -0.00928785 -0.00530368
4.87670349 17.86787298 9.21519912
0.00057621 0.00021676 -0.00050737
-0.01054189 0.00001919 0.01743559
-3.77127315 -10.31762380 -3.05033418
-0.00073978 0.00038241 0.00085236
0.02830800 -0.02071645 -0.03205111
-1.51749109 -11.12426924 -1.84529608
-0.00022870 -0.00052891 -0.00023894
0.02797702 -0.00878152 0.02813419
0.30102277 -6.84321601 4.74586700
-0.00047807 -0.00082352 -0.00010768
-0.01126301 0.01156769 0.01647942
2.98327580 -8.09103041 4.37758233
-0.00066193 -0.00094001 0.00017464
-0.03107571 0.00331824 -0.00643765
8.58918289 2.06269128 9.64584302
-0.00149162 -0.00010599 -0.00072831
0.01151557 -0.00504662 -0.01372873
9.52858305 3.49481271 7.27753876
0.00033076 0.00064546 -0.00007419
0.00226216 -0.01349415 0.01087050
-7.90665568 -9.00927169 -4.42495171
-0.00036298 0.00021414 0.00068761
0.00246084 0.01169363 -0.02094180
-8.35915257 -10.16055734 -2.01712346
-0.00022330 -0.00023403 0.00031123
0.01361890 -0.00171715 0.00751367
4.97438190 -13.70075128 -11.96093646
-0.00046340 0.00082491 -0.00017008
-0.00569972 0.00001641 -0.00441953
2.33585804 -13.25381509 -13.43653300
0.00023905 0.00043895 -0.00114117
-0.00968988 -0.00705345 0.00102596
1.33707860 -6.17240252 0.07890950
0.00020801 -0.00018906 0.00018548
-0.00457103 0.03329870 -0.02178809
-0.13098975 -3.64221208 -0.14294303
-0.00003161 0.00047547 -0.00039512
-0.00262745 -0.00239454 -0.00085624
17.52620294 3.57550721 25.81597989
-0.00013081 -0.00021902 0.00013060
-0.00249683 -0.00145185 0.00360264
16.31735971 3.04177641 28.48978128
0.00082215 0.00083389 -0.00009275
0.01101373 0.02696312 -0.03174940
-10.97505964 7.39902128 -4.15018960
0.00009683 0.00065139 0.00002958
0.00951800 -0.01858409 0.00801309
-8.58573008 7.31284740 -5.67222184
-0.00023353 0.00013602 0.00022691
-0.00006571 -0.01856239 0.01879158
-6.40709814 16.19022382 -9.21102820
0.00007260 -0.00034292 0.00032468
0.00401878 -0.00735421 -0.00347784
-4.74118922 14.16944677 -10.77734745
-0.00007943 0.00019644 -0.00032236
-0.00464244 0.00706613 0.00425254
2.95816880 10.52758303 -6.07900632
-0.00026171 0.00101808 0.00052475
-0.00394863 -0.00525556 0.00538206
1.52016431 13.14096137 -6.68470039
0.00039090 -0.00037437 -0.00080247
-0.00493448 -0.00142868 0.00255547
-2.81347990 10.95658566 -14.24345773
0.00048106 -0.00042511 0.00006702
0.04274085 -0.02110210 -0.01391370
-5.49913562 10.49486458 -13.51944120
0.00089513 -0.00021109 0.00031262
-0.01126419 -0.00824022 0.00521785
3.97077568 7.98825137 19.12001782
0.00067679 -0.00024656 -0.00040729
0.00324948 -0.00915860 -0.01024544
1.96403354 7.14122925 17.25088617
0.00053571 0.00023431 0.00014074
-0.00203165 -0.00998968 0.00174009
-13.37074183 8.64857519 -8.40864267
-0.00049990 0.00016969 -0.00074236
-0.03566909 0.00791815 -0.02981602
-15.99060838 8.17604129 -7.58023089
-0.00075182 0.00035949 0.00015509
-0.01994925 -0.00168244 0.00868095
5.31046587 10.22907917 0.27528438
-0.00079493 -0.00075720 -0.00073621
-0.01804220 -0.00328415 0.01820489
2.39116282 9.37154297 1.58966541
0.00011173 0.00028587 -0.00127335
-0.00598974 0.01723007 0.01138020
14.29118620 -24.00474754 -25.45993572
0.00018228 0.00053727 -0.00010754
0.00111608 -0.00064348 -0.01078401
14.96955611 -23.62244108 -28.30067422
0.00028735 -0.00106096 0.00068382
0.00501182 -0.00549107 0.01419788
4.70465833 3.34614089 -1.10667869
-0.00042169 0.00064153 0.00077388
0.00679669 0.00465922 0.01237432
4.81359223 5.83982478 0.20621643
-0.00020677 -0.00012984 0.00020087
0.01757055 -0.00704703 0.01014528
16.92041367 -3.69146968 -0.51137068
0.00020633 0.00052441 0.00022452
0.01116015 -0.02528951 0.01247167
16.74859008 -6.67290168 -0.83564257
-0.00048330 -0.00060256 -0.00022318
-0.00419515 0.02022700 0.01442134
-5.85005513 3.03485163 -1.69503646
-0.00128201 -0.00103774 -0.00017610
-0.05602415 0.02804417 0.04057955
-5.14376646 0.92302398 -3.37261220
-0.00069672 -0.00035287 -0.00105531
0.00269618 -0.00459572 -0.00851966
2.56686219 2.92475555 -11.26988544
0.00078624 0.00034918 -0.00017885
-0.01487666 -0.00741428 0.00169081
-0.13068657 1.69903218 -10.68362299
-0.00081240 -0.00010231 0.00055492
-0.02142399 -0.02511969 0.04734177
16.69887449 7.64925920 -8.08931011
0.00079063 -0.00022626 0.00084006
0.02827411 0.00951385 -0.00470649
16.29565150 10.66773247 -7.24520552
-0.00081010 -0.00044831 0.00040610
0.01233107 -0.00457808 -0.00369672
-6.47701271 0.40933490 10.91650226
-0.00028209 -0.00018856 0.00068540
0.00160783 0.00853775 0.02148737
-7.84742637 1.85796940 13.12614317
-0.00088701 0.00083524 0.00112163
0.01158971 -0.01539524 0.00605046
-2.14597562 -16.55057009 13.94281739
0.00037518 -0.00167597 0.00024663
-0.00603581 0.01466172 0.00087623
-4.37156487 -17.79402635 12.60809561
-0.00119627 -0.00089520 0.00003947
0.00624446 0.00904082 -0.00558166
7.13236763 -6.38656269 -4.27503456
-0.00051017 0.00031644 -0.00022091
-0.00931017 0.00254268 0.01749427
5.59660235 -8.20031955 -6.20139271
-0.00049182 0.00035918 -0.00060109
-0.00065672 0.00379325 0.01554619
-2.87387319 -11.62578254 2.37788474
0.00017210 0.00037969 -0.00036933
0.01510608 0.00170808 -0.00425145
-0.20027424 -10.33980906 2.77194965
0.00017171 0.00022511 -0.00050290
-0.01284196 -0.00445222 -0.01188805
-14.84029909 -0.92898200 5.74593744
0.00009555 -0.00042106 -0.00072731
-0.01555452 -0.00465391 0.00284629
-16.08935016 -1.75186810 3.30850844
0.00044190 -0.00030533 0.00101540
0.00379108 0.00007629 -0.01597840
-9.58895674 4.89297509 -23.11205327
0.00013784 -0.00027710 -0.00007630
0.00200554 -0.00247054 -0.00264119
-9.00141445 4.68967934 -20.32171568
-0.00001019 -0.00090171 -0.00123547
0.00095704 0.00434053 0.00985800
1.87727575 1.39888441 -3.08590656
-0.00057716 -0.00068681 0.00123582
0.00052590 -0.00340308 -0.01050533
0.62929372 0.51421784 -0.55537125
-0.00051246 -0.00067932 -0.00069371
0.03251484 0.01838310 -0.01440666
13.82399567 9.78019844 3.85018505
-0.00016965 -0.00084504 -0.00094425
-0.00777471 -0.01401383 0.00416821
11.36154435 9.49168276 2.49107753
-0.00000093 -0.00027467 -0.00031124
0.01028382 -0.02313327 0.01988471
5.46277488 -9.08086729 -10.62817433
-0.00006932 -0.00025975 0.00013600
-0.00211184 0.00266237 -0.00209465
-13.03026781 10.43043765 21.17222079
-0.00000393 -0.00003644 0.00013877
0.00944536 0.00133587 -0.00281343
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06788239
0.31439767
418.91913442
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1863710114
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.3759510938 (a.u.)
total exchange computation time: 3.3274500370 s
-154.1484669655
-931.38110513
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1863710114
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3757461906 (a.u.)
total exchange computation time: 3.3270599842 s
-154.1513881404
Anderson extrapolation: theta=1.3504203188 (1.3504203188)
-931.38135983
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1863710114
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3753626935 (a.u.)
total exchange computation time: 3.3272449970 s
-154.1560621253
Anderson extrapolation: theta=0.0541547449 (0.0541547449)
-931.38151370
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1863710114
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3752544042 (a.u.)
total exchange computation time: 3.3269131184 s
-154.1569512586
Anderson extrapolation: theta=2.0091957378 (2.0000000000)
-931.38151989
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1863710114
ExchangeOperator: bisection time: 2.060 s
total exchange = -52.3750075345 (a.u.)
total exchange computation time: 3.3251409531 s
-154.1588650135
Anderson extrapolation: theta=0.2345449669 (0.2345449669)
-931.38152649
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1863710114
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3749390711 (a.u.)
total exchange computation time: 3.3260970116 s
-154.1593055378
Anderson extrapolation: theta=1.8323788932 (1.8323788932)
-931.38152769
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1863710114
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3748324536 (a.u.)
total exchange computation time: 3.3294641972 s
-154.1599012223
Anderson extrapolation: theta=0.2830686019 (0.2830686019)
-931.38152895
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1863710114
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.3748222375 (a.u.)
total exchange computation time: 3.3251929283 s
-154.1598684708
Anderson extrapolation: theta=1.2778223156 (1.2778223156)
-931.38152919
238.317151 -12.319069 245.531958
-141.768552 489.725531 -804.574455
96.548599 477.406462 -559.042496
741.462794
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1863710114
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3748245852 (a.u.)
total exchange computation time: 3.3283431530 s
678.98382515
-1083.64866007
89.65981235
-389.18201437
-174.81966774
78.24875533
551.60419304
0.00000000
-931.38152927
-8.77163450 -3.84302257 3.38722624
-0.00009287 -0.00026889 0.00060724
-0.04714014 0.02496918 0.01561729
-17.88805037 4.60918154 6.59708639
0.00016809 -0.00020120 -0.00012853
0.01050632 -0.00814778 -0.01481549
-15.66670030 -0.94722583 0.55940194
0.00029710 0.00022240 -0.00003672
0.05201210 0.05265532 0.01957294
3.46675192 -20.68639711 15.68893530
-0.00027449 -0.00008867 -0.00020203
-0.01613235 -0.01681204 -0.00696330
7.43734481 15.89781214 -1.32831226
0.00027317 0.00012585 -0.00017232
0.00922306 -0.00104435 0.01761104
-9.76513883 9.66201241 11.12412065
-0.00019320 -0.00009770 0.00012409
-0.00921455 -0.01219850 -0.02640027
-8.10735898 -0.60172870 -14.13799308
-0.00032880 0.00032272 -0.00019613
-0.03581848 -0.02437340 -0.02536217
-10.81976694 2.21232544 -7.22718837
-0.00004037 0.00032707 0.00054463
-0.01704395 -0.03716665 -0.03068138
-0.20118284 -5.74582931 15.12189037
-0.00015295 -0.00002558 0.00013776
-0.02202162 -0.00005108 -0.00770750
-25.39313779 -0.57556777 -20.79899847
-0.00045060 -0.00020947 0.00006738
0.00477305 -0.02010260 0.00709465
8.87510248 7.50695335 7.85361333
-0.00004814 0.00002279 -0.00003128
0.00884428 0.00489156 -0.00244557
20.75567468 28.79567947 -4.87526546
-0.00000475 -0.00006766 -0.00023829
0.01578026 -0.04160068 -0.01347448
7.75325107 -1.59774405 -7.19406945
-0.00007316 0.00023106 -0.00004305
0.01862341 0.01284360 -0.00234048
-9.45709350 -3.53855374 13.25167191
0.00046345 0.00015355 0.00042233
0.02384604 -0.02610337 -0.00452547
-1.35085458 -22.74616679 13.87031059
0.00023065 -0.00004548 0.00007654
-0.00573145 -0.01057256 0.01086882
-11.07913793 -8.67901021 -8.32655628
0.00008266 0.00000044 0.00017105
-0.03199304 -0.05049415 0.05035644
-15.95286885 -8.53546004 -15.55001863
0.00018270 0.00006762 0.00010853
-0.00373049 -0.00973540 -0.00397421
16.50490074 12.60726762 3.52234496
0.00041523 0.00026623 0.00009746
0.00498117 0.00557550 -0.01034102
20.30195186 -4.59393171 -14.72578407
-0.00026296 0.00015430 -0.00006131
0.03413294 0.00358305 -0.00721138
-0.62966284 8.16211245 -14.83596696
0.00033798 -0.00002042 -0.00011688
-0.00151365 -0.03808426 0.00132824
0.79996823 -0.85728299 -16.74362662
-0.00028056 0.00026412 -0.00026906
-0.00495051 0.00698480 0.00034583
11.62759487 21.09147112 -23.10620564
0.00052051 -0.00015677 -0.00016799
-0.02068495 -0.05495951 -0.01293922
-11.26023744 15.19368755 -16.04379332
-0.00002668 0.00014610 -0.00039414
-0.03722890 -0.01815385 -0.01313255
4.34402394 17.51432157 10.96096533
0.00035800 0.00017431 -0.00038954
-0.00914745 0.01118713 -0.01361758
-2.05638501 -11.11599738 -3.56347122
-0.00007829 -0.00008345 -0.00012233
-0.05882776 0.03890170 0.00793280
1.18696815 -8.01342738 3.70586806
0.00009425 -0.00033052 0.00011774
0.05163486 -0.00177705 0.00190559
9.60127673 1.81163866 8.11146768
0.00009623 0.00021875 0.00028289
-0.01522845 0.02381394 -0.00176875
-6.92760680 -9.44592021 -2.98155948
0.00019418 0.00032870 -0.00026673
-0.02519793 -0.00691897 0.02474420
3.93190000 -12.54261985 -12.93494076
-0.00002021 0.00020253 -0.00009577
0.00825698 0.01356887 -0.00316985
1.13325668 -4.61474056 -1.03097842
0.00011969 0.00008012 0.00022791
0.00525550 -0.03241457 0.02158110
16.86212317 4.43221775 27.27198401
0.00032766 0.00007006 -0.00026744
-0.00999506 -0.02380776 0.03082498
-9.59062606 6.15963973 -4.49149920
0.00004181 -0.00045104 0.00009815
-0.01465459 0.04898584 -0.01424731
-5.07885229 14.91901155 -9.12352470
0.00029949 0.00004747 -0.00031078
0.00547859 -0.00141747 0.00307599
3.06183566 12.17412316 -6.82590215
-0.00018071 -0.00005030 0.00001260
0.01327706 0.01374858 -0.01554601
-4.27394782 11.79987011 -13.77142148
0.00013489 0.00033556 0.00001906
-0.03088572 0.02786438 0.01285263
3.81658253 7.19380981 17.42448357
0.00011476 0.00006834 -0.00006900
-0.00511026 0.01410516 0.00710840
-15.18287521 8.81484042 -9.07430777
-0.00028824 -0.00017240 -0.00010818
0.05319172 -0.00884678 0.02734784
3.73165721 9.22589320 0.41699797
0.00002630 0.00035336 0.00046357
0.02867266 -0.02744315 -0.04414571
15.73524815 -24.00532195 -26.65090316
0.00023190 -0.00004612 -0.00019032
-0.01016147 0.00082771 0.00843843
5.82248477 4.25272649 0.07385697
-0.00017249 -0.00026139 0.00018502
-0.01326666 0.00969865 -0.00884046
17.03657424 -5.31041029 0.44492785
0.00030281 0.00014787 -0.00018697
0.00147349 0.00094154 -0.03981726
-4.56051424 2.54716350 -2.71002660
-0.00015411 -0.00010141 0.00037085
0.05200702 -0.01784102 -0.03172737
0.93674085 2.34354828 -11.87583046
-0.00012673 0.00018788 0.00005058
0.03771329 0.02780689 -0.05444544
15.59510691 9.00870038 -7.49271955
-0.00036903 -0.00014819 0.00017508
-0.03108271 -0.00692231 0.01204591
-6.23201695 0.94278720 12.73435909
-0.00028137 -0.00009525 0.00006076
-0.02219812 0.01406518 -0.02719393
-3.45675286 -16.16393956 12.68363327
-0.00012220 0.00033617 0.00038022
-0.00392328 -0.04196605 -0.00114233
7.01195393 -7.01645114 -5.97458290
0.00014358 0.00020304 -0.00039720
0.00716095 0.00267385 -0.03761071
-1.15737385 -11.52851764 1.64322960
0.00010678 -0.00004535 -0.00032777
-0.00955257 -0.00683403 0.00604260
-16.35778444 -1.78299725 5.12204712
0.00037672 0.00007895 0.00032615
0.00773462 -0.00006388 0.03454263
-9.02270790 3.68831834 -21.84763619
-0.00029960 -0.00034213 -0.00036256
0.00119607 -0.00209536 -0.01217846
2.21439031 1.27561447 -1.31026046
0.00004791 -0.00004398 -0.00005202
-0.04685500 -0.02405955 0.02762359
12.39479943 8.58292099 3.84758409
0.00025485 -0.00017300 0.00003287
-0.00936865 0.03497571 -0.03272406
-7.31158629 -4.12085928 2.35955943
0.00052930 0.00032416 -0.00082973
0.00922838 -0.00898663 -0.01593563
-10.09728582 -2.91613398 2.37036878
-0.00009218 -0.00169185 -0.00069003
0.03394294 -0.01488377 0.00880573
-16.70663336 5.96889566 6.92002114
-0.00059485 -0.00090355 0.00007639
0.00180606 0.00423697 0.00325247
-17.01506181 3.68886281 5.24245236
-0.00018691 -0.00068916 -0.00063853
-0.01256775 0.00611054 0.00915705
-15.88750906 0.98789302 0.70272012
-0.00111082 -0.00056635 -0.00052609
-0.00343027 -0.03815887 -0.00731622
-17.02265951 -1.68429788 -0.24305293
-0.00062083 -0.00057668 -0.00006467
-0.04593825 -0.01061131 -0.03096077
1.78402016 -21.07359241 14.94136120
-0.00012795 0.00120415 0.00014085
0.01706686 0.00526962 0.00675898
3.76233669 -18.90828175 15.70442496
-0.00155428 0.00025557 -0.00017251
-0.00395407 0.01438478 0.00159794
8.40176169 14.28608920 -1.30482485
-0.00032059 0.00018002 -0.00008313
-0.00813667 0.00525295 0.00803298
7.62245488 16.67398507 0.32673909
-0.00051272 -0.00039410 0.00095527
0.00101518 -0.00539906 -0.01111095
-8.51963624 9.13133162 12.36533851
0.00070657 0.00047198 0.00018495
0.00287807 0.00587615 0.00728834
-10.49321548 11.19689546 11.79564831
-0.00015862 -0.00060574 -0.00128313
-0.00027811 -0.00138367 0.00726773
-9.89491923 0.17372599 -14.28300476
0.00004200 -0.00044148 -0.00111527
0.03341779 -0.00878258 0.00824070
-8.29429093 -2.20131008 -15.21011049
-0.00014822 -0.00007534 0.00000255
0.00763011 0.03801906 0.01670562
-12.31294241 1.07343133 -6.96475422
-0.00006154 -0.00002599 -0.00054912
0.02955859 0.01900687 0.00279850
-10.57018813 3.51007283 -6.00659747
-0.00080387 -0.00000980 0.00008310
-0.00507382 0.01712333 0.02027131
-1.95653881 -6.05968547 14.47897514
0.00019983 -0.00000165 0.00037145
0.01809761 -0.00445375 0.00921745
-0.27332164 -5.75299738 16.94798323
-0.00029707 0.00027631 0.00095543
-0.00174766 0.00102949 0.00359692
-24.84481495 -0.51056023 -19.05669361
-0.00028173 -0.00026110 0.00101184
0.00507902 0.00307543 -0.00297163
-25.61216131 1.08199642 -21.44472249
-0.00001672 0.00020161 -0.00035353
-0.00135076 0.01668558 -0.01030589
9.51102918 8.77076215 6.65006813
-0.00028319 -0.00002863 0.00061762
0.00219541 -0.01731702 0.00445982
10.10521668 7.65808104 9.24363542
0.00006112 0.00047928 -0.00029105
-0.00566649 0.00538131 -0.00617438
19.77467220 27.42948649 -4.12477015
0.00018292 0.00037731 -0.00010442
-0.00002068 0.00299008 0.00387308
20.11942108 30.40861454 -4.32741248
0.00005533 0.00012291 0.00005814
-0.00897512 0.02223016 0.00827915
6.42072717 -0.40360430 -6.84985183
0.00012134 -0.00123356 -0.00033416
-0.01371204 -0.00414188 -0.00093898
7.05253698 -3.26230261 -7.23641080
0.00052610 -0.00058383 0.00001930
-0.01007751 -0.01329311 0.00198097
-8.57650995 -2.37151288 12.17646329
-0.00065918 -0.00024163 0.00068473
-0.00997538 0.00781020 -0.00223593
-11.06380419 -2.91239293 13.73498614
-0.00075304 -0.00046472 -0.00097357
-0.01725846 0.01690085 0.00191461
-1.49080694 -24.38855449 14.74879003
0.00006673 0.00009646 0.00113648
0.00939753 0.01177936 -0.01057114
-3.08518903 -22.27582433 13.46582731
-0.00006772 0.00064483 0.00048796
-0.00058326 0.00081089 0.00642967
-12.17515780 -7.69873001 -7.19727971
-0.00030302 0.00029275 0.00092797
-0.01889689 -0.01727945 0.00764418
-10.48185563 -7.37856329 -9.20810812
-0.00021850 -0.00074277 0.00025802
0.04676233 0.07346212 -0.05511970
-16.17613225 -10.38115981 -15.55991866
-0.00046986 -0.00090839 -0.00110499
0.00496759 0.01489236 0.00239694
-14.24020741 -8.05646672 -16.15793952
0.00011220 -0.00006376 -0.00010493
-0.00815719 -0.00557809 0.00293638
16.81899584 12.62184881 5.33046239
0.00064016 0.00028390 0.00036822
0.00453489 0.00317116 0.00299676
17.42274330 14.04792398 2.79683937
-0.00017162 -0.00012176 -0.00030999
-0.01157822 -0.00872685 0.00925143
18.61265664 -4.08448120 -15.09280833
-0.00027537 -0.00085866 0.00039465
-0.00175416 0.00775690 -0.00521431
21.57758178 -3.28638938 -15.40809499
-0.00088098 -0.00016524 0.00025134
-0.03227346 -0.01271051 0.00971978
-1.79212438 7.27787227 -13.66368290
0.00086825 0.00027909 0.00024387
0.01507538 0.00560737 -0.01001490
0.15435117 6.71616360 -15.78200527
0.00020322 0.00057914 -0.00118395
-0.01233615 0.02415104 0.01262114
0.96689349 0.45266765 -15.46947587
-0.00038887 0.00029066 -0.00030327
-0.00281210 0.00164106 0.00602722
2.53999817 -1.05619279 -17.30157099
0.00067541 0.00002744 -0.00080142
0.00675779 -0.00387674 0.00335924
12.04260177 22.72248472 -22.65891174
-0.00032051 -0.00104578 0.00063263
0.01533152 0.05709582 0.01745354
9.77267592 21.08348134 -23.14468045
-0.00024681 0.00083042 0.00022242
0.00678799 -0.00369716 -0.00131837
-10.08159285 16.16980578 -16.99882223
0.00081759 -0.00008897 -0.00030491
0.02013250 0.01500685 -0.01231541
-10.81464155 14.91507033 -14.36612913
-0.00031298 0.00094621 -0.00039220
0.01654038 -0.00105181 0.02664990
2.77455394 18.47883516 11.29832442
-0.00038438 0.00101760 0.00090772
0.02083114 -0.01376783 -0.00795455
4.88502365 17.87112504 9.20812278
0.00053094 0.00021744 -0.00043427
-0.01161921 0.00031318 0.01835165
-3.78150241 -10.31252253 -3.03853088
-0.00061726 0.00029438 0.00071808
0.03166647 -0.02237150 -0.03368084
-1.52006429 -11.13247191 -1.84801810
-0.00011365 -0.00056487 -0.00012263
0.02833949 -0.00882200 0.02880214
0.29350654 -6.85521433 4.74475675
-0.00052443 -0.00077472 -0.00003881
-0.01143073 0.01232094 0.01723457
2.97239453 -8.10502894 4.38000463
-0.00078190 -0.00092558 0.00015127
-0.02764640 0.00374632 -0.00500164
8.56716153 2.06094677 9.63449770
-0.00144425 -0.00012620 -0.00078385
0.01167158 -0.00484602 -0.01346002
9.53361374 3.50408106 7.27675904
0.00033992 0.00058472 -0.00002649
0.00222132 -0.01623876 0.01247716
-7.91202504 -9.00570125 -4.41527927
-0.00035691 0.00026437 0.00059468
0.00051070 0.01289489 -0.02454866
-8.36208476 -10.16412047 -2.01222478
-0.00015927 -0.00023713 0.00033663
0.01772418 0.00020234 0.00491980
4.96725619 -13.68837709 -11.96362307
-0.00048102 0.00081748 -0.00018281
-0.00292441 -0.00365580 -0.00181045
2.33914688 -13.24744696 -13.45361909
0.00019945 0.00040943 -0.00113635
-0.00969348 -0.00739866 0.00133312
1.34005872 -6.17421812 0.08102402
0.00018818 -0.00005097 0.00009627
-0.00513937 0.03429777 -0.02188063
-0.13154440 -3.63515342 -0.14889603
-0.00004219 0.00046442 -0.00039768
-0.00255157 -0.00301574 -0.00040060
17.52416422 3.57217740 25.81804926
-0.00013877 -0.00022736 0.00014037
-0.00139923 -0.00262853 0.00118016
16.33002944 3.05511098 28.48741711
0.00086461 0.00093889 -0.00021779
0.00977080 0.02443731 -0.02945580
-10.97331557 7.40822261 -4.14950030
0.00014019 0.00056935 0.00006184
0.01171046 -0.02157309 0.00777869
-8.58923504 7.31431890 -5.66824242
-0.00023282 0.00005840 0.00030319
0.00041542 -0.01943147 0.01854887
-6.40588603 16.18485467 -9.20626455
0.00008736 -0.00037138 0.00030993
0.00320527 -0.00657855 -0.00374415
-4.74252300 14.17260996 -10.78205254
-0.00009805 0.00022458 -0.00030639
-0.00447166 0.00670544 0.00356296
2.95412222 10.54269313 -6.07097022
-0.00027844 0.00098576 0.00055147
-0.00424351 -0.01056536 0.00769819
1.52587656 13.13530208 -6.69665916
0.00036109 -0.00037388 -0.00079088
-0.00965455 0.00166790 0.00311694
-2.80495425 10.94956233 -14.24287876
0.00064470 -0.00050356 0.00001371
0.03736004 -0.01730045 -0.01218463
-5.48605389 10.49144573 -13.51459207
0.00084704 -0.00024476 0.00033427
-0.01227481 -0.00823997 0.00538260
3.98102710 7.98427238 19.11359449
0.00069023 -0.00028209 -0.00044510
0.00332978 -0.00823724 -0.00826223
1.97200700 7.14443783 17.25305054
0.00052175 0.00019352 0.00014719
-0.00480404 -0.00997770 0.00142137
-13.37933333 8.65136311 -8.42069172
-0.00064129 0.00020079 -0.00086117
-0.03354194 0.00730875 -0.02834115
-16.00249694 8.18138213 -7.57763848
-0.00082980 0.00035390 0.00018710
-0.01822618 -0.00105533 0.00698836
5.29798901 10.21762046 0.26479911
-0.00085655 -0.00076073 -0.00066127
-0.01211804 0.00155848 0.01847622
2.39265515 9.37635902 1.57091395
0.00007155 0.00035947 -0.00121280
-0.01367624 0.01879512 0.01825772
14.29395462 -23.99670825 -25.46187922
0.00018783 0.00053411 -0.00015137
0.00159880 -0.00090346 -0.01067232
14.97402000 -23.63852368 -28.28998193
0.00030222 -0.00108031 0.00072772
0.00226703 -0.00398109 0.00729520
4.69854122 3.35590656 -1.09469128
-0.00039849 0.00065457 0.00081767
0.00456153 0.00172534 0.00905933
4.81102905 5.83766122 0.20954041
-0.00013345 -0.00015924 0.00024300
0.01831973 -0.00734222 0.01047390
16.92385064 -3.68437851 -0.50762077
0.00025214 0.00041954 0.00027451
0.01126442 -0.02604566 0.01200003
16.74121203 -6.68132034 -0.83854835
-0.00049922 -0.00051311 -0.00016024
-0.00359966 0.02356098 0.01638781
-5.87100201 3.02014482 -1.69643444
-0.00150476 -0.00092566 -0.00001556
-0.05301265 0.02682263 0.03800461
-5.15413463 0.91759003 -3.38870287
-0.00068089 -0.00036174 -0.00108586
0.00505240 0.00025476 -0.00643541
2.57819985 2.92976598 -11.27251642
0.00071486 0.00031490 -0.00017454
-0.02006213 -0.00936190 0.00042053
-0.14352907 1.69672772 -10.67384847
-0.00088578 -0.00019724 0.00073441
-0.01449831 -0.02134844 0.04051958
16.71160042 7.64615676 -8.07685343
0.00090155 -0.00018342 0.00082268
0.02601857 0.01145696 -0.00380214
16.28387791 10.66086752 -7.23922728
-0.00075724 -0.00046025 0.00039255
0.01354493 -0.00126622 -0.00293442
-6.48119475 0.40676810 10.92744164
-0.00027740 -0.00015450 0.00076704
0.00068485 0.00813724 0.01847563
-7.86037635 1.87002623 13.14315307
-0.00083017 0.00076524 0.00114237
0.01623436 -0.01887090 0.00410170
-2.14053292 -16.57526036 13.94654367
0.00034443 -0.00161265 0.00024429
-0.00901349 0.01633396 -0.00202049
-4.38931751 -17.80717728 12.60851659
-0.00116163 -0.00084095 0.00001713
0.01071228 0.01751492 -0.00535426
7.12442983 -6.38173822 -4.27781213
-0.00054807 0.00032601 -0.00015190
-0.00924567 0.00214540 0.01628669
5.58920490 -8.19481563 -6.20993273
-0.00049037 0.00037758 -0.00053726
0.00136744 0.00521392 0.01569879
-2.87082884 -11.62003489 2.37221454
0.00023202 0.00038626 -0.00038597
0.01422583 0.00150995 -0.00389589
-0.19809215 -10.33656888 2.76404186
0.00011913 0.00020631 -0.00055173
-0.01289598 -0.00474919 -0.01201662
-14.83934253 -0.93544045 5.73511506
0.00004184 -0.00043414 -0.00070965
-0.01073706 -0.00175114 0.00579545
-16.08260542 -1.75644574 3.32324982
0.00045731 -0.00030574 0.00094072
0.00375183 -0.00027674 -0.02057963
-9.58682773 4.88874288 -23.11327878
0.00014447 -0.00028489 -0.00009087
0.00124284 -0.00134433 -0.00448802
-9.00153804 4.67628666 -20.33994559
-0.00000579 -0.00087550 -0.00118061
0.00119902 0.00848825 0.01699383
1.86863442 1.38847798 -3.06769117
-0.00057653 -0.00069825 0.00117259
-0.00021651 -0.00219893 -0.02044870
0.62260323 0.50459130 -0.56621839
-0.00037538 -0.00060209 -0.00075105
0.03458326 0.01942211 -0.01365850
13.82121263 9.76709345 3.83614900
-0.00019255 -0.00089549 -0.00092597
-0.00343205 -0.01068158 0.00477982
11.36184546 9.48685388 2.48701831
0.00004208 -0.00037065 -0.00022757
0.01077379 -0.02385226 0.02107274
5.46172935 -9.08475634 -10.62613992
-0.00007005 -0.00025877 0.00013519
-0.00194812 0.00281114 -0.00245301
-13.03031032 10.42989339 21.17429745
-0.00000172 -0.00003613 0.00013810
0.00961607 0.00130490 -0.00297856
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06827249
0.31325679
417.39896415
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3768525525 (a.u.)
total exchange computation time: 3.3412158489 s
-154.1591733694
-931.37976975
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3766959311 (a.u.)
total exchange computation time: 3.3417191505 s
-154.1619661432
Anderson extrapolation: theta=1.3572926210 (1.3572926210)
-931.38002826
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.3764152040 (a.u.)
total exchange computation time: 3.3420920372 s
-154.1663082573
Anderson extrapolation: theta=0.0566782705 (0.0566782705)
-931.38018750
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3763435309 (a.u.)
total exchange computation time: 3.3426749706 s
-154.1670425868
Anderson extrapolation: theta=2.0748241614 (2.0000000000)
-931.38019505
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3761851257 (a.u.)
total exchange computation time: 3.3430049419 s
-154.1685717825
Anderson extrapolation: theta=0.2700565586 (0.2700565586)
-931.38020452
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.3761430380 (a.u.)
total exchange computation time: 3.3433399200 s
-154.1689141479
Anderson extrapolation: theta=1.5736092197 (1.5736092197)
-931.38020679
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3760963509 (a.u.)
total exchange computation time: 3.3454301357 s
-154.1692332979
Anderson extrapolation: theta=0.3240863532 (0.3240863532)
-931.38020952
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3761003361 (a.u.)
total exchange computation time: 3.3419461250 s
-154.1691346754
Anderson extrapolation: theta=1.1106386383 (1.1106386383)
-931.38021030
238.258177 -12.437636 245.570176
-141.820070 489.704549 -804.608385
96.438107 477.266913 -559.038209
741.355336
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3761178793 (a.u.)
total exchange computation time: 3.3440051079 s
679.00166259
-1083.69578484
89.66347569
-389.14981837
-174.82362811
78.27679508
551.60419304
0.00000000
-931.38021092
-8.77320932 -3.84695964 3.39639510
-0.00011486 -0.00025646 0.00061332
-0.03837884 0.02339077 0.00802950
-17.88548855 4.60613216 6.59510132
0.00017243 -0.00020723 -0.00013698
0.00638176 -0.01530631 -0.01806266
-15.66204321 -0.94368665 0.55892669
0.00032127 0.00024743 -0.00002825
0.04197767 0.04464452 0.01333311
3.46257238 -20.68779201 15.68587802
-0.00028226 -0.00009636 -0.00020544
-0.01409448 -0.01310877 -0.00631108
7.44147793 15.89969593 -1.33082914
0.00027772 0.00012633 -0.00016211
0.00845642 0.00287671 0.02211058
-9.76807232 9.66049990 11.12588015
-0.00019669 -0.00010573 0.00011032
-0.00438179 -0.01904911 -0.02714303
-8.11242909 -0.59698188 -14.14103279
-0.00034665 0.00030957 -0.00020934
-0.03360332 -0.02676260 -0.02603456
-10.82043826 2.21708808 -7.21913723
-0.00004914 0.00030696 0.00052782
-0.01706260 -0.04101234 -0.03471074
-0.20356197 -5.74621324 15.12392700
-0.00016368 -0.00002546 0.00013568
-0.01971229 0.00052050 -0.00038236
-25.39987836 -0.57878729 -20.79796035
-0.00044778 -0.00021884 0.00007229
0.00617436 -0.01633762 0.01199340
8.87441452 7.50731410 7.85313464
-0.00004388 0.00002477 -0.00003200
0.00771464 0.00279675 -0.00035443
20.75566427 28.79450409 -4.87889179
0.00000355 -0.00008810 -0.00024522
0.01650442 -0.03787490 -0.01348124
7.75222550 -1.59422855 -7.19472419
-0.00006244 0.00023506 -0.00004470
0.02306790 0.00269763 -0.00409313
-9.45004973 -3.53635114 13.25798937
0.00047356 0.00013949 0.00042157
0.01545191 -0.02859824 0.00156368
-1.34741699 -22.74688984 13.87150059
0.00022702 -0.00005111 0.00008229
-0.00837577 -0.01131100 0.01151070
-11.07802149 -8.67919833 -8.32379632
0.00006477 -0.00002617 0.00019879
-0.03754311 -0.05298006 0.05752763
-15.95014269 -8.53448324 -15.54840600
0.00018043 0.00006087 0.00010645
-0.00508906 -0.01652945 -0.00412501
16.51114834 12.61128253 3.52376692
0.00041745 0.00026841 0.00009288
0.00367036 0.00292272 -0.00743665
20.29813913 -4.59160332 -14.72673155
-0.00024527 0.00015528 -0.00006454
0.03467324 0.00021581 -0.00533378
-0.62459900 8.16165932 -14.83771502
0.00033749 -0.00003945 -0.00011654
-0.00036759 -0.03594242 -0.00000121
0.79574071 -0.85329423 -16.74766121
-0.00028130 0.00026740 -0.00026958
0.00209028 0.00577043 -0.00234623
11.63532276 21.08890750 -23.10877543
0.00050805 -0.00018650 -0.00017520
-0.02777892 -0.06065031 -0.01508069
-11.26078132 15.19580910 -16.04975612
-0.00004526 0.00013725 -0.00040159
-0.03499642 -0.01629569 -0.01582313
4.34935863 17.51697945 10.95506971
0.00035177 0.00018094 -0.00039597
-0.01506811 0.01456343 -0.01140325
-2.05778629 -11.11709900 -3.56527561
-0.00010912 -0.00006317 -0.00011784
-0.06106714 0.03994494 0.00954919
1.18858108 -8.01839209 3.70764146
0.00011961 -0.00033148 0.00011822
0.04699827 -0.00192696 -0.00001365
9.60266143 1.81501181 8.11570426
0.00008835 0.00023157 0.00028147
-0.01541603 0.02600960 -0.00377674
-6.92479134 -9.44101635 -2.98546504
0.00018069 0.00032443 -0.00025260
-0.02723123 -0.00969635 0.03022596
3.93162871 -12.53952959 -12.93638952
-0.00001687 0.00021045 -0.00009823
0.00474697 0.01722153 -0.00640093
1.13507226 -4.61366374 -1.02747658
0.00012246 0.00006357 0.00023879
0.00553546 -0.03194729 0.02075874
16.86699954 4.43317685 27.26809138
0.00032263 0.00005897 -0.00025178
-0.00955246 -0.01932677 0.03005381
-9.59005537 6.15306312 -4.49008198
0.00003368 -0.00042502 0.00009104
-0.01699651 0.05220412 -0.01340086
-5.07433885 14.91971806 -9.12817458
0.00030247 0.00004665 -0.00030891
0.00610140 -0.00176815 0.00419307
3.05917619 12.17342164 -6.82577319
-0.00017268 -0.00004265 0.00000393
0.01797503 0.01599795 -0.01813800
-4.27204354 11.80501100 -13.77108593
0.00012091 0.00034862 0.00002504
-0.02349885 0.02291667 0.01037726
3.81828427 7.19488940 17.42347596
0.00011281 0.00007531 -0.00006588
-0.00248835 0.01298422 0.00503744
-15.18699366 8.81222030 -9.07582505
-0.00026218 -0.00017696 -0.00009405
0.04814993 -0.00889689 0.02761953
3.73216234 9.23108779 0.42378130
0.00004122 0.00033755 0.00043934
0.02932946 -0.03403146 -0.05009877
15.73868745 -24.00601050 -26.65372540
0.00022733 -0.00004599 -0.00018416
-0.00762451 -0.00031908 0.01551971
5.81984623 4.24884304 0.07659814
-0.00017883 -0.00025550 0.00018125
-0.01140028 0.01320112 -0.00581979
17.04112214 -5.30818868 0.44196967
0.00030333 0.00014775 -0.00020761
0.00053434 -0.00138806 -0.04041952
-4.56262529 2.54557351 -2.70458620
-0.00012935 -0.00011124 0.00035520
0.04426662 -0.02038059 -0.02914035
0.93498540 2.34647378 -11.87528179
-0.00010822 0.00020149 0.00002486
0.03427152 0.02511091 -0.04554858
15.58945159 9.00645085 -7.49004694
-0.00038462 -0.00015308 0.00018077
-0.02954892 -0.01209540 0.01008107
-6.23632311 0.94141274 12.73516565
-0.00029352 -0.00008700 0.00004825
-0.02506394 0.01801652 -0.02145591
-3.45860100 -16.15905886 12.68933215
-0.00012457 0.00031233 0.00038022
-0.00527647 -0.05073449 0.00115303
7.01413527 -7.01339515 -5.98068597
0.00014674 0.00020426 -0.00041597
0.00511302 0.00203195 -0.03536357
-1.15580903 -11.52922420 1.63833632
0.00010214 -0.00004882 -0.00032480
-0.00848629 -0.00666241 0.00551945
-16.35210387 -1.78181331 5.12707255
0.00037934 0.00007822 0.00034405
0.00246969 -0.00276599 0.03507348
-9.02719726 3.68317829 -21.85312160
-0.00029889 -0.00034451 -0.00037010
0.00155045 -0.00714410 -0.01713227
2.21492819 1.27486200 -1.31093414
0.00002366 -0.00005679 -0.00003557
-0.04741856 -0.02577070 0.03633164
12.39858605 8.58046086 3.84795095
0.00024881 -0.00015586 0.00001578
-0.01413725 0.03170373 -0.03376321
-7.30336400 -4.11627227 2.34662524
0.00055275 0.00028864 -0.00088198
0.00224841 -0.00839963 -0.00964574
-10.09762843 -2.94196782 2.36028817
0.00004384 -0.00175071 -0.00065209
0.03263953 -0.01392726 0.00976539
-16.71550081 5.95547221 6.92126668
-0.00057720 -0.00087564 0.00009141
0.00683689 0.00942723 0.00409862
-17.01825056 3.67871265 5.23315497
-0.00024005 -0.00066007 -0.00059628
-0.01344414 0.00813055 0.01152442
-15.90427646 0.97822853 0.69460462
-0.00112329 -0.00071558 -0.00055434
-0.00267464 -0.03489070 -0.00651243
-17.03337964 -1.69327321 -0.24497165
-0.00078881 -0.00061117 -0.00017938
-0.03628855 -0.00627435 -0.02519462
1.78262394 -21.05536874 14.94368106
-0.00006432 0.00122084 0.00016585
0.01407861 0.00290051 0.00547850
3.73890133 -18.90400741 15.70188628
-0.00156790 0.00031125 -0.00016467
-0.00271378 0.01287177 0.00223950
8.39670345 14.28895049 -1.30582564
-0.00035127 0.00019752 -0.00005042
-0.00687951 0.00331435 0.00797879
7.61479519 16.66790809 0.34072767
-0.00050953 -0.00042029 0.00090037
0.00054735 -0.00742084 -0.01576432
-8.50894943 9.13859143 12.36833616
0.00071345 0.00049801 0.00021115
0.00048789 0.00686281 0.00553566
-10.49560333 11.18776701 11.77662401
-0.00016472 -0.00059960 -0.00124796
-0.00270493 0.00438905 0.00994945
-9.89326523 0.16683474 -14.29948130
0.00017401 -0.00047419 -0.00108039
0.03120138 -0.00723336 0.00883434
-8.29628045 -2.20127514 -15.20956027
-0.00011641 0.00008095 0.00007128
0.00794032 0.03848761 0.01693442
-12.31295977 1.07362388 -6.97290531
0.00005891 0.00005194 -0.00053693
0.02940105 0.01913995 0.00317069
-10.58240161 3.51045050 -6.00472982
-0.00082371 0.00006720 0.00017266
-0.00463812 0.02057065 0.02356867
-1.95298676 -6.05984672 14.48482937
0.00026861 -0.00002063 0.00040693
0.01557113 -0.00483779 0.00814705
-0.27783128 -5.74882126 16.96242485
-0.00030339 0.00028012 0.00095731
-0.00134456 0.00083711 -0.00267704
-24.84888526 -0.51438253 -19.04160707
-0.00026486 -0.00024842 0.00098586
0.00318111 0.00313024 -0.00974694
-25.61245349 1.08553189 -21.45034130
-0.00002118 0.00026199 -0.00039236
-0.00083026 0.01286754 -0.00869993
9.50684857 8.76980201 6.65946903
-0.00027249 -0.00009399 0.00062964
0.00304337 -0.01467423 0.00142455
10.10595980 7.66543512 9.23908045
0.00003868 0.00050004 -0.00031421
-0.00531451 0.00478305 -0.00516436
19.77741533 27.43523772 -4.12621772
0.00017992 0.00038525 -0.00008629
-0.00144444 0.00089710 0.00500223
20.11997607 30.41113940 -4.32628671
0.00002025 0.00021039 0.00009023
-0.00820079 0.02059228 0.00743134
6.42212716 -0.42223460 -6.85489306
0.00005259 -0.00123792 -0.00033462
-0.01994581 0.00200901 0.00071541
7.06011963 -3.27146737 -7.23606055
0.00048879 -0.00063013 0.00002754
-0.00818253 -0.00937055 0.00204946
-8.58670340 -2.37489803 12.18666575
-0.00069152 -0.00019997 0.00066577
-0.00585390 0.01258391 -0.00704532
-11.07562865 -2.91884578 13.72044129
-0.00081469 -0.00040010 -0.00096821
-0.01292028 0.01472880 0.00070674
-1.48951802 -24.38674663 14.76551327
0.00010492 0.00014849 0.00109035
0.00929469 0.01368736 -0.01200971
-3.08622264 -22.26612708 13.47334368
-0.00006593 0.00064571 0.00051538
0.00145840 -0.00038025 0.00699639
-12.18028215 -7.69486821 -7.18312599
-0.00037299 0.00021695 0.00095109
-0.01535441 -0.01982576 0.00367570
-10.48370017 -7.38745374 -9.20592693
-0.00002348 -0.00043288 0.00002610
0.04869894 0.07823311 -0.05840451
-16.18302795 -10.39432928 -15.57642006
-0.00044730 -0.00083364 -0.00109404
0.00607609 0.02169799 0.00296243
-14.23877442 -8.05759400 -16.15942355
0.00007950 -0.00008663 -0.00009336
-0.00784625 -0.00561953 0.00272770
16.82873714 12.62620441 5.33607751
0.00065792 0.00029688 0.00037603
0.00416013 0.00318622 0.00082562
17.41981414 14.04583019 2.79247300
-0.00021547 -0.00015221 -0.00027377
-0.00988476 -0.00617862 0.00847694
18.60847228 -4.09712338 -15.08704832
-0.00028778 -0.00082492 0.00037205
-0.00431952 0.00875698 -0.00585115
21.56337818 -3.28925754 -15.40402711
-0.00100852 -0.00021260 0.00028844
-0.03015943 -0.01046801 0.00844448
-1.77863874 7.28223042 -13.66033177
0.00092810 0.00029886 0.00020447
0.01422234 0.00407150 -0.00926835
0.15702140 6.72559075 -15.79937771
0.00015195 0.00067655 -0.00113112
-0.01276075 0.02353367 0.01323620
0.96097427 0.45707782 -15.47384025
-0.00039935 0.00029727 -0.00027887
-0.00231805 0.00159397 0.00591859
2.55033642 -1.05590003 -17.31348940
0.00068761 0.00001425 -0.00078158
-0.00078534 -0.00257935 0.00635483
12.03826392 22.70854757 -22.64888747
-0.00025250 -0.00079922 0.00070836
0.01795866 0.06359891 0.01961846
9.76918179 21.09582429 -23.14138461
-0.00021016 0.00081283 0.00021658
0.01115210 -0.00491345 -0.00153645
-10.06871209 16.16893115 -17.00377332
0.00089482 -0.00003122 -0.00035251
0.01767082 0.01326108 -0.01098489
-10.81882943 14.92923122 -14.37119552
-0.00024553 0.00094132 -0.00028022
0.01647631 -0.00134185 0.02816398
2.76942660 18.49367729 11.31169652
-0.00028562 0.00095344 0.00087013
0.02751368 -0.01763769 -0.01044726
4.89263172 17.87439629 9.20217114
0.00048178 0.00021949 -0.00035859
-0.01244392 0.00068847 0.01869032
-3.78979096 -10.30879233 -3.02879175
-0.00048284 0.00020055 0.00057798
0.03413162 -0.02356166 -0.03489941
-1.52090067 -11.14121525 -1.84897494
0.00000177 -0.00060084 -0.00000606
0.02816180 -0.00878543 0.02826018
0.28528977 -6.86645754 4.74470274
-0.00057050 -0.00072416 0.00003197
-0.01111746 0.01242687 0.01741284
2.95981893 -8.11879787 4.38212039
-0.00088606 -0.00090961 0.00013444
-0.02334229 0.00407408 -0.00323518
8.54585547 2.05890527 9.62232748
-0.00139670 -0.00014549 -0.00083774
0.01160281 -0.00459758 -0.01291686
9.53878058 3.51235420 7.27674401
0.00034882 0.00051388 0.00002717
0.00213631 -0.01843776 0.01379220
-7.91736310 -9.00134053 -4.40711132
-0.00035818 0.00031898 0.00048862
-0.00112854 0.01383390 -0.02736857
-8.36393070 -10.16767119 -2.00702458
-0.00007958 -0.00023271 0.00035179
0.02128583 0.00195991 0.00249999
4.95995126 -13.67622695 -11.96642065
-0.00048718 0.00079505 -0.00018485
-0.00008780 -0.00732028 0.00081185
2.34184165 -13.24153227 -13.47062348
0.00016079 0.00037889 -0.00113000
-0.00923508 -0.00754785 0.00177429
1.34272387 -6.17393174 0.08179756
0.00016632 0.00008948 0.00000781
-0.00555780 0.03445359 -0.02142247
-0.13225542 -3.62827958 -0.15487358
-0.00005235 0.00045084 -0.00039850
-0.00242250 -0.00363217 0.00000107
17.52203975 3.56868650 25.82019095
-0.00014228 -0.00024043 0.00014028
-0.00031619 -0.00377074 -0.00122169
16.34329800 3.06994323 28.48324772
0.00090135 0.00103197 -0.00033175
0.00821212 0.02112596 -0.02632906
-10.97085382 7.41610180 -4.14833427
0.00019142 0.00047612 0.00009331
0.01336577 -0.02406263 0.00762268
-8.59271454 7.31459952 -5.66312621
-0.00022972 -0.00002208 0.00037781
0.00109841 -0.01996514 0.01798078
-6.40447748 16.17908234 -9.20173037
0.00009856 -0.00039643 0.00029417
0.00228144 -0.00568413 -0.00396773
-4.74413082 14.17618411 -10.78653927
-0.00011588 0.00025102 -0.00029357
-0.00425416 0.00623847 0.00271575
2.94981557 10.55715572 -6.06246233
-0.00029631 0.00093245 0.00058753
-0.00450476 -0.01552637 0.00995486
1.53099712 13.12974501 -6.70842690
0.00031231 -0.00036089 -0.00077719
-0.01422568 0.00469137 0.00358577
-2.79413894 10.94147872 -14.24304653
0.00078367 -0.00056499 -0.00003178
0.03066573 -0.01276738 -0.01008104
-5.47372444 10.48752189 -13.50941306
0.00079566 -0.00027767 0.00035642
-0.01287358 -0.00787258 0.00545745
3.99148259 7.97978857 19.10666481
0.00070412 -0.00031356 -0.00047413
0.00347029 -0.00716700 -0.00594647
1.97968604 7.14703491 17.25530202
0.00049653 0.00015282 0.00015242
-0.00753944 -0.00994691 0.00113652
-13.38998048 8.65459895 -8.43447770
-0.00077180 0.00022920 -0.00097300
-0.03034557 0.00659587 -0.02640194
-16.01550252 8.18665829 -7.57461779
-0.00090010 0.00035112 0.00021141
-0.01618176 -0.00030507 0.00491199
5.28476948 10.20625727 0.25544617
-0.00089250 -0.00074372 -0.00058587
-0.00548079 0.00676661 0.01843372
2.39330932 9.38232696 1.55328144
0.00000066 0.00043925 -0.00112549
-0.02102313 0.02026104 0.02448205
14.29682102 -23.98872434 -25.46447679
0.00019498 0.00052989 -0.00019432
0.00190280 -0.00116059 -0.01035305
14.97862282 -23.65485026 -28.27884253
0.00030533 -0.00109347 0.00074228
-0.00074731 -0.00246267 -0.00017131
4.69270367 3.36577797 -1.08214865
-0.00038504 0.00065533 0.00084743
0.00202390 -0.00135082 0.00550849
4.80958862 5.83504768 0.21350630
-0.00005754 -0.00018918 0.00028642
0.01884272 -0.00731424 0.01078362
16.92797796 -3.67888358 -0.50313542
0.00029827 0.00031308 0.00032180
0.01131631 -0.02606526 0.01114729
16.73361338 -6.68829503 -0.84044979
-0.00051288 -0.00041136 -0.00009039
-0.00308587 0.02624897 0.01780417
-5.89519783 3.00708186 -1.69550325
-0.00170961 -0.00082054 0.00013036
-0.04726387 0.02463305 0.03342358
-5.16419317 0.91217170 -3.40518795
-0.00065571 -0.00035134 -0.00110773
0.00727306 0.00483966 -0.00427181
2.58830799 2.93420267 -11.27512162
0.00062405 0.00027335 -0.00017486
-0.02438773 -0.01097807 -0.00057765
-0.15726011 1.69311490 -10.66159066
-0.00092887 -0.00027566 0.00088364
-0.00659427 -0.01703531 0.03252923
16.72592093 7.64375647 -8.06462976
0.00100264 -0.00013256 0.00080895
0.02346836 0.01344307 -0.00291553
16.27293444 10.65392495 -7.23342887
-0.00069973 -0.00045879 0.00038215
0.01460545 0.00197951 -0.00216123
-6.48533481 0.40469999 10.93951332
-0.00027660 -0.00012248 0.00083512
-0.00029077 0.00753721 0.01485127
-7.87233139 1.88092655 13.16041436
-0.00075596 0.00068194 0.00115542
0.02008884 -0.02190211 0.00228427
-2.13564263 -16.59894957 13.95014611
0.00030193 -0.00154251 0.00023059
-0.01179318 0.01799858 -0.00468791
-4.40641364 -17.81925478 12.60860944
-0.00111003 -0.00075460 -0.00000424
0.01454337 0.02475093 -0.00510306
7.11592541 -6.37678227 -4.27959156
-0.00058559 0.00033360 -0.00008898
-0.00911832 0.00156812 0.01451268
5.58189126 -8.18899218 -6.21751064
-0.00048088 0.00040144 -0.00047304
0.00327594 0.00646775 0.01573751
-2.86691265 -11.61419470 2.36630557
0.00028745 0.00039195 -0.00040087
0.01290909 0.00127438 -0.00339485
-0.19670041 -10.33361976 2.75539761
0.00006680 0.00018678 -0.00060068
-0.01271810 -0.00480984 -0.01194365
-14.83904400 -0.94200622 5.72464787
0.00000882 -0.00043486 -0.00067973
-0.00542361 0.00139751 0.00885337
-16.07563074 -1.76104035 3.33672996
0.00047242 -0.00030764 0.00084839
0.00364346 -0.00065090 -0.02461336
-9.58462254 4.88442828 -23.11477934
0.00014797 -0.00028801 -0.00011294
0.00046840 -0.00018043 -0.00631775
-9.00158815 4.66341419 -20.35713401
-0.00000035 -0.00083261 -0.00109706
0.00146458 0.01250907 0.02390721
1.85997982 1.37793679 -3.05072900
-0.00057897 -0.00070491 0.00106923
-0.00097966 -0.00105783 -0.03014565
0.61803222 0.49615506 -0.57790261
-0.00023178 -0.00052152 -0.00080433
0.03571055 0.02002040 -0.01242347
13.81821926 9.75333382 3.82240587
-0.00019692 -0.00093168 -0.00090540
0.00129048 -0.00703641 0.00529210
11.36280685 9.48056319 2.48425057
0.00008631 -0.00046876 -0.00014012
0.01087395 -0.02417146 0.02173407
5.46067336 -9.08863030 -10.62411869
-0.00007072 -0.00025774 0.00013425
-0.00177186 0.00292266 -0.00280920
-13.03031934 10.42935367 21.17636375
0.00000053 -0.00003583 0.00013739
0.00978524 0.00126477 -0.00314453
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06814711
0.31206382
415.80939309
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3790766054 (a.u.)
total exchange computation time: 3.3410201073 s
-154.1693457114
-931.37865596
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.060 s
total exchange = -52.3788431471 (a.u.)
total exchange computation time: 3.3419070244 s
-154.1725454780
Anderson extrapolation: theta=1.3467876423 (1.3467876423)
-931.37891050
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3784301336 (a.u.)
total exchange computation time: 3.3427140713 s
-154.1775360483
Anderson extrapolation: theta=0.0529654298 (0.0529654298)
-931.37906396
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3783274804 (a.u.)
total exchange computation time: 3.3409090042 s
-154.1783943391
Anderson extrapolation: theta=1.9952626323 (1.9952626323)
-931.37907027
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.053 s
total exchange = -52.3780954897 (a.u.)
total exchange computation time: 3.3403260708 s
-154.1802179097
Anderson extrapolation: theta=0.2303220814 (0.2303220814)
-931.37907742
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.061 s
total exchange = -52.3780333116 (a.u.)
total exchange computation time: 3.3422160149 s
-154.1806128567
Anderson extrapolation: theta=1.8637241240 (1.8637241240)
-931.37907890
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.060 s
total exchange = -52.3779364668 (a.u.)
total exchange computation time: 3.3425259590 s
-154.1811305819
Anderson extrapolation: theta=0.2718868696 (0.2718868696)
-931.37908080
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.055 s
total exchange = -52.3779298008 (a.u.)
total exchange computation time: 3.3432409763 s
-154.1810674502
Anderson extrapolation: theta=1.2812669641 (1.2812669641)
-931.37908125
238.204726 -12.549880 289.990796
-141.869667 489.687193 -804.640140
96.335059 477.137313 -514.649344
708.381540
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.055 s
total exchange = -52.3779359762 (a.u.)
total exchange computation time: 3.3177499771 s
679.02619981
-1083.75872985
89.66702419
-389.10683926
-174.82880056
78.31415348
551.60419304
0.00000000
-931.37908164
-8.77508023 -3.85071625 3.40562590
-0.00013226 -0.00024488 0.00061558
-0.02928379 0.02161485 0.00074032
-17.88287749 4.60296469 6.59297689
0.00017458 -0.00021685 -0.00014699
0.00196286 -0.02209672 -0.02085584
-15.65706228 -0.93980305 0.55855431
0.00034005 0.00026794 -0.00002313
0.03105233 0.03514645 0.00659750
3.45828410 -20.68928805 15.68277206
-0.00028886 -0.00010199 -0.00020845
-0.01156381 -0.00875172 -0.00540445
7.44567629 15.90160192 -1.33317545
0.00028181 0.00012877 -0.00014972
0.00746671 0.00662607 0.02603940
-9.77103961 9.65884043 11.12743026
-0.00019768 -0.00011727 0.00009623
0.00055736 -0.02582426 -0.02766669
-8.11775844 -0.59244152 -14.14427334
-0.00036315 0.00029534 -0.00022273
-0.03055314 -0.02860127 -0.02604489
-10.82124121 2.22153433 -7.21135387
-0.00005770 0.00028525 0.00050914
-0.01620204 -0.04343788 -0.03791234
-0.20609318 -5.74659316 15.12596067
-0.00017309 -0.00002502 0.00013733
-0.01687707 0.00119773 0.00680646
-25.40657131 -0.58213285 -20.79682970
-0.00044431 -0.00022616 0.00007952
0.00734915 -0.01213883 0.01612656
8.87378607 7.50769643 7.85265322
-0.00004027 0.00002559 -0.00003162
0.00632469 0.00039838 0.00183964
20.75578118 28.79303651 -4.88262212
0.00001215 -0.00010641 -0.00025210
0.01694415 -0.03333259 -0.01325468
7.75137790 -1.59069224 -7.19541051
-0.00004946 0.00023381 -0.00004725
0.02740494 -0.00755098 -0.00580134
-9.44288675 -3.53436916 13.26431890
0.00047917 0.00012420 0.00042394
0.00637980 -0.03082854 0.00767558
-1.34404402 -22.74770015 13.87277938
0.00022206 -0.00005700 0.00008832
-0.01090228 -0.01157091 0.01194469
-11.07719468 -8.67979517 -8.32059255
0.00004469 -0.00005290 0.00022929
-0.04054280 -0.05099382 0.06108489
-15.94745580 -8.53363396 -15.54682520
0.00017744 0.00005084 0.00010429
-0.00654251 -0.02248788 -0.00428451
16.51742426 12.61531999 3.52513151
0.00041895 0.00026915 0.00008987
0.00217723 -0.00006686 -0.00427494
20.29459389 -4.58927328 -14.72772019
-0.00022756 0.00015444 -0.00006676
0.03417995 -0.00349165 -0.00330303
-0.61953800 8.16092891 -14.83946309
0.00033759 -0.00005718 -0.00011687
0.00074841 -0.03297904 -0.00127303
0.79152933 -0.84926095 -16.75171390
-0.00027854 0.00027009 -0.00027141
0.00863025 0.00470064 -0.00478951
11.64283634 21.08587598 -23.11146156
0.00049231 -0.00021834 -0.00018330
-0.03343637 -0.06316032 -0.01640793
-11.26159519 15.19780493 -16.05584099
-0.00006244 0.00012939 -0.00041016
-0.03180890 -0.01426656 -0.01751203
4.35457707 17.51974968 10.94908613
0.00034273 0.00018911 -0.00040117
-0.02008189 0.01720579 -0.00880955
-2.05965868 -11.11789246 -3.56700632
-0.00014075 -0.00004251 -0.00011230
-0.06190581 0.04039250 0.01198102
1.19055659 -8.02337167 3.70941475
0.00014222 -0.00033232 0.00011778
0.04090300 -0.00134533 -0.00170951
9.60392719 1.81858561 8.11991170
0.00008045 0.00024534 0.00027903
-0.01531334 0.02755503 -0.00569800
-6.92218596 -9.43618729 -2.98913743
0.00016621 0.00031886 -0.00023595
-0.02907876 -0.01197367 0.03451870
3.93139405 -12.53630648 -12.93788766
-0.00001541 0.00022016 -0.00010237
0.00089924 0.02057120 -0.00969164
1.13693055 -4.61283338 -1.02381458
0.00012533 0.00004749 0.00024913
0.00561988 -0.03058111 0.01941615
16.87180221 4.43398685 27.26443059
0.00031793 0.00005037 -0.00023678
-0.00873773 -0.01410583 0.02829098
-9.58961581 6.14688926 -4.48876814
0.00002442 -0.00039758 0.00008443
-0.01901265 0.05448021 -0.01229488
-5.06977834 14.92041093 -9.13279212
0.00030578 0.00004565 -0.00030645
0.00677937 -0.00212393 0.00538228
3.05665539 12.17284354 -6.82578415
-0.00016233 -0.00003395 -0.00000598
0.02227113 0.01783098 -0.02039439
-4.27032055 11.81032869 -13.77067033
0.00011083 0.00035891 0.00002970
-0.01568181 0.01708336 0.00774908
3.81996681 7.19606915 17.42250720
0.00011215 0.00008166 -0.00006391
-0.00005934 0.01171049 0.00261792
-15.19074065 8.80953154 -9.07712926
-0.00023911 -0.00018154 -0.00007986
0.04157452 -0.00888334 0.02754940
3.73289374 9.23601985 0.43017813
0.00005609 0.00031833 0.00041240
0.02851389 -0.04073908 -0.05465374
15.74206793 -24.00670152 -26.65642792
0.00022415 -0.00004644 -0.00017432
-0.00471278 -0.00142928 0.02272012
5.81711975 4.24506143 0.07929441
-0.00018410 -0.00024788 0.00017907
-0.00905925 0.01644981 -0.00263005
17.04567416 -5.30597778 0.43869966
0.00030339 0.00014642 -0.00022830
-0.00029554 -0.00377403 -0.04005605
-4.56439484 2.54382629 -2.69937061
-0.00010910 -0.00012209 0.00034126
0.03447773 -0.02181266 -0.02507094
0.93349434 2.34959300 -11.87508451
-0.00009183 0.00021355 0.00000383
0.02946173 0.02179510 -0.03625966
15.58356831 9.00410801 -7.48729657
-0.00039931 -0.00016057 0.00018545
-0.02755832 -0.01702778 0.00813518
-6.24082264 0.94017728 12.73580669
-0.00030693 -0.00007678 0.00003882
-0.02705538 0.02170422 -0.01524398
-3.46048986 -16.15456958 12.69503993
-0.00012753 0.00028433 0.00038134
-0.00623068 -0.05817444 0.00317534
7.01635605 -7.01032349 -5.98706186
0.00014886 0.00020523 -0.00043341
0.00314656 0.00174379 -0.03246037
-1.15430967 -11.52998216 1.63348563
0.00009810 -0.00005224 -0.00032219
-0.00720876 -0.00665643 0.00464241
-16.34640425 -1.78065072 5.13236857
0.00037919 0.00007606 0.00036200
-0.00304851 -0.00560601 0.03473914
-9.03167466 3.67798313 -21.85873919
-0.00029801 -0.00034939 -0.00038006
0.00186802 -0.01183408 -0.02159461
2.21510025 1.27391071 -1.31132753
-0.00000063 -0.00007034 -0.00001497
-0.04705623 -0.02691387 0.04376429
12.40226360 8.57824531 3.84805735
0.00024035 -0.00014056 -0.00000168
-0.01876125 0.02777435 -0.03412970
-7.29500392 -4.11220004 2.33309989
0.00054829 0.00025521 -0.00090854
-0.00442741 -0.00796464 -0.00335418
-10.09597068 -2.96865521 2.35080604
0.00017342 -0.00180505 -0.00061097
0.03079285 -0.01267283 0.01036409
-16.72394926 5.94262653 6.92276340
-0.00053906 -0.00082667 0.00010992
0.01182890 0.01454502 0.00496372
-17.02226325 3.66906079 5.22456387
-0.00029608 -0.00062334 -0.00054528
-0.01398585 0.00984937 0.01344355
-15.92120779 0.96642572 0.68608999
-0.00113293 -0.00084971 -0.00057918
-0.00204549 -0.03076616 -0.00564806
-17.04632376 -1.70263307 -0.24843445
-0.00091547 -0.00062692 -0.00026966
-0.02571552 -0.00143210 -0.01899673
1.78209055 -21.03696730 14.94633668
-0.00001393 0.00122767 0.00018513
0.01058919 0.00044247 0.00395961
3.71529965 -18.89894421 15.69948486
-0.00157640 0.00035968 -0.00015423
-0.00144601 0.01083201 0.00287227
8.39122358 14.29201491 -1.30633744
-0.00037662 0.00020669 -0.00001800
-0.00552790 0.00117298 0.00788839
7.60716905 16.66137632 0.35375012
-0.00050803 -0.00045400 0.00082759
0.00018391 -0.00907779 -0.01986168
-8.49823271 9.14627184 12.37167306
0.00071046 0.00052790 0.00023013
-0.00195339 0.00776912 0.00375225
-10.49815695 11.17890755 11.75820948
-0.00018083 -0.00056980 -0.00120213
-0.00518154 0.01019886 0.01248722
-9.88969901 0.15950018 -14.31541641
0.00029548 -0.00050004 -0.00104340
0.02825931 -0.00541620 0.00927403
-8.29778333 -2.19888145 -15.20797220
-0.00008353 0.00023748 0.00013992
0.00815846 0.03813425 0.01666869
-12.31117526 1.07498945 -6.98086207
0.00017724 0.00012935 -0.00052306
0.02852482 0.01875234 0.00361709
-10.59489935 3.51208887 -6.00141774
-0.00084206 0.00015660 0.00027394
-0.00434525 0.02318953 0.02600790
-1.94848041 -6.06030447 14.49118291
0.00032607 -0.00004132 0.00043765
0.01255643 -0.00528643 0.00689371
-0.28242333 -5.74459383 16.97670241
-0.00030805 0.00028310 0.00093424
-0.00093503 0.00062409 -0.00861616
-24.85276061 -0.51801298 -19.02711788
-0.00025530 -0.00023549 0.00093343
0.00149856 0.00319929 -0.01591835
-25.61279656 1.08985597 -21.45649331
-0.00002346 0.00030582 -0.00042433
-0.00028852 0.00859205 -0.00695043
9.50285448 8.76794253 6.66895724
-0.00025811 -0.00014788 0.00062870
0.00399712 -0.01170762 -0.00188498
10.10637722 7.67308233 9.23420897
0.00001796 0.00051835 -0.00033289
-0.00483131 0.00417740 -0.00397626
19.78006994 27.44104394 -4.12735872
0.00017107 0.00038452 -0.00006351
-0.00288812 -0.00125216 0.00614855
20.12002847 30.41492629 -4.32470549
-0.00001108 0.00028984 0.00011835
-0.00713270 0.01829916 0.00633209
6.42230474 -0.44074178 -6.85989046
-0.00004162 -0.00121737 -0.00032842
-0.02617058 0.00804893 0.00231991
7.06720080 -3.28120641 -7.23558469
0.00045945 -0.00065978 0.00003605
-0.00618394 -0.00514348 0.00211556
-8.59725561 -2.37751195 12.19643643
-0.00070707 -0.00013885 0.00062710
-0.00175458 0.01733444 -0.01188377
-11.08824494 -2.92439597 13.70593974
-0.00085723 -0.00034484 -0.00096778
-0.00790137 0.01232145 -0.00049310
-1.48765947 -24.38409993 14.78150048
0.00014260 0.00020733 0.00103881
0.00915263 0.01511709 -0.01321948
-3.08716687 -22.25645313 13.48128884
-0.00005603 0.00064173 0.00054504
0.00338529 -0.00156840 0.00751841
-12.18634751 -7.69222145 -7.16874700
-0.00042873 0.00013145 0.00095813
-0.01193076 -0.02202684 -0.00023086
-10.48256014 -7.39154958 -9.20732513
0.00017455 -0.00011321 -0.00021210
0.04823873 0.07824697 -0.05819604
-16.18955128 -10.40616895 -15.59273990
-0.00042036 -0.00073290 -0.00108061
0.00711166 0.02761431 0.00361071
-14.23782229 -8.05906569 -16.16074040
0.00004846 -0.00010951 -0.00008275
-0.00734844 -0.00557766 0.00246902
16.83873340 12.63075529 5.34174324
0.00067408 0.00030987 0.00037498
0.00375323 0.00317033 -0.00133869
17.41627918 14.04335775 2.78862615
-0.00025198 -0.00017153 -0.00024121
-0.00798737 -0.00327799 0.00746167
18.60402318 -4.10922887 -15.08164690
-0.00030991 -0.00078752 0.00034710
-0.00651105 0.00955016 -0.00635976
21.54732622 -3.29276724 -15.39944170
-0.00112615 -0.00024968 0.00031979
-0.02742375 -0.00768703 0.00690222
-1.76428146 7.28683809 -13.65754867
0.00098379 0.00031190 0.00016884
0.01303989 0.00231314 -0.00817543
0.15890959 6.73646020 -15.81593895
0.00009961 0.00077029 -0.00107664
-0.01285760 0.02235301 0.01343278
0.95491298 0.46158569 -15.47784190
-0.00040781 0.00030348 -0.00025513
-0.00182295 0.00144523 0.00570092
2.56062653 -1.05576534 -17.32501834
0.00067005 0.00000627 -0.00074979
-0.00781372 -0.00132411 0.00920568
12.03502669 22.69850815 -22.63766085
-0.00017555 -0.00053241 0.00079139
0.01970980 0.06700785 0.02102194
9.76637113 21.10786612 -23.13818294
-0.00015673 0.00079026 0.00020975
0.01500226 -0.00613445 -0.00180683
-10.05474835 16.16886923 -17.00939765
0.00096088 0.00001868 -0.00039394
0.01466572 0.01116196 -0.00929562
-10.82200754 14.94330988 -14.37453585
-0.00017911 0.00093569 -0.00016483
0.01603635 -0.00141462 0.02832274
2.76598546 18.50743847 11.32442835
-0.00016190 0.00087480 0.00082279
0.03304505 -0.02085942 -0.01272773
4.89947714 17.87770973 9.19736496
0.00042977 0.00022323 -0.00028268
-0.01301788 0.00114313 0.01846773
-3.79598771 -10.30650614 -3.02119147
-0.00034006 0.00010275 0.00043372
0.03576386 -0.02431127 -0.03571520
-1.52001112 -11.15049701 -1.84819982
0.00011540 -0.00063646 0.00010590
0.02746178 -0.00865459 0.02654522
0.27639165 -6.87693916 4.74571590
-0.00061427 -0.00067447 0.00010231
-0.01030957 0.01189912 0.01701711
2.94581276 -8.13231712 4.38403788
-0.00097089 -0.00089252 0.00012552
-0.01818092 0.00429036 -0.00113399
8.52526050 2.05658200 9.60936562
-0.00134991 -0.00016369 -0.00088886
0.01130005 -0.00430838 -0.01211095
9.54407833 3.51949736 7.27757424
0.00035729 0.00043522 0.00008558
0.00201109 -0.02006519 0.01479756
-7.92277032 -8.99613198 -4.40062068
-0.00036527 0.00037679 0.00037292
-0.00234513 0.01446849 -0.02926585
-8.36447212 -10.17110180 -2.00167116
0.00001347 -0.00022150 0.00035749
0.02426012 0.00352561 0.00028950
4.95264094 -13.66452544 -11.96916847
-0.00048158 0.00075754 -0.00017585
0.00282422 -0.01104232 0.00359374
2.34397044 -13.23608015 -13.48751912
0.00012473 0.00034815 -0.00112157
-0.00841411 -0.00750202 0.00235356
1.34504840 -6.17153383 0.08125819
0.00014307 0.00022884 -0.00007767
-0.00582295 0.03376407 -0.02041786
-0.13311491 -3.62162834 -0.16085107
-0.00006187 0.00043475 -0.00039779
-0.00223864 -0.00424230 0.00034701
17.51989590 3.56496450 25.82225778
-0.00014146 -0.00025800 0.00013060
0.00071454 -0.00483168 -0.00351843
16.35706984 3.08607020 28.47746471
0.00093108 0.00110990 -0.00043119
0.00634336 0.01702084 -0.02234971
-10.96757292 7.42250629 -4.14670107
0.00024830 0.00037380 0.00012430
0.01447618 -0.02602448 0.00754728
-8.59612672 7.31365655 -5.65690802
-0.00022343 -0.00010404 0.00044946
0.00198318 -0.02015693 0.01709115
-6.40292910 16.17296165 -9.19743935
0.00010584 -0.00041765 0.00027761
0.00127919 -0.00470035 -0.00414245
-4.74599936 14.18014059 -10.79085956
-0.00013272 0.00027536 -0.00028448
-0.00399203 0.00567769 0.00173351
2.94523285 10.57066675 -6.05334435
-0.00031515 0.00086009 0.00063242
-0.00471865 -0.01989673 0.01201776
1.53524584 13.12447545 -6.71997488
0.00024554 -0.00033594 -0.00076181
-0.01845916 0.00752239 0.00394080
-2.78144424 10.93261264 -14.24383213
0.00089361 -0.00060696 -0.00006823
0.02315068 -0.00777755 -0.00776050
-5.46218395 10.48311557 -13.50389958
0.00074270 -0.00030829 0.00037866
-0.01305122 -0.00711659 0.00543330
4.00215075 7.97486552 19.09937068
0.00071870 -0.00034040 -0.00049309
0.00366661 -0.00596826 -0.00333519
1.98690302 7.14902238 17.25762315
0.00046040 0.00011229 0.00015658
-0.01014660 -0.00989328 0.00089901
-13.40248740 8.65823903 -8.44988176
-0.00088695 0.00025448 -0.00107602
-0.02602131 0.00578151 -0.02402800
-16.02949982 8.19191576 -7.57129605
-0.00096152 0.00035160 0.00022676
-0.01388599 0.00054030 0.00260047
5.27121406 10.19530878 0.24722296
-0.00090011 -0.00070486 -0.00051129
0.00175357 0.01225687 0.01807654
2.39267506 9.38953661 1.53714934
-0.00009855 0.00052474 -0.00101485
-0.02754489 0.02158415 0.02967364
14.29980403 -23.98081155 -25.46770886
0.00020300 0.00052464 -0.00023554
0.00202203 -0.00140972 -0.00982615
14.98317984 -23.67132777 -28.26771364
0.00029577 -0.00110054 0.00072565
-0.00393258 -0.00099721 -0.00796957
4.68699016 3.37556659 -1.06926843
-0.00038242 0.00064339 0.00086240
-0.00074449 -0.00449730 0.00181877
4.80930299 5.83198588 0.21813307
0.00002004 -0.00021833 0.00033108
0.01913095 -0.00695566 0.01107547
16.93279881 -3.67498609 -0.49796690
0.00034450 0.00020803 0.00036486
0.01131263 -0.02535818 0.00993202
16.72582561 -6.69366102 -0.84126008
-0.00052461 -0.00029994 -0.00001587
-0.00265707 0.02828837 0.01867619
-5.92229027 2.99552857 -1.69252367
-0.00188644 -0.00072576 0.00025452
-0.03929413 0.02176248 0.02735272
-5.17380597 0.90704997 -3.42193484
-0.00062182 -0.00032296 -0.00112072
0.00931704 0.00905160 -0.00208815
2.59692149 2.93796654 -11.27776223
0.00051743 0.00022590 -0.00017872
-0.02780372 -0.01225064 -0.00131183
-0.17139530 1.68845805 -10.64733925
-0.00093880 -0.00033598 0.00099902
0.00173631 -0.01249228 0.02394775
16.74167972 7.64218006 -8.05258478
0.00109283 -0.00007365 0.00079875
0.02067905 0.01539107 -0.00208213
16.26288608 10.64710371 -7.22776292
-0.00063830 -0.00044450 0.00037486
0.01546407 0.00501972 -0.00140315
-6.48949270 0.40309381 10.95249517
-0.00027988 -0.00009330 0.00088722
-0.00131468 0.00674499 0.01065205
-7.88305526 1.89048456 13.17781563
-0.00066759 0.00058721 0.00116133
0.02317208 -0.02447145 0.00060735
-2.13147510 -16.62153573 13.95346126
0.00024864 -0.00146568 0.00020659
-0.01429034 0.01961208 -0.00705924
-4.42261846 -17.82981539 12.60838954
-0.00104410 -0.00064118 -0.00002455
0.01773249 0.03076905 -0.00484091
7.10686216 -6.37173022 -4.28048156
-0.00062243 0.00033852 -0.00003430
-0.00891535 0.00084088 0.01225415
5.57477839 -8.18277233 -6.22412405
-0.00046393 0.00043004 -0.00040893
0.00502458 0.00752985 0.01564778
-2.86220531 -11.60827640 2.36018855
0.00033667 0.00039661 -0.00041344
0.01118318 0.00100836 -0.00275841
-0.19608812 -10.33096541 2.74602139
0.00001567 0.00016751 -0.00064892
-0.01231044 -0.00462605 -0.01167067
-14.83907786 -0.94848634 5.71472326
-0.00000181 -0.00042241 -0.00063726
0.00021893 0.00469774 0.01193231
-16.06843277 -1.76567485 3.34870164
0.00048689 -0.00031107 0.00074116
0.00344110 -0.00102874 -0.02787600
-9.58238865 4.88010263 -23.11666709
0.00014832 -0.00028638 -0.00014234
-0.00029529 0.00097831 -0.00807111
-9.00154849 4.65130836 -20.37285724
0.00000621 -0.00077400 -0.00098644
0.00174361 0.01618186 0.03023851
1.85126517 1.36733078 -3.03561435
-0.00058434 -0.00070711 0.00092785
-0.00164709 -0.00002280 -0.03905798
0.61564977 0.48894580 -0.59034822
-0.00008549 -0.00043942 -0.00085163
0.03590081 0.02016612 -0.01073160
13.81530497 9.73914295 3.80898709
-0.00018148 -0.00095256 -0.00088296
0.00627032 -0.00318186 0.00569199
11.36443467 9.47279112 2.48281482
0.00013015 -0.00056736 -0.00005104
0.01058856 -0.02409422 0.02186795
5.45960785 -9.09248857 -10.62211254
-0.00007132 -0.00025667 0.00013318
-0.00157355 0.00305857 -0.00314511
-13.03029430 10.42881835 21.17841910
0.00000282 -0.00003555 0.00013664
0.00994165 0.00122750 -0.00330432
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06815589
0.31092575
414.29297224
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3812835505 (a.u.)
total exchange computation time: 3.3128030300 s
-154.1827019504
-931.37767617
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.3810276513 (a.u.)
total exchange computation time: 3.3154649734 s
-154.1861617619
Anderson extrapolation: theta=1.3420281338 (1.3420281338)
-931.37792894
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3805936450 (a.u.)
total exchange computation time: 3.3143191338 s
-154.1914814873
Anderson extrapolation: theta=0.0500842421 (0.0500842421)
-931.37807967
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3804978547 (a.u.)
total exchange computation time: 3.3122339249 s
-154.1923381698
Anderson extrapolation: theta=1.8934299119 (1.8934299119)
-931.37808528
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3802911312 (a.u.)
total exchange computation time: 3.3134520054 s
-154.1940885442
Anderson extrapolation: theta=0.2154602309 (0.2154602309)
-931.37809114
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.055 s
total exchange = -52.3802377205 (a.u.)
total exchange computation time: 3.3134870529 s
-154.1944641982
Anderson extrapolation: theta=1.9094049542 (1.9094049542)
-931.37809228
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.055 s
total exchange = -52.3801526349 (a.u.)
total exchange computation time: 3.3129780293 s
-154.1949859664
Anderson extrapolation: theta=0.2816850640 (0.2816850640)
-931.37809381
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3801464482 (a.u.)
total exchange computation time: 3.3144261837 s
-154.1949449032
Anderson extrapolation: theta=1.3117643701 (1.3117643701)
-931.37809418
238.157880 -12.652502 290.039342
-141.916854 489.674360 -804.670141
96.241026 477.021858 -514.630799
708.277522
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3801519063 (a.u.)
total exchange computation time: 3.2918379307 s
679.05616608
-1083.83460604
89.67058687
-389.05499735
-174.83509216
78.35895554
551.60419304
0.00000000
-931.37809450
-8.77717705 -3.85430612 3.41486241
-0.00014497 -0.00023426 0.00061424
-0.02016864 0.01971083 -0.00595052
-17.88025130 4.59962675 6.59069158
0.00017443 -0.00022979 -0.00015830
-0.00252443 -0.02822627 -0.02312205
-15.65184178 -0.93564830 0.55823282
0.00035318 0.00028332 -0.00002148
0.02002318 0.02465796 -0.00019460
3.45390662 -20.69085160 15.67962439
-0.00029405 -0.00010524 -0.00021094
-0.00863211 -0.00391867 -0.00427308
7.44993226 15.90355902 -1.33532087
0.00028536 0.00013307 -0.00013548
0.00632052 0.01010960 0.02933399
-9.77400261 9.65698174 11.12876693
-0.00019615 -0.00013220 0.00008192
0.00538015 -0.03223989 -0.02797777
-8.12332350 -0.58812181 -14.14771483
-0.00037787 0.00028029 -0.00023597
-0.02671100 -0.02991249 -0.02541730
-10.82216916 2.22564547 -7.20386299
-0.00006559 0.00026269 0.00048907
-0.01448118 -0.04429101 -0.04013578
-0.20875458 -5.74696384 15.12804686
-0.00018093 -0.00002421 0.00014259
-0.01361201 0.00195806 0.01365778
-25.41320755 -0.58557206 -20.79557464
-0.00044028 -0.00023126 0.00008867
0.00830275 -0.00771604 0.01945131
8.87320642 7.50808183 7.85218599
-0.00003743 0.00002512 -0.00003010
0.00473750 -0.00221778 0.00407675
20.75602881 28.79131179 -4.88645471
0.00002092 -0.00012225 -0.00025880
0.01713755 -0.02825246 -0.01282319
7.75074171 -1.58721418 -7.19614159
-0.00003434 0.00022738 -0.00005063
0.03139729 -0.01747657 -0.00737133
-9.43567455 -3.53262501 13.27070764
0.00048008 0.00010787 0.00042938
-0.00287043 -0.03269947 0.01345621
-1.34075515 -22.74859973 13.87415033
0.00021585 -0.00006289 0.00009453
-0.01325245 -0.01135424 0.01218136
-11.07668064 -8.68078541 -8.31691753
0.00002374 -0.00007751 0.00026068
-0.04095616 -0.04469980 0.06096360
-15.94481938 -8.53295816 -15.54527745
0.00017369 0.00003796 0.00010203
-0.00805117 -0.02756716 -0.00446928
16.52371697 12.61935693 3.52646312
0.00041966 0.00026828 0.00008852
0.00055261 -0.00332144 -0.00096868
20.29131234 -4.58697017 -14.72873430
-0.00021039 0.00015160 -0.00006790
0.03258831 -0.00754632 -0.00114598
-0.61447122 8.15994407 -14.84122097
0.00033825 -0.00007319 -0.00011782
0.00182708 -0.02930137 -0.00243662
0.78738452 -0.84519142 -16.75580354
-0.00027259 0.00027228 -0.00027442
0.01449601 0.00381804 -0.00691489
11.65009198 21.08235720 -23.11427428
0.00047404 -0.00025060 -0.00019181
-0.03759716 -0.06226674 -0.01671373
-11.26265445 15.19969070 -16.06206096
-0.00007779 0.00012259 -0.00041932
-0.02788373 -0.01218169 -0.01808947
4.35964058 17.52265264 10.94303458
0.00033134 0.00019845 -0.00040496
-0.02421390 0.01914192 -0.00593189
-2.06200865 -11.11837430 -3.56864461
-0.00017248 -0.00002176 -0.00010533
-0.06151486 0.04030642 0.01513843
1.19284765 -8.02836162 3.71117486
0.00016135 -0.00033268 0.00011651
0.03349187 -0.00008114 -0.00321084
9.60507482 1.82237199 8.12407518
0.00007267 0.00025975 0.00027564
-0.01493981 0.02847537 -0.00750572
-6.91980492 -9.43145060 -2.99254351
0.00015080 0.00031225 -0.00021742
-0.03085418 -0.01371173 0.03754355
3.93116632 -12.53292466 -12.93946057
-0.00001599 0.00023153 -0.00010819
-0.00315129 0.02362977 -0.01296514
1.13883220 -4.61223894 -1.02000280
0.00012819 0.00003234 0.00025864
0.00551196 -0.02836393 0.01759367
16.87653748 4.43468803 27.26098807
0.00031375 0.00004463 -0.00022295
-0.00753755 -0.00823987 0.02549330
-9.58932292 6.14113569 -4.48754915
0.00001420 -0.00036920 0.00007845
-0.02072763 0.05587364 -0.01095951
-5.06516552 14.92108741 -9.13736813
0.00030945 0.00004446 -0.00030337
0.00748484 -0.00247198 0.00661492
3.05430640 12.17240300 -6.82595246
-0.00014992 -0.00002445 -0.00001694
0.02596728 0.01913359 -0.02224662
-4.26871853 11.81577817 -13.77019495
0.00010476 0.00036605 0.00003302
-0.00794023 0.01068046 0.00514708
3.82164889 7.19733924 17.42155864
0.00011267 0.00008733 -0.00006326
0.00208054 0.01032482 -0.00010482
-15.19416691 8.80677424 -9.07822093
-0.00021976 -0.00018609 -0.00006578
0.03368030 -0.00883950 0.02722785
3.73384511 9.24063761 0.43615333
0.00007010 0.00029565 0.00038354
0.02597366 -0.04744215 -0.05756450
15.74541205 -24.00740356 -26.65895515
0.00022254 -0.00004743 -0.00016083
-0.00157153 -0.00243756 0.02975841
5.81432338 4.24140673 0.08197039
-0.00018806 -0.00023867 0.00017855
-0.00634926 0.01936145 0.00059671
17.05022390 -5.30379600 0.43512063
0.00030306 0.00014385 -0.00024859
-0.00099153 -0.00621965 -0.03883512
-4.56589841 2.54191079 -2.69434843
-0.00009421 -0.00013346 0.00032965
0.02344015 -0.02241174 -0.02005587
0.93223057 2.35288036 -11.87516697
-0.00007813 0.00022383 -0.00001248
0.02380900 0.01818099 -0.02716271
15.57747243 9.00163381 -7.48448343
-0.00041287 -0.00017048 0.00018916
-0.02517391 -0.02152320 0.00629323
-6.24553089 0.93910925 12.73633012
-0.00032115 -0.00006474 0.00003266
-0.02825241 0.02512431 -0.00868291
-3.46242678 -16.15052908 12.70077221
-0.00013090 0.00025281 0.00038341
-0.00687322 -0.06436700 0.00488544
7.01860111 -7.00723837 -5.99368817
0.00015000 0.00020613 -0.00044923
0.00129077 0.00178834 -0.02905282
-1.15286592 -11.53079147 1.62867075
0.00009477 -0.00005571 -0.00032011
-0.00576855 -0.00683945 0.00344130
-16.34072815 -1.77953137 5.13793258
0.00037620 0.00007244 0.00037956
-0.00859039 -0.00848475 0.03353552
-9.03613764 3.67269667 -21.86452337
-0.00029698 -0.00035652 -0.00039211
0.00214818 -0.01591144 -0.02527485
2.21490929 1.27275178 -1.31138329
-0.00002455 -0.00008433 0.00000899
-0.04597102 -0.02748082 0.04942456
12.40579642 8.57624404 3.84790044
0.00022958 -0.00012741 -0.00001917
-0.02309505 0.02337757 -0.03386748
-7.28691517 -4.10861594 2.31936898
0.00051775 0.00022321 -0.00090984
-0.01052645 -0.00769829 0.00271832
-10.09242575 -2.99611926 2.34195909
0.00029434 -0.00185369 -0.00056821
0.02839874 -0.01113608 0.01056761
-16.73167276 5.93067226 6.92456434
-0.00048109 -0.00075744 0.00013188
0.01655208 0.01934126 0.00578623
-17.02713308 3.66001255 5.21679667
-0.00035363 -0.00058026 -0.00048743
-0.01418191 0.01123708 0.01487285
-15.93826447 0.95273737 0.67722921
-0.00114034 -0.00096522 -0.00060039
-0.00158238 -0.02577802 -0.00473613
-17.06084388 -1.71208069 -0.25306148
-0.00099847 -0.00062262 -0.00033457
-0.01490974 0.00353460 -0.01277495
1.78220612 -21.01853875 14.94923497
0.00002136 0.00122435 0.00019779
0.00668180 -0.00206637 0.00223900
3.69160935 -18.89321715 15.69725946
-0.00157968 0.00039889 -0.00014121
-0.00015781 0.00836249 0.00349933
8.38540493 14.29515121 -1.30636579
-0.00039633 0.00020682 0.00001397
-0.00412029 -0.00111122 0.00776118
7.59955417 16.65428821 0.36555531
-0.00050783 -0.00049367 0.00073941
-0.00008501 -0.01034340 -0.02330319
-8.48763571 9.15442839 12.37523992
0.00069753 0.00056125 0.00024188
-0.00437460 0.00855869 0.00200249
-10.50102813 11.17067314 11.74056023
-0.00020689 -0.00051676 -0.00114642
-0.00757668 0.01576427 0.01477968
-9.88440089 0.15183368 -14.33078316
0.00040338 -0.00051788 -0.00100495
0.02455747 -0.00331814 0.00954675
-8.29878621 -2.19415066 -15.20536258
-0.00004992 0.00039087 0.00020648
0.00829260 0.03694821 0.01591100
-12.30764256 1.07750428 -6.98859715
0.00029055 0.00020409 -0.00050726
0.02694015 0.01783388 0.00411991
-10.60766339 3.51514843 -5.99651173
-0.00085953 0.00025463 0.00038309
-0.00420451 0.02479959 0.02742498
-1.94320453 -6.06108620 14.49795893
0.00037033 -0.00006395 0.00046293
0.00910631 -0.00579374 0.00547947
-0.28707268 -5.74032816 16.99045192
-0.00031104 0.00028518 0.00088793
-0.00053028 0.00039410 -0.01404938
-24.85654411 -0.52144736 -19.01360426
-0.00025211 -0.00022226 0.00085727
0.00006088 0.00327893 -0.02135873
-25.61315731 1.09470663 -21.46307127
-0.00002355 0.00033166 -0.00044901
0.00024469 0.00405347 -0.00512994
9.49910536 8.76536555 6.67832993
-0.00023967 -0.00018916 0.00061383
0.00502621 -0.00849915 -0.00539139
10.10649854 7.68098556 9.22909381
-0.00000055 0.00053417 -0.00034639
-0.00423038 0.00356966 -0.00263362
19.78254755 27.44677341 -4.12812289
0.00015640 0.00037507 -0.00003609
-0.00429621 -0.00337624 0.00727140
20.11964373 30.41983466 -4.32273621
-0.00003756 0.00035885 0.00014155
-0.00582800 0.01547982 0.00502537
6.42087842 -0.45875566 -6.86474567
-0.00016039 -0.00117315 -0.00031596
-0.03196681 0.01359701 0.00377901
7.07390298 -3.29126068 -7.23497918
0.00043828 -0.00067197 0.00004481
-0.00417775 -0.00082711 0.00217347
-8.60791535 -2.37906352 12.20547879
-0.00070632 -0.00005888 0.00056911
0.00211858 0.02180990 -0.01650473
-11.10134549 -2.92919102 13.69140797
-0.00087847 -0.00029964 -0.00097201
-0.00249612 0.00980540 -0.00157977
-1.48523999 -24.38052676 14.79667752
0.00017962 0.00027101 0.00098285
0.00896838 0.01605391 -0.01417280
-3.08790363 -22.24687530 13.48969477
-0.00003860 0.00063295 0.00057670
0.00514661 -0.00272729 0.00798027
-12.19314406 -7.69092464 -7.15438216
-0.00047090 0.00003778 0.00094955
-0.00871030 -0.02382521 -0.00396712
-10.47846374 -7.39084997 -9.21228994
0.00036583 0.00019683 -0.00044223
0.04539741 0.07352022 -0.05445503
-16.19563876 -10.41631625 -15.60883845
-0.00038940 -0.00060996 -0.00106443
0.00804358 0.03256530 0.00430946
-14.23732052 -8.06087920 -16.16190594
0.00001979 -0.00013205 -0.00007328
-0.00668619 -0.00545704 0.00216313
16.84895968 12.63550046 5.34732692
0.00068855 0.00032273 0.00036525
0.00332733 0.00312544 -0.00342625
17.41225470 14.04068441 2.78523660
-0.00028043 -0.00017841 -0.00021324
-0.00593664 -0.00009357 0.00623360
18.59917506 -4.12074907 -15.07663525
-0.00034001 -0.00074734 0.00032037
-0.00822292 0.01011845 -0.00672370
21.52959357 -3.29674805 -15.39443328
-0.00123133 -0.00027425 0.00034428
-0.02406233 -0.00433955 0.00508127
-1.74912502 7.29158753 -13.65526660
0.00103406 0.00031737 0.00013832
0.01156803 0.00036220 -0.00676378
0.16000977 6.74869957 -15.83167695
0.00004754 0.00085810 -0.00102224
-0.01262980 0.02062859 0.01319920
0.94873998 0.46618212 -15.48149417
-0.00041426 0.00030887 -0.00023250
-0.00133597 0.00119575 0.00537561
2.57043778 -1.05571181 -17.33598311
0.00062515 0.00000328 -0.00070680
-0.01416348 -0.00013935 0.01183744
12.03299739 22.69257538 -22.62514589
-0.00009334 -0.00025871 0.00087818
0.02053418 0.06697011 0.02146273
9.76447991 21.11953199 -23.13509200
-0.00008873 0.00076273 0.00020173
0.01828547 -0.00733915 -0.00212027
-10.03988580 16.16949140 -17.01559166
0.00101381 0.00005951 -0.00042797
0.01124632 0.00882516 -0.00735834
-10.82420285 14.95730183 -14.37614039
-0.00011525 0.00093015 -0.00005159
0.01522790 -0.00129397 0.02710838
2.76456952 18.51992126 11.33638015
-0.00001791 0.00078433 0.00076662
0.03743919 -0.02342736 -0.01476568
4.90552476 17.88109323 9.19369060
0.00037591 0.00022899 -0.00020881
-0.01334461 0.00167577 0.01769306
-3.79999262 -10.30570989 -3.01578005
-0.00019219 0.00000274 0.00028695
0.03661760 -0.02464308 -0.03613314
-1.51743854 -11.16030918 -1.84579785
0.00022519 -0.00067134 0.00020867
0.02627748 -0.00841588 0.02376139
0.26686169 -6.88669153 4.74777197
-0.00065376 -0.00062813 0.00016993
-0.00902124 0.01078440 0.01608330
2.93069235 -8.14557343 4.38588587
-0.00103296 -0.00087480 0.00012586
-0.01220684 0.00438112 0.00130026
8.50535807 2.05399468 9.59566154
-0.00130483 -0.00018063 -0.00093622
0.01076917 -0.00398725 -0.01106828
9.54949934 3.52541080 7.27931136
0.00036518 0.00035112 0.00014743
0.00185244 -0.02110411 0.01547904
-7.92832126 -8.99003671 -4.39592364
-0.00037628 0.00043652 0.00025154
-0.00304560 0.01476548 -0.03015290
-8.36352672 -10.17431634 -1.99630000
0.00011742 -0.00020433 0.00035464
0.02662560 0.00488337 -0.00168469
4.94550371 -13.65350067 -11.97169604
-0.00046438 0.00070521 -0.00015574
0.00559913 -0.01457691 0.00624782
2.34558355 -13.23108781 -13.50427053
0.00009274 0.00031797 -0.00111051
-0.00724422 -0.00727294 0.00305824
1.34701607 -6.16706665 0.07946750
0.00011906 0.00036363 -0.00015791
-0.00593243 0.03221723 -0.01886183
-0.13411160 -3.61523709 -0.16680728
-0.00007054 0.00041619 -0.00039577
-0.00200281 -0.00484408 0.00063978
17.51779585 3.56094639 25.82410897
-0.00013663 -0.00027965 0.00011193
0.00165385 -0.00576249 -0.00562255
16.37123044 3.10324032 28.47031198
0.00095257 0.00116946 -0.00051263
0.00417769 0.01213139 -0.01751628
-10.96340484 7.42731584 -4.14460533
0.00030860 0.00026458 0.00015514
0.01503945 -0.02744069 0.00755108
-8.59941736 7.31147824 -5.64964239
-0.00021311 -0.00018609 0.00051683
0.00306650 -0.02000534 0.01588688
-6.40130233 16.16655290 -9.19340220
0.00010892 -0.00043472 0.00026043
0.00022704 -0.00365571 -0.00426542
-4.74811256 14.18444503 -10.79507361
-0.00014842 0.00029726 -0.00027962
-0.00369266 0.00503910 0.00064453
2.94036093 10.58295839 -6.04348984
-0.00033474 0.00077157 0.00068508
-0.00486959 -0.02343464 0.01376373
1.53836327 13.11966692 -6.73128135
0.00016258 -0.00030008 -0.00074521
-0.02214744 0.01002787 0.00418663
-2.76733073 10.92326991 -14.24509334
0.00097214 -0.00062817 -0.00009505
0.01528972 -0.00260428 -0.00537106
-5.45144333 10.47827310 -13.49805312
0.00068985 -0.00033504 0.00040061
-0.01282329 -0.00597387 0.00530670
4.01304363 7.96957669 19.09187215
0.00073418 -0.00036214 -0.00050090
0.00391145 -0.00467380 -0.00048663
1.99349815 7.15040352 17.25999938
0.00041409 0.00007202 0.00015989
-0.01252588 -0.00981989 0.00072265
-13.41658906 8.66223344 -8.46675840
-0.00098213 0.00027624 -0.00116847
-0.02056826 0.00487101 -0.02122664
-16.04434813 8.19720634 -7.56781494
-0.00101314 0.00035561 0.00023234
-0.01138279 0.00142396 0.00012998
5.25776610 10.18511146 0.24010759
-0.00087734 -0.00064324 -0.00043876
0.00939399 0.01790443 0.01742492
2.39035268 9.39806908 1.52283582
-0.00022173 0.00061524 -0.00088582
-0.03274903 0.02271608 0.03348719
14.30291097 -23.97298516 -25.47154314
0.00021112 0.00051840 -0.00027421
0.00195432 -0.00164512 -0.00910023
14.98749586 -23.68786640 -28.25707317
0.00027311 -0.00110187 0.00067708
-0.00716043 0.00034510 -0.01580177
4.68123102 3.38507960 -1.05627674
-0.00039140 0.00061863 0.00086224
-0.00365006 -0.00762156 -0.00189320
4.81018982 5.82849780 0.22343862
0.00009830 -0.00024533 0.00037689
0.01917740 -0.00626082 0.01135077
16.93831297 -3.67264270 -0.49218969
0.00039060 0.00010732 0.00040225
0.01125236 -0.02393887 0.00837176
16.71787499 -6.69729333 -0.84092577
-0.00053478 -0.00018152 0.00006113
-0.00231734 0.02968250 0.01901174
-5.95179090 2.98530902 -1.68786774
-0.00202754 -0.00064349 0.00035203
-0.02977741 0.01851194 0.02038197
-5.18284776 0.90248298 -3.43880969
-0.00058000 -0.00027828 -0.00112486
0.01115569 0.01281823 0.00006340
2.60383101 2.94097963 -11.28048323
0.00039874 0.00017395 -0.00018506
-0.03029961 -0.01317868 -0.00179314
-0.18542407 1.68303559 -10.63162018
-0.00091481 -0.00037782 0.00107917
0.01000508 -0.00798770 0.01528770
16.75870586 7.64154690 -8.04066740
0.00117124 -0.00000701 0.00079178
0.01770467 0.01723044 -0.00132937
16.25378545 10.64059010 -7.22218296
-0.00057387 -0.00041848 0.00037059
0.01607333 0.00771366 -0.00068731
-6.49373116 0.40190101 10.96612985
-0.00028743 -0.00006772 0.00092112
-0.00238078 0.00577547 0.00594122
-7.89235900 1.89854282 13.19525413
-0.00056811 0.00048293 0.00116068
0.02552301 -0.02657619 -0.00092538
-2.12818337 -16.64291993 13.95634377
0.00018587 -0.00138245 0.00017361
-0.01643649 0.02113019 -0.00908331
-4.43773653 -17.83849029 12.60787296
-0.00096640 -0.00050553 -0.00004379
0.02030207 0.03563646 -0.00457760
7.09725252 -6.36662663 -4.28062055
-0.00065826 0.00034023 0.00001036
-0.00862308 -0.00000341 0.00960477
5.56797346 -8.17609102 -6.22977846
-0.00044022 0.00046254 -0.00034544
0.00658115 0.00838058 0.01543205
-2.85681259 -11.60229631 2.35390247
0.00037808 0.00040014 -0.00042316
0.00908861 0.00071723 -0.00200044
-0.19623029 -10.32859458 2.73592991
-0.00003333 0.00014949 -0.00069564
-0.01167775 -0.00419525 -0.01119975
-14.83909831 -0.95467856 5.70552994
0.00001086 -0.00039640 -0.00058239
0.00598565 0.00803574 0.01493011
-16.06102390 -1.77037240 3.35896490
0.00050032 -0.00031601 0.00062254
0.00313027 -0.00139247 -0.03019295
-9.58017286 4.87583693 -23.11904949
0.00014563 -0.00028012 -0.00017862
-0.00102520 0.00208738 -0.00969048
-9.00140198 4.64019425 -20.38672728
0.00001390 -0.00070157 -0.00085192
0.00202061 0.01927421 0.03561015
1.84244958 1.35672336 -3.02289341
-0.00059197 -0.00070536 0.00075280
-0.00208790 0.00088282 -0.04663162
0.61546755 0.48297244 -0.60345153
0.00005967 -0.00035767 -0.00089115
0.03515339 0.01985005 -0.00861320
13.81277497 9.72475708 3.79591714
-0.00014548 -0.00095753 -0.00085913
0.01134775 0.00074834 0.00597254
11.36671142 9.46354241 2.48271927
0.00017205 -0.00066484 0.00003749
0.00991910 -0.02362463 0.02146967
5.45853390 -9.09633041 -10.62012327
-0.00007184 -0.00025555 0.00013200
-0.00136507 0.00318161 -0.00346127
-13.03023465 10.42828731 21.18046294
0.00000515 -0.00003527 0.00013585
0.01007912 0.00118219 -0.00345926
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06816932
0.30992518
412.95976858
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3838991915 (a.u.)
total exchange computation time: 3.2920551300 s
-154.1971514410
-931.37688311
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3835975437 (a.u.)
total exchange computation time: 3.2914021015 s
-154.2009529234
Anderson extrapolation: theta=1.3428709851 (1.3428709851)
-931.37713438
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3830986652 (a.u.)
total exchange computation time: 3.2942728996 s
-154.2067581229
Anderson extrapolation: theta=0.0502655777 (0.0502655777)
-931.37728403
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.055 s
total exchange = -52.3829973747 (a.u.)
total exchange computation time: 3.2932071686 s
-154.2076566772
Anderson extrapolation: theta=1.9012065990 (1.9012065990)
-931.37728955
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3827793066 (a.u.)
total exchange computation time: 3.2938051224 s
-154.2094957041
Anderson extrapolation: theta=0.2163835180 (0.2163835180)
-931.37729527
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3827235143 (a.u.)
total exchange computation time: 3.2954530716 s
-154.2098911795
Anderson extrapolation: theta=1.9045875019 (1.9045875019)
-931.37729636
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3826349789 (a.u.)
total exchange computation time: 3.2931611538 s
-154.2104432632
Anderson extrapolation: theta=0.2807840230 (0.2807840230)
-931.37729778
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3826287178 (a.u.)
total exchange computation time: 3.2964191437 s
-154.2104047297
Anderson extrapolation: theta=1.3097152994 (1.3097152994)
-931.37729813
238.118279 31.634041 290.091326
-141.961183 489.666732 -804.698842
96.157097 521.300773 -514.607515
738.797386
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3826347652 (a.u.)
total exchange computation time: 3.2920489311 s
679.08976614
-1083.91948325
89.67423443
-388.99701222
-174.84216876
78.40905788
551.60419304
0.00000000
-931.37729841
-8.77942946 -3.85774392 3.42405301
-0.00015305 -0.00022463 0.00060965
-0.01124590 0.01772202 -0.01187416
-17.87764458 4.59607105 6.58822788
0.00017202 -0.00024564 -0.00017061
-0.00684368 -0.03340243 -0.02474700
-15.64646682 -0.93130333 0.55790984
0.00036077 0.00029314 -0.00002326
0.00946755 0.01349753 -0.00671106
3.44946254 -20.69244539 15.67644377
-0.00029767 -0.00010593 -0.00021280
-0.00542388 0.00124157 -0.00295862
7.45423698 15.90559411 -1.33723999
0.00028829 0.00013908 -0.00011973
0.00506932 0.01325015 0.03192387
-9.77692409 9.65487433 11.12988776
-0.00019223 -0.00015026 0.00006752
0.00988034 -0.03795654 -0.02801844
-8.12909462 -0.58403287 -14.15135240
-0.00039041 0.00026471 -0.00024871
-0.02205118 -0.03066382 -0.02412307
-10.82320882 2.22941492 -7.19668175
-0.00007238 0.00024012 0.00046814
-0.01192202 -0.04345208 -0.04124441
-0.21152100 -5.74731941 15.13023841
-0.00018699 -0.00002299 0.00015125
-0.00997293 0.00278373 0.02001572
-25.41977974 -0.58907079 -20.79416951
-0.00043582 -0.00023408 0.00009932
0.00903941 -0.00323963 0.02195920
8.87266331 7.50845012 7.85175021
-0.00003543 0.00002328 -0.00002743
0.00300889 -0.00496202 0.00629272
20.75640865 28.78936910 -4.89038623
0.00002971 -0.00013539 -0.00026523
0.01707507 -0.02284621 -0.01218478
7.75034775 -1.58387095 -7.19692953
-0.00001735 0.00021606 -0.00005477
0.03468369 -0.02653948 -0.00869871
-9.42848449 -3.53113313 13.27720019
0.00047629 0.00009071 0.00043761
-0.01183095 -0.03402579 0.01855163
-1.33756853 -22.74958690 13.87561525
0.00020849 -0.00006856 0.00010080
-0.01537014 -0.01067547 0.01220376
-11.07648258 -8.68212049 -8.31277219
0.00000317 -0.00009794 0.00029113
-0.03900937 -0.03474541 0.05746377
-15.94224508 -8.53249504 -15.54376418
0.00016916 0.00002272 0.00009969
-0.00956908 -0.03171833 -0.00464085
16.53001395 12.62336825 3.52778725
0.00041950 0.00026568 0.00008889
-0.00116005 -0.00675642 0.00238083
20.28828220 -4.58472527 -14.72975725
-0.00019434 0.00014658 -0.00006791
0.02982315 -0.01196077 0.00113246
-0.60939036 8.15873318 -14.84299766
0.00033945 -0.00008714 -0.00011933
0.00280966 -0.02494397 -0.00345577
0.78335154 -0.84109242 -16.75994652
-0.00026383 0.00027407 -0.00027843
0.01959460 0.00313240 -0.00867996
11.65705756 21.07835805 -23.11721594
0.00045402 -0.00028152 -0.00020020
-0.04025395 -0.05796575 -0.01590944
-11.26392882 15.20148249 -16.06842048
-0.00009096 0.00011685 -0.00042847
-0.02335671 -0.01011470 -0.01750134
4.36451729 17.52570328 10.93693727
0.00031805 0.00020861 -0.00040721
-0.02748734 0.02036453 -0.00280564
-2.06483320 -11.11854519 -3.57016611
-0.00020372 -0.00000119 -0.00009658
-0.05994733 0.03967361 0.01885617
1.19539709 -8.03335221 3.71291019
0.00017636 -0.00033224 0.00011452
0.02488188 0.00179543 -0.00456404
9.60610719 1.82637806 8.12818076
0.00006515 0.00027446 0.00027135
-0.01430016 0.02875167 -0.00916054
-6.91766190 -9.42681970 -2.99565996
0.00013449 0.00030490 -0.00019767
-0.03259518 -0.01487483 0.03923479
3.93091428 -12.52936055 -12.94113350
-0.00001866 0.00024435 -0.00011567
-0.00720351 0.02620643 -0.01609694
1.14077637 -4.61186332 -1.01605528
0.00013095 0.00001854 0.00026709
0.00521145 -0.02527350 0.01527116
16.88121459 4.43532565 27.25774222
0.00031028 0.00004204 -0.00021084
-0.00593955 -0.00180505 0.02159614
-9.58918993 6.13581317 -4.48641470
0.00000317 -0.00034034 0.00007321
-0.02213693 0.05635283 -0.00939817
-5.06049497 14.92174482 -9.14189312
0.00031348 0.00004311 -0.00029964
0.00819233 -0.00279705 0.00786222
3.05215775 12.17211008 -6.82629239
-0.00013582 -0.00001443 -0.00002872
0.02885731 0.01983287 -0.02354842
-4.26717778 11.82131004 -13.76967986
0.00010256 0.00036981 0.00003503
-0.00062858 0.00396263 0.00269352
3.82334702 7.19868899 17.42060927
0.00011420 0.00009226 -0.00006408
0.00384249 0.00886419 -0.00306288
-15.19733334 8.80394875 -9.07910255
-0.00020479 -0.00019061 -0.00005195
0.02450839 -0.00870882 0.02655510
3.73499686 9.24488937 0.44168443
0.00008232 0.00026959 0.00035367
0.02154832 -0.05391273 -0.05860400
15.74874404 -24.00812440 -26.66125281
0.00022256 -0.00004890 -0.00014385
0.00164440 -0.00328252 0.03628136
5.81147802 4.23790140 0.08465097
-0.00019056 -0.00022808 0.00017967
-0.00337414 0.02181704 0.00373522
17.05476600 -5.30166219 0.43124201
0.00030241 0.00014001 -0.00026803
-0.00155333 -0.00871666 -0.03676147
-4.56722114 2.53982240 -2.68948097
-0.00008514 -0.00014499 0.00032076
0.01183318 -0.02243012 -0.01454138
0.93115048 2.35630799 -11.87545897
-0.00006746 0.00023223 -0.00002425
0.01768322 0.01446491 -0.01861817
15.57118234 8.99899356 -7.48162174
-0.00042510 -0.00018254 0.00019196
-0.02239670 -0.02538465 0.00460727
-6.25045710 0.93823506 12.73678657
-0.00033580 -0.00005102 0.00002995
-0.02870790 0.02824414 -0.00186370
-3.46441672 -16.14698516 12.70654217
-0.00013454 0.00021843 0.00038627
-0.00729406 -0.06933477 0.00624379
7.02085613 -7.00413946 -6.00053861
0.00015022 0.00020714 -0.00046319
-0.00044524 0.00213544 -0.02524219
-1.15146668 -11.53165355 1.62388242
0.00009220 -0.00005933 -0.00031872
-0.00420320 -0.00720824 0.00193992
-16.33511832 -1.77847748 5.14375531
0.00037041 0.00006736 0.00039627
-0.01389939 -0.01128419 0.03143814
-9.04058406 3.66728745 -21.87050253
-0.00029581 -0.00036553 -0.00040578
0.00239905 -0.01911843 -0.02786463
2.21436368 1.27138086 -1.31105776
-0.00004776 -0.00009845 0.00003528
-0.04426661 -0.02744087 0.05281359
12.40915107 8.57442312 3.84748226
0.00021671 -0.00011660 -0.00003635
-0.02694311 0.01866079 -0.03295638
-7.27947155 -4.10550363 2.30580467
0.00046379 0.00019198 -0.00088710
-0.01588492 -0.00758975 0.00841159
-10.08714038 -3.02426581 2.33375979
0.00040438 -0.00189554 -0.00052546
0.02546356 -0.00934942 0.01035924
-16.73838184 5.91990334 6.92671989
-0.00040485 -0.00066984 0.00015697
0.02076431 0.02353846 0.00649514
-17.03287207 3.65165299 5.20994097
-0.00041125 -0.00053224 -0.00042481
-0.01402628 0.01226663 0.01578120
-15.95541813 0.93746918 0.66807817
-0.00114627 -0.00105863 -0.00061781
-0.00132010 -0.01995016 -0.00379090
-17.07627777 -1.72131169 -0.25847145
-0.00103797 -0.00059843 -0.00037465
-0.00442898 0.00830468 -0.00684717
1.78273120 -21.00023684 14.95227047
0.00003999 0.00121076 0.00020310
0.00244021 -0.00458552 0.00035932
3.66790938 -18.88697759 15.69524853
-0.00157759 0.00042739 -0.00012566
0.00117731 0.00559109 0.00411262
8.37933376 14.29821942 -1.30591848
-0.00041027 0.00019747 0.00004533
-0.00270276 -0.00346631 0.00759355
7.59193409 16.64656618 0.37593235
-0.00050856 -0.00053769 0.00063864
-0.00026975 -0.01120488 -0.02602192
-8.47730682 9.16310946 12.37892951
0.00067488 0.00059754 0.00024666
-0.00671283 0.00920343 0.00033847
-10.50436365 11.16340486 11.72381678
-0.00024227 -0.00044211 -0.00108207
-0.00974298 0.02077671 0.01672301
-9.87759774 0.14396382 -14.34556482
0.00049456 -0.00052656 -0.00096574
0.02007751 -0.00093178 0.00964312
-8.29928087 -2.18715545 -15.20177782
-0.00001591 0.00053767 0.00026892
0.00835229 0.03491138 0.01465623
-12.30245881 1.08111208 -6.99607974
0.00039594 0.00027398 -0.00048931
0.02464981 0.01638110 0.00466439
-10.62068510 3.51972787 -5.98992495
-0.00087671 0.00035694 0.00049574
-0.00420685 0.02528054 0.02771571
-1.93737056 -6.06222301 14.50507077
0.00039975 -0.00008876 0.00048215
0.00529531 -0.00635013 0.00393187
-0.29175453 -5.73603833 17.00334039
-0.00031241 0.00028630 0.00082072
-0.00013793 0.00015249 -0.01885251
-24.86032389 -0.52468079 -19.00139964
-0.00025427 -0.00020869 0.00076055
-0.00111847 0.00336516 -0.02599047
-25.61350307 1.09980570 -21.46996364
-0.00002153 0.00033879 -0.00046625
0.00074392 -0.00056435 -0.00330629
9.49566428 8.76226768 6.68737220
-0.00021696 -0.00021705 0.00058444
0.00609007 -0.00515250 -0.00899720
10.10636060 7.68910755 9.22381725
-0.00001641 0.00054753 -0.00035416
-0.00353131 0.00296582 -0.00116724
19.78476186 27.45229597 -4.12844144
0.00013616 0.00035716 -0.00000423
-0.00561013 -0.00538809 0.00832572
20.11890181 30.42569173 -4.32045894
-0.00005835 0.00041555 0.00015909
-0.00435143 0.01227795 0.00356185
6.41749299 -0.47593624 -6.86936929
-0.00030125 -0.00110788 -0.00029803
-0.03698372 0.01835179 0.00500030
7.08034912 -3.30136564 -7.23424046
0.00042516 -0.00066673 0.00005378
-0.00224209 0.00339657 0.00222010
-8.61844525 -2.37927843 12.21350965
-0.00069064 0.00003823 0.00049323
0.00555834 0.02572931 -0.02063682
-11.11459900 -2.93338513 13.67677939
-0.00087739 -0.00026472 -0.00098030
0.00302243 0.00728631 -0.00247517
-1.48227087 -24.37596970 14.81098597
0.00021580 0.00033749 0.00092356
0.00874033 0.01649008 -0.01484768
-3.08832498 -22.23746462 13.49858978
-0.00001440 0.00061954 0.00061010
0.00670041 -0.00383516 0.00836925
-12.20047444 -7.69108798 -7.14026045
-0.00050045 -0.00006235 0.00092623
-0.00575408 -0.02519115 -0.00745056
-10.47158511 -7.38564458 -9.22059210
0.00054127 0.00047923 -0.00065071
0.04047961 0.06471244 -0.04759559
-16.20123328 -10.42446775 -15.62467290
-0.00035488 -0.00046883 -0.00104536
0.00885472 0.03652078 0.00502684
-14.23722852 -8.06302716 -16.16293891
-0.00000588 -0.00015394 -0.00006515
-0.00588221 -0.00526003 0.00181873
16.85938988 12.64043718 5.35270062
0.00070126 0.00033536 0.00034727
0.00289416 0.00305482 -0.00537542
17.40786639 14.03800533 2.78222908
-0.00030030 -0.00017188 -0.00019063
-0.00379360 0.00328985 0.00483252
18.59382298 -4.13164915 -15.07203567
-0.00037596 -0.00070532 0.00029247
-0.00937609 0.01045392 -0.00693367
21.51038624 -3.30099482 -15.38911345
-0.00132153 -0.00028396 0.00036074
-0.02008850 -0.00041433 0.00297947
-1.73325962 7.29635917 -13.65339907
0.00107782 0.00031454 0.00011415
0.00984960 -0.00174804 -0.00506843
0.16033593 6.76220319 -15.84660602
-0.00000295 0.00093780 -0.00096968
-0.01208668 0.01838424 0.01252692
0.94248510 0.47085184 -15.48481698
-0.00041876 0.00031305 -0.00021141
-0.00086410 0.00084917 0.00494801
2.57938099 -1.05566682 -17.34622240
0.00055590 0.00000495 -0.00065362
-0.01973264 0.00095326 0.01419668
12.03222656 22.69074696 -22.61131555
-0.00000956 0.00000782 0.00096458
0.02047419 0.06349619 0.02083240
9.76370933 21.13074807 -23.13213101
-0.00000852 0.00073036 0.00019235
0.02097452 -0.00850562 -0.00247010
-10.02433400 16.17065442 -17.02223664
0.00105221 0.00009054 -0.00045379
0.00754962 0.00636422 -0.00528220
-10.82546489 14.97121449 -14.37608356
-0.00005537 0.00092543 0.00005404
0.01408096 -0.00101985 0.02460050
2.76544809 18.53096827 11.34742702
0.00014179 0.00068467 0.00070268
0.04073458 -0.02535479 -0.01653581
4.91075453 17.88457943 9.19110058
0.00032121 0.00023707 -0.00013918
-0.01343157 0.00228137 0.01639177
-3.80175339 -10.30642392 -3.01258308
-0.00004237 -0.00009779 0.00013927
0.03671995 -0.02456904 -0.03615494
-1.51325551 -11.17063712 -1.84193964
0.00032925 -0.00070499 0.00029823
0.02465978 -0.00805545 0.02007574
0.25677886 -6.89578296 4.75081372
-0.00068710 -0.00058737 0.00023277
-0.00729766 0.00916666 0.01467857
2.91482384 -8.15856124 4.38781355
-0.00106916 -0.00085699 0.00013678
-0.00551359 0.00433952 0.00404648
8.48611565 2.05116300 9.58127912
-0.00126236 -0.00019622 -0.00097888
0.01001928 -0.00364367 -0.00981628
9.55503388 3.53003085 7.28199714
0.00037237 0.00026399 0.00021139
0.00166683 -0.02154334 0.01582830
-7.93405886 -8.98303652 -4.39307456
-0.00038900 0.00049673 0.00012866
-0.00317684 0.01470932 -0.02999737
-8.36094954 -10.17723159 -1.99103209
0.00022978 -0.00018205 0.00034424
0.02837736 0.00602245 -0.00340515
4.93870963 -13.64336927 -11.97384070
-0.00043636 0.00063913 -0.00012524
0.00811340 -0.01776600 0.00868168
2.34675270 -13.22654120 -13.52083450
0.00006610 0.00028900 -0.00109635
-0.00579745 -0.00690427 0.00387235
1.34862016 -6.16062500 0.07652083
0.00009492 0.00049033 -0.00023066
-0.00588447 0.02980213 -0.01674924
-0.13523103 -3.60914272 -0.17272429
-0.00007814 0.00039519 -0.00039266
-0.00172072 -0.00543313 0.00088323
17.51579715 3.55657512 25.82561558
-0.00012821 -0.00030474 0.00008521
0.00246716 -0.00651938 -0.00745453
16.38564707 3.12115392 28.46208574
0.00096467 0.00120752 -0.00057265
0.00174133 0.00649882 -0.01186053
-10.95831504 7.43044366 -4.14204682
0.00037009 0.00015070 0.00018616
0.01506457 -0.02830210 0.00763323
-8.60252006 7.30807388 -5.64140310
-0.00019797 -0.00026681 0.00057866
0.00434508 -0.01951053 0.01437752
-6.39966165 16.15992010 -9.18962647
0.00010766 -0.00044746 0.00024286
-0.00084181 -0.00258224 -0.00433402
-4.75045207 14.18905830 -10.79924816
-0.00016284 0.00031642 -0.00027936
-0.00336211 0.00434058 -0.00051841
2.93519058 10.59381381 -6.03279180
-0.00035479 0.00067071 0.00074398
-0.00494253 -0.02593827 0.01506735
1.54012336 13.11547295 -6.74233123
0.00006606 -0.00025491 -0.00072782
-0.02510151 0.01208649 0.00432428
-2.75228017 10.91376757 -14.24668373
0.00101867 -0.00062835 -0.00011223
0.00748880 0.00251360 -0.00303523
-5.44148860 10.47306452 -13.49188142
0.00063867 -0.00035636 0.00042182
-0.01222494 -0.00446634 0.00507908
4.02417623 7.96400143 19.08434380
0.00075074 -0.00037847 -0.00049673
0.00419289 -0.00332076 0.00252512
1.99932562 7.15118285 17.26241989
0.00035871 0.00003209 0.00016264
-0.01458272 -0.00972637 0.00062050
-13.43195128 8.66652637 -8.48493594
-0.00105273 0.00029412 -0.00124867
-0.01398914 0.00388093 -0.01803088
-16.05989405 8.20258419 -7.56432586
-0.00105423 0.00036322 0.00022773
-0.00872982 0.00230083 -0.00238728
5.24489387 10.17601144 0.23406013
-0.00082309 -0.00055858 -0.00036941
0.01716191 0.02353763 0.01652365
2.38602324 9.40799373 1.51057461
-0.00036259 0.00070987 -0.00074457
-0.03620187 0.02360607 0.03565949
14.30613768 -23.96525959 -25.47593513
0.00021859 0.00051124 -0.00030953
0.00170092 -0.00186091 -0.00818768
14.99137303 -23.70438388 -28.24740114
0.00023750 -0.00109812 0.00059719
-0.01026869 0.00149170 -0.02330576
4.67524818 3.39412550 -1.04340108
-0.00041229 0.00058137 0.00084715
-0.00657573 -0.01061906 -0.00549362
4.81225196 5.82462601 0.22943981
0.00017625 -0.00026881 0.00042380
0.01897962 -0.00523295 0.01161013
16.94451674 -3.67176644 -0.48589940
0.00043633 0.00001382 0.00043262
0.01113519 -0.02183097 0.00649225
16.70978235 -6.69910651 -0.83942631
-0.00054374 -0.00005869 0.00013842
-0.00207230 0.03043974 0.01882529
-5.98311648 2.97622400 -1.68196267
-0.00212806 -0.00057472 0.00042039
-0.01942564 0.01515031 0.01308091
-5.19120586 0.89870157 -3.45568066
-0.00053112 -0.00021921 -0.00112036
0.01277172 0.01609745 0.00214146
2.60888358 2.94318504 -11.28331413
0.00027171 0.00011890 -0.00019289
-0.03187962 -0.01376789 -0.00203564
-0.19883966 1.67712359 -10.61496419
-0.00085795 -0.00040175 0.00112459
0.01782719 -0.00372801 0.00694787
16.77681704 7.64196974 -8.02883150
0.00123723 0.00006680 0.00078768
0.01459412 0.01890249 -0.00067696
16.24566990 10.63454924 -7.21664513
-0.00050755 -0.00038243 0.00036911
0.01639014 0.00993319 -0.00003920
-6.49811553 0.40106216 10.98012864
-0.00029940 -0.00004642 0.00093491
-0.00347950 0.00465348 0.00081349
-7.90009853 1.90497232 13.21263592
-0.00046042 0.00037097 0.00115406
0.02719199 -0.02822460 -0.00231333
-2.12589897 -16.66300915 13.95866959
0.00011515 -0.00129329 0.00013314
-0.01818272 0.02251239 -0.01072684
-4.45161035 -17.84498116 12.60707583
-0.00087939 -0.00035215 -0.00006197
0.02228888 0.03944152 -0.00432041
7.08711440 -6.36152326 -4.28017090
-0.00069269 0.00033833 0.00004360
-0.00822919 -0.00092534 0.00667006
5.56157186 -8.16889609 -6.23448711
-0.00041060 0.00049806 -0.00028309
0.00791880 0.00900671 0.01508883
-2.85086287 -11.59627226 2.34749380
0.00041029 0.00040244 -0.00042957
0.00667675 0.00040779 -0.00113937
-0.19708814 -10.32648085 2.72515204
-0.00007932 0.00013372 -0.00074005
-0.01083064 -0.00352016 -0.01053876
-14.83875192 -0.96037829 5.69725163
0.00004685 -0.00035695 -0.00051566
0.01162937 0.01127478 0.01773185
-16.05342320 -1.77515529 3.36737775
0.00051224 -0.00032237 0.00049664
0.00270317 -0.00172050 -0.03143509
-9.57801989 4.87169916 -23.12202578
0.00014006 -0.00026952 -0.00022113
-0.00169836 0.00310008 -0.01111731
-9.00113163 4.63026138 -20.39841490
0.00002267 -0.00061813 -0.00069814
0.00227620 0.02156917 0.03966776
1.83350604 1.34617005 -3.01303035
-0.00060067 -0.00070019 0.00055060
-0.00216901 0.00164517 -0.05234549
0.61743974 0.47821561 -0.61708271
0.00019984 -0.00027818 -0.00092120
0.03346255 0.01905979 -0.00609785
13.81094043 9.71041708 3.78321322
-0.00008895 -0.00094661 -0.00083440
0.01632841 0.00459727 0.00613418
11.36959607 9.45284583 2.48393952
0.00021042 -0.00075961 0.00012330
0.00886700 -0.02276581 0.02053342
5.45745262 -9.10015518 -10.61815259
-0.00007229 -0.00025439 0.00013071
-0.00115411 0.00330158 -0.00375681
-13.03013991 10.42776039 21.18249474
0.00000750 -0.00003500 0.00013504
0.01019120 0.00113431 -0.00360441
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06818548
0.30911293
411.87748291
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1861546782
ExchangeOperator: bisection time: 2.061 s
total exchange = -52.3867749818 (a.u.)
total exchange computation time: 3.3277759552 s
-154.2127318137
-931.37642160
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1861546782
ExchangeOperator: bisection time: 2.062 s
total exchange = -52.3864208257 (a.u.)
total exchange computation time: 3.3330769539 s
-154.2168980556
Anderson extrapolation: theta=1.3471233089 (1.3471233089)
-931.37667201
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1861546782
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3858437431 (a.u.)
total exchange computation time: 3.3288011551 s
-154.2232359122
Anderson extrapolation: theta=0.0516213752 (0.0516213752)
-931.37682183
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1861546782
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.3857330834 (a.u.)
total exchange computation time: 3.3309800625 s
-154.2241863296
Anderson extrapolation: theta=1.9467830479 (1.9467830479)
-931.37682757
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1861546782
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3854911651 (a.u.)
total exchange computation time: 3.3292191029 s
-154.2261603849
Anderson extrapolation: theta=0.2243241683 (0.2243241683)
-931.37683369
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1861546782
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3854283427 (a.u.)
total exchange computation time: 3.3282461166 s
-154.2265880661
Anderson extrapolation: theta=1.9035183225 (1.9035183225)
-931.37683489
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1861546782
ExchangeOperator: bisection time: 2.053 s
total exchange = -52.3853279421 (a.u.)
total exchange computation time: 3.3269701004 s
-154.2271827503
Anderson extrapolation: theta=0.2825188709 (0.2825188709)
-931.37683641
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1861546782
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3853195968 (a.u.)
total exchange computation time: 3.3267078400 s
-154.2271418876
Anderson extrapolation: theta=1.3065627643 (1.3065627643)
-931.37683678
238.086546 31.557349 290.145542
-142.002255 489.664757 -804.726699
96.084291 521.222106 -514.581157
738.714046
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1861546782
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3853239510 (a.u.)
total exchange computation time: 3.3272440434 s
679.12440264
-1084.00853029
89.67821300
-388.93602825
-174.84957019
78.46212984
551.60419304
0.00000000
-931.37683705
-8.78176864 -3.86104500 3.43315201
-0.00015662 -0.00021604 0.00060225
-0.00264403 0.01567592 -0.01692315
-17.87509065 4.59225767 6.58557327
0.00016750 -0.00026382 -0.00018356
-0.01075462 -0.03732682 -0.02562812
-15.64101882 -0.92685423 0.55753508
0.00036315 0.00029711 -0.00002825
-0.00018998 0.00197420 -0.01271734
3.44497662 -20.69402960 15.67324031
-0.00029960 -0.00010393 -0.00021395
-0.00207702 0.00655511 -0.00151509
7.45858081 15.90773142 -1.33891282
0.00029056 0.00014659 -0.00010284
0.00377772 0.01596977 0.03376801
-9.77976936 9.65247409 11.13079244
-0.00018612 -0.00017098 0.00005318
0.01384972 -0.04264815 -0.02773907
-8.13503586 -0.58018049 -14.15517608
-0.00040035 0.00024890 -0.00026061
-0.01659083 -0.03081822 -0.02214185
-10.82434046 2.23284915 -7.18981870
-0.00007765 0.00021844 0.00044694
-0.00856662 -0.04088065 -0.04118965
-0.21436436 -5.74765350 15.13258438
-0.00019111 -0.00002133 0.00016302
-0.00605223 0.00365198 0.02575524
-25.42628220 -0.59259452 -20.79259498
-0.00043104 -0.00023462 0.00011106
0.00957091 0.00113505 0.02367066
8.87214342 7.50878013 7.85136298
-0.00003435 0.00002002 -0.00002365
0.00120914 -0.00771960 0.00840965
20.75692022 28.78725017 -4.89441174
0.00003841 -0.00014572 -0.00027128
0.01675961 -0.01734951 -0.01134395
7.75022136 -1.58073246 -7.19778458
0.00000107 0.00020042 -0.00005949
0.03692030 -0.03427661 -0.00968850
-9.42138571 -3.52990375 13.28383586
0.00046809 0.00007306 0.00044820
-0.02006883 -0.03460867 0.02262721
-1.33450048 -22.75065643 13.87717432
0.00020011 -0.00007376 0.00010703
-0.01720646 -0.00955137 0.01200632
-11.07658545 -8.68372363 -8.30818354
-0.00001590 -0.00011260 0.00031909
-0.03516776 -0.02224418 0.05126948
-15.93974459 -8.53227661 -15.54228671
0.00016386 0.00000558 0.00009727
-0.01105846 -0.03492899 -0.00478325
16.53630198 12.62732745 3.52912976
0.00041846 0.00026131 0.00009096
-0.00290014 -0.01027035 0.00566550
20.28548213 -4.58257265 -14.73077147
-0.00018001 0.00013921 -0.00006671
0.02588352 -0.01672572 0.00351672
-0.60428781 8.15732986 -14.84480100
0.00034111 -0.00009869 -0.00012132
0.00365715 -0.01997756 -0.00428390
0.77946974 -0.83696926 -16.76415647
-0.00025265 0.00027556 -0.00028325
0.02387348 0.00265302 -0.01006610
11.66371260 21.07391171 -23.12028033
0.00043299 -0.00030945 -0.00020790
-0.04151843 -0.05064173 -0.01400770
-11.26538338 15.20319625 -16.07491502
-0.00010170 0.00011216 -0.00043703
-0.01840902 -0.00812661 -0.01580042
4.36918194 17.52891103 10.93081831
0.00030328 0.00021922 -0.00040780
-0.02993485 0.02089688 0.00051392
-2.06812022 -11.11841001 -3.57154213
-0.00023386 0.00001891 -0.00008584
-0.05726046 0.03848812 0.02292407
1.19813849 -8.03832894 3.71461032
0.00018669 -0.00033071 0.00011185
0.01529917 0.00417795 -0.00581485
9.60702924 1.83060593 8.13221566
0.00005802 0.00028916 0.00026626
-0.01341162 0.02838099 -0.01062778
-6.91577035 -9.42230355 -2.99847372
0.00011728 0.00029710 -0.00017740
-0.03431795 -0.01545479 0.03959823
3.93060667 -12.52559426 -12.94293062
-0.00002335 0.00025833 -0.00012467
-0.01103551 0.02818405 -0.01892195
1.14276075 -4.61168268 -1.01198996
0.00013351 0.00000656 0.00027422
0.00472341 -0.02130701 0.01243887
16.88584589 4.43594933 27.25466297
0.00030773 0.00004288 -0.00020101
-0.00395909 0.00507187 0.01660711
-9.58922773 6.13092540 -4.48535277
-0.00000850 -0.00031147 0.00006884
-0.02324627 0.05591915 -0.00762429
-5.05576121 14.92238066 -9.14635744
0.00031787 0.00004160 -0.00029528
0.00887471 -0.00308226 0.00909134
3.05023172 12.17197015 -6.82681398
-0.00012048 -0.00000421 -0.00004100
0.03079018 0.01989402 -0.02419977
-4.26564187 11.82687249 -13.76914399
0.00010393 0.00037010 0.00003585
0.00598918 -0.00283533 0.00048206
3.82507480 7.20010712 17.41963628
0.00011652 0.00009644 -0.00006646
0.00518108 0.00737936 -0.00620525
-15.20031069 8.80105608 -9.07977931
-0.00019488 -0.00019501 -0.00003854
0.01402402 -0.00843022 0.02556212
3.73631485 9.24872522 0.44676342
0.00009180 0.00024032 0.00032376
0.01530505 -0.05988766 -0.05771235
15.75208873 -24.00887057 -26.66327056
0.00022420 -0.00005075 -0.00012374
0.00474538 -0.00390411 0.04190158
5.80860663 4.23456437 0.08736036
-0.00019149 -0.00021637 0.00018233
-0.00026830 0.02370222 0.00664165
17.05929611 -5.29959564 0.42707978
0.00030150 0.00013488 -0.00028619
-0.00196825 -0.01125404 -0.03387997
-4.56845258 2.53756096 -2.68472570
-0.00008203 -0.00015644 0.00031472
0.00027645 -0.02207174 -0.00895077
0.93020681 2.35984720 -11.87589461
-0.00005999 0.00023872 -0.00003184
0.01136518 0.01079627 -0.01089148
15.56471946 8.99615748 -7.47872450
-0.00043581 -0.00019639 0.00019395
-0.01924489 -0.02845571 0.00312647
-6.25560478 0.93757875 12.73722864
-0.00035050 -0.00003577 0.00003078
-0.02848695 0.03103021 0.00507229
-3.46646294 -16.14397614 12.71236030
-0.00013836 0.00018180 0.00038973
-0.00756198 -0.07313187 0.00721156
7.02310772 -7.00102407 -6.00758379
0.00014958 0.00020840 -0.00047511
-0.00205274 0.00275058 -0.02114004
-1.15009987 -11.53257123 1.61910906
0.00009046 -0.00006317 -0.00031818
-0.00256198 -0.00776169 0.00017465
-16.32961572 -1.77751064 5.14982058
0.00036203 0.00006089 0.00041168
-0.01868559 -0.01387234 0.02850631
-9.04501196 3.66173075 -21.87669666
-0.00029452 -0.00037591 -0.00042043
0.00263353 -0.02122853 -0.02911683
2.21347656 1.26979823 -1.31032479
-0.00006995 -0.00011240 0.00006263
-0.04204588 -0.02678130 0.05354454
12.41229786 8.57274616 3.84680983
0.00020205 -0.00010825 -0.00005290
-0.03008287 0.01380405 -0.03139726
-7.27300146 -4.10285647 2.29275587
0.00038965 0.00016092 -0.00084208
-0.02040937 -0.00761699 0.01362711
-10.08029444 -3.05298534 2.32619537
0.00050142 -0.00192966 -0.00048441
0.02203809 -0.00735655 0.00973539
-16.74381836 5.91057700 6.92927350
-0.00031295 -0.00056688 0.00018457
0.02422501 0.02686209 0.00701323
-17.03947067 3.64404521 5.20405244
-0.00046753 -0.00048079 -0.00035959
-0.01352002 0.01291853 0.01614506
-15.97265270 0.92097833 0.65869480
-0.00115160 -0.00112665 -0.00063134
-0.00128717 -0.01334540 -0.00282810
-17.09198309 -1.73003374 -0.26430105
-0.00103614 -0.00055564 -0.00039156
0.00532622 0.01264546 -0.00143065
1.78340583 -20.98221596 14.95532800
0.00004087 0.00118694 0.00020052
-0.00200864 -0.00707373 -0.00162240
3.64428156 -18.88039538 15.69348964
-0.00156994 0.00044422 -0.00010765
0.00256778 0.00264633 0.00470610
8.37309696 14.30107518 -1.30500580
-0.00041849 0.00017851 0.00007593
-0.00132230 -0.00581222 0.00738208
7.58429748 16.63815746 0.38471460
-0.00050989 -0.00058441 0.00052833
-0.00038477 -0.01166225 -0.02797487
-8.46738932 9.17235458 12.38263984
0.00064296 0.00063612 0.00024491
-0.00891346 0.00968252 -0.00119913
-10.50829629 11.15740991 11.70809822
-0.00028573 -0.00034874 -0.00101067
-0.01152848 0.02492861 0.01822454
-9.86956411 0.13603686 -14.35975550
0.00056586 -0.00052491 -0.00092652
0.01482631 0.00173935 0.00955721
-8.29926366 -2.17802066 -15.19729485
0.00001820 0.00067436 0.00032521
0.00834639 0.03200182 0.01289436
-12.29576437 1.08572382 -7.00327647
0.00049056 0.00033685 -0.00046909
0.02166775 0.01439141 0.00523546
-10.63396464 3.52585665 -5.98163958
-0.00089414 0.00045882 0.00060721
-0.00432564 0.02459126 0.02685144
-1.93121206 -6.06374899 14.51242358
0.00041306 -0.00011592 0.00049486
0.00121905 -0.00694344 0.00228564
-0.29644484 -5.73173915 17.01507347
-0.00031221 0.00028642 0.00073535
0.00023569 -0.00009535 -0.02293783
-24.86417221 -0.52770798 -18.99078788
-0.00026071 -0.00019475 0.00064663
-0.00203603 0.00345530 -0.02977074
-25.61380323 1.10487019 -21.47705863
-0.00001758 0.00032722 -0.00047614
0.00118982 -0.00509640 -0.00153811
9.49259643 8.75885403 6.69586306
-0.00018994 -0.00023123 0.00054034
0.00714081 -0.00178931 -0.01258949
10.10600624 7.69741132 9.21846914
-0.00002925 0.00055843 -0.00035576
-0.00275560 0.00237155 0.00038402
19.78663235 27.45748831 -4.12824973
0.00011087 0.00033144 0.00003171
-0.00676979 -0.00720128 0.00926481
20.11789321 30.43230127 -4.31796338
-0.00007289 0.00045870 0.00017045
-0.00276741 0.00884143 0.00199490
6.41184096 -0.49199211 -6.87368645
-0.00046016 -0.00102546 -0.00027578
-0.04080319 0.02199417 0.00588879
7.08665786 -3.31126244 -7.23336568
0.00041970 -0.00064471 0.00006292
-0.00043180 0.00737833 0.00225206
-8.62863450 -2.37791650 12.22027575
-0.00066218 0.00014964 0.00040204
0.00837165 0.02880482 -0.02400415
-11.12766729 -2.93713270 13.66199911
-0.00085404 -0.00023993 -0.00099174
0.00841039 0.00484898 -0.00312521
-1.47876609 -24.37040203 14.82438445
0.00025095 0.00040473 0.00086213
0.00846832 0.01642569 -0.01522656
-3.08833568 -22.22828898 13.50799771
0.00001566 0.00060176 0.00064492
0.00801423 -0.00487130 0.00867558
-12.20815746 -7.69279519 -7.12659536
-0.00051855 -0.00016716 0.00088932
-0.00310880 -0.02611422 -0.01061565
-10.46222564 -7.37647321 -9.23181120
0.00069342 0.00071956 -0.00082632
0.03399963 0.05293335 -0.03836795
-16.20628513 -10.43038102 -15.64019926
-0.00031732 -0.00031358 -0.00102338
0.00952897 0.03947166 0.00573476
-14.23749702 -8.06549749 -16.16386041
-0.00002804 -0.00017489 -0.00005848
-0.00496429 -0.00499166 0.00144407
16.86999745 12.64556112 5.35774488
0.00071221 0.00034765 0.00032171
0.00246454 0.00296168 -0.00713388
17.40324559 14.03552788 2.77951773
-0.00031138 -0.00015134 -0.00017399
-0.00162938 0.00676744 0.00331108
18.58789627 -4.14190855 -15.06786103
-0.00041538 -0.00066239 0.00026404
-0.00992188 0.01055869 -0.00698713
21.48994775 -3.30526698 -15.38361102
-0.00139432 -0.00027649 0.00036807
-0.01554472 0.00407431 0.00060805
-1.71679057 7.30102367 -13.65184216
0.00111416 0.00030284 0.00009739
0.00793982 -0.00397632 -0.00313676
0.15992134 6.77683351 -15.86076736
-0.00005060 0.00100733 -0.00092077
-0.01124105 0.01565082 0.01141340
0.93617726 0.47557360 -15.48783655
-0.00042137 0.00031563 -0.00019226
-0.00041340 0.00041334 0.00442710
2.58711487 -1.05556341 -17.35559164
0.00046561 0.00001085 -0.00059142
-0.02446513 0.00193742 0.01624772
12.03271051 22.69280997 -22.59620847
0.00007241 0.00025388 0.00104624
0.01965181 0.05695074 0.01913850
9.76422420 21.14144288 -23.12932139
0.00008143 0.00069335 0.00018149
0.02305880 -0.00961311 -0.00284913
-10.00831952 16.17220748 -17.02920534
0.00107521 0.00011147 -0.00047105
0.00370836 0.00388191 -0.00316887
-10.82586397 14.98506464 -14.37451906
-0.00000078 0.00092204 0.00014712
0.01264145 -0.00064025 0.02095925
2.76882313 18.54046139 11.35746047
0.00031280 0.00057841 0.00063209
0.04297516 -0.02665941 -0.01801924
4.91516113 17.88820545 9.18951514
0.00026662 0.00024777 -0.00007588
-0.01328981 0.00295375 0.01459621
-3.80126373 -10.30864369 -3.01160191
0.00010633 -0.00019720 -0.00000767
0.03607122 -0.02408982 -0.03577576
-1.50756118 -11.18145876 -1.83685105
0.00042593 -0.00073689 0.00037130
0.02266927 -0.00756320 0.01569410
0.24624878 -6.90431261 4.75475507
-0.00071264 -0.00055403 0.00028909
-0.00520740 0.00715306 0.01289197
2.89861741 -8.17128309 4.38998923
-0.00107686 -0.00083962 0.00015947
0.00174883 0.00416458 0.00706191
8.46748726 2.04810802 9.56629510
-0.00122337 -0.00021039 -0.00101608
0.00906771 -0.00328933 -0.00839073
9.56067058 3.53333059 7.28565296
0.00037877 0.00017632 0.00027608
0.00146156 -0.02137491 0.01583846
-7.93999116 -8.97513486 -4.39206389
-0.00040106 0.00055599 0.00000849
-0.00272733 0.01430087 -0.02882407
-8.35663323 -10.17977775 -1.98597287
0.00034806 -0.00015558 0.00032736
0.02951920 0.00693529 -0.00485759
4.93241278 -13.63432668 -11.97545330
-0.00039893 0.00056108 -0.00008557
0.01020900 -0.02044360 0.01073695
2.34756654 -13.22241772 -13.53716116
0.00004579 0.00026178 -0.00107869
-0.00414561 -0.00642312 0.00477255
1.34986361 -6.15235689 0.07254767
0.00007130 0.00060536 -0.00029363
-0.00567847 0.02650942 -0.01407474
-0.13645591 -3.60338132 -0.17858717
-0.00008452 0.00037183 -0.00038865
-0.00140088 -0.00600404 0.00108320
17.51394966 3.55180430 25.82666533
-0.00011678 -0.00033249 0.00005171
0.00312509 -0.00706484 -0.00894406
16.40017043 3.13946581 28.45313261
0.00096634 0.00122122 -0.00060803
-0.00092101 0.00021104 -0.00546183
-10.95230199 7.43183694 -4.13902049
0.00043062 0.00003446 0.00021768
0.01456282 -0.02860195 0.00779463
-8.60535648 7.30347380 -5.63228268
-0.00017722 -0.00034483 0.00063372
0.00581354 -0.01867628 0.01257722
-6.39807255 16.15312905 -9.18611636
0.00010207 -0.00045583 0.00022513
-0.00189252 -0.00151322 -0.00434736
-4.75299763 14.19393758 -10.80345448
-0.00017585 0.00033265 -0.00028393
-0.00300709 0.00360257 -0.00171782
2.92971732 10.60307957 -6.02117035
-0.00037490 0.00056202 0.00080708
-0.00490425 -0.02726268 0.01582093
1.54034509 13.11201972 -6.75311609
-0.00004072 -0.00020245 -0.00071008
-0.02717058 0.01359196 0.00435971
-2.73677064 10.90441928 -14.24846013
0.00103410 -0.00060813 -0.00012015
0.00006554 0.00738519 -0.00084471
-5.43228308 10.46758221 -13.48539845
0.00059060 -0.00037087 0.00044191
-0.01130776 -0.00263613 0.00475637
4.03556579 7.95822265 19.07697021
0.00076849 -0.00038924 -0.00048010
0.00449784 -0.00195456 0.00561506
2.00425937 7.15136608 17.26487844
0.00029575 -0.00000741 0.00016513
-0.01623685 -0.00960889 0.00059999
-13.44817083 8.67105715 -8.50421852
-0.00109423 0.00030788 -0.00131509
-0.00632688 0.00285377 -0.01448336
-16.07597499 8.20810305 -7.56098310
-0.00108432 0.00037429 0.00021296
-0.00600099 0.00311859 -0.00484288
5.23307343 10.16835395 0.22902534
-0.00073759 -0.00045138 -0.00030410
0.02469207 0.02893787 0.01544362
2.37947512 9.41936510 1.50049883
-0.00051335 0.00080754 -0.00059807
-0.03759695 0.02420495 0.03605376
14.30946863 -23.95764807 -25.48082892
0.00022466 0.00050324 -0.00034077
0.00126940 -0.00205183 -0.00710740
14.99462088 -23.72080994 -28.23915742
0.00018982 -0.00109022 0.00048814
-0.01307099 0.00237445 -0.03007639
4.66886234 3.40252060 -1.03086210
-0.00044489 0.00053235 0.00081788
-0.00938493 -0.01337609 -0.00883593
4.81547729 5.82043352 0.23615255
0.00025289 -0.00028743 0.00047173
0.01853889 -0.00388243 0.01185465
16.95140295 -3.67222812 -0.47921122
0.00048148 -0.00006974 0.00045471
0.01096275 -0.01906992 0.00432515
16.70156271 -6.69905416 -0.83677312
-0.00055191 0.00006594 0.00021392
-0.00192752 0.03056868 0.01812974
-6.01563258 2.96806748 -1.67525593
-0.00218589 -0.00051948 0.00045922
-0.00888498 0.01188878 0.00592569
-5.19878123 0.89590671 -3.47242039
-0.00047611 -0.00014778 -0.00110758
0.01415624 0.01886856 0.00411156
2.61198237 2.94454667 -11.28626978
0.00014007 0.00006212 -0.00020124
-0.03256079 -0.01402878 -0.00205287
-0.21116270 1.67098313 -10.59788238
-0.00077060 -0.00040907 0.00113717
0.02493218 0.00014627 -0.00079223
16.79582265 7.64355103 -8.01703708
0.00129031 0.00014702 0.00078601
0.01139092 0.02036195 -0.00013692
16.23855884 10.62911714 -7.21110970
-0.00044061 -0.00033850 0.00037009
0.01637968 0.01157118 0.00051896
-6.50271314 0.40050851 10.99417729
-0.00031590 -0.00002993 0.00092718
-0.00459581 0.00341592 -0.00460012
-7.90617157 1.90967204 13.22987593
-0.00034720 0.00025320 0.00114207
0.02822948 -0.02942789 -0.00355588
-2.12472892 -16.68171867 13.96033802
0.00003818 -0.00119884 0.00008678
-0.01949354 0.02372164 -0.01196935
-4.46411818 -17.84905481 12.60601392
-0.00078537 -0.00018522 -0.00007912
0.02373253 0.04227356 -0.00407565
7.07647195 -6.35647659 -4.27931247
-0.00072528 0.00033259 0.00006450
-0.00772486 -0.00188529 0.00355687
5.55565558 -8.16114917 -6.23827102
-0.00037600 0.00053565 -0.00022240
0.00901556 0.00939229 0.01461593
-2.84450396 -11.59022322 2.34101529
0.00043212 0.00040345 -0.00043231
0.00401157 0.00008700 -0.00019842
-0.19860975 -10.32458287 2.71372829
-0.00012143 0.00012120 -0.00078140
-0.00978358 -0.00260869 -0.00969868
-14.83769280 -0.96538704 5.69006003
0.00010506 -0.00030479 -0.00043813
0.01686425 0.01425922 0.02021988
-16.04565682 -1.78004362 3.37386407
0.00052217 -0.00032996 0.00036800
0.00215978 -0.00199156 -0.03153369
-9.57597101 4.86775138 -23.12568341
0.00013191 -0.00025507 -0.00026896
-0.00229350 0.00397060 -0.01229713
-9.00072179 4.62165041 -20.40767144
0.00003241 -0.00052730 -0.00053105
0.00248824 0.02289218 0.04212238
1.82442956 1.33571757 -3.00637534
-0.00060873 -0.00069221 0.00032970
-0.00177627 0.00226455 -0.05578717
0.62146272 0.47462689 -0.63108760
0.00033116 -0.00020292 -0.00094023
0.03081929 0.01778256 -0.00321679
13.81010659 9.69635882 3.77088525
-0.00001271 -0.00092049 -0.00080923
0.02098908 0.00818995 0.00618532
11.37302415 9.44075403 2.48641819
0.00024372 -0.00085008 0.00020416
0.00743221 -0.02152063 0.01905076
5.45636514 -9.10396221 -10.61620208
-0.00007267 -0.00025319 0.00012931
-0.00094569 0.00342071 -0.00403267
-13.03000968 10.42723741 21.18451399
0.00000987 -0.00003474 0.00013418
0.01026986 0.00108489 -0.00373656
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06832903
0.30850802
411.07147448
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3892285005 (a.u.)
total exchange computation time: 3.2775249481 s
-154.2286505699
-931.37584712
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.055 s
total exchange = -52.3888562167 (a.u.)
total exchange computation time: 3.2803709507 s
-154.2330578249
Anderson extrapolation: theta=1.3525491683 (1.3525491683)
-931.37609746
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3882728511 (a.u.)
total exchange computation time: 3.2773988247 s
-154.2396690744
Anderson extrapolation: theta=0.0537132130 (0.0537132130)
-931.37624845
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.3881788185 (a.u.)
total exchange computation time: 3.2789480686 s
-154.2405785252
Anderson extrapolation: theta=2.0060698006 (2.0000000000)
-931.37625462
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3879772944 (a.u.)
total exchange computation time: 3.2776958942 s
-154.2424641977
Anderson extrapolation: theta=0.2339417335 (0.2339417335)
-931.37626152
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3879324191 (a.u.)
total exchange computation time: 3.2781851292 s
-154.2428399384
Anderson extrapolation: theta=1.8398798922 (1.8398798922)
-931.37626293
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3878739745 (a.u.)
total exchange computation time: 3.2769870758 s
-154.2432868579
Anderson extrapolation: theta=0.2799279656 (0.2799279656)
-931.37626467
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3878805488 (a.u.)
total exchange computation time: 3.2762799263 s
-154.2431882418
Anderson extrapolation: theta=1.2786899836 (1.2786899836)
-931.37626508
238.061608 31.497095 290.200597
-142.039731 489.668646 -804.754163
96.021877 521.165741 -514.553566
738.646941
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.3879045226 (a.u.)
total exchange computation time: 3.2784991264 s
679.16084525
-1084.09990999
89.68203137
-388.87386270
-174.85746481
78.51571621
551.60419304
0.00000000
-931.37626540
-8.78412821 -3.86422515 3.44212045
-0.00015588 -0.00020851 0.00059247
0.00553777 0.01362199 -0.02108980
-17.87261969 4.58815632 6.58272094
0.00016112 -0.00028364 -0.00019676
-0.01403426 -0.03973616 -0.02567462
-15.63557228 -0.92238990 0.55706221
0.00036087 0.00029514 -0.00003617
-0.00867236 -0.00963463 -0.01808166
3.44047468 -20.69556323 15.67002517
-0.00029981 -0.00009919 -0.00021435
0.00124291 0.01185079 -0.00001004
7.46295379 15.90999194 -1.34032515
0.00029218 0.00015538 -0.00008520
0.00250660 0.01818830 0.03484192
-9.78250778 9.64974484 11.13148311
-0.00017816 -0.00019379 0.00003908
0.01710313 -0.04602613 -0.02709671
-8.14110510 -0.57656586 -14.15917057
-0.00040729 0.00023318 -0.00027130
-0.01038396 -0.03032778 -0.01945647
-10.82553819 2.23596800 -7.18327341
-0.00008100 0.00019850 0.00042606
-0.00448618 -0.03663523 -0.04000710
-0.21725440 -5.74795942 15.13512904
-0.00019318 -0.00001923 0.00017756
-0.00196980 0.00453878 0.03077181
-25.43271082 -0.59610949 -20.79083784
-0.00042603 -0.00023297 0.00012347
0.00990841 0.00527548 0.02461988
8.87163285 7.50905059 7.85104063
-0.00003419 0.00001537 -0.00001883
-0.00057569 -0.01036103 0.01033888
20.75756108 28.78499738 -4.89852478
0.00004689 -0.00015327 -0.00027685
0.01619124 -0.01198606 -0.01030260
7.75037980 -1.57785841 -7.19871437
0.00002028 0.00018124 -0.00006463
0.03778388 -0.04031007 -0.01026341
-9.41444175 -3.52894136 13.29064609
0.00045593 0.00005535 0.00046055
-0.02722932 -0.03425345 0.02540300
-1.33156517 -22.75179965 13.87882601
0.00019087 -0.00007827 0.00011309
-0.01872235 -0.00800693 0.01158572
-11.07695964 -8.68549837 -8.30319937
-0.00003266 -0.00012050 0.00034340
-0.03000011 -0.00847485 0.04324213
-15.93732942 -8.53232765 -15.54084614
0.00015780 -0.00001297 0.00009478
-0.01247810 -0.03719353 -0.00488767
16.54256763 12.63120741 3.53051597
0.00041653 0.00025513 0.00009467
-0.00459666 -0.01374082 0.00877346
20.28288175 -4.58054907 -14.73175856
-0.00016800 0.00012930 -0.00006427
0.02084281 -0.02179756 0.00597933
-0.59915705 8.15577241 -14.84663740
0.00034316 -0.00010756 -0.00012368
0.00432291 -0.01449105 -0.00486846
0.77577210 -0.83282564 -16.76844408
-0.00023949 0.00027685 -0.00028869
0.02730757 0.00238422 -0.01107410
11.67004733 21.06907469 -23.12345279
0.00041163 -0.00033300 -0.00021436
-0.04155841 -0.04095646 -0.01113576
-11.26697997 15.20484732 -16.08153146
-0.00010984 0.00010846 -0.00044447
-0.01321377 -0.00625744 -0.01312217
4.37361566 17.53227999 10.92470332
0.00028746 0.00022994 -0.00040665
-0.03157789 0.02076580 0.00396716
-2.07184899 -11.11797791 -3.57274131
-0.00026234 0.00003825 -0.00007298
-0.05348622 0.03673368 0.02710334
1.20099791 -8.04327344 3.71626558
0.00019193 -0.00032785 0.00010855
0.00505825 0.00693462 -0.00699363
9.60784783 1.83505275 8.13616858
0.00005140 0.00030351 0.00026048
-0.01231706 0.02742189 -0.01185581
-6.91414355 -9.41790663 -3.00098200
0.00009920 0.00028915 -0.00015727
-0.03599065 -0.01546197 0.03869625
3.93021392 -12.52161054 -12.94487371
-0.00002990 0.00027315 -0.00013501
-0.01443928 0.02944004 -0.02128812
1.14478156 -4.61166642 -1.00782867
0.00013576 -0.00000315 0.00027976
0.00405802 -0.01647567 0.00909007
16.89044664 4.43661215 27.25171184
0.00030629 0.00004733 -0.00019401
-0.00164377 0.01220745 0.01061651
-9.58944486 6.12646902 -4.48434965
-0.00002066 -0.00028306 0.00006542
-0.02405631 0.05458088 -0.00565730
-5.05095899 14.92299271 -9.15075164
0.00032259 0.00003995 -0.00029031
0.00950460 -0.00331246 0.01026331
3.04854323 12.17198370 -6.82752227
-0.00010445 0.00000586 -0.00005344
0.03156161 0.01929240 -0.02417338
-4.26405976 11.83241306 -13.76860440
0.00010850 0.00036693 0.00003561
0.01175300 -0.00951266 -0.00142874
3.82684255 7.20158218 17.41861541
0.00011939 0.00009986 -0.00007047
0.00599760 0.00591352 -0.00937362
-15.20317985 8.79809837 -9.08025886
-0.00019057 -0.00019925 -0.00002577
0.00273275 -0.00802909 0.02409867
3.73775091 9.25209905 0.45139718
0.00009768 0.00020819 0.00029477
0.00756611 -0.06506613 -0.05500758
15.75547002 -24.00964686 -26.66496506
0.00022735 -0.00005285 -0.00010108
0.00752629 -0.00425503 0.04622534
5.80573318 4.23141021 0.09012100
-0.00019084 -0.00020387 0.00018640
0.00281271 0.02491199 0.00916576
17.06381103 -5.29761590 0.42265617
0.00030042 0.00012843 -0.00030268
-0.00222647 -0.01380140 -0.03023838
-4.56968190 2.53512924 -2.68003948
-0.00008471 -0.00016763 0.00031148
-0.01073201 -0.02146427 -0.00363491
0.92935081 2.36346971 -11.87641428
-0.00005577 0.00024337 -0.00003571
0.00503665 0.00726864 -0.00413733
15.55810812 8.99310187 -7.47580315
-0.00044480 -0.00021158 0.00019524
-0.01573995 -0.03062169 0.00188795
-6.26097223 0.93716184 12.73770984
-0.00036494 -0.00001920 0.00003515
-0.02765452 0.03343552 0.01194292
-3.46856749 -16.14153130 12.71823407
-0.00014229 0.00014350 0.00039358
-0.00772193 -0.07580425 0.00776473
7.02534346 -6.99788746 -6.01479206
0.00014814 0.00021003 -0.00048489
-0.00352886 0.00359226 -0.01686363
-1.14875282 -11.53354880 1.61433704
0.00008957 -0.00006735 -0.00031860
-0.00090360 -0.00849289 -0.00180787
-16.32425728 -1.77665083 5.15610576
0.00035144 0.00005319 0.00042541
-0.02252509 -0.01605371 0.02489204
-9.04941955 3.65601027 -21.88311542
-0.00029310 -0.00038704 -0.00043534
0.00285746 -0.02207126 -0.02888212
2.21226507 1.26800900 -1.30917874
-0.00009089 -0.00012584 0.00008962
-0.03937536 -0.02550239 0.05140847
12.41521257 8.57117569 3.84589518
0.00018601 -0.00010238 -0.00006848
-0.03227587 0.00899456 -0.02919577
-7.26778218 -4.10067613 2.28054222
0.00029878 0.00012954 -0.00077680
-0.02407105 -0.00774431 0.01832630
-10.07209787 -3.08215573 2.31922759
0.00058371 -0.00195537 -0.00044668
0.01824647 -0.00522469 0.00873259
-16.74777022 5.90289693 6.93225693
-0.00020887 -0.00045263 0.00021374
0.02672142 0.02906645 0.00726589
-17.04689786 3.63722915 5.19915337
-0.00052104 -0.00042745 -0.00029401
-0.01267483 0.01319573 0.01595606
-15.98996615 0.90366958 0.64913811
-0.00115730 -0.00116634 -0.00064092
-0.00150131 -0.00608138 -0.00186470
-17.10736198 -1.73798079 -0.27021832
-0.00099645 -0.00049628 -0.00038765
0.01410409 0.01640772 0.00334825
1.78395736 -20.96462860 14.95828610
0.00002347 0.00115311 0.00018978
-0.00651197 -0.00948773 -0.00363594
3.62081111 -18.87365098 15.69201917
-0.00155649 0.00044892 -0.00008725
0.00401523 -0.00034386 0.00527672
8.36677911 14.30357474 -1.30364069
-0.00042125 0.00015017 0.00010556
-0.00002837 -0.00806095 0.00712461
7.57663728 16.62903399 0.39178238
-0.00051161 -0.00063219 0.00041165
-0.00045362 -0.01172839 -0.02914523
-8.45801810 9.18219310 12.38627668
0.00060240 0.00067629 0.00023718
-0.01093795 0.00998115 -0.00258394
-10.51293546 11.15294273 11.69349657
-0.00033542 -0.00024075 -0.00093420
-0.01279534 0.02793092 0.01921221
-9.86062184 0.12821650 -14.37336045
0.00061423 -0.00051179 -0.00088801
0.00884900 0.00468366 0.00929331
-8.29873492 -2.16692460 -15.19202163
0.00005218 0.00079734 0.00037323
0.00828615 0.02819682 0.01061153
-12.28774199 1.09121755 -7.01015233
0.00057164 0.00039051 -0.00044651
0.01802164 0.01187719 0.00581672
-10.64750928 3.53349254 -5.97170859
-0.00091221 0.00055559 0.00071289
-0.00452160 0.02277586 0.02487844
-1.92497885 -6.06570051 14.51991646
0.00040941 -0.00014554 0.00050072
-0.00300403 -0.00755509 0.00058331
-0.30112070 -5.72744582 17.02540077
-0.00031053 0.00028552 0.00063487
0.00058455 -0.00034270 -0.02624449
-24.86814531 -0.53052341 -18.98200065
-0.00027038 -0.00018045 0.00051906
-0.00269539 0.00354777 -0.03267887
-25.61403047 1.10962234 -21.48424788
-0.00001194 0.00029760 -0.00047903
0.00156896 -0.00940194 0.00012665
9.48996621 8.75533073 6.70358236
-0.00015875 -0.00023193 0.00048186
0.00812222 0.00144714 -0.01603616
10.10548300 7.70586042 9.21314458
-0.00003883 0.00056693 -0.00035091
-0.00193306 0.00179025 0.00198704
19.78808794 27.46223931 -4.12749021
0.00008128 0.00029890 0.00007114
-0.00771665 -0.00873139 0.01003992
20.11671501 30.43945267 -4.31534556
-0.00008087 0.00048760 0.00017529
-0.00113635 0.00530518 0.00037528
6.40368826 -0.50670004 -6.87764272
-0.00063149 -0.00093092 -0.00025074
-0.04306658 0.02428549 0.00636977
7.09294012 -3.32070705 -7.23235288
0.00042130 -0.00060716 0.00007215
0.00121418 0.01100361 0.00226758
-8.63831069 -2.37478923 12.22557073
-0.00062382 0.00027136 0.00029916
0.01040431 0.03077580 -0.02635670
-11.14022014 -2.94058309 13.64702730
-0.00080934 -0.00022480 -0.00100527
0.01346912 0.00255830 -0.00349971
-1.47474232 -24.36382769 14.83684976
0.00028491 0.00047070 0.00079977
0.00815206 0.01586633 -0.01529511
-3.08785521 -22.21941189 13.51793733
0.00005054 0.00057992 0.00068081
0.00906203 -0.00581608 0.00889160
-12.21603101 -7.69610284 -7.11358085
-0.00052653 -0.00027485 0.00084023
-0.00079596 -0.02659865 -0.01341509
-10.45078246 -7.36405775 -9.24538173
0.00081714 0.00090832 -0.00096124
0.02656221 0.03946732 -0.02767403
-16.21075298 -10.43387523 -15.65537417
-0.00027732 -0.00014835 -0.00099858
0.01005478 0.04141226 0.00640526
-14.23806976 -8.06827373 -16.16469341
-0.00004627 -0.00019460 -0.00005339
-0.00395969 -0.00465902 0.00104769
16.88075607 12.65086656 5.36235194
0.00072142 0.00035952 0.00028945
0.00204771 0.00284957 -0.00865881
17.39852492 14.03346517 2.77700931
-0.00031374 -0.00011664 -0.00016368
0.00047518 0.01021588 0.00173459
18.58136149 -4.15152084 -15.06411461
-0.00045577 -0.00061948 0.00023569
-0.00984686 0.01044495 -0.00688916
21.46855659 -3.30928944 -15.37807132
-0.00144755 -0.00024963 0.00036522
-0.01051323 0.00907434 -0.00200287
-1.69983492 7.30544449 -13.65047748
0.00114243 0.00028190 0.00008888
0.00590219 -0.00627461 -0.00102921
0.15881783 6.79242302 -15.87422922
-0.00009422 0.00106477 -0.00087731
-0.01011144 0.01246766 0.00986380
0.92984408 0.48032069 -15.49058480
-0.00042219 0.00031627 -0.00017540
0.00000990 -0.00009935 0.00382421
2.59334938 -1.05534126 -17.36396511
0.00035775 0.00002053 -0.00052153
-0.02833315 0.00280039 0.01796441
12.03439885 22.69836328 -22.57992847
0.00014982 0.00046823 0.00111903
0.01824316 0.04797581 0.01649590
9.76615226 21.15154853 -23.12668639
0.00017865 0.00065197 0.00016902
0.02453173 -0.01064058 -0.00325271
-9.99207777 16.17399845 -17.03636825
0.00108248 0.00012240 -0.00047979
-0.00014957 0.00146766 -0.00110774
-10.82548830 14.99887556 -14.37167004
0.00004745 0.00092030 0.00022345
0.01096920 -0.00020733 0.01640403
2.77483196 18.54832065 11.36638959
0.00049087 0.00046808 0.00055606
0.04419204 -0.02735140 -0.01919531
4.91875325 17.89201250 9.18882425
0.00021305 0.00026133 -0.00002084
-0.01293491 0.00368383 0.01234691
-3.79856340 -10.31233984 -3.01281330
0.00025079 -0.00029379 -0.00015223
0.03464057 -0.02319321 -0.03498302
-1.50047754 -11.19274391 -1.83080064
0.00051386 -0.00076651 0.00042551
0.02037058 -0.00693424 0.01083989
0.23539956 -6.91240387 4.75948651
-0.00072908 -0.00052948 0.00033754
-0.00283779 0.00486469 0.01082502
2.88251817 -8.18374972 4.39259770
-0.00105417 -0.00082321 0.00019488
0.00935729 0.00386436 0.01027168
8.44941460 2.04485144 9.55079684
-0.00118860 -0.00022307 -0.00104717
0.00795321 -0.00291753 -0.00683173
9.56639684 3.53532035 7.29027947
0.00038427 0.00009054 0.00034009
0.00123437 -0.02061389 0.01549617
-7.94609060 -8.96635674 -4.39281975
-0.00041016 0.00061290 -0.00010495
-0.00172643 0.01355560 -0.02670954
-8.35050779 -10.18189888 -1.98121135
0.00046977 -0.00012586 0.00030512
0.03005829 0.00761328 -0.00602789
4.92674161 -13.62653700 -11.97640787
-0.00035401 0.00047339 -0.00003852
0.01178065 -0.02247759 0.01229468
2.34812632 -13.21868789 -13.55319532
0.00003248 0.00023668 -0.00105724
-0.00237066 -0.00586362 0.00572766
1.35075905 -6.14246412 0.06771192
0.00004884 0.00070515 -0.00034452
-0.00531651 0.02233875 -0.01083822
-0.13776665 -3.59798789 -0.18438366
-0.00008954 0.00034618 -0.00038389
-0.00105487 -0.00654916 0.00124710
17.51229369 3.54660050 25.82716693
-0.00010303 -0.00036198 0.00001294
0.00360478 -0.00736995 -0.01003377
16.41463734 3.15779064 28.44384475
0.00095682 0.00120821 -0.00061605
-0.00374138 -0.00658062 0.00153661
-10.94539645 7.43147733 -4.13551646
0.00048804 -0.00008186 0.00025001
0.01354470 -0.02833426 0.00803220
-8.60783660 7.29772912 -5.62239144
-0.00015010 -0.00041875 0.00068087
0.00745969 -0.01751196 0.01050390
-6.39659945 16.14624526 -9.18287267
0.00009231 -0.00045990 0.00020745
-0.00288836 -0.00048237 -0.00430622
-4.75572748 14.19903765 -10.80776609
-0.00018737 0.00034582 -0.00029339
-0.00263567 0.00284632 -0.00291269
2.92394349 10.61067451 -6.00857929
-0.00039470 0.00045053 0.00087199
-0.00478475 -0.02731564 0.01594964
1.53890163 13.10939949 -6.76363377
-0.00015384 -0.00014512 -0.00069235
-0.02820108 0.01446874 0.00432007
-2.72125711 10.89552361 -14.25028830
0.00102044 -0.00056879 -0.00011955
-0.00675498 0.01187102 0.00113854
-5.42377058 10.46193834 -13.47862399
0.00054679 -0.00037737 0.00046052
-0.01013656 -0.00054232 0.00434924
4.04723101 7.95232408 19.06994074
0.00078749 -0.00039452 -0.00045094
0.00480214 -0.00062645 0.00866205
2.00819802 7.15096042 17.26737375
0.00022704 -0.00004639 0.00016773
-0.01739759 -0.00947198 0.00067388
-13.46477814 8.67576282 -8.52438873
-0.00110257 0.00031732 -0.00136651
0.00224500 0.00176758 -0.01068339
-16.09242371 8.21381304 -7.55793713
-0.00110314 0.00038858 0.00018841
-0.00321051 0.00387522 -0.00717173
5.22276627 10.16246995 0.22493703
-0.00062271 -0.00032313 -0.00024338
0.03154328 0.03384267 0.01427933
2.37062283 9.43221991 1.49263264
-0.00066534 0.00090697 -0.00045356
-0.03680415 0.02446837 0.03468081
14.31287738 -23.95016230 -25.48615829
0.00022863 0.00049453 -0.00036731
0.00067436 -0.00221311 -0.00588431
14.99706766 -23.73709048 -28.23275697
0.00013172 -0.00107936 0.00035377
-0.01537075 0.00293948 -0.03569654
4.66190133 3.41009594 -1.01886464
-0.00048843 0.00047280 0.00077579
-0.01192822 -0.01577230 -0.01177005
4.81983879 5.81600309 0.24359181
0.00032725 -0.00029991 0.00052063
0.01785993 -0.00222831 0.01208247
16.95896102 -3.67385852 -0.47225798
0.00052581 -0.00014078 0.00046745
0.01073724 -0.01570554 0.00191137
16.69322494 -6.69712836 -0.83300883
-0.00055971 0.00018983 0.00028555
-0.00189018 0.03007580 0.01693614
-6.04869320 2.96063958 -1.66818602
-0.00220134 -0.00047707 0.00046983
0.00132337 0.00887363 -0.00073276
-5.20548902 0.89426823 -3.48890814
-0.00041592 -0.00006607 -0.00108704
0.01530659 0.02112661 0.00594480
2.61308563 2.94504853 -11.28935125
0.00000744 0.00000492 -0.00020922
-0.03236099 -0.01397093 -0.00185509
-0.22195774 1.66485162 -10.58084913
-0.00065603 -0.00040151 0.00111970
0.03115201 0.00355475 -0.00776002
16.81552636 7.64638024 -8.00525106
0.00133019 0.00023269 0.00078632
0.00813083 0.02157703 0.00028654
16.23245162 10.62439420 -7.20554246
-0.00037443 -0.00028923 0.00037313
0.01601664 0.01254726 0.00096957
-6.50759242 0.40016420 11.00794401
-0.00033695 -0.00001863 0.00089709
-0.00570920 0.00211474 -0.01012797
-7.91051454 1.91256824 13.24689802
-0.00023095 0.00013140 0.00112530
0.02867649 -0.03019338 -0.00465129
-2.12475355 -16.69897438 13.96127288
-0.00004320 -0.00109987 0.00003618
-0.02034355 0.02472376 -0.01279721
-4.47517153 -17.85053768 12.60470223
-0.00068650 -0.00000855 -0.00009531
0.02466485 0.04420825 -0.00384912
7.06535608 -6.35154546 -4.27823605
-0.00075557 0.00032293 0.00007254
-0.00710580 -0.00284258 0.00038134
5.55029182 -8.15282664 -6.24115918
-0.00033744 0.00057435 -0.00016389
0.00986111 0.00955467 0.01402763
-2.83789919 -11.58416885 2.33452463
0.00044271 0.00040314 -0.00043109
0.00116904 -0.00023788 0.00079407
-0.20073097 -10.32284476 2.70171015
-0.00015890 0.00011286 -0.00081897
-0.00855697 -0.00147631 -0.00869561
-14.83560015 -0.96952190 5.68410764
0.00018274 -0.00024172 -0.00035161
0.02116325 0.01661192 0.02213450
-16.03775809 -1.78505401 3.37841781
0.00052959 -0.00033855 0.00024130
0.00147336 -0.00221626 -0.03048728
-9.57406270 4.86404694 -23.13009469
0.00012152 -0.00023745 -0.00032102
-0.00279166 0.00465676 -0.01318382
-9.00015944 4.61444241 -20.41434645
0.00004287 -0.00043327 -0.00035759
0.00263400 0.02313477 0.04278802
1.81524422 1.32540387 -3.00313931
-0.00061406 -0.00068195 0.00009988
-0.00083434 0.00275522 -0.05671000
0.62737450 0.47212799 -0.64528964
0.00044971 -0.00013389 -0.00094681
0.02721405 0.01600648 -0.00000378
13.81055910 9.68280250 3.75893635
0.00008142 -0.00088058 -0.00078405
0.02508759 0.01134314 0.00614239
11.37690772 9.42734331 2.49006440
0.00027038 -0.00093469 0.00027784
0.00561549 -0.01989341 0.01701362
5.45527259 -9.10775089 -10.61427321
-0.00007297 -0.00025195 0.00012783
-0.00074986 0.00352725 -0.00427621
-13.02984370 10.42671821 21.18652023
0.00001226 -0.00003449 0.00013330
0.01031102 0.00102921 -0.00385145
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06815121
0.30811419
410.54671500
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3922298750 (a.u.)
total exchange computation time: 3.2788178921 s
-154.2427786217
-931.37568662
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.055 s
total exchange = -52.3917715595 (a.u.)
total exchange computation time: 3.2790679932 s
-154.2477049362
Anderson extrapolation: theta=1.3519543138 (1.3519543138)
-931.37593468
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3910457486 (a.u.)
total exchange computation time: 3.2787408829 s
-154.2551490426
Anderson extrapolation: theta=0.0533207629 (0.0533207629)
-931.37608361
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3909224982 (a.u.)
total exchange computation time: 3.2784910202 s
-154.2562112871
Anderson extrapolation: theta=1.9739768031 (1.9739768031)
-931.37608944
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.060 s
total exchange = -52.3906536653 (a.u.)
total exchange computation time: 3.2774038315 s
-154.2584393731
Anderson extrapolation: theta=0.2245239822 (0.2245239822)
-931.37609563
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3905862666 (a.u.)
total exchange computation time: 3.2785940170 s
-154.2589255937
Anderson extrapolation: theta=1.8509301276 (1.8509301276)
-931.37609681
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3904820209 (a.u.)
total exchange computation time: 3.2789900303 s
-154.2596036934
Anderson extrapolation: theta=0.2726886971 (0.2726886971)
-931.37609819
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3904744754 (a.u.)
total exchange computation time: 3.2773010731 s
-154.2595787855
Anderson extrapolation: theta=1.2991179262 (1.2991179262)
-931.37609850
238.044341 31.454383 290.254787
-142.073336 489.678373 -804.781674
95.971005 521.132757 -514.526888
738.598471
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3904801817 (a.u.)
total exchange computation time: 3.2775990963 s
679.19478983
-1084.18683336
89.68608805
-388.81471724
-174.86494582
78.56735721
551.60419304
0.00000000
-931.37609872
-8.78644506 -3.86730020 3.45092619
-0.00015104 -0.00020203 0.00058081
0.01326675 0.01155049 -0.02427233
-17.87025701 4.58374842 6.57967054
0.00015326 -0.00030426 -0.00020974
-0.01653765 -0.04044855 -0.02480560
-15.63019264 -0.91799989 0.55644984
0.00035456 0.00028725 -0.00004666
-0.01586640 -0.02104819 -0.02270062
3.43598232 -20.69700544 15.66680995
-0.00029837 -0.00009179 -0.00021397
0.00435897 0.01696291 0.00147793
7.46734610 15.91239277 -1.34146868
0.00029316 0.00016516 -0.00006721
0.00132124 0.01983149 0.03511110
-9.78511425 9.64666051 11.13196475
-0.00016875 -0.00021793 0.00002540
0.01950165 -0.04784776 -0.02607092
-8.14725444 -0.57318520 -14.16331516
-0.00041086 0.00021789 -0.00028044
-0.00352222 -0.02913418 -0.01605951
-10.82677053 2.23880421 -7.17703677
-0.00008210 0.00018114 0.00040606
0.00022308 -0.03087476 -0.03779092
-0.22015965 -5.74823033 15.13791109
-0.00019313 -0.00001667 0.00019446
0.00213705 0.00540940 0.03496588
-25.43906300 -0.59958376 -20.78889076
-0.00042089 -0.00022929 0.00013619
0.01006310 0.00907228 0.02484197
8.87111785 7.50924112 7.85079804
-0.00003491 0.00000943 -0.00001309
-0.00225998 -0.01272695 0.01197652
20.75832686 28.78265213 -4.90271729
0.00005500 -0.00015814 -0.00028183
0.01535494 -0.00695412 -0.00906207
7.75082973 -1.57529533 -7.19972335
0.00003952 0.00015945 -0.00006993
0.03702817 -0.04441091 -0.01037349
-9.40770786 -3.52824323 13.29765230
0.00044043 0.00003811 0.00047394
-0.03305756 -0.03280883 0.02668635
-1.32877430 -22.75300463 13.88056709
0.00018094 -0.00008189 0.00011888
-0.01988312 -0.00607382 0.01093834
-11.07756526 -8.68733850 -8.29788159
-0.00004657 -0.00012129 0.00036332
-0.02407901 0.00537686 0.03423181
-15.93501051 -8.53266562 -15.53944328
0.00015105 -0.00003243 0.00009225
-0.01378723 -0.03849589 -0.00493593
16.54879782 12.63498137 3.53196986
0.00041376 0.00024722 0.00009991
-0.00617155 -0.01702867 0.01158964
20.28044216 -4.57869364 -14.73269952
-0.00015882 0.00011673 -0.00006055
0.01486387 -0.02708351 0.00847239
-0.59399294 8.15410318 -14.84851135
0.00034550 -0.00011349 -0.00012626
0.00476524 -0.00858976 -0.00515439
0.77228514 -0.82866362 -16.77281711
-0.00022477 0.00027806 -0.00029455
0.02990722 0.00231935 -0.01171907
11.67606146 21.06392170 -23.12671116
0.00039051 -0.00035118 -0.00021915
-0.04057200 -0.02972752 -0.00749193
-11.26867849 15.20645011 -16.08824913
-0.00011528 0.00010569 -0.00045033
-0.00795700 -0.00452453 -0.00966397
4.37780576 17.53580915 10.91861893
0.00027101 0.00024041 -0.00040370
-0.03241066 0.01997721 0.00747174
-2.07599038 -11.11726242 -3.57373139
-0.00028860 0.00005654 -0.00005800
-0.04863021 0.03439580 0.03114513
1.20389636 -8.04816444 3.71786689
0.00019183 -0.00032351 0.00010467
-0.00543134 0.00992545 -0.00809572
9.60857139 1.83971113 8.14003003
0.00004542 0.00031718 0.00025414
-0.01097048 0.02576611 -0.01278136
-6.91279440 -9.41362900 -3.00319174
0.00008029 0.00028134 -0.00013790
-0.03754669 -0.01491803 0.03663260
3.92970977 -12.51739970 -12.94698103
-0.00003804 0.00028842 -0.00014641
-0.01723407 0.02992247 -0.02303652
1.14683368 -4.61177726 -1.00359725
0.00013764 -0.00001017 0.00028344
0.00323396 -0.01081353 0.00523155
16.89503471 4.43736914 27.24884262
0.00030611 0.00005544 -0.00019030
0.00092519 0.01935236 0.00380993
-9.58984758 6.12243372 -4.48339018
-0.00003316 -0.00025556 0.00006306
-0.02455763 0.05234965 -0.00352060
-5.04608344 14.92357921 -9.15506665
0.00032762 0.00003821 -0.00028475
0.01005337 -0.00347529 0.01133548
3.04709822 12.17214609 -6.82841706
-0.00008832 0.00001548 -0.00006567
0.03116860 0.01808369 -0.02341288
-4.26238698 11.83788025 -13.76807583
0.00011578 0.00036039 0.00003446
0.01658984 -0.01589945 -0.00301057
3.82865656 7.20310286 17.41752222
0.00012254 0.00010254 -0.00007608
0.00625598 0.00450453 -0.01244539
-15.20602793 8.79507872 -9.08055249
-0.00019225 -0.00020326 -0.00001386
-0.00923767 -0.00757691 0.02223785
3.73924534 9.25497091 0.45560657
0.00009934 0.00017368 0.00026758
-0.00111154 -0.06912309 -0.05075069
15.75890937 -24.01045597 -26.66630295
0.00023181 -0.00005505 -0.00007662
0.00978369 -0.00430957 0.04889878
5.80288142 4.22844823 0.09295235
-0.00018865 -0.00019095 0.00019163
0.00570842 0.02535289 0.01116950
17.06830878 -5.29574264 0.41799929
0.00029925 0.00012069 -0.00031712
-0.00231533 -0.01630504 -0.02589559
-4.57099400 2.53253194 -2.67538130
-0.00009283 -0.00017847 0.00031084
-0.02082662 -0.02067827 0.00116209
0.92853368 2.36714829 -11.87696586
-0.00005478 0.00024625 -0.00003637
-0.00120177 0.00392730 0.00156797
15.55137534 8.98981002 -7.47286723
-0.00045191 -0.00022764 0.00019596
-0.01190778 -0.03180836 0.00091836
-6.26655302 0.93700287 12.73828317
-0.00037881 -0.00000150 0.00004299
-0.02626537 0.03539256 0.01852511
-3.47073162 -16.13967127 12.72416774
-0.00014628 0.00010410 0.00039761
-0.00780379 -0.07737476 0.00788932
7.02755199 -6.99472314 -6.02213043
0.00014598 0.00021214 -0.00049245
-0.00487387 0.00460947 -0.01252572
-1.14741274 -11.53459188 1.60955108
0.00008952 -0.00007195 -0.00032008
0.00070667 -0.00938332 -0.00394869
-16.31907261 -1.77591486 5.16258298
0.00033912 0.00004450 0.00043714
-0.02538527 -0.01774785 0.02070428
-9.05380509 3.65011952 -21.88975700
-0.00029158 -0.00039827 -0.00044975
0.00306160 -0.02157996 -0.02714060
2.21074981 1.26602302 -1.30763609
-0.00011035 -0.00013847 0.00011478
-0.03627604 -0.02362520 0.04641235
12.41787828 8.56967461 3.84475529
0.00016916 -0.00009894 -0.00008278
-0.03328378 0.00441896 -0.02637554
-7.26403812 -4.09897040 2.26945172
0.00019471 0.00009749 -0.00069351
-0.02687125 -0.00794453 0.02244642
-10.06278304 -3.11164633 2.31279499
0.00064964 -0.00197208 -0.00041389
0.01402539 -0.00295808 0.00731826
-16.75008443 5.89699824 6.93568565
-0.00009686 -0.00033202 0.00024327
0.02810712 0.02996958 0.00718967
-17.05510185 3.63122181 5.19523220
-0.00057040 -0.00037383 -0.00023039
-0.01148762 0.01305135 0.01518335
-16.00737161 0.88598813 0.63946714
-0.00116436 -0.00117536 -0.00064660
-0.00195430 0.00166567 -0.00091299
-17.12187649 -1.74492227 -0.27593040
-0.00092316 -0.00042292 -0.00036563
0.02177060 0.01950574 0.00742810
1.78410979 -20.94762271 14.96102136
-0.00001208 0.00110965 0.00017091
-0.01088823 -0.01178757 -0.00560115
3.59758674 -18.86692765 15.69087209
-0.00153702 0.00044156 -0.00006459
0.00551610 -0.00326087 0.00581739
8.36045952 14.30558027 -1.30183895
-0.00041899 0.00011301 0.00013405
0.00113475 -0.01012750 0.00681931
7.56894929 16.61919175 0.39706395
-0.00051351 -0.00067944 0.00029187
-0.00048044 -0.01140160 -0.02948428
-8.44931722 9.19264333 12.38975516
0.00055401 0.00071730 0.00022414
-0.01275085 0.01009374 -0.00379673
-10.51835880 11.15018734 11.68007236
-0.00038899 -0.00012328 -0.00085482
-0.01343116 0.02957095 0.01964479
-9.85113724 0.12068318 -14.38639584
0.00063687 -0.00048619 -0.00085095
0.00223441 0.00784565 0.00884834
-8.29769836 -2.15410046 -15.18609806
0.00008580 0.00090293 0.00041084
0.00817418 0.02348822 0.00780281
-12.27861514 1.09743919 -7.01667171
0.00063656 0.00043288 -0.00042156
0.01375785 0.00886101 0.00639498
-10.66133104 3.54252428 -5.96025290
-0.00093114 0.00064288 0.00080850
-0.00474553 0.01995585 0.02192257
-1.91892974 -6.06811506 14.52744510
0.00038851 -0.00017765 0.00049961
-0.00722937 -0.00816339 -0.00112488
-0.30576073 -5.72317350 17.03411965
-0.00030749 0.00028363 0.00052256
0.00090490 -0.00058373 -0.02873485
-24.87228360 -0.53312140 -18.97521618
-0.00028222 -0.00016576 0.00038139
-0.00310161 0.00364252 -0.03470998
-25.61416156 1.11379828 -21.49142938
-0.00000491 0.00025109 -0.00047540
0.00187329 -0.01336582 0.00164989
9.48783378 8.75189611 6.71031887
-0.00012383 -0.00021996 0.00040987
0.00897528 0.00441015 -0.01920391
10.10484129 7.71441925 9.20794179
-0.00004501 0.00057310 -0.00033952
-0.00109352 0.00122930 0.00359157
19.78907061 27.46645520 -4.12611539
0.00004835 0.00026082 0.00011332
-0.00839957 -0.00990653 0.01060734
20.11546716 30.44692920 -4.31270474
-0.00008219 0.00050210 0.00017350
0.00048749 0.00179176 -0.00124954
6.39289617 -0.51991960 -6.88120860
-0.00080836 -0.00083005 -0.00022465
-0.04351269 0.02509030 0.00639845
7.09929681 -3.32947728 -7.23120112
0.00042923 -0.00055571 0.00008141
0.00266768 0.01418096 0.00226417
-8.64734923 -2.36977582 12.22925040
-0.00057895 0.00039846 0.00018912
0.01156355 0.03144232 -0.02750525
-11.15194751 -2.94387669 13.63184101
-0.00074497 -0.00021864 -0.00101975
0.01804253 0.00045638 -0.00359055
-1.47021894 -24.35628096 14.84837769
0.00031748 0.00053340 0.00073779
0.00779414 0.01482442 -0.01504528
-3.08681938 -22.21089124 13.52842189
0.00008913 0.00055445 0.00071738
0.00982718 -0.00665351 0.00901302
-12.22395333 -7.70104062 -7.10138851
-0.00052578 -0.00038364 0.00078052
0.00116369 -0.02665713 -0.01581441
-10.43771139 -7.34922350 -9.26064830
0.00090971 0.00104111 -0.00105128
0.01875017 0.02553224 -0.01640055
-16.21460461 -10.43483144 -15.67015652
-0.00023549 0.00002276 -0.00097116
0.01041946 0.04234784 0.00701515
-14.23888518 -8.07133551 -16.16546221
-0.00006028 -0.00021283 -0.00004995
-0.00289843 -0.00426451 0.00063862
16.89164018 12.65634665 5.36642833
0.00072898 0.00037090 0.00025150
0.00165263 0.00272222 -0.00991615
17.39383338 14.03202856 2.77460719
-0.00030780 -0.00006821 -0.00015977
0.00243487 0.01349513 0.00017990
18.57422324 -4.16049301 -15.06079039
-0.00049462 -0.00057744 0.00020803
-0.00917311 0.01013365 -0.00665017
21.44652111 -3.31275576 -15.37265437
-0.00147950 -0.00020151 0.00035133
-0.00512481 0.01448004 -0.00479548
-1.68251755 7.30948075 -13.64917589
0.00116228 0.00025154 0.00008918
0.00381249 -0.00858634 0.00117949
0.15709462 6.80877661 -15.88708657
-0.00013271 0.00110840 -0.00084102
-0.00872711 0.00889200 0.00789823
0.92351151 0.48506170 -15.49309868
-0.00042134 0.00031469 -0.00016114
0.00040654 -0.00067369 0.00315622
2.59784745 -1.05494748 -17.37123761
0.00023585 0.00003348 -0.00044533
-0.03134100 0.00353777 0.01933848
12.03720524 22.70685685 -22.56263750
0.00022068 0.00064257 0.00117950
0.01644045 0.03736756 0.01310523
9.76958377 21.16100207 -23.12425074
0.00028067 0.00060658 0.00015489
0.02540617 -0.01157814 -0.00366503
-9.97584519 16.17587937 -17.04359906
0.00107414 0.00012373 -0.00048034
-0.00393308 -0.00081597 0.00083846
-10.82444037 15.01267376 -14.36781569
0.00008851 0.00092036 0.00027983
0.00912954 0.00023238 0.01119532
2.78354914 18.55450365 11.37414230
0.00067188 0.00035615 0.00047590
0.04441281 -0.02743848 -0.02004497
4.92155263 17.89604531 9.18889006
0.00016133 0.00027797 0.00002420
-0.01238142 0.00446462 0.00969905
-3.79374008 -10.31745741 -3.01616867
0.00038770 -0.00038583 -0.00029266
0.03237654 -0.02185886 -0.03376145
-1.49214547 -11.20445404 -1.82408589
0.00059190 -0.00079328 0.00045937
0.01783099 -0.00616837 0.00573916
0.22437642 -6.92019699 4.76488138
-0.00073546 -0.00051458 0.00037720
-0.00028646 0.00242810 0.00858701
2.86699240 -8.19597951 4.39583568
-0.00100029 -0.00080825 0.00024358
0.01701413 0.00345948 0.01356860
8.43182937 2.04141607 9.53487989
-0.00115871 -0.00023428 -0.00107171
0.00667414 -0.00257203 -0.00518061
9.57219876 3.53604675 7.29585568
0.00038887 0.00000919 0.00040203
0.00101560 -0.01920711 0.01482163
-7.95229585 -8.95674786 -4.39521253
-0.00041418 0.00066614 -0.00020810
-0.00024478 0.01250696 -0.02377846
-8.34254019 -10.18355341 -1.97681926
0.00059246 -0.00009386 0.00027871
0.03000256 0.00804883 -0.00690124
4.92179243 -13.62012488 -11.97660895
-0.00030397 0.00037897 0.00001366
0.01271555 -0.02374248 0.01324634
2.34854080 -13.21531742 -13.56887846
0.00002651 0.00021397 -0.00103184
-0.00055136 -0.00525299 0.00670804
1.35132867 -6.13120229 0.06221193
0.00002816 0.00078616 -0.00038108
-0.00480473 0.01731406 -0.00705466
-0.13914204 -3.59299584 -0.19010373
-0.00009311 0.00031838 -0.00037851
-0.00069588 -0.00706002 0.00138347
17.51085864 3.54094503 25.82705359
-0.00008772 -0.00039219 -0.00002939
0.00389302 -0.00741822 -0.01068700
16.42887496 3.17571216 28.43465106
0.00093565 0.00116689 -0.00059472
-0.00662173 -0.01364568 0.00890743
-10.93766080 7.42938121 -4.13152016
0.00054028 -0.00019591 0.00028348
0.01202642 -0.02749708 0.00834888
-8.60985955 7.29091119 -5.61185646
-0.00011593 -0.00048729 0.00071906
0.00926748 -0.01603554 0.00818761
-6.39530336 16.13933190 -9.17989290
0.00007866 -0.00045991 0.00019004
-0.00379331 0.00047780 -0.00421288
-4.75861887 14.20431217 -10.81225619
-0.00019737 0.00035591 -0.00030763
-0.00225473 0.00209503 -0.00405914
2.91787643 10.61659538 -5.99501073
-0.00041377 0.00034137 0.00093606
-0.00455004 -0.02611642 0.01541338
1.53572983 13.10766599 -6.77388668
-0.00026892 -0.00008559 -0.00067490
-0.02813033 0.01467461 0.00422343
-2.70615755 10.88735546 -14.25204670
0.00098043 -0.00051210 -0.00011134
-0.01282649 0.01587926 0.00287901
-5.41587931 10.45626123 -13.47158297
0.00050815 -0.00037491 0.00047731
-0.00878131 0.00174418 0.00387099
4.05919053 7.94638712 19.06344213
0.00080768 -0.00039455 -0.00040964
0.00508239 0.00060967 0.01155332
2.01107044 7.14997426 17.26991037
0.00015468 -0.00008476 0.00017083
-0.01801943 -0.00930995 0.00084391
-13.48124786 8.68057683 -8.54521369
-0.00107444 0.00032229 -0.00140209
0.01152215 0.00066432 -0.00673325
-16.10906918 8.21976052 -7.55533069
-0.00111063 0.00040570 0.00015487
-0.00045470 0.00450629 -0.00924864
5.21439227 10.15866004 0.22172385
-0.00048219 -0.00017642 -0.00018736
0.03723960 0.03797093 0.01314275
2.35951495 9.44657428 1.48689192
-0.00080977 0.00100673 -0.00031794
-0.03389745 0.02436582 0.03170603
14.31632746 -23.94281216 -25.49184829
0.00022987 0.00048523 -0.00038862
-0.00006826 -0.00234066 -0.00454669
14.99857242 -23.75319086 -28.22854423
0.00006562 -0.00106692 0.00019957
-0.01698478 0.00315400 -0.03978518
4.65420929 3.41670465 -1.00758853
-0.00054151 0.00040443 0.00072283
-0.01405436 -0.01769641 -0.01415154
4.82529486 5.81143609 0.25177155
0.00039837 -0.00030508 0.00057043
0.01695469 -0.00030113 0.01229310
16.96717713 -3.67645145 -0.46518759
0.00056912 -0.00019699 0.00046993
0.01046483 -0.01180865 -0.00069990
16.68477133 -6.69335934 -0.82820658
-0.00056760 0.00031045 0.00035131
-0.00197130 0.02896747 0.01525457
-6.08167272 2.95375551 -1.66116102
-0.00217653 -0.00044629 0.00045471
0.01081969 0.00619081 -0.00666728
-5.21125873 0.89392452 -3.50503155
-0.00035150 0.00002382 -0.00105933
0.01622354 0.02287695 0.00761757
2.61220562 2.94469417 -11.29254641
-0.00012262 -0.00005143 -0.00021598
-0.03130309 -0.01361065 -0.00145331
-0.23084359 1.65893797 -10.56429147
-0.00051802 -0.00038104 0.00107551
0.03640283 0.00646121 -0.01386885
16.83572837 7.65053181 -7.99344747
0.00135671 0.00032279 0.00078812
0.00484859 0.02252706 0.00059398
16.22732600 10.62044023 -7.19991580
-0.00031047 -0.00023740 0.00037777
0.01529190 0.01282267 0.00130209
-6.51282159 0.39994950 11.02109003
-0.00036249 -0.00001265 0.00084461
-0.00679169 0.00081292 -0.01556012
-7.91310003 1.91361400 13.26363504
-0.00011400 0.00000734 0.00110438
0.02857169 -0.03053196 -0.00559261
-2.12602496 -16.71471486 13.96142345
-0.00012708 -0.00099729 -0.00001694
-0.02071489 0.02548943 -0.01320413
-4.48471327 -17.84931119 12.60315465
-0.00058482 0.00017432 -0.00011062
0.02511175 0.04530444 -0.00364687
7.05380471 -6.34678855 -4.27713626
-0.00078311 0.00030944 0.00006767
-0.00637068 -0.00376162 -0.00276597
5.54553241 -8.14391853 -6.24318763
-0.00029597 0.00061324 -0.00010801
0.01043814 0.00948115 0.01332372
-2.83122278 -11.57812905 2.32808263
0.00044150 0.00040151 -0.00042578
-0.00176057 -0.00055951 0.00180470
-0.20337661 -10.32119713 2.68915909
-0.00019104 0.00010954 -0.00085216
-0.00717662 -0.00014570 -0.00755078
-14.83221048 -0.97263867 5.67951178
0.00027646 -0.00016969 -0.00025801
0.02471258 0.01864776 0.02368190
-16.02976905 -1.79020022 3.38110309
0.00053410 -0.00034780 0.00012107
0.00073552 -0.00230947 -0.02836739
-9.57232547 4.86062790 -23.13531394
0.00010932 -0.00021748 -0.00037602
-0.00317750 0.00511889 -0.01373900
-8.99943567 4.60865225 -20.41839916
0.00005375 -0.00034051 -0.00018517
0.00269286 0.02227375 0.04161437
1.80600775 1.31525903 -3.00337883
-0.00061438 -0.00066991 -0.00012850
0.00067644 0.00313923 -0.05508467
0.63495413 0.47061007 -0.65949191
0.00055158 -0.00007315 -0.00093967
0.02265258 0.01372772 0.00349932
13.81254912 9.66994135 3.74736390
0.00019065 -0.00082904 -0.00075918
0.02838463 0.01388488 0.00602797
11.38113544 9.41271339 2.49475331
0.00028884 -0.00101188 0.00034205
0.00342268 -0.01789292 0.01441966
5.45417601 -9.11152062 -10.61236731
-0.00007321 -0.00025067 0.00012626
-0.00056336 0.00363117 -0.00449650
-13.02964182 10.42620260 21.18851307
0.00001466 -0.00003426 0.00013240
0.01031079 0.00097827 -0.00394638
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06816798
0.30793074
410.30227768
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.060 s
total exchange = -52.3946037752 (a.u.)
total exchange computation time: 3.2770841122 s
-154.2579582961
-931.37573974
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3941099941 (a.u.)
total exchange computation time: 3.2789731026 s
-154.2631690523
Anderson extrapolation: theta=1.3445816900 (1.3445816900)
-931.37598459
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.3933451171 (a.u.)
total exchange computation time: 3.2785558701 s
-154.2709498648
Anderson extrapolation: theta=0.0504231932 (0.0504231932)
-931.37612985
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3932265106 (a.u.)
total exchange computation time: 3.2780790329 s
-154.2719998221
Anderson extrapolation: theta=1.8932412388 (1.8932412388)
-931.37613501
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3929775412 (a.u.)
total exchange computation time: 3.2778449059 s
-154.2741318419
Anderson extrapolation: theta=0.2143676539 (0.2143676539)
-931.37614006
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.3929169985 (a.u.)
total exchange computation time: 3.2784409523 s
-154.2745922348
Anderson extrapolation: theta=1.8953703699 (1.8953703699)
-931.37614095
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3928216596 (a.u.)
total exchange computation time: 3.2769010067 s
-154.2752574854
Anderson extrapolation: theta=0.2819054541 (0.2819054541)
-931.37614200
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3928148648 (a.u.)
total exchange computation time: 3.2791359425 s
-154.2752437940
Anderson extrapolation: theta=1.3203318150 (1.3203318150)
-931.37614224
238.034922 31.429767 290.307425
-142.102847 489.693712 -804.809632
95.932075 521.123479 -514.502207
738.569675
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3928211490 (a.u.)
total exchange computation time: 3.2767920494 s
679.22464985
-1084.26553725
89.69057223
-388.76117165
-174.87183443
78.61458304
551.60419304
0.00000000
-931.37614240
-8.78865956 -3.87028615 3.45954468
-0.00014237 -0.00019661 0.00056774
0.02045340 0.00953632 -0.02656197
-17.86802190 4.57902847 6.57642878
0.00014434 -0.00032479 -0.00022203
-0.01815997 -0.03938176 -0.02298865
-15.62493541 -0.91377227 0.55566235
0.00034489 0.00027362 -0.00005933
-0.02173207 -0.03198096 -0.02656861
3.43152359 -20.69831679 15.66360614
-0.00029543 -0.00008183 -0.00021285
0.00708000 0.02175314 0.00286883
7.47174861 15.91494659 -1.34234134
0.00029357 0.00017561 -0.00004928
0.00028515 0.02083512 0.03459321
-9.78757028 9.64320705 11.13224526
-0.00015835 -0.00024258 0.00001235
0.02095278 -0.04802069 -0.02468243
-8.15343096 -0.57002930 -14.16758365
-0.00041079 0.00020340 -0.00028765
0.00381534 -0.02718319 -0.01197456
-10.82800115 2.24140224 -7.17109167
-0.00008065 0.00016707 0.00038741
0.00542436 -0.02384826 -0.03473840
-0.22304840 -5.74845950 15.14096290
-0.00019102 -0.00001368 0.00021329
0.00609930 0.00622951 0.03826749
-25.44533755 -0.60298805 -20.78675203
-0.00041572 -0.00022375 0.00014885
0.01003900 0.01244395 0.02438218
8.87058541 7.50933346 7.85064784
-0.00003646 0.00000238 -0.00000661
-0.00374386 -0.01470062 0.01324301
20.75921109 28.78025323 -4.90697971
0.00006262 -0.00016055 -0.00028612
0.01426481 -0.00242211 -0.00762852
7.75156532 -1.57307487 -7.20081235
0.00005793 0.00013607 -0.00007518
0.03456622 -0.04650930 -0.01001704
-9.40122899 -3.52779820 13.30486439
0.00042230 0.00002190 0.00048760
-0.03742274 -0.03020943 0.02640190
-1.32613682 -22.75425648 13.88239255
0.00017051 -0.00008443 0.00012429
-0.02067902 -0.00378702 0.01007071
-11.07835665 -8.68913714 -8.29229972
-0.00005736 -0.00011519 0.00037854
-0.01787726 0.01835063 0.02496524
-15.93279797 -8.53330058 -15.53807850
0.00014366 -0.00005232 0.00008972
-0.01494715 -0.03885400 -0.00492383
16.55498040 12.63862396 3.53351317
0.00041023 0.00023770 0.00010649
-0.00754479 -0.01999206 0.01400376
20.27811724 -4.57704716 -14.73357512
-0.00015289 0.00010142 -0.00005556
0.00819206 -0.03244734 0.01092794
-0.58879207 8.15236767 -14.85042507
0.00034800 -0.00011632 -0.00012889
0.00494161 -0.00241608 -0.00509388
0.76902890 -0.82448370 -16.77728056
-0.00020894 0.00027929 -0.00030066
0.03167884 0.00246196 -0.01202831
11.68176258 21.05853937 -23.13002733
0.00037011 -0.00036339 -0.00022194
-0.03874037 -0.01777824 -0.00335995
-11.27043840 15.20801800 -16.09504135
-0.00011804 0.00010377 -0.00045427
-0.00277149 -0.00295624 -0.00564794
4.38174583 17.53949243 10.91259219
0.00025433 0.00025032 -0.00039897
-0.03243220 0.01854865 0.01094700
-2.08050694 -11.11628158 -3.57448120
-0.00031209 0.00007348 -0.00004103
-0.04270734 0.03146859 0.03482693
1.20675291 -8.05297887 3.71940575
0.00018640 -0.00031762 0.00010025
-0.01569495 0.01299623 -0.00908848
9.60921032 1.84456828 8.14379287
0.00004014 0.00032985 0.00024740
-0.00955546 0.02347389 -0.01345743
-6.91173492 -9.40946645 -3.00511888
0.00006063 0.00027394 -0.00011984
-0.03890572 -0.01386511 0.03356410
3.92907267 -12.51295802 -12.94926608
-0.00004743 0.00030372 -0.00015853
-0.01928579 0.02957288 -0.02409060
1.14891075 -4.61197152 -0.99932548
0.00013906 -0.00001408 0.00028501
0.00227470 -0.00440154 0.00089013
16.89962991 4.43827543 27.24600279
0.00030728 0.00006716 -0.00019022
0.00362274 0.02619574 -0.00351062
-9.59043976 6.11880228 -4.48245786
-0.00004584 -0.00022942 0.00006183
-0.02475382 0.04927870 -0.00126168
-5.04113034 14.92413890 -9.15929421
0.00033291 0.00003639 -0.00027868
0.01049222 -0.00356905 0.01226930
3.04589367 12.17244798 -6.82949246
-0.00007269 0.00002433 -0.00007734
0.02958643 0.01636171 -0.02197276
-4.26058621 11.84322477 -13.76757048
0.00012532 0.00035068 0.00003259
0.02049560 -0.02186730 -0.00425686
3.83051884 7.20465830 17.41633303
0.00012569 0.00010453 -0.00008322
0.00597510 0.00322980 -0.01532146
-15.20894727 8.79200061 -9.08067457
-0.00020014 -0.00020701 -0.00000298
-0.02146461 -0.00702372 0.02006702
3.74073120 9.25730951 0.45942444
0.00009649 0.00013744 0.00024286
-0.01000208 -0.07180022 -0.04537040
15.76242421 -24.01129833 -26.66726360
0.00023724 -0.00005720 -0.00005127
0.01135718 -0.00407044 0.04967687
5.80007370 4.22568184 0.09586986
-0.00018506 -0.00017800 0.00019772
0.00826036 0.02497560 0.01253303
17.07278867 -5.29399517 0.41314263
0.00029808 0.00011169 -0.00032916
-0.00223556 -0.01868848 -0.02092732
-4.57246678 2.52977510 -2.67071416
-0.00010584 -0.00018887 0.00031251
-0.02977052 -0.01975075 0.00530009
0.92770727 2.37085717 -11.87750535
-0.00005697 0.00024746 -0.00003437
-0.00730239 0.00080046 0.00620837
15.54455070 8.98627278 -7.46992423
-0.00045698 -0.00024405 0.00019626
-0.00779048 -0.03201100 0.00022525
-6.27233645 0.93711695 12.73899942
-0.00039184 0.00001708 0.00005407
-0.02439708 0.03684474 0.02456316
-3.47295595 -16.13840817 12.73016228
-0.00015030 0.00006418 0.00040159
-0.00782811 -0.07788801 0.00759249
7.02972291 -6.99152326 -6.02956543
0.00014317 0.00021481 -0.00049778
-0.00607243 0.00576441 -0.00821711
-1.14606721 -11.53570736 1.60473465
0.00009027 -0.00007704 -0.00032269
0.00219673 -0.01041754 -0.00618652
-16.31408378 -1.77531581 5.16921993
0.00032565 0.00003507 0.00044662
-0.02699146 -0.01893074 0.01617298
-9.05816702 3.64406229 -21.89660796
-0.00028996 -0.00040891 -0.00046291
0.00324921 -0.01980493 -0.02402070
2.20895469 1.26385478 -1.30573538
-0.00012810 -0.00015000 0.00013669
-0.03275187 -0.02119069 0.03880994
12.42028722 8.56820763 3.84341192
0.00015213 -0.00009774 -0.00009547
-0.03292342 0.00023958 -0.02298030
-7.26194090 -4.09775156 2.25973688
0.00008086 0.00006454 -0.00059455
-0.02885716 -0.00818023 0.02599776
-10.05260865 -3.14131821 2.30681091
0.00069770 -0.00197942 -0.00038759
0.00949934 -0.00063362 0.00555715
-16.75067605 5.89293627 6.93955500
0.00001839 -0.00021056 0.00027173
0.02830752 0.02948507 0.00674243
-17.06400986 3.62601434 5.19224155
-0.00061426 -0.00032162 -0.00017110
-0.00998087 0.01250540 0.01383995
-16.02489684 0.86840877 0.62974021
-0.00117369 -0.00115227 -0.00064845
-0.00261314 0.00963546 0.00000529
-17.13505677 -1.75066832 -0.28118724
-0.00082090 -0.00033831 -0.00032838
0.02828681 0.02190899 0.01080472
1.78359493 -20.93133923 14.96341335
-0.00006485 0.00105709 0.00014428
-0.01494211 -0.01393737 -0.00743151
3.57470043 -18.86040417 15.69008154
-0.00151133 0.00042265 -0.00003978
0.00705928 -0.00599820 0.00632430
8.35420948 14.30696512 -1.29961927
-0.00041234 0.00006797 0.00016118
0.00212138 -0.01192366 0.00646302
7.56123185 16.60865073 0.40053855
-0.00051548 -0.00072460 0.00017241
-0.00048285 -0.01070303 -0.02899369
-8.44139780 9.20371217 12.39300095
0.00049869 0.00075839 0.00020652
-0.01433013 0.01001926 -0.00482887
-10.52460530 11.14924423 11.66785211
-0.00044375 -0.00000214 -0.00077480
-0.01337276 0.02972749 0.01952100
-9.84151571 0.11363069 -14.39888896
0.00063153 -0.00044735 -0.00081603
-0.00485054 0.01116661 0.00824492
-8.29616083 -2.13983682 -15.17969630
0.00011889 0.00098746 0.00043592
0.00802337 0.01789321 0.00447312
-12.26864512 1.10420388 -7.02279917
0.00068296 0.00046200 -0.00039429
0.00895398 0.00539317 0.00695392
-10.67544362 3.55277903 -5.94745365
-0.00095095 0.00071699 0.00089039
-0.00494758 0.01631817 0.01816538
-1.91332370 -6.07102990 14.53490480
0.00035066 -0.00021218 0.00049163
-0.01129406 -0.00874240 -0.00278155
-0.31034531 -5.71893694 17.04107748
-0.00030320 0.00028078 0.00040178
0.00119295 -0.00081311 -0.03038706
-24.87661198 -0.53549616 -18.97055896
-0.00029522 -0.00015068 0.00023720
-0.00326220 0.00374016 -0.03587004
-25.61417784 1.11715508 -21.49850976
0.00000320 0.00018926 -0.00046589
0.00209930 -0.01690085 0.00300452
9.48625141 8.74873178 6.71587844
-0.00008580 -0.00019677 0.00032579
0.00963960 0.00694487 -0.02195350
10.10413256 7.72305341 9.20295911
-0.00004780 0.00057702 -0.00032165
-0.00026866 0.00069099 0.00515268
19.78953850 27.47006395 -4.12409048
0.00001326 0.00021878 0.00015732
-0.00877729 -0.01067160 0.01093063
20.11424919 30.45451554 -4.31014050
-0.00007699 0.00050250 0.00016515
0.00205941 -0.00159564 -0.00283828
6.37943736 -0.53160147 -6.88438235
-0.00098312 -0.00072892 -0.00019939
-0.04203053 0.02441164 0.00597106
7.10581698 -3.33737843 -7.22991058
0.00044267 -0.00049232 0.00009062
0.00391377 0.01684993 0.00224205
-8.65567909 -2.36283544 12.23124439
-0.00053114 0.00052542 0.00007705
0.01183686 0.03070582 -0.02735319
-11.16256913 -2.94714232 13.61643466
-0.00066312 -0.00022063 -0.00103405
0.02202402 -0.00143064 -0.00340663
-1.46521789 -24.34782571 14.85898355
0.00034852 0.00059090 0.00067749
0.00739880 0.01332050 -0.01447552
-3.08518127 -22.20277835 13.53945882
0.00013025 0.00052580 0.00075426
0.01029895 -0.00736976 0.00903866
-12.23180434 -7.70761212 -7.09016537
-0.00051776 -0.00049186 0.00071186
0.00276260 -0.02631418 -0.01779401
-10.42349118 -7.33282447 -9.27691999
0.00097058 0.00111799 -0.00109558
0.01104810 0.01210087 -0.00528652
-16.21781768 -10.43319232 -15.68450894
-0.00019252 0.00019564 -0.00094142
0.01061255 0.04227636 0.00754254
-14.23987823 -8.07465864 -16.16619186
-0.00006991 -0.00022934 -0.00004818
-0.00181433 -0.00381771 0.00022820
16.90262557 12.66199357 5.36989699
0.00073499 0.00038174 0.00020901
0.00128688 0.00258399 -0.01088247
17.38929106 14.03141902 2.77221609
-0.00029432 -0.00000701 -0.00016200
0.00416326 0.01646142 -0.00126928
18.56652280 -4.16884412 -15.05787374
-0.00052963 -0.00053702 0.00018160
-0.00796424 0.00965362 -0.00628929
21.42417155 -3.31533466 -15.36753132
-0.00148909 -0.00013082 0.00032584
0.00043187 0.02012375 -0.00768255
-1.66496652 7.31299079 -13.64780201
0.00117365 0.00021184 0.00009854
0.00175287 -0.01085005 0.00340197
0.15483657 6.82567516 -15.89945986
-0.00016510 0.00113678 -0.00081354
-0.00712769 0.00499852 0.00555440
0.91720386 0.48976141 -15.49541913
-0.00041894 0.00031068 -0.00014971
0.00077033 -0.00129173 0.00244024
2.60042475 -1.05433689 -17.37732493
0.00010340 0.00004916 -0.00036423
-0.03349265 0.00413723 0.02036136
12.04101920 22.71764053 -22.54454335
0.00028375 0.00077193 0.00122508
0.01443275 0.02595401 0.00920694
9.77457233 21.16974602 -23.12203970
0.00038504 0.00055758 0.00013906
0.02568514 -0.01241007 -0.00408215
-9.95985365 16.17771028 -17.05077847
0.00105068 0.00011610 -0.00047328
-0.00755186 -0.00291962 0.00261937
-10.82283293 15.02648621 -14.36327521
0.00012187 0.00092213 0.00031416
0.00719698 0.00063497 0.00561274
2.79498821 18.55900505 11.38066653
0.00085177 0.00024510 0.00039298
0.04364473 -0.02691849 -0.02054312
4.92359321 17.90035174 9.18955029
0.00011223 0.00029788 0.00005775
-0.01165549 0.00528002 0.00672357
-3.78693253 -10.32391462 -3.02159315
0.00051351 -0.00047146 -0.00042720
0.02921008 -0.02006178 -0.03209543
-1.48272060 -11.21654220 -1.81701941
0.00065921 -0.00081665 0.00047233
0.01511627 -0.00527159 0.00060247
0.21333572 -6.92784130 4.77080252
-0.00073126 -0.00050969 0.00040758
0.00234301 -0.00003510 0.00628373
2.85250935 -8.20799728 4.39990524
-0.00091579 -0.00079509 0.00030564
0.02435071 0.00298271 0.01680852
8.41465316 2.03782306 9.51864545
-0.00113426 -0.00024412 -0.00108945
0.00529903 -0.00224546 -0.00350038
9.57806291 3.53559603 7.30234025
0.00039257 -0.00006515 0.00046051
0.00079476 -0.01718427 0.01380528
-7.95851610 -8.94637248 -4.39906260
-0.00041138 0.00071457 -0.00029792
0.00161645 0.01120060 -0.02019159
-8.33273386 -10.18471467 -1.97285012
0.00071374 -0.00006060 0.00024936
0.02936332 0.00823287 -0.00746325
4.91762254 -13.61516785 -11.97599821
-0.00025152 0.00028110 0.00006834
0.01295680 -0.02416700 0.01352150
2.34892150 -13.21226889 -13.58415048
0.00002791 0.00019379 -0.00100245
0.00123736 -0.00462427 0.00767996
1.35160382 -6.11887935 0.05627960
0.00000985 0.00084502 -0.00040114
-0.00415562 0.01149655 -0.00276389
-0.14056008 -3.58843646 -0.19573900
-0.00009523 0.00028858 -0.00037262
-0.00034065 -0.00752759 0.00150205
17.50966218 3.53483492 25.82628530
-0.00007162 -0.00042206 -0.00007346
0.00398660 -0.00720710 -0.01088901
16.44270675 3.19279739 28.42600328
0.00090284 0.00109679 -0.00054314
-0.00943821 -0.02067174 0.01633820
-10.92918810 7.42559990 -4.12701220
0.00058533 -0.00030539 0.00031840
0.01002841 -0.02609398 0.00874510
-8.61131453 7.28311051 -5.60081969
-0.00007410 -0.00054921 0.00074736
0.01121139 -0.01427562 0.00566663
-6.39423974 16.13244783 -9.17717132
0.00006157 -0.00045621 0.00017312
-0.00457299 0.00133638 -0.00407133
-4.76164843 14.20971508 -10.81699507
-0.00020579 0.00036300 -0.00032637
-0.00187134 0.00137136 -0.00511322
2.91153051 10.62091567 -5.98049755
-0.00043165 0.00023949 0.00099659
-0.00420377 -0.02375354 0.01421993
1.53083403 13.10683184 -6.78388076
-0.00038148 -0.00002656 -0.00065792
-0.02696659 0.01421790 0.00408969
-2.69184409 10.88016049 -14.25362865
0.00091731 -0.00044012 -0.00009655
-0.01807286 0.01935870 0.00436230
-5.40852621 10.45069102 -13.46430471
0.00047526 -0.00036289 0.00049204
-0.00731647 0.00414177 0.00333808
4.07146154 7.94048753 19.05765158
0.00082892 -0.00038984 -0.00035711
0.00531344 0.00169664 0.01416153
2.01283852 7.14841753 17.27249870
0.00008095 -0.00012241 0.00017482
-0.01807336 -0.00912078 0.00110885
-13.49701143 8.68543155 -8.56645130
-0.00100772 0.00032281 -0.00142152
0.02113828 -0.00041162 -0.00278101
-16.12574253 8.22598418 -7.55329107
-0.00110700 0.00042513 0.00011344
0.00223209 0.00500470 -0.01103096
5.20830055 10.15717722 0.21931614
-0.00032169 -0.00001499 -0.00013570
0.04132880 0.04105120 0.01214850
2.34632963 9.46242195 1.48309433
-0.00093855 0.00110530 -0.00019716
-0.02914109 0.02388311 0.02741920
14.31977336 -23.93560547 -25.49781693
0.00022782 0.00047548 -0.00040430
-0.00093309 -0.00243164 -0.00312977
14.99903625 -23.76909796 -28.22676977
-0.00000538 -0.00105431 0.00003239
-0.01776933 0.00301601 -0.04205399
4.64565591 3.42222881 -0.99717970
-0.00060215 0.00032936 0.00066152
-0.01562734 -0.01905170 -0.01586043
4.83179003 5.80685064 0.26070470
0.00046538 -0.00030190 0.00062105
0.01584341 0.00185641 0.01248452
16.97603460 -3.67976809 -0.45816010
0.00061124 -0.00023639 0.00046147
0.01015446 -0.00747917 -0.00344174
16.67619690 -6.68781501 -0.82246944
-0.00057609 0.00042530 0.00040924
-0.00218306 0.02725696 0.01310124
-6.11398915 2.94725085 -1.65454464
-0.00211487 -0.00042572 0.00041706
0.01936612 0.00387836 -0.01176205
-5.21603416 0.89498286 -3.52068812
-0.00028381 0.00011986 -0.00102516
0.01691216 0.02413353 0.00910997
2.60940715 2.94350566 -11.29583063
-0.00024667 -0.00010572 -0.00022070
-0.02941973 -0.01296285 -0.00085851
-0.23749844 1.65342031 -10.54858377
-0.00036059 -0.00034974 0.00100817
0.04066348 0.00886428 -0.01909475
16.85622754 7.65606399 -7.98160748
0.00136983 0.00041621 0.00079095
0.00157467 0.02320252 0.00078961
16.22313757 10.61727211 -7.19420934
-0.00025020 -0.00018588 0.00038352
0.01421221 0.01239987 0.00151274
-6.51846699 0.39978462 11.03328243
-0.00039232 -0.00001183 0.00077063
-0.00781268 -0.00041258 -0.02065652
-7.91393447 1.91278857 13.28002932
0.00000145 -0.00011724 0.00107993
0.02794055 -0.03045105 -0.00637264
-2.12856591 -16.72889319 13.96076479
-0.00021148 -0.00089212 -0.00007085
-0.02059896 0.02599536 -0.01318949
-4.49271600 -17.84530817 12.60138356
-0.00048226 0.00036003 -0.00012517
0.02508787 0.04560226 -0.00347642
7.04186291 -6.34226217 -4.27620598
-0.00080740 0.00029234 0.00005018
-0.00552326 -0.00460971 -0.00579305
5.54141272 -8.13442937 -6.24439953
-0.00025270 0.00065137 -0.00005523
0.01074445 0.00918186 0.01251381
-2.82465426 -11.57212355 2.32175124
0.00042835 0.00039859 -0.00041638
-0.00467760 -0.00087137 0.00279620
-0.20646208 -10.31955842 2.67614526
-0.00021729 0.00011201 -0.00088044
-0.00567495 0.00135228 -0.00629168
-14.82730626 -0.97461260 5.67636730
0.00038212 -0.00009083 -0.00015931
0.02700863 0.01995697 0.02463175
-16.02173494 -1.79548797 3.38204985
0.00053545 -0.00035722 0.00001146
-0.00007706 -0.00230158 -0.02528545
-9.57078298 4.85752258 -23.14137522
0.00009580 -0.00019614 -0.00043256
-0.00344046 0.00532826 -0.01393945
-8.99854687 4.60422717 -20.41990147
0.00006467 -0.00025337 -0.00002110
0.00265177 0.02038180 0.03870000
1.79681274 1.30530658 -3.00699427
-0.00060746 -0.00065646 -0.00034543
0.00271300 0.00344377 -0.05110498
0.64392204 0.46993346 -0.67347971
0.00063293 -0.00002272 -0.00091773
0.01716729 0.01095783 0.00723954
13.81627874 9.65793115 3.73616087
0.00031129 -0.00076866 -0.00073488
0.03066873 0.01567235 0.00587028
11.38557292 9.39698689 2.50032595
0.00029761 -0.00108018 0.00039456
0.00087026 -0.01554043 0.01128146
5.45307640 -9.11527086 -10.61048555
-0.00007338 -0.00024935 0.00012461
-0.00039708 0.00373025 -0.00468687
-13.02940404 10.42569039 21.19049216
0.00001704 -0.00003404 0.00013147
0.01026503 0.00092710 -0.00402156
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06818293
0.30795947
410.34055855
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.060 s
total exchange = -52.3967132727 (a.u.)
total exchange computation time: 3.2775797844 s
-154.2713225016
-931.37600174
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.060 s
total exchange = -52.3961736525 (a.u.)
total exchange computation time: 3.2786111832 s
-154.2768501692
Anderson extrapolation: theta=1.3438829135 (1.3438829135)
-931.37624558
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3953453767 (a.u.)
total exchange computation time: 3.2809329033 s
-154.2850723416
Anderson extrapolation: theta=0.0502841139 (0.0502841139)
-931.37639000
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3952224805 (a.u.)
total exchange computation time: 3.2798449993 s
-154.2861571145
Anderson extrapolation: theta=1.8877014994 (1.8877014994)
-931.37639505
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.060 s
total exchange = -52.3949663419 (a.u.)
total exchange computation time: 3.2773978710 s
-154.2883536257
Anderson extrapolation: theta=0.2133987855 (0.2133987855)
-931.37639989
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.053 s
total exchange = -52.3949049498 (a.u.)
total exchange computation time: 3.2781069279 s
-154.2888281418
Anderson extrapolation: theta=1.8946786836 (1.8946786836)
-931.37640072
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3948087159 (a.u.)
total exchange computation time: 3.2766520977 s
-154.2895183216
Anderson extrapolation: theta=0.2819720726 (0.2819720726)
-931.37640167
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.060 s
total exchange = -52.3948023091 (a.u.)
total exchange computation time: 3.2790098190 s
-154.2895094252
Anderson extrapolation: theta=1.3200357075 (1.3200357075)
-931.37640189
238.032751 31.422633 290.356777
-142.128135 489.714239 -804.838399
95.904617 521.136872 -514.481622
738.561219
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.3948096377 (a.u.)
total exchange computation time: 3.2790629864 s
679.24893121
-1084.33211925
89.69540931
-388.71599902
-174.87781462
78.65506727
551.60419304
0.00000000
-931.37640202
-8.79071626 -3.87319853 3.46795825
-0.00013016 -0.00019220 0.00055370
0.02705771 0.00761101 -0.02803227
-17.86592690 4.57400470 6.57300966
0.00013481 -0.00034432 -0.00023314
-0.01889923 -0.03654953 -0.02021423
-15.61984584 -0.90979137 0.55466989
0.00033253 0.00025457 -0.00007380
-0.02635264 -0.04210013 -0.02968837
3.42711948 -20.69946032 15.66042445
-0.00029124 -0.00006952 -0.00021106
0.00922017 0.02609854 0.00408036
7.47615332 15.91766116 -1.34294713
0.00029351 0.00018641 -0.00003183
-0.00055020 0.02113997 0.03327738
-9.78986466 9.63938312 11.13233534
-0.00014745 -0.00026689 0.00000010
0.02142659 -0.04652147 -0.02296340
-8.15957804 -0.56708312 -14.17194451
-0.00040687 0.00019013 -0.00029259
0.01139741 -0.02442226 -0.00725209
-10.82918992 2.24381629 -7.16541457
-0.00007643 0.00015686 0.00037049
0.01095925 -0.01585665 -0.03103427
-0.22589011 -5.74864062 15.14430992
-0.00018694 -0.00001028 0.00023357
0.00974394 0.00696287 0.04059030
-25.45153465 -0.60629633 -20.78442521
-0.00041061 -0.00021661 0.00016110
0.00984012 0.01533007 0.02326464
8.87002408 7.50931239 7.85059981
-0.00003869 -0.00000555 0.00000041
-0.00494008 -0.01613413 0.01405147
20.76020537 28.77783565 -4.91130099
0.00006961 -0.00016079 -0.00028963
0.01292268 0.00149002 -0.00600319
7.75256757 -1.57121322 -7.20197863
0.00007464 0.00011211 -0.00008012
0.03043877 -0.04668118 -0.00922507
-9.39503883 -3.52758624 13.31228016
0.00040232 0.00000733 0.00050071
-0.04029557 -0.02646636 0.02458340
-1.32365888 -22.75553754 13.88429570
0.00015977 -0.00008571 0.00012919
-0.02109199 -0.00118715 0.00898635
-11.07928596 -8.69079421 -8.28652526
-0.00006497 -0.00010280 0.00038907
-0.01173045 0.02981795 0.01595560
-15.93070074 -8.53423529 -15.53675171
0.00013572 -0.00007215 0.00008721
-0.01591242 -0.03823691 -0.00484417
16.56110478 12.64211231 3.53516450
0.00040607 0.00022677 0.00011418
-0.00863936 -0.02248800 0.01590877
20.27585552 -4.57565100 -14.73436641
-0.00015048 0.00008339 -0.00004935
0.00115881 -0.03767363 0.01324622
-0.58355308 8.15061352 -14.85237808
0.00035051 -0.00011595 -0.00013140
0.00481843 0.00387693 -0.00464725
0.76601706 -0.82028480 -16.78183680
-0.00019239 0.00028065 -0.00030684
0.03265157 0.00279198 -0.01201884
11.68716484 21.05301989 -23.13336941
0.00035083 -0.00036947 -0.00022254
-0.03622640 -0.00584648 0.00102992
-11.27221969 15.20956307 -16.10187715
-0.00011819 0.00010261 -0.00045606
0.00219598 -0.00154796 -0.00131014
4.38543569 17.54331880 10.90664990
0.00023787 0.00025933 -0.00039248
-0.03159004 0.01648109 0.01427333
-2.08535298 -11.11505796 -3.57496233
-0.00033224 0.00008876 -0.00002232
-0.03567946 0.02792780 0.03793924
1.20948837 -8.05769304 3.72087449
0.00017588 -0.00031016 0.00009537
-0.02520605 0.01599886 -0.00989048
9.60977553 1.84960652 8.14745190
0.00003561 0.00034117 0.00024039
-0.00804804 0.02057552 -0.01376778
-6.91097558 -9.40541087 -3.00678708
0.00004035 0.00026720 -0.00010359
-0.03994658 -0.01234263 0.02964312
3.92828679 -12.50828819 -12.95173697
-0.00005767 0.00031862 -0.00017100
-0.02050832 0.02839243 -0.02438749
1.15100537 -4.61219974 -0.99504684
0.00013995 -0.00001454 0.00028425
0.00121827 0.00264233 -0.00387595
16.90425307 4.43938381 27.24313587
0.00030983 0.00008221 -0.00019394
0.00629758 0.03235788 -0.01094906
-9.59122290 6.11555101 -4.48153528
-0.00005854 -0.00020507 0.00006178
-0.02462449 0.04540742 0.00107396
-5.03609628 14.92467106 -9.16342712
0.00033838 0.00003455 -0.00027218
0.01078674 -0.00359308 0.01302475
3.04491738 12.17287611 -6.83073738
-0.00005817 0.00003220 -0.00008812
0.02688246 0.01423794 -0.01991533
-4.25862733 11.84840060 -13.76709798
0.00013664 0.00033803 0.00003017
0.02351124 -0.02730939 -0.00517927
3.83242722 7.20623865 17.41502563
0.00012856 0.00010590 -0.00009175
0.00517598 0.00213160 -0.01786268
-15.21203221 8.78886832 -9.08064184
-0.00021426 -0.00021046 0.00000673
-0.03342440 -0.00639341 0.01769692
3.74213989 9.25909419 0.46289229
0.00008920 0.00010024 0.00022108
-0.01833549 -0.07285590 -0.03931365
15.76602666 -24.01217210 -26.66784100
0.00024328 -0.00005917 -0.00002604
0.01212743 -0.00356786 0.04842970
5.79732971 4.22310812 0.09888407
-0.00018028 -0.00016547 0.00020433
0.01032857 0.02375546 0.01317128
17.07725131 -5.29239187 0.40812452
0.00029700 0.00010152 -0.00033851
-0.00197243 -0.02085179 -0.01542735
-4.57416922 2.52686590 -2.66600613
-0.00012313 -0.00019875 0.00031612
-0.03744452 -0.01868281 0.00874052
0.92682453 2.37457222 -11.87799694
-0.00006226 0.00024713 -0.00003025
-0.01325541 -0.00211104 0.00981094
15.53766596 8.98248859 -7.46697949
-0.00045986 -0.00026032 0.00019627
-0.00342364 -0.03125801 -0.00019689
-6.27830809 0.93751526 12.73990517
-0.00040379 0.00003625 0.00006804
-0.02208969 0.03770105 0.02978176
-3.47524068 -16.13774594 12.73621539
-0.00015432 0.00002426 0.00040531
-0.00779697 -0.07732075 0.00688411
7.03184698 -6.98827891 -6.03706382
0.00013977 0.00021809 -0.00050093
-0.00711915 0.00701237 -0.00401937
-1.14470473 -11.53690320 1.59987049
0.00009173 -0.00008270 -0.00032645
0.00349642 -0.01156243 -0.00844566
-16.30930318 -1.77486281 5.17598164
0.00031173 0.00002521 0.00045375
-0.02713224 -0.01941227 0.01152953
-9.06250387 3.63785227 -21.90364423
-0.00028824 -0.00041835 -0.00047416
0.00343349 -0.01689092 -0.01973254
2.20690691 1.26152306 -1.30353526
-0.00014392 -0.00016014 0.00015414
-0.02876700 -0.01824884 0.02902453
12.42244217 8.56674249 3.84189127
0.00013568 -0.00009855 -0.00010628
-0.03105284 -0.00341283 -0.01906267
-7.26161223 -4.09703406 2.25161534
-0.00003952 0.00003062 -0.00048220
-0.03007049 -0.00842363 0.02899483
-10.04185208 -3.17102892 2.30116740
0.00072691 -0.00197728 -0.00036904
0.00480135 0.00168070 0.00352241
-16.74953282 5.89068133 6.94383758
0.00013206 -0.00009389 0.00029757
0.02733741 0.02762756 0.00590837
-17.07352957 3.62157327 5.19009910
-0.00065135 -0.00027245 -0.00011844
-0.00817790 0.01156374 0.01193728
-16.04258222 0.85141992 0.62001361
-0.00118600 -0.00109683 -0.00064664
-0.00341552 0.01750312 0.00088041
-17.14650345 -1.75507165 -0.28578190
-0.00069433 -0.00024529 -0.00027873
0.03366991 0.02362527 0.01350276
1.78216432 -20.91590992 14.96534989
-0.00013311 0.00099612 0.00011064
-0.01847391 -0.01590769 -0.00903994
3.55224675 -18.85424830 15.68967858
-0.00147929 0.00039309 -0.00001299
0.00862794 -0.00846727 0.00679319
8.34808945 14.30761922 -1.29700351
-0.00040208 0.00001629 0.00018675
0.00289689 -0.01337015 0.00605489
7.55348482 16.59745378 0.40223624
-0.00051745 -0.00076619 0.00005665
-0.00047921 -0.00965446 -0.02767362
-8.43435661 9.21539505 12.39595080
0.00043742 0.00079880 0.00018506
-0.01566045 0.00976238 -0.00567775
-10.53167135 11.15012301 11.65682822
-0.00049683 0.00011658 -0.00069636
-0.01260773 0.02838818 0.01887623
-9.83219144 0.10726256 -14.41087677
0.00059673 -0.00039482 -0.00078384
-0.01218475 0.01454675 0.00751052
-8.29413158 -2.12447657 -15.17302039
0.00015130 0.00104743 0.00044638
0.00784268 0.01146292 0.00064742
-12.25812634 1.11129910 -7.02850045
0.00070885 0.00047618 -0.00036481
0.00371945 0.00155043 0.00747806
-10.68985943 3.56403386 -5.93354111
-0.00097144 0.00077500 0.00095574
-0.00508246 0.01208165 0.01382032
-1.90840982 -6.07448054 14.54219402
0.00029690 -0.00024896 0.00047711
-0.01502252 -0.00926117 -0.00432591
-0.31485677 -5.71475022 17.04617300
-0.00029781 0.00027702 0.00027599
0.00144567 -0.00102537 -0.03118587
-24.88114029 -0.53764171 -18.96810007
-0.00030839 -0.00013519 0.00009005
-0.00318311 0.00384221 -0.03616507
-25.61406547 1.11947609 -21.50540600
0.00001208 0.00011400 -0.00045123
0.00224762 -0.01994194 0.00417194
9.48525981 8.74599307 6.72009257
-0.00004556 -0.00016437 0.00023159
0.01005923 0.00891404 -0.02415810
10.10340737 7.73172992 9.19829222
-0.00004731 0.00057880 -0.00029760
0.00050754 0.00017792 0.00662040
19.78946846 27.47301869 -4.12139568
-0.00002269 0.00017453 0.00020209
-0.00882167 -0.01099085 0.01098208
20.11315743 30.46200409 -4.30775020
-0.00006554 0.00048948 0.00015045
0.00354413 -0.00477822 -0.00435727
6.36340266 -0.54178725 -6.88719016
-0.00114798 -0.00063334 -0.00017672
-0.03866855 0.02237866 0.00512289
7.11257701 -3.34424690 -7.22848265
0.00046077 -0.00041914 0.00009969
0.00494522 0.01897122 0.00220193
-8.66328351 -2.35401321 12.23156200
-0.00048390 0.00064652 -0.00003175
0.01128714 0.02857510 -0.02590487
-11.17184098 -2.95049563 13.60081954
-0.00056635 -0.00022987 -0.00104707
0.02534384 -0.00308986 -0.00296875
-1.45976339 -24.33855409 14.86870226
0.00037787 0.00064136 0.00062015
0.00697126 0.01138063 -0.01358931
-3.08291197 -22.19511714 13.55104969
0.00017268 0.00049450 0.00079105
0.01047081 -0.00795256 0.00896827
-12.23948604 -7.71579631 -7.08003276
-0.00050395 -0.00059790 0.00063600
0.00399785 -0.02559306 -0.01934138
-10.40859388 -7.31568383 -9.29351568
0.00100092 0.00114237 -0.00109588
0.00379972 -0.00016745 0.00513980
-16.22038034 -10.42896223 -15.69839911
-0.00014914 0.00036615 -0.00090974
0.01062200 0.04118812 0.00796667
-14.24098247 -8.07821575 -16.16690753
-0.00007513 -0.00024393 -0.00004806
-0.00073928 -0.00332536 -0.00017293
16.91368983 12.66779885 5.37269871
0.00073957 0.00039200 0.00016320
0.00095700 0.00243863 -0.01154199
17.38500390 14.03181833 2.76974721
-0.00027441 0.00006538 -0.00016976
0.00557936 0.01897045 -0.00252796
18.55833426 -4.17660360 -15.05534253
-0.00055879 -0.00049884 0.00015684
-0.00630788 0.00903728 -0.00582816
21.40184846 -3.31668026 -15.36287910
-0.00147612 -0.00003706 0.00028861
0.00591632 0.02576827 -0.01054393
-1.64730807 7.31583587 -13.64621963
0.00117684 0.00016312 0.00011681
-0.00018976 -0.01299958 0.00554083
0.15214169 6.84288006 -15.91149275
-0.00019062 0.00114879 -0.00079629
-0.00536470 0.00088071 0.00288966
0.91094341 0.49438196 -15.49759002
-0.00041511 0.00030409 -0.00014126
0.00110090 -0.00193192 0.00169685
2.60094942 -1.05347274 -17.38216438
-0.00003612 0.00006700 -0.00027967
-0.03480093 0.00459591 0.02103092
12.04571769 22.73001483 -22.52588495
0.00033851 0.00085450 0.00125420
0.01237462 0.01446339 0.00504470
9.78113504 21.17772941 -23.12007884
0.00048934 0.00050541 0.00012154
0.02536922 -0.01312571 -0.00449576
-9.94432493 16.17936226 -17.05779735
0.00101290 0.00010030 -0.00045934
-0.01093891 -0.00481045 0.00420030
-10.82078441 15.04033757 -14.35839076
0.00014727 0.00092540 0.00032546
0.00523691 0.00096942 -0.00008118
2.80910211 18.56185671 11.38593175
0.00102647 0.00013746 0.00030881
0.04187559 -0.02577486 -0.02066023
4.92491947 17.90498176 9.19062257
0.00006639 0.00032116 0.00007864
-0.01078410 0.00611271 0.00350305
-3.77833480 -10.33160135 -3.02898463
0.00062436 -0.00054875 -0.00055398
0.02505412 -0.01777012 -0.02996627
-1.47236931 -11.22895344 -1.80991601
0.00071518 -0.00083611 0.00046459
0.01228524 -0.00425392 -0.00438977
0.20243862 -6.93548777 4.77710876
-0.00071636 -0.00051470 0.00042861
0.00495221 -0.00241665 0.00401110
2.83951868 -8.21983226 4.40500492
-0.00080282 -0.00078393 0.00038046
0.03094999 0.00247962 0.01981722
8.39780172 2.03409243 9.50219648
-0.00111554 -0.00025269 -0.00110036
0.00386283 -0.00195072 -0.00184097
9.58397578 3.53409215 7.30967090
0.00039538 -0.00012999 0.00051416
0.00058403 -0.01455297 0.01245842
-7.96463728 -8.93531065 -4.40415014
-0.00040044 0.00075725 -0.00037211
0.00373923 0.00968880 -0.01612376
-8.32112795 -10.18537136 -1.96933837
0.00083123 -0.00002712 0.00021839
0.02814766 0.00815380 -0.00769610
4.91424672 -13.61169192 -11.97455879
-0.00019954 0.00018326 0.00012271
0.01248874 -0.02372415 0.01309282
2.34937802 -13.20950376 -13.59895184
0.00003642 0.00017616 -0.00096917
0.00292767 -0.00400338 0.00861117
1.35162428 -6.10585183 0.05017787
-0.00000556 0.00087870 -0.00040277
-0.00338860 0.00499358 0.00196339
-0.14199899 -3.58433842 -0.20128222
-0.00009594 0.00025698 -0.00036625
-0.00000711 -0.00794123 0.00161331
17.50871005 3.52828311 25.82484966
-0.00005553 -0.00045057 -0.00011746
0.00389179 -0.00674654 -0.01064619
16.45596012 3.20861573 28.41835680
0.00085896 0.00099884 -0.00046189
-0.01204302 -0.02727315 0.02343595
-10.92010079 7.42021939 -4.12196828
0.00062129 -0.00040800 0.00035510
0.00757443 -0.02413087 0.00922173
-8.61208240 7.27443493 -5.58943563
-0.00002411 -0.00060344 0.00076505
0.01325552 -0.01227166 0.00299119
-6.39345639 16.12564566 -9.17469926
0.00004161 -0.00044926 0.00015686
-0.00519576 0.00206715 -0.00388650
-4.76479269 14.21520203 -10.82204732
-0.00021266 0.00036722 -0.00034914
-0.00149165 0.00069710 -0.00603123
2.90492696 10.62378019 -5.96511289
-0.00044789 0.00014931 0.00105101
-0.00374555 -0.02039195 0.01241661
1.52428555 13.10686905 -6.79362419
-0.00048717 0.00002934 -0.00064151
-0.02477350 0.01314535 0.00394211
-2.67863824 10.87415194 -14.25494325
0.00083450 -0.00035504 -0.00007622
-0.02246571 0.02228801 0.00558831
-5.40162151 10.44537464 -13.45682188
0.00044844 -0.00034101 0.00050451
-0.00581175 0.00656851 0.00276758
4.08405818 7.93469192 19.05272894
0.00085094 -0.00038110 -0.00029475
0.00546676 0.00258115 0.01636132
2.01349896 7.14630182 17.27515500
0.00000817 -0.00015923 0.00018008
-0.01755480 -0.00890097 0.00146327
-13.51147951 8.69026104 -8.58785935
-0.00090199 0.00031906 -0.00142515
0.03061737 -0.00142158 0.00100353
-16.14227908 8.23251455 -7.55192749
-0.00109265 0.00044629 0.00006547
0.00479042 0.00535340 -0.01244999
5.20474171 10.15821027 0.21765296
-0.00014851 0.00015641 -0.00008760
0.04344124 0.04285285 0.01139704
2.33135836 9.47973331 1.48097716
-0.00104493 0.00120112 -0.00009583
-0.02292948 0.02302209 0.02217980
14.32316207 -23.92854781 -25.50397739
0.00022206 0.00046543 -0.00041411
-0.00188843 -0.00248529 -0.00167289
14.99841106 -23.78482021 -28.22757263
-0.00007771 -0.00104293 -0.00014002
-0.01763960 0.00255450 -0.04233997
4.63614479 3.42658537 -0.98774291
-0.00066786 0.00025006 0.00059478
-0.01653712 -0.01976557 -0.01680834
4.83925617 5.80237896 0.27040297
0.00052747 -0.00028956 0.00067240
0.01455295 0.00418860 0.01265270
16.98551439 -3.68354309 -0.45134354
0.00065204 -0.00025748 0.00044170
0.00981627 -0.00284352 -0.00623726
16.66748869 -6.68060020 -0.81592938
-0.00058573 0.00053197 0.00045744
-0.00253817 0.02495775 0.01049065
-6.14511869 2.94098388 -1.64864910
-0.00202047 -0.00041384 0.00036038
0.02684154 0.00193870 -0.01598579
-5.21977311 0.89752024 -3.53578636
-0.00021376 0.00022005 -0.00098530
0.01737773 0.02491130 0.01040405
2.60480566 2.94152271 -11.29916747
-0.00036140 -0.00015680 -0.00022262
-0.02674395 -0.01204487 -0.00008160
-0.24166119 1.64844590 -10.53404631
-0.00018773 -0.00030960 0.00092125
0.04394926 0.01078162 -0.02345168
16.87682322 7.66301816 -7.96971910
0.00136965 0.00051182 0.00079436
-0.00166380 0.02360079 0.00088113
16.21982015 10.61486393 -7.18841017
-0.00019501 -0.00013742 0.00038989
0.01279939 0.01132101 0.00160566
-6.52459121 0.39959446 11.04420887
-0.00042613 -0.00001570 0.00067703
-0.00873707 -0.00147914 -0.02516164
-7.91305654 1.91009692 13.29603304
0.00011327 -0.00024063 0.00105266
0.02679591 -0.02995294 -0.00697786
-2.13236929 -16.74147837 13.95929780
-0.00029439 -0.00078545 -0.00012385
-0.01998794 0.02621955 -0.01275273
-4.49918120 -17.83851036 12.59939941
-0.00038078 0.00054535 -0.00013911
0.02459150 0.04511231 -0.00334699
7.02958261 -6.33801830 -4.27563074
-0.00082802 0.00027198 0.00002073
-0.00457090 -0.00535976 -0.00862477
5.53795151 -8.12437748 -6.24484450
-0.00020873 0.00068782 -0.00000596
0.01077709 0.00866248 0.01160506
-2.81837242 -11.56617145 2.31559121
0.00040352 0.00039442 -0.00040305
-0.00747512 -0.00116733 0.00372851
-0.20989534 -10.31783685 2.66274585
-0.00023724 0.00012085 -0.00090341
-0.00409029 0.00297706 -0.00495143
-14.82074680 -0.97536344 5.67473241
0.00049431 -0.00000817 -0.00005801
0.02790812 0.02050337 0.02495827
-16.01370555 -1.80091677 3.38144696
0.00053340 -0.00036637 -0.00008397
-0.00092580 -0.00217727 -0.02142732
-9.56945134 4.85474381 -23.14829078
0.00008147 -0.00017450 -0.00048918
-0.00357497 0.00526461 -0.01377506
-8.99749554 4.60105121 -20.41903202
0.00007520 -0.00017577 0.00012796
0.00250430 0.01760445 0.03426343
1.78778399 1.29556518 -3.01374174
-0.00059134 -0.00064188 -0.00054204
0.00517837 0.00369373 -0.04513689
0.65394208 0.46992842 -0.68702384
0.00069012 0.00001545 -0.00088016
0.01082565 0.00772665 0.01115162
13.82188792 9.64688146 3.72531762
0.00043886 -0.00070272 -0.00071125
0.03177512 0.01660810 0.00569673
11.39006374 9.38030797 2.50658999
0.00029527 -0.00113821 0.00043318
-0.00201376 -0.01286562 0.00762561
5.45197466 -9.11900107 -10.60862895
-0.00007349 -0.00024800 0.00012291
-0.00025292 0.00382581 -0.00485038
-13.02913053 10.42518140 21.19245725
0.00001941 -0.00003383 0.00013053
0.01017235 0.00087831 -0.00407247
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06819598
0.30820604
410.66909135
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.053 s
total exchange = -52.3980294133 (a.u.)
total exchange computation time: 3.3843228817 s
-154.2825199150
-931.37616044
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.055 s
total exchange = -52.3974683206 (a.u.)
total exchange computation time: 3.3851039410 s
-154.2882948065
Anderson extrapolation: theta=1.3573645526 (1.3573645526)
-931.37640800
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3966160166 (a.u.)
total exchange computation time: 3.3843529224 s
-154.2968926018
Anderson extrapolation: theta=0.0557259883 (0.0557259883)
-931.37655767
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3964984588 (a.u.)
total exchange computation time: 3.3841381073 s
-154.2980106804
Anderson extrapolation: theta=2.0569153120 (2.0000000000)
-931.37656384
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3962482732 (a.u.)
total exchange computation time: 3.3848819733 s
-154.3003518123
Anderson extrapolation: theta=0.2644803739 (0.2644803739)
-931.37657055
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3961851397 (a.u.)
total exchange computation time: 3.3888847828 s
-154.3009168863
Anderson extrapolation: theta=1.6567565020 (1.6567565020)
-931.37657187
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3961063806 (a.u.)
total exchange computation time: 3.3840742111 s
-154.3016002752
Anderson extrapolation: theta=0.3192294289 (0.3192294289)
-931.37657317
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3961064185 (a.u.)
total exchange computation time: 3.3842530251 s
-154.3015784423
Anderson extrapolation: theta=1.1468081989 (1.1468081989)
-931.37657347
238.042039 31.434820 290.402263
-142.149163 489.739373 -804.868284
95.892877 521.174193 -514.466021
738.575162
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3961242820 (a.u.)
total exchange computation time: 3.3860919476 s
679.26601061
-1084.38338965
89.70094578
-388.68132192
-174.88269415
78.68673927
551.60419304
0.00000000
-931.37657362
-8.79256423 -3.87605219 3.47615556
-0.00011471 -0.00018874 0.00053908
0.03302068 0.00583716 -0.02880932
-17.86397770 4.56869896 6.56943460
0.00012510 -0.00036197 -0.00024259
-0.01883737 -0.03211303 -0.01653858
-15.61495957 -0.90613526 0.55344839
0.00031807 0.00023060 -0.00008969
-0.02988059 -0.05108265 -0.03210883
3.42278650 -20.70040250 15.65727425
-0.00028613 -0.00005512 -0.00020872
0.01061867 0.02991975 0.00504068
7.48055378 15.92053881 -1.34329619
0.00029307 0.00019717 -0.00001525
-0.00114349 0.02071607 0.03120019
-9.79199374 9.63520029 11.13224828
-0.00013655 -0.00029004 -0.00001120
0.02096931 -0.04348742 -0.02099975
-8.16563720 -0.56432534 -14.17636133
-0.00039907 0.00017849 -0.00029497
0.01893725 -0.02084274 -0.00198890
-10.83029414 2.24610801 -7.15997688
-0.00006934 0.00015091 0.00035559
0.01664103 -0.00726680 -0.02691566
-0.22865664 -5.74876802 15.14797009
-0.00018111 -0.00000655 0.00025479
0.01293806 0.00757284 0.04191310
-25.45765583 -0.60948634 -20.78191890
-0.00040564 -0.00020812 0.00017262
0.00946916 0.01769951 0.02153128
8.86942465 7.50916685 7.85066018
-0.00004145 -0.00001406 0.00000772
-0.00577366 -0.01692969 0.01435306
20.76129935 28.77542956 -4.91566858
0.00007585 -0.00015920 -0.00029225
0.01134966 0.00470226 -0.00419703
7.75380466 -1.56971170 -7.20321608
0.00008887 0.00008849 -0.00008457
0.02487199 -0.04517073 -0.00807388
-9.38915954 -3.52757845 13.31988558
0.00038121 -0.00000507 0.00051253
-0.04177626 -0.02171673 0.02138823
-1.32134365 -22.75682776 13.88626818
0.00014891 -0.00008558 0.00013348
-0.02113303 0.00167341 0.00770693
-11.08030576 -8.69222125 -8.28062770
-0.00006950 -0.00008499 0.00039511
-0.00586940 0.03945056 0.00754529
-15.92872627 -8.53546498 -15.53546228
0.00012735 -0.00009140 0.00008476
-0.01664854 -0.03664846 -0.00469095
16.56716250 12.64542718 3.53693858
0.00040143 0.00021472 0.00012270
-0.00939604 -0.02440074 0.01722373
20.27360275 -4.57454547 -14.73505551
-0.00015169 0.00006277 -0.00004200
-0.00584561 -0.04251963 0.01531426
-0.57827691 8.14888929 -14.85436695
0.00035287 -0.00011235 -0.00013357
0.00438196 0.01010759 -0.00379683
0.76325711 -0.81606435 -16.78648577
-0.00017554 0.00028221 -0.00031294
0.03287500 0.00327932 -0.01169973
11.69228761 21.04745530 -23.13670356
0.00033299 -0.00036956 -0.00022087
-0.03317867 0.00548375 0.00545592
-11.27398404 15.21109621 -16.10872305
-0.00011586 0.00010213 -0.00045559
0.00683941 -0.00029979 0.00312985
4.38888184 17.54727232 10.90081772
0.00022207 0.00026711 -0.00038436
-0.02984277 0.01378210 0.01732541
-2.09047427 -11.11361889 -3.57515077
-0.00034850 0.00010206 -0.00000220
-0.02754540 0.02381008 0.04030979
1.21202938 -8.06228378 3.72226692
0.00016080 -0.00030121 0.00009015
-0.03345118 0.01880075 -0.01039915
9.61027865 1.85480350 8.15100472
0.00003186 0.00035087 0.00023333
-0.00652381 0.01711770 -0.01370201
-6.91052442 -9.40145050 -3.00822659
0.00001964 0.00026135 -0.00008952
-0.04058029 -0.01040330 0.02505516
3.92734269 -12.50339932 -12.95439600
-0.00006831 0.00033273 -0.00018343
-0.02088704 0.02644985 -0.02394299
1.15310939 -4.61240757 -0.99079810
0.00014030 -0.00001125 0.00028093
0.00010905 0.01012538 -0.00900600
16.90892481 4.44074183 27.24018449
0.00031371 0.00010017 -0.00020140
0.00878018 0.03745183 -0.01803585
-9.59219601 6.11265005 -4.48060442
-0.00007109 -0.00018290 0.00006294
-0.02416977 0.04084077 0.00342656
-5.03097902 14.92517549 -9.16745955
0.00034396 0.00003272 -0.00026534
0.01091493 -0.00355113 0.01358138
3.04414847 12.17341407 -6.83213594
-0.00004542 0.00003884 -0.00009772
0.02271045 0.01158626 -0.01744271
-4.25648706 11.85336574 -13.76666544
0.00014930 0.00032274 0.00002734
0.02571756 -0.03216356 -0.00580044
3.83437552 7.20783544 17.41358043
0.00013089 0.00010677 -0.00010148
0.00391738 0.00124887 -0.01995440
-15.21537500 8.78568670 -9.08047258
-0.00023430 -0.00021358 0.00001521
-0.04449843 -0.00570825 0.01527617
3.74340713 9.26031682 0.46605684
0.00007794 0.00006294 0.00020247
-0.02542780 -0.07221324 -0.03306280
15.76972267 -24.01307339 -26.66804479
0.00024950 -0.00006082 -0.00000196
0.01205512 -0.00286504 0.04522594
5.79466540 4.22071768 0.10199989
-0.00017458 -0.00015377 0.00021108
0.01181664 0.02173385 0.01305285
17.08169874 -5.29094944 0.40298740
0.00029610 0.00009033 -0.00034492
-0.00152185 -0.02268262 -0.00952041
-4.57616054 2.52381257 -2.66123067
-0.00014403 -0.00020805 0.00032132
-0.04383717 -0.01748118 0.01151160
0.92583952 2.37827099 -11.87841284
-0.00007057 0.00024535 -0.00002453
-0.01906602 -0.00480724 0.01242742
15.53075481 8.97846325 -7.46403627
-0.00046045 -0.00027598 0.00019612
0.00113998 -0.02965227 -0.00036451
-6.28445014 0.93820444 12.74104068
-0.00041446 0.00005569 0.00008443
-0.01940204 0.03790353 0.03392840
-3.47758555 -16.13768022 12.74232161
-0.00015831 -0.00001509 0.00040857
-0.00770627 -0.07570523 0.00578400
7.03391614 -6.98498046 -6.04459322
0.00013577 0.00022194 -0.00050200
-0.00846488 0.00794310 -0.00016655
-1.14331528 -11.53818824 1.59494118
0.00009380 -0.00008896 -0.00033136
0.00453894 -0.01278883 -0.01065251
-16.30473189 -1.77455957 5.18283230
0.00029812 0.00001528 0.00045851
-0.02579968 -0.01920099 0.00697989
-9.06681424 3.63151194 -21.91083273
-0.00028642 -0.00042604 -0.00048298
0.00363623 -0.01304924 -0.01457784
2.20463719 1.25905056 -1.30111123
-0.00015757 -0.00016866 0.00016614
-0.02432883 -0.01488637 0.01764295
12.42435755 8.56525102 3.84022355
0.00012058 -0.00010109 -0.00011496
-0.02764794 -0.00645551 -0.01471288
-7.26312646 -4.09683282 2.24527079
-0.00016339 -0.00000426 -0.00035872
-0.03056460 -0.00865052 0.03145080
-10.03080126 -3.20063663 2.29573977
0.00073682 -0.00196584 -0.00035918
0.00004744 0.00392111 0.00130535
-16.74671419 5.89011957 6.94848225
0.00023960 0.00001264 0.00031925
0.02530138 0.02451903 0.00470350
-17.08355047 3.61784091 5.18868824
-0.00068054 -0.00022789 -0.00007464
-0.00610996 0.01024791 0.00950262
-16.06047693 0.83550377 0.61034097
-0.00120169 -0.00101022 -0.00064136
-0.00426330 0.02489379 0.00170339
-17.15588663 -1.75802708 -0.28954902
-0.00054797 -0.00014660 -0.00021935
0.03797380 0.02468493 0.01556342
1.77960152 -20.90145554 14.96673241
-0.00021437 0.00092751 0.00007103
-0.02130053 -0.01767858 -0.01034681
3.53032185 -18.84861135 15.68969195
-0.00144082 0.00035415 0.00001565
0.01020082 -0.01059544 0.00722239
8.34214696 14.30745392 -1.29401666
-0.00038915 -0.00004045 0.00021056
0.00343613 -0.01440652 0.00560032
7.54570842 16.58566513 0.40223791
-0.00051942 -0.00080283 -0.00005204
-0.00048568 -0.00828188 -0.02552933
-8.42827519 9.22767623 12.39855269
0.00037125 0.00083781 0.00016050
-0.01673029 0.00933166 -0.00634373
-10.53951009 11.15274160 11.64696119
-0.00054542 0.00022697 -0.00062148
-0.01117861 0.02565123 0.01777760
-9.82361394 0.10178595 -14.42240430
0.00053206 -0.00032861 -0.00075484
-0.01947177 0.01786356 0.00668937
-8.29162168 -2.10841380 -15.16630481
0.00018294 0.00107963 0.00044031
0.00764257 0.00429958 -0.00362077
-12.24737961 1.11848935 -7.03374342
0.00071279 0.00047414 -0.00033329
-0.00179146 -0.00255085 0.00795226
-10.70458672 3.57602913 -5.91878159
-0.00099227 0.00081497 0.00100259
-0.00511430 0.00748096 0.00911448
-1.90441662 -6.07849875 14.54921813
0.00022889 -0.00028766 0.00045665
-0.01826964 -0.00968346 -0.00569004
-0.31927964 -5.71062634 17.04935726
-0.00029144 0.00027243 0.00014881
0.00167105 -0.00122077 -0.03107325
-24.88586368 -0.53955177 -18.96785761
-0.00032075 -0.00011927 -0.00005657
-0.00286928 0.00395167 -0.03560465
-25.61381534 1.12057493 -21.51204656
0.00002142 0.00002740 -0.00043220
0.00232151 -0.02244581 0.00513979
9.48488470 8.74380067 6.72282614
-0.00000419 -0.00012531 0.00012971
0.01019002 0.01020446 -0.02571430
10.10271328 7.74041733 9.19403108
-0.00004382 0.00057853 -0.00026784
0.00120118 -0.00030900 0.00794733
19.78885778 27.47529983 -4.11802782
-0.00005812 0.00012991 0.00024648
-0.00852085 -0.01085116 0.01074660
20.11228288 30.46919980 -4.30562695
-0.00004825 0.00046398 0.00012973
0.00492133 -0.00770130 -0.00578747
6.34499811 -0.55060152 -6.88968400
-0.00129570 -0.00054832 -0.00015824
-0.03364354 0.01923699 0.00392612
7.11964012 -3.34995270 -7.22691976
0.00048264 -0.00033841 0.00010856
0.00575764 0.02054713 0.00213787
-8.67019619 -2.34343973 12.23029200
-0.00044032 0.00075633 -0.00013221
0.01004964 0.02517591 -0.02327280
-11.17955960 -2.95403830 13.58502247
-0.00045743 -0.00024540 -0.00105786
0.02797182 -0.00451476 -0.00230951
-1.45388166 -24.32858499 14.87758814
0.00040543 0.00068307 0.00056707
0.00651905 0.00903633 -0.01239636
-3.08000097 -22.18794330 13.56319019
0.00021520 0.00046111 0.00082736
0.01034410 -0.00839379 0.00880532
-12.24692273 -7.72554900 -7.07108551
-0.00048575 -0.00070034 0.00055464
0.00490928 -0.02455334 -0.02048124
-10.39346372 -7.29855345 -9.30979637
0.00100300 0.00111976 -0.00105566
-0.00277697 -0.01090143 0.01454932
-16.22229202 -10.42220788 -15.71180103
-0.00010613 0.00053010 -0.00087657
0.01043546 0.03906958 0.00826858
-14.24213202 -8.08197666 -16.16763380
-0.00007604 -0.00025644 -0.00004955
0.00029387 -0.00279618 -0.00055342
16.92481274 12.67375359 5.37479307
0.00074289 0.00040166 0.00011534
0.00066927 0.00228959 -0.01188569
17.38105867 14.03338027 2.76712339
-0.00024950 0.00014681 -0.00018211
0.00661577 0.02089353 -0.00351679
18.54975914 -4.18380922 -15.05316851
-0.00058049 -0.00046338 0.00013413
-0.00431521 0.00831883 -0.00529086
21.37988796 -3.31644661 -15.35887308
-0.00144147 0.00007914 0.00024004
0.01104489 0.03111483 -0.01323122
-1.62966125 7.31788426 -13.64429768
0.00117252 0.00010598 0.00014344
-0.00192853 -0.01496822 0.00749532
0.14911802 6.86013893 -15.92334853
-0.00020874 0.00114376 -0.00079041
-0.00350422 -0.00334555 -0.00001302
0.90475044 0.49888411 -15.49965692
-0.00041001 0.00029489 -0.00013586
0.00139610 -0.00257199 0.00094840
2.59934127 -1.05232693 -17.38571493
-0.00017928 0.00008642 -0.00019309
-0.03527824 0.00490876 0.02134912
12.05117458 22.74327554 -22.50691738
0.00038500 0.00089115 0.00126621
0.01038320 0.00347736 0.00083626
9.78925252 21.18490837 -23.11839351
0.00059114 0.00045058 0.00010235
0.02446126 -0.01371562 -0.00489649
-9.92946662 16.18071942 -17.06455882
0.00096186 0.00007726 -0.00043940
-0.01404520 -0.00647184 0.00556338
-10.81841494 15.05424835 -14.35351128
0.00016473 0.00092987 0.00031376
0.00331227 0.00121444 -0.00565036
2.82578240 18.56312874 11.38993079
0.00119185 0.00003581 0.00022501
0.03907741 -0.02398406 -0.02036183
4.92558481 17.90998640 9.19190955
0.00002433 0.00034782 0.00008608
-0.00980074 0.00694179 0.00013544
-3.76820161 -10.34037714 -3.03821264
0.00071605 -0.00061560 -0.00067111
0.01982498 -0.01495140 -0.02736709
-1.46126510 -11.24162538 -1.80308164
0.00075949 -0.00085117 0.00043705
0.00940232 -0.00311775 -0.00909038
0.19184502 -6.94328234 4.78366083
-0.00069102 -0.00052909 0.00044059
0.00744929 -0.00462532 0.00185393
2.82842480 -8.23151526 4.41131912
-0.00066526 -0.00077477 0.00046672
0.03638546 0.00200493 0.02240498
8.38118701 2.03024225 9.48563468
-0.00110269 -0.00026014 -0.00110465
0.00242471 -0.00169319 -0.00025882
9.58992444 3.53169637 7.31776507
0.00039737 -0.00018288 0.00056167
0.00038992 -0.01133819 0.01079976
-7.97052931 -8.92365503 -4.41022584
-0.00038054 0.00079344 -0.00042906
0.00600298 0.00802812 -0.01175555
-8.30779699 -10.18552833 -1.96629829
0.00094260 0.00000547 0.00018718
0.02636727 0.00779960 -0.00758248
4.91163628 -13.60966996 -11.97231696
-0.00015085 0.00008895 0.00017394
0.01134419 -0.02244396 0.01198341
2.35001398 -13.20698398 -13.61322544
0.00005151 0.00016101 -0.00093222
0.00445970 -0.00341300 0.00947468
1.35143708 -6.09251827 0.04419648
-0.00001766 0.00088474 -0.00038444
-0.00253614 -0.00203887 0.00700904
-0.14343834 -3.58072707 -0.20672657
-0.00009540 0.00022383 -0.00035944
0.00027324 -0.00828655 0.00172181
17.50799643 3.52131784 25.82276155
-0.00004017 -0.00047673 -0.00015961
0.00362431 -0.00605930 -0.00998767
16.46847541 3.22276260 28.41214661
0.00080518 0.00087567 -0.00035323
-0.01427793 -0.03302015 0.02975506
-10.91054928 7.41336000 -4.11635920
0.00064637 -0.00050147 0.00039391
0.00469881 -0.02162620 0.00977836
-8.61203790 7.26500726 -5.57786826
0.00003433 -0.00064910 0.00077162
0.01535433 -0.01007654 0.00022375
-6.39299146 16.11897017 -9.17246539
0.00001949 -0.00043962 0.00014144
-0.00563012 0.00264738 -0.00366558
-4.76802836 14.22073171 -10.82746920
-0.00021800 0.00036883 -0.00037529
-0.00111874 0.00009191 -0.00677166
2.89809386 10.62539497 -5.94896725
-0.00046217 0.00007456 0.00109691
-0.00324556 -0.01619651 0.01005233
1.51621880 13.10771189 -6.80312603
-0.00058227 0.00007940 -0.00062572
-0.02177796 0.01136370 0.00378837
-2.66680923 10.86950934 -14.25591537
0.00073546 -0.00025911 -0.00005139
-0.02601130 0.02466824 0.00656889
-5.39507299 10.44046083 -13.44916943
0.00042772 -0.00030932 0.00051461
-0.00433034 0.00894471 0.00217802
4.09698986 7.92905449 19.04880902
0.00087337 -0.00036925 -0.00022449
0.00551053 0.00321945 0.01803155
2.01308352 7.14364060 17.27790097
-0.00006137 -0.00019506 0.00018693
-0.01648529 -0.00863600 0.00189219
-13.52407117 8.69500340 -8.60920589
-0.00075900 0.00031139 -0.00141405
0.03937575 -0.00233568 0.00443380
-16.15852204 8.23937302 -7.55132692
-0.00106824 0.00046855 0.00001255
0.00716025 0.00553860 -0.01345637
5.20384523 10.16186962 0.21668826
0.00002881 0.00033227 -0.00004193
0.04336001 0.04322785 0.01095781
2.31498183 9.49845562 1.48021930
-0.00112391 0.00129270 -0.00001708
-0.01573233 0.02180370 0.01637122
14.32643504 -23.92164246 -25.51024037
0.00021228 0.00045525 -0.00041798
-0.00289559 -0.00250210 -0.00021892
14.99670481 -23.80038591 -28.23097036
-0.00014763 -0.00103398 -0.00030954
-0.01658515 0.00182792 -0.04064099
4.62562017 3.42973058 -0.97933623
-0.00073579 0.00016923 0.00052581
-0.01671697 -0.01979854 -0.01695512
4.84761421 5.79816398 0.28087668
0.00058400 -0.00026746 0.00072438
0.01311904 0.00662780 0.01279183
16.99559579 -3.68749237 -0.44490923
0.00069143 -0.00025932 0.00041057
0.00946408 0.00194034 -0.00899762
16.65862491 -6.67185583 -0.80874638
-0.00059714 0.00062810 0.00049407
-0.00304783 0.02209490 0.00744423
-6.17460323 2.93483573 -1.64373328
-0.00189778 -0.00040916 0.00028816
0.03321503 0.00035240 -0.01936718
-5.22244704 0.90158435 -3.55024698
-0.00014225 0.00032248 -0.00094058
0.01762883 0.02522948 0.01148425
2.59856514 2.93880157 -11.30250931
-0.00046369 -0.00020363 -0.00022103
-0.02332534 -0.01087743 0.00086268
-0.24313046 1.64413226 -10.52094612
-0.00000337 -0.00026257 0.00081824
0.04629946 0.01224075 -0.02697458
16.89731693 7.67141873 -7.95777672
0.00135637 0.00060851 0.00079795
-0.00483715 0.02372675 0.00087692
16.21728715 10.61314958 -7.18251260
-0.00014620 -0.00009454 0.00039642
0.01109693 0.00966862 0.00159185
-6.53125088 0.39931364 11.05359325
-0.00046345 -0.00002343 0.00056674
-0.00952983 -0.00230356 -0.02882710
-7.91053639 1.90556956 13.31160911
0.00021937 -0.00036115 0.00102330
0.02514332 -0.02903992 -0.00739155
-2.13739766 -16.75245665 13.95704925
-0.00037379 -0.00067847 -0.00017420
-0.01887847 0.02614845 -0.01189515
-4.50413927 -17.82894778 12.59721014
-0.00028230 0.00072704 -0.00015263
0.02361160 0.04382796 -0.00327012
7.01702218 -6.33410291 -4.27558408
-0.00084452 0.00024882 -0.00001971
-0.00350196 -0.00597525 -0.01116898
5.53515079 -8.11379470 -6.24457824
-0.00016456 0.00072241 0.00003997
0.01084648 0.00826818 0.01087610
-2.81254870 -11.56029089 2.30965969
0.00036773 0.00038909 -0.00038612
-0.01004409 -0.00144282 0.00456105
-0.21357929 -10.31593282 2.64904298
-0.00025064 0.00013649 -0.00092082
-0.00246791 0.00467799 -0.00356999
-14.81247695 -0.97485770 5.67462711
0.00060717 0.00007507 0.00004336
0.02733698 0.02024146 0.02466054
-16.00573290 -1.80647902 3.37953087
0.00052786 -0.00037478 -0.00016245
-0.00178564 -0.00193914 -0.01699141
-9.56833880 4.85228768 -23.15605057
0.00006685 -0.00015369 -0.00054439
-0.00358119 0.00492108 -0.01325304
-8.99629074 4.59895415 -20.41606268
0.00008492 -0.00011090 0.00025643
0.00225360 0.01414760 0.02862238
1.77907261 1.28605016 -3.02325548
-0.00056455 -0.00062635 -0.00071121
0.00793481 0.00390951 -0.03767346
0.66462557 0.47039692 -0.69988452
0.00071989 0.00003960 -0.00082642
0.00374928 0.00409591 0.01515234
13.82944448 9.63684960 3.71482349
0.00056835 -0.00063476 -0.00068831
0.03161360 0.01665636 0.00553247
11.39443114 9.36284057 2.51332137
0.00028058 -0.00118475 0.00045592
-0.00518113 -0.00991686 0.00350667
5.45087157 -9.12271075 -10.60679839
-0.00007357 -0.00024661 0.00012114
-0.00015904 0.00390211 -0.00499067
-13.02882160 10.42467548 21.19440817
0.00002176 -0.00003363 0.00012959
0.01003053 0.00083309 -0.00409579
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06789781
0.30867581
411.29503786
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.055 s
total exchange = -52.3993138867 (a.u.)
total exchange computation time: 3.3863868713 s
-154.2918728470
-931.37686279
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.054 s
total exchange = -52.3986894396 (a.u.)
total exchange computation time: 3.3855390549 s
-154.2978766152
Anderson extrapolation: theta=1.3558236566 (1.3558236566)
-931.37710929
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3977298526 (a.u.)
total exchange computation time: 3.3870959282 s
-154.3068250653
Anderson extrapolation: theta=0.0553865354 (0.0553865354)
-931.37725818
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.3975895948 (a.u.)
total exchange computation time: 3.3868100643 s
-154.3079897323
Anderson extrapolation: theta=2.0381717560 (2.0000000000)
-931.37726431
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3972881552 (a.u.)
total exchange computation time: 3.3854429722 s
-154.3104153283
Anderson extrapolation: theta=0.2484800999 (0.2484800999)
-931.37727098
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.054 s
total exchange = -52.3972125919 (a.u.)
total exchange computation time: 3.3876819611 s
-154.3109556897
Anderson extrapolation: theta=1.6865131695 (1.6865131695)
-931.37727229
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3971110708 (a.u.)
total exchange computation time: 3.3852100372 s
-154.3116050149
Anderson extrapolation: theta=0.2962290123 (0.2962290123)
-931.37727368
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.3971066444 (a.u.)
total exchange computation time: 3.3883271217 s
-154.3115530034
Anderson extrapolation: theta=1.1933640038 (1.1933640038)
-931.37727402
238.054021 31.459898 290.441501
-142.166043 489.768376 -804.899522
95.887977 521.228274 -514.458021
738.607117
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.055 s
total exchange = -52.3971200370 (a.u.)
total exchange computation time: 3.3839979172 s
679.27468960
-1084.41580191
89.70679689
-388.65979657
-174.88604221
78.70792674
551.60419304
0.00000000
-931.37727425
-8.79415745 -3.87886083 3.48413062
-0.00009639 -0.00018615 0.00052422
0.03818874 0.00425980 -0.02897820
-17.86217382 4.56314549 6.56573195
0.00011561 -0.00037698 -0.00024993
-0.01807885 -0.02625002 -0.01202015
-15.61030382 -0.90287324 0.55197918
0.00030204 0.00020243 -0.00010665
-0.03245482 -0.05849391 -0.03382494
3.41853545 -20.70111387 15.65416293
-0.00028054 -0.00003891 -0.00020596
0.01113338 0.03311318 0.00567634
7.48494542 15.92357627 -1.34340455
0.00029240 0.00020752 0.00000005
-0.00146940 0.01952641 0.02830483
-9.79396105 9.63068198 11.13199920
-0.00012610 -0.00031126 -0.00002145
0.01963493 -0.03903877 -0.01883715
-8.17155026 -0.56172836 -14.18079349
-0.00038750 0.00016891 -0.00029453
0.02605393 -0.01642202 0.00367741
-10.83126998 2.24834366 -7.15474684
-0.00005934 0.00014945 0.00034288
0.02222716 0.00157383 -0.02252993
-0.23132335 -5.74883700 15.15195361
-0.00017382 -0.00000252 0.00027638
0.01541578 0.00806344 0.04203415
-25.46370396 -0.61253981 -20.77924649
-0.00040092 -0.00019855 0.00018309
0.00890626 0.01949187 0.01915859
8.86878067 7.50889071 7.85083128
-0.00004452 -0.00002278 0.00001503
-0.00616885 -0.01698859 0.01409310
20.76248089 28.77305974 -4.92006855
0.00008122 -0.00015614 -0.00029390
0.00953681 0.00718091 -0.00221696
7.75523362 -1.56855865 -7.20451581
0.00009993 0.00006602 -0.00008836
0.01812717 -0.04220020 -0.00663680
-9.38360254 -3.52773820 13.32765601
0.00035967 -0.00001479 0.00052240
-0.04196576 -0.01611707 0.01699777
-1.31919145 -22.75810507 13.88830012
0.00013814 -0.00008393 0.00013706
-0.02076608 0.00475433 0.00622337
-11.08137084 -8.69334394 -8.27467194
-0.00007111 -0.00006273 0.00039702
-0.00038706 0.04709733 -0.00012980
-15.92688024 -8.53697740 -15.53420905
0.00011867 -0.00010957 0.00008241
-0.01709389 -0.03399891 -0.00444400
16.57314774 12.64855380 3.53884552
0.00039651 0.00020186 0.00013172
-0.00975664 -0.02559077 0.01784603
20.27130487 -4.57376798 -14.73562647
-0.00015638 0.00003985 -0.00003370
-0.01239359 -0.04659840 0.01695986
-0.57296694 8.14724303 -14.85638511
0.00035493 -0.00010562 -0.00013520
0.00362112 0.01607655 -0.00253790
0.76075078 -0.81181861 -16.79122499
-0.00015878 0.00028404 -0.00031879
0.03231044 0.00386495 -0.01103775
11.69715443 21.04193302 -23.13999561
0.00031684 -0.00036408 -0.00021697
-0.02962025 0.01582390 0.00973843
-11.27569563 15.21262704 -16.11554481
-0.00011126 0.00010226 -0.00045286
0.01107297 0.00079011 0.00747535
4.39209777 17.55133217 10.89511920
0.00020744 0.00027333 -0.00037477
-0.02705258 0.01040606 0.01994742
-2.09580807 -11.11199614 -3.57502823
-0.00036027 0.00011308 0.00001892
-0.01821204 0.01904646 0.04180697
1.21431232 -8.06672948 3.72357914
0.00014193 -0.00029091 0.00008479
-0.03991498 0.02125222 -0.01047624
9.61073144 1.86013254 8.15445182
0.00002889 0.00035864 0.00022641
-0.00503900 0.01311884 -0.01320789
-6.91038632 -9.39757040 -3.00947281
-0.00000124 0.00025660 -0.00007796
-0.04061941 -0.00807490 0.01991041
3.92623746 -12.49830640 -12.95723975
-0.00007893 0.00034565 -0.00019544
-0.02042093 0.02379475 -0.02276317
1.15521424 -4.61253729 -0.98661883
0.00014006 -0.00000407 0.00027494
-0.00100675 0.01778556 -0.01430987
16.91366428 4.44238877 27.23709397
0.00031876 0.00012034 -0.00021227
0.01088667 0.04102054 -0.02424434
-9.59335559 6.11006415 -4.47964712
-0.00008330 -0.00016324 0.00006529
-0.02332392 0.03560354 0.00572037
-5.02577755 14.92565253 -9.17138720
0.00034955 0.00003092 -0.00025828
0.01081381 -0.00344371 0.01387340
3.04355476 12.17404142 -6.83366906
-0.00003492 0.00004414 -0.00010593
0.01811178 0.00900808 -0.01447119
-4.25414839 11.85808275 -13.76627764
0.00016289 0.00030513 0.00002427
0.02715648 -0.03632389 -0.00614932
3.83635405 7.20944187 17.41198129
0.00013249 0.00010725 -0.00011213
0.00226883 0.00059448 -0.02145484
-15.21906109 8.78246105 -9.08018547
-0.00025961 -0.00021633 0.00002246
-0.05393221 -0.00499417 0.01289878
3.74447821 9.26098234 0.46896633
0.00006350 0.00002644 0.00018705
-0.03075367 -0.06972829 -0.02691224
15.77351168 -24.01399678 -26.66789967
0.00025547 -0.00006208 0.00002001
0.01113871 -0.00202300 0.04018039
5.79209225 4.21849490 0.10521640
-0.00016830 -0.00014331 0.00021756
0.01263102 0.01895784 0.01216958
17.08613442 -5.28968199 0.39777683
0.00029549 0.00007832 -0.00034822
-0.00088337 -0.02399951 -0.00329789
-4.57849005 2.52062437 -2.65636640
-0.00016788 -0.00021669 0.00032780
-0.04892277 -0.01609378 0.01367975
0.92470743 2.38193267 -11.87873287
-0.00008182 0.00024224 -0.00001771
-0.02469742 -0.00727286 0.01409014
15.52385246 8.97420915 -7.46109586
-0.00045866 -0.00029062 0.00019595
0.00583191 -0.02725988 -0.00030785
-6.29074188 0.93918602 12.74243793
-0.00042365 0.00007503 0.00010259
-0.01632010 0.03731456 0.03670941
-3.47998988 -16.13819855 12.74847245
-0.00016222 -0.00005329 0.00041116
-0.00752685 -0.07285462 0.00430416
7.03591999 -6.98162073 -6.05212390
0.00013121 0.00022635 -0.00050111
-0.00924619 0.00919963 0.00363635
-1.14189081 -11.53957194 1.58992969
0.00009632 -0.00009585 -0.00033737
0.00525445 -0.01402534 -0.01270284
-16.30035964 -1.77440445 5.18973681
0.00028556 0.00000564 0.00046098
-0.02302444 -0.01827113 0.00266071
-9.07109656 3.62507094 -21.91813369
-0.00028450 -0.00043158 -0.00048901
0.00385303 -0.00847283 -0.00884957
2.20217979 1.25646321 -1.29855109
-0.00016882 -0.00017537 0.00017203
-0.01942937 -0.01118408 0.00525194
12.42605963 8.56370975 3.83844233
0.00010763 -0.00010502 -0.00012132
-0.02271998 -0.00883854 -0.01000530
-7.26651388 -4.09716172 2.24085373
-0.00028789 -0.00003999 -0.00022629
-0.03038177 -0.00884226 0.03337460
-10.01974753 -3.23000403 2.29039213
0.00072746 -0.00194553 -0.00035851
-0.00463021 0.00601817 -0.00098052
-16.74234492 5.89106049 6.95341518
0.00033698 0.00010431 0.00033533
0.02236601 0.02035278 0.00316755
-17.09394582 3.61473660 5.18785976
-0.00070082 -0.00018941 -0.00004179
-0.00381462 0.00858625 0.00657787
-16.07863292 0.82111327 0.60077272
-0.00122067 -0.00089524 -0.00063284
-0.00502585 0.03139123 0.00247038
-17.16294254 -1.75946966 -0.29236232
-0.00038612 -0.00004487 -0.00015277
0.04125100 0.02511177 0.01702695
1.77573329 -20.88808460 14.96748081
-0.00030539 0.00085210 0.00002684
-0.02325611 -0.01923529 -0.01128264
3.50902212 -18.84362376 15.69014795
-0.00139597 0.00030731 0.00004594
0.01175533 -0.01233613 0.00760532
8.33641506 14.30640569 -1.29068659
-0.00037453 -0.00010047 0.00023240
0.00372028 -0.01497126 0.00508739
7.53790225 16.57336892 0.40067499
-0.00052147 -0.00083325 -0.00015032
-0.00051714 -0.00661110 -0.02257881
-8.42321911 9.24052931 12.40076579
0.00030124 0.00087472 0.00013358
-0.01754017 0.00873873 -0.00683368
-10.54803392 11.15693225 11.63818367
-0.00058701 0.00032374 -0.00055182
-0.00917918 0.02171540 0.01632180
-9.81622978 0.09740412 -14.43352186
0.00043844 -0.00024930 -0.00072925
-0.02635287 0.02095962 0.00583654
-8.28864340 -2.09208753 -15.15981113
0.00021373 0.00108141 0.00041608
0.00743095 -0.00343139 -0.00823883
-12.23674268 1.12552326 -7.03849904
0.00069403 0.00045509 -0.00029996
-0.00739086 -0.00677166 0.00835963
-10.71962745 3.58848288 -5.90346347
-0.00101297 0.00083583 0.00102990
-0.00501844 0.00273004 0.00425569
-1.90154309 -6.08311043 14.55589352
0.00014906 -0.00032783 0.00043107
-0.02080682 -0.00998071 -0.00683003
-0.32360009 -5.70657728 17.05063716
-0.00028426 0.00026712 0.00002375
0.00184370 -0.00138030 -0.03014290
-24.89076291 -0.54121966 -18.96979721
-0.00033135 -0.00010288 -0.00019914
-0.00231951 0.00406923 -0.03418445
-25.61342294 1.12029816 -21.51837213
0.00003091 -0.00006825 -0.00040965
0.00232458 -0.02437883 0.00590130
9.48513410 8.74223366 6.72398378
0.00003705 -0.00008253 0.00002295
0.00999960 0.01073608 -0.02654215
10.10209281 7.74908581 9.19025699
-0.00003773 0.00057633 -0.00023304
0.00178039 -0.00077018 0.00908764
19.78772489 27.47691595 -4.11400135
-0.00009163 0.00008677 0.00028932
-0.00788256 -0.01026561 0.01022273
20.11170994 30.47592353 -4.30385839
-0.00002561 0.00042716 0.00010341
0.00616028 -0.01032252 -0.00709429
6.32453167 -0.55823684 -6.89193723
-0.00142011 -0.00047781 -0.00014517
-0.02725849 0.01527647 0.00247103
7.12705609 -3.35439924 -7.22522585
0.00050739 -0.00025248 0.00011715
0.00635906 0.02151767 0.00206601
-8.67649296 -2.33132331 12.22759571
-0.00040285 0.00085007 -0.00021987
0.00829050 0.02070846 -0.01963727
-11.18556393 -2.95785767 13.56908386
-0.00033926 -0.00026630 -0.00106554
0.02987540 -0.00571341 -0.00145396
-1.44760039 -24.31806209 14.88571428
0.00043111 0.00071448 0.00051943
0.00604998 0.00633954 -0.01092037
-3.07645601 -22.18128389 13.57587034
0.00025658 0.00042623 0.00086281
0.00991417 -0.00868153 0.00854978
-12.25405855 -7.73680647 -7.06339348
-0.00046464 -0.00079779 0.00046959
0.00542259 -0.02315083 -0.02115251
-10.37850374 -7.28209117 -9.32518538
0.00097978 0.00105670 -0.00097938
-0.00859393 -0.01996344 0.02279084
-16.22356415 -10.41305911 -15.72469620
-0.00006430 0.00068324 -0.00084247
0.01004130 0.03589192 0.00842488
-14.24326356 -8.08590893 -16.16839399
-0.00007287 -0.00026672 -0.00005252
0.00125564 -0.00223708 -0.00090278
16.93597667 12.67984865 5.37615899
0.00074513 0.00041071 0.00006672
0.00042655 0.00214129 -0.01191394
17.37751889 14.03622269 2.76428405
-0.00022123 0.00023469 -0.00019780
0.00722024 0.02212113 -0.00416734
18.54091955 -4.19050500 -15.05131875
-0.00059360 -0.00043100 0.00011371
-0.00210173 0.00753132 -0.00470313
21.35860435 -3.31430606 -15.35567795
-0.00138721 0.00021586 0.00018119
0.01551461 0.03581184 -0.01557726
-1.61213262 7.31901531 -13.64191637
0.00116167 0.00004131 0.00017746
-0.00338034 -0.01668863 0.00915513
0.14587960 6.87719276 -15.93520512
-0.00021921 0.00112151 -0.00079667
-0.00162393 -0.00754520 -0.00304774
0.89864303 0.50322864 -15.50166570
-0.00040378 0.00028311 -0.00013348
0.00165692 -0.00319183 0.00021297
2.59557106 -1.05088028 -17.38795707
-0.00032267 0.00010679 -0.00010595
-0.03491327 0.00506676 0.02130814
12.05726781 22.75674936 -22.48789856
0.00042365 0.00088476 0.00126128
0.00853263 -0.00660704 -0.00324995
9.79886915 21.19124676 -23.11700827
0.00068800 0.00039360 0.00008156
0.02295144 -0.01417534 -0.00528023
-9.91546908 16.18167995 -17.07097932
0.00089877 0.00004790 -0.00041434
-0.01683654 -0.00789771 0.00670134
-10.81584247 15.06823355 -14.34897808
0.00017450 0.00093512 0.00027996
0.00147036 0.00135894 -0.01089475
2.84485759 18.56293087 11.39268192
0.00134361 -0.00005712 0.00014336
0.03521015 -0.02150316 -0.01960644
4.92564950 17.91541649 9.19320482
-0.00001355 0.00037782 0.00007968
-0.00874179 0.00774200 -0.00326372
-3.75685341 -10.35006924 -3.04911786
0.00078400 -0.00066982 -0.00077662
0.01343848 -0.01159326 -0.02428302
-1.44958466 -11.25448840 -1.79680438
0.00079195 -0.00086142 0.00039113
0.00648874 -0.00190082 -0.01338759
0.18170797 -6.95136038 4.79032651
-0.00065587 -0.00055199 0.00044412
0.00975713 -0.00658713 -0.00012447
2.81956086 -8.24307540 4.41900644
-0.00050869 -0.00076736 0.00056228
0.04025549 0.00162227 0.02437442
8.36472090 2.02628831 9.46905702
-0.00109562 -0.00026662 -0.00110274
0.00103919 -0.00147936 0.00119297
9.59589699 3.52860572 7.32652111
0.00039862 -0.00022152 0.00060182
0.00021836 -0.00757580 0.00885416
-7.97605343 -8.91150740 -4.41702199
-0.00035136 0.00082266 -0.00046790
0.00827748 0.00627495 -0.00725528
-8.29285007 -10.18520730 -1.96372291
0.00104553 0.00003602 0.00015719
0.02402130 0.00715499 -0.00709990
4.90972109 -13.60902350 -11.96934071
-0.00010806 0.00000143 0.00021936
0.00960514 -0.02039744 0.01025220
2.35092325 -13.20467338 -13.62691838
0.00007244 0.00014817 -0.00089195
0.00578727 -0.00287397 0.01023665
1.35109444 -6.07930967 0.03864464
-0.00002617 0.00086152 -0.00034517
-0.00163094 -0.00932538 0.01221612
-0.14486095 -3.57762357 -0.21206539
-0.00009380 0.00018941 -0.00035215
0.00050909 -0.00856299 0.00184711
17.50750493 3.51398122 25.82006134
-0.00002622 -0.00049968 -0.00019831
0.00320437 -0.00517488 -0.00895581
16.48011566 3.23488580 28.40776001
0.00074336 0.00073167 -0.00022129
-0.01598542 -0.03746946 0.03482668
-10.90070979 7.40517521 -4.11015084
0.00065891 -0.00058365 0.00043516
0.00144124 -0.01859856 0.01041148
-8.61105239 7.25496205 -5.56628718
0.00010133 -0.00068553 0.00076685
0.01743925 -0.00775781 -0.00255714
-6.39287159 16.11245694 -9.17045616
-0.00000399 -0.00042795 0.00012697
-0.00586686 0.00306704 -0.00341448
-4.77133260 14.22626702 -10.83330609
-0.00022184 0.00036815 -0.00040404
-0.00076192 -0.00042612 -0.00730231
2.89106185 10.62601713 -5.93220555
-0.00047411 0.00001791 0.00113241
-0.00259911 -0.01153815 0.00732426
1.50681737 13.10925117 -6.81239569
-0.00066343 0.00012175 -0.00061047
-0.01794669 0.00936290 0.00367435
-2.65657436 10.86637856 -14.25648491
0.00062364 -0.00015457 -0.00002303
-0.02872647 0.02650534 0.00731037
-5.38878985 10.43609519 -13.44138350
0.00041289 -0.00026817 0.00052230
-0.00293021 0.01119447 0.00158398
4.11025926 7.92361437 19.04599419
0.00089571 -0.00035538 -0.00014865
0.00542723 0.00357159 0.01909140
2.01165777 7.14045012 17.28076290
-0.00012551 -0.00022975 0.00019568
-0.01490822 -0.00834792 0.00239285
-13.53424965 8.69960263 -8.63028071
-0.00058304 0.00030027 -0.00138999
0.04676027 -0.00310730 0.00734302
-16.17432617 8.24657092 -7.55155104
-0.00103457 0.00049122 -0.00004358
0.00931919 0.00555891 -0.01401806
5.20560611 10.16817823 0.21639513
0.00020125 0.00050662 0.00000264
0.04104886 0.04212200 0.01085923
2.29764113 9.51851419 1.48046478
-0.00117241 0.00137862 0.00003750
-0.00801168 0.02025725 0.01034693
14.32953056 -23.91489045 -25.51651677
0.00019836 0.00044506 -0.00041599
-0.00391771 -0.00248500 0.00119097
14.99398212 -23.81583958 -28.23685881
-0.00021148 -0.00102838 -0.00046834
-0.01467096 0.00091328 -0.03709365
4.61407103 3.43166240 -0.97196867
-0.00080292 0.00008967 0.00045787
-0.01614052 -0.01914766 -0.01629892
4.85677626 5.79435519 0.29213436
0.00063447 -0.00023535 0.00077686
0.01158432 0.00908991 0.01289560
17.00625720 -3.69132273 -0.43902636
0.00072936 -0.00024170 0.00036846
0.00910601 0.00668726 -0.01161844
16.64957435 -6.66175735 -0.80110716
-0.00061099 0.00071144 0.00051745
-0.00372939 0.01870188 0.00399832
-6.20205214 2.92870917 -1.64000439
-0.00175128 -0.00041030 0.00020373
0.03849853 -0.00091006 -0.02195900
-5.22404056 0.90719467 -3.56400378
-0.00007015 0.00042529 -0.00089193
0.01766563 0.02509463 0.01233084
2.59089510 2.93541380 -11.30579828
-0.00055058 -0.00024523 -0.00021527
-0.01921218 -0.00948510 0.00195706
-0.24176221 1.64056880 -10.50949910
0.00018876 -0.00021046 0.00070247
0.04774610 0.01326531 -0.02969400
16.91751418 7.68127342 -7.94578059
0.00133029 0.00070516 0.00080135
-0.00792725 0.02358299 0.00078799
16.21543424 10.61202778 -7.17651747
-0.00010486 -0.00005938 0.00040271
0.00913766 0.00754021 0.00148764
-6.53849461 0.39889165 11.06121093
-0.00050367 -0.00003387 0.00044365
-0.01015843 -0.00280914 -0.03142478
-7.90647530 1.89926246 13.32673219
0.00031765 -0.00047707 0.00099270
0.02296327 -0.02770240 -0.00758780
-2.14358301 -16.76183240 13.95407168
-0.00044763 -0.00057243 -0.00022020
-0.01726878 0.02575751 -0.01061846
-4.50765028 -17.81669916 12.59482045
-0.00018891 0.00090176 -0.00016598
0.02210700 0.04169729 -0.00326175
7.00424713 -6.33055372 -4.27622193
-0.00085653 0.00022338 -0.00006998
-0.00237920 -0.00647566 -0.01343893
5.53301481 -8.10270520 -6.24364543
-0.00012138 0.00075420 0.00008218
0.01029041 0.00729139 0.00978405
-2.80734054 -11.55449875 2.30400769
0.00032213 0.00038268 -0.00036607
-0.01227627 -0.00169290 0.00525215
-0.21741448 -10.31374209 2.63512132
-0.00025742 0.00015913 -0.00093258
-0.00085376 0.00640205 -0.00218762
-14.80253172 -0.97311144 5.67603316
0.00071474 0.00015562 0.00014230
0.02532069 0.01919130 0.02377392
-15.99786969 -1.81216010 3.37657345
0.00051884 -0.00038199 -0.00022205
-0.00262946 -0.00159371 -0.01218190
-9.56744573 4.85013315 -23.16462258
0.00005246 -0.00013485 -0.00059678
-0.00346307 0.00430007 -0.01238947
-8.99494783 4.59772415 -20.41133919
0.00009342 -0.00006109 0.00036010
0.00190727 0.01023347 0.02212573
1.77084752 1.27677474 -3.03507809
-0.00052621 -0.00060999 -0.00084788
0.01083200 0.00409956 -0.02922757
0.67553885 0.47111644 -0.71181658
0.00071964 0.00004828 -0.00075636
-0.00387407 0.00015371 0.01914263
13.83893851 9.62783856 3.70466843
0.00069455 -0.00056838 -0.00066598
0.03016025 0.01583699 0.00539502
11.39848102 9.34476541 2.52026766
0.00025250 -0.00121881 0.00046105
-0.00856288 -0.00675690 -0.00099449
5.44976762 -9.12639947 -10.60499463
-0.00007361 -0.00024520 0.00011934
-0.00006874 0.00399055 -0.00510174
-13.02847775 10.42417245 21.19634482
0.00002407 -0.00003344 0.00012864
0.00985535 0.00080349 -0.00409476
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06790883
0.30936542
412.21391267
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3996695354 (a.u.)
total exchange computation time: 3.3856751919 s
-154.2985633673
-931.37777965
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3990376061 (a.u.)
total exchange computation time: 3.3862700462 s
-154.3047003569
Anderson extrapolation: theta=1.3424831190 (1.3424831190)
-931.37802088
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.055 s
total exchange = -52.3980839824 (a.u.)
total exchange computation time: 3.3843069077 s
-154.3137721105
Anderson extrapolation: theta=0.0500832123 (0.0500832123)
-931.37816350
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3979541306 (a.u.)
total exchange computation time: 3.3857231140 s
-154.3149273445
Anderson extrapolation: theta=1.8890288066 (1.8890288066)
-931.37816838
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.054 s
total exchange = -52.3976859756 (a.u.)
total exchange computation time: 3.3853089809 s
-154.3172682124
Anderson extrapolation: theta=0.2135253953 (0.2135253953)
-931.37817288
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3976233931 (a.u.)
total exchange computation time: 3.3872449398 s
-154.3177781513
Anderson extrapolation: theta=1.8954157581 (1.8954157581)
-931.37817360
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3975262484 (a.u.)
total exchange computation time: 3.3856449127 s
-154.3185310999
Anderson extrapolation: theta=0.2827397894 (0.2827397894)
-931.37817433
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.3975206750 (a.u.)
total exchange computation time: 3.3875460625 s
-154.3185348012
Anderson extrapolation: theta=1.3205174125 (1.3205174125)
-931.37817450
238.070392 31.497971 290.473572
-142.178988 489.800429 -804.932283
95.891404 521.298400 -514.458711
738.657531
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.3975298154 (a.u.)
total exchange computation time: 3.3849270344 s
679.27419543
-1084.42769533
89.71307824
-388.65241836
-174.88780473
78.71738628
551.60419304
0.00000000
-931.37817456
-8.79545606 -3.88163659 3.49188211
-0.00007565 -0.00018429 0.00050938
0.04248576 0.00294436 -0.02871710
-17.86050941 4.55738950 6.56193656
0.00010664 -0.00038870 -0.00025478
-0.01681151 -0.01930842 -0.00681784
-15.60589845 -0.90006247 0.55024902
0.00028487 0.00017093 -0.00012432
-0.03429465 -0.06400432 -0.03490512
3.41437028 -20.70156977 15.65109540
-0.00027493 -0.00002122 -0.00020297
0.01067453 0.03566335 0.00595546
7.48932573 15.92676438 -1.34329454
0.00029163 0.00021706 0.00001369
-0.00150332 0.01758497 0.02471232
-9.79577688 9.62586249 11.13160481
-0.00011653 -0.00032992 -0.00003056
0.01758002 -0.03351706 -0.01660480
-8.17726232 -0.55925807 -14.18519728
-0.00037248 0.00016179 -0.00029114
0.03236074 -0.01126753 0.00952893
-10.83207435 2.25059146 -7.14969062
-0.00004656 0.00015249 0.00033243
0.02748331 0.01025931 -0.01809496
-0.23387114 -5.74884377 15.15626140
-0.00016545 0.00000168 0.00029773
0.01711659 0.00828253 0.04101066
-25.46968339 -0.61544290 -20.77642627
-0.00039653 -0.00018821 0.00019218
0.00814272 0.02070906 0.01618890
8.86808910 7.50848350 7.85111110
-0.00004767 -0.00003134 0.00002207
-0.00609777 -0.01629467 0.01328701
20.76373599 28.77074533 -4.92448562
0.00008562 -0.00015200 -0.00029450
0.00755335 0.00892639 -0.00010223
7.75680243 -1.56773117 -7.20586675
0.00010732 0.00004537 -0.00009136
0.01063327 -0.03809396 -0.00503899
-9.37836929 -3.52802229 13.33555756
0.00033832 -0.00002150 0.00052978
-0.04107999 -0.00996476 0.01169657
-1.31719946 -22.75934570 13.89038006
0.00012765 -0.00008066 0.00013984
-0.02002194 0.00795794 0.00459258
-11.08243891 -8.69410329 -8.26871717
-0.00006999 -0.00003705 0.00039517
0.00472161 0.05277275 -0.00704185
-15.92516608 -8.53875212 -15.53299010
0.00010985 -0.00012611 0.00008021
-0.01722452 -0.03030901 -0.00410212
16.57905771 12.65148300 3.54089015
0.00039150 0.00018859 0.00014087
-0.00970310 -0.02601113 0.01774897
20.26891138 -4.57334997 -14.73606658
-0.00016421 0.00001511 -0.00002470
-0.01807714 -0.04962053 0.01806393
-0.56762903 8.14572080 -14.85842284
0.00035652 -0.00009594 -0.00013608
0.00256652 0.02156954 -0.00091020
0.75849372 -0.80754305 -16.79604937
-0.00014251 0.00028619 -0.00032420
0.03096521 0.00449596 -0.01000336
11.70179274 21.03653282 -23.14321253
0.00030263 -0.00035361 -0.00021093
-0.02564619 0.02491114 0.01375055
-11.27732179 15.21416396 -16.12230889
-0.00010460 0.00010290 -0.00044797
0.01483342 0.00172015 0.01156150
4.39510499 17.55547230 10.88957457
0.00019452 0.00027765 -0.00036399
-0.02319266 0.00637270 0.02197147
-2.10128236 -11.11022645 -3.57458316
-0.00036694 0.00012149 0.00004057
-0.00771256 0.01365329 0.04238467
1.21628734 -8.07101123 3.72481053
0.00012029 -0.00027947 0.00007952
-0.04424225 0.02324551 -0.01000942
9.61114536 1.86556278 8.15779703
0.00002665 0.00036425 0.00021985
-0.00367048 0.00867384 -0.01229838
-6.91056159 -9.39375259 -3.01056543
-0.00002197 0.00025313 -0.00006914
-0.04000281 -0.00541340 0.01438828
3.92497468 -12.49302992 -12.96025911
-0.00008913 0.00035706 -0.00020668
-0.01921972 0.02058943 -0.02094473
1.15731134 -4.61252980 -0.98254997
0.00013929 0.00000701 0.00026624
-0.00202101 0.02531060 -0.01952612
16.91848775 4.44435217 27.23381640
0.00032477 0.00014189 -0.00022599
0.01247209 0.04276132 -0.02910833
-9.59469510 6.10775293 -4.47864569
-0.00009498 -0.00014640 0.00006879
-0.02209311 0.02988070 0.00787541
-5.02049265 14.92610300 -9.17520782
0.00035503 0.00002919 -0.00025113
0.01052869 -0.00328017 0.01392911
3.04310078 12.17473826 -6.83531382
-0.00002691 0.00004812 -0.00011255
0.01304649 0.00648871 -0.01126142
-4.25160022 11.86251954 -13.76593728
0.00017706 0.00028556 0.00002109
0.02792583 -0.03976302 -0.00624235
3.83835008 7.21105289 17.41021663
0.00013315 0.00010747 -0.00012338
0.00029896 0.00025482 -0.02231898
-15.22316325 8.77919687 -9.07979886
-0.00028919 -0.00021872 0.00002853
-0.06110013 -0.00429136 0.01069956
3.74531203 9.26110993 0.47166820
0.00004683 -0.00000836 0.00017467
-0.03406540 -0.06559198 -0.02121438
15.77738662 -24.01493577 -26.66744457
0.00026077 -0.00006289 0.00003900
0.00948940 -0.00113831 0.03366709
5.78961655 4.21641838 0.10852680
-0.00016177 -0.00013443 0.00022342
0.01276092 0.01558551 0.01059117
17.09056329 -5.28859970 0.39254081
0.00029524 0.00006581 -0.00034828
-0.00005658 -0.02468311 0.00304379
-4.58119698 2.51731201 -2.65139659
-0.00019403 -0.00022456 0.00033526
-0.05277881 -0.01452330 0.01532615
0.92338480 2.38553824 -11.87894420
-0.00009592 0.00023793 -0.00001027
-0.03011934 -0.00949385 0.01486324
15.51699509 8.96974475 -7.45815783
-0.00045444 -0.00030386 0.00019586
0.01058704 -0.02424645 -0.00004893
-6.29715952 0.94045548 12.74411838
-0.00043115 0.00009387 0.00012179
-0.01287317 0.03591565 0.03795809
-3.48245227 -16.13927892 12.75465649
-0.00016602 -0.00008972 0.00041291
-0.00722174 -0.06880247 0.00248032
7.03785250 -6.97819003 -6.05962653
0.00012633 0.00023143 -0.00049834
-0.00973228 0.01055234 0.00713092
-1.14042581 -11.54106385 1.58482020
0.00009911 -0.00010338 -0.00034437
0.00560094 -0.01523294 -0.01452469
-16.29616502 -1.77439030 5.19666185
0.00027476 -0.00000335 0.00046134
-0.01899574 -0.01671308 -0.00127502
-9.07534915 3.61856457 -21.92550293
-0.00028246 -0.00043464 -0.00049203
0.00407510 -0.00342826 -0.00291081
2.19957249 1.25378958 -1.29595043
-0.00017748 -0.00018012 0.00017145
-0.01422056 -0.00728933 -0.00748348
12.42758644 8.56210030 3.83658393
0.00009755 -0.00011001 -0.00012520
-0.01647613 -0.01056235 -0.00509525
-7.27176328 -4.09803254 2.23848207
-0.00041035 -0.00007642 -0.00008706
-0.02956261 -0.00898883 0.03477768
-10.00897756 -3.25900260 2.28498441
0.00069945 -0.00191708 -0.00036704
-0.00908010 0.00790735 -0.00319639
-16.73660493 5.89324876 6.95854224
0.00042098 0.00017734 0.00034460
0.01875665 0.01539993 0.00136917
-17.10457496 3.61215850 5.18743442
-0.00071136 -0.00015832 -0.00002174
-0.00134553 0.00663238 0.00323643
-16.09709692 0.80864662 0.59135587
-0.00124228 -0.00075631 -0.00062128
-0.00555374 0.03661297 0.00318423
-17.16747034 -1.75937324 -0.29413211
-0.00021285 0.00005740 -0.00008134
0.04356545 0.02494969 0.01793859
1.77043978 -20.87589252 14.96753774
-0.00040242 0.00077078 -0.00002032
-0.02423806 -0.02057403 -0.01180242
3.48844283 -18.83939220 15.69107005
-0.00134486 0.00025422 0.00007770
0.01326424 -0.01364959 0.00794164
8.33091116 14.30443993 -1.28704473
-0.00035927 -0.00016178 0.00025204
0.00375007 -0.01504243 0.00452814
7.53006439 16.56066755 0.39772830
-0.00052372 -0.00085632 -0.00023496
-0.00058628 -0.00468185 -0.01885217
-8.41923800 9.25391795 12.40256008
0.00022846 0.00090892 0.00010501
-0.01808841 0.00799802 -0.00715367
-10.55712031 11.16245375 11.63040646
-0.00061952 0.00040252 -0.00048863
-0.00673666 0.01684850 0.01461435
-9.81046069 0.09430683 -14.44428172
0.00031833 -0.00015813 -0.00070707
-0.03244079 0.02366937 0.00501847
-8.28520970 -2.07597156 -15.15382237
0.00024366 0.00105095 0.00037256
0.00721930 -0.01147622 -0.01306417
-12.22655870 1.13214216 -7.04274232
0.00065270 0.00041895 -0.00026514
-0.01283873 -0.01092271 0.00868660
-10.73497573 3.60110394 -5.88788453
-0.00103299 0.00083738 0.00103745
-0.00478360 -0.00197149 -0.00056183
-1.89994474 -6.08833379 14.56215032
0.00006054 -0.00036890 0.00040142
-0.02252345 -0.01011995 -0.00768590
-0.32780755 -5.70261281 17.05006972
-0.00027647 0.00026121 -0.00009570
0.00197062 -0.00151325 -0.02832803
-24.89580430 -0.54263815 -18.97383185
-0.00033923 -0.00008599 -0.00033418
-0.00153475 0.00419922 -0.03191844
-25.61288808 1.11852730 -21.52433602
0.00004028 -0.00017061 -0.00038441
0.00226299 -0.02572533 0.00645189
9.48599634 8.74132462 6.72351475
0.00007685 -0.00003920 -0.00008563
0.00948014 0.01047885 -0.02661136
10.10158145 7.75770708 9.18703985
-0.00002956 0.00057229 -0.00019404
0.00221660 -0.00120739 0.01000305
19.78610890 27.47790293 -4.10934837
-0.00012188 0.00004686 0.00032945
-0.00692720 -0.00926830 0.00942218
20.11151454 30.48201463 -4.30252461
0.00000180 0.00038030 0.00007202
0.00725607 -0.01261652 -0.00826986
6.30239467 -0.56493591 -6.89403901
-0.00151651 -0.00042445 -0.00013835
-0.01992991 0.01084298 0.00086409
7.13486179 -3.35752705 -7.22340532
0.00053418 -0.00016376 0.00012542
0.00675429 0.02190849 0.00198210
-8.68228164 -2.31793775 12.22369591
-0.00037321 0.00092395 -0.00029116
0.00621613 0.01545911 -0.01525841
-11.18973732 -2.96202719 13.55305615
-0.00021476 -0.00029164 -0.00106942
0.03106915 -0.00669063 -0.00044282
-1.44094834 -24.30715067 14.89317116
0.00045485 0.00073427 0.00047834
0.00557243 0.00335152 -0.00919362
-3.07230345 -22.17515653 13.58907448
0.00029561 0.00039048 0.00089705
0.00918954 -0.00881433 0.00821038
-12.26086203 -7.74948277 -7.05699780
-0.00044217 -0.00088890 0.00038268
0.00557920 -0.02144834 -0.02139040
-10.36407045 -7.26685238 -9.33917763
0.00093441 0.00096002 -0.00087191
-0.01361432 -0.02736489 0.02981620
-16.22422089 -10.40171066 -15.73707504
-0.00002452 0.00082121 -0.00080806
0.00943032 0.03164334 0.00841622
-14.24431815 -8.08997830 -16.16920950
-0.00006598 -0.00027468 -0.00005684
0.00211707 -0.00165771 -0.00121048
16.94716675 12.68607494 5.37679476
0.00074648 0.00041917 0.00001862
0.00023325 0.00199685 -0.01163272
17.37442162 14.04042083 2.76118930
-0.00019143 0.00032602 -0.00021537
0.00736992 0.02258705 -0.00443276
18.53195116 -4.19673923 -15.04975722
-0.00059747 -0.00040192 0.00009575
0.00020598 0.00670599 -0.00408876
21.33827158 -3.30997073 -15.35343749
-0.00131663 0.00036972 0.00011379
0.01903764 0.03950104 -0.01741342
-1.59481116 7.31912357 -13.63897398
0.00114562 -0.00002977 0.00021746
-0.00447618 -0.01810415 0.01042831
0.14254165 6.89378417 -15.94724849
-0.00022215 0.00108247 -0.00081531
0.00018516 -0.01156276 -0.00607837
0.89263716 0.50737754 -15.50366143
-0.00039655 0.00026890 -0.00013404
0.00188134 -0.00376829 -0.00048495
2.58966114 -1.04912310 -17.38889331
-0.00046286 0.00012749 -0.00001969
-0.03370956 0.00506452 0.02091506
12.06388397 22.76981826 -22.46907891
0.00045511 0.00083951 0.00124017
0.00686793 -0.01554028 -0.00708612
9.80989238 21.19671639 -23.11594663
0.00077747 0.00033502 0.00005926
0.02084570 -0.01449839 -0.00563886
-9.90250339 16.18215646 -17.07698913
0.00082497 0.00001320 -0.00038510
-0.01929071 -0.00909064 0.00761525
-10.81317989 15.08230204 -14.34511259
0.00017701 0.00094076 0.00022572
-0.00024315 0.00140052 -0.01565407
2.86609068 18.56141516 11.39423146
0.00147730 -0.00013843 0.00006580
0.03023296 -0.01829659 -0.01835733
4.92517844 17.92132105 9.19430008
-0.00004704 0.00041098 0.00005958
-0.00765159 0.00848920 -0.00657566
-3.74468162 -10.36047185 -3.06151131
0.00082344 -0.00070922 -0.00086861
0.00586569 -0.00768937 -0.02074375
-1.43750656 -11.26746791 -1.79134760
0.00081255 -0.00086656 0.00032865
0.00359563 -0.00061606 -0.01720106
0.17216888 -6.95984212 4.79698457
-0.00061181 -0.00058230 0.00044005
0.01180901 -0.00824903 -0.00186943
2.81316402 -8.25453611 4.42818758
-0.00034012 -0.00076121 0.00066430
0.04226408 0.00138843 0.02556461
8.34831848 2.02224370 9.45255247
-0.00109397 -0.00027232 -0.00109528
-0.00023329 -0.00131158 0.00246109
9.60188293 3.52505077 7.33581980
0.00039921 -0.00024380 0.00063353
0.00007451 -0.00333276 0.00666447
-7.98107026 -8.89897520 -4.42426280
-0.00031309 0.00084464 -0.00048840
0.01045929 0.00448346 -0.00278041
-8.27643098 -10.18444777 -1.96158265
0.00113778 0.00006333 0.00012994
0.02113600 0.00621210 -0.00623792
4.90839456 -13.60962712 -11.96573615
-0.00007335 -0.00007642 0.00025666
0.00738461 -0.01770783 0.00800741
2.35218720 -13.20253890 -13.63998395
0.00009830 0.00013739 -0.00084882
0.00686952 -0.00240258 0.01087816
1.35065185 -6.06667258 0.03384148
-0.00003099 0.00080862 -0.00028472
-0.00072433 -0.01656972 0.01737464
-0.14625235 -3.57504486 -0.21729102
-0.00009141 0.00015404 -0.00034429
0.00065976 -0.00875069 0.00200067
17.50720981 3.50632744 25.81681225
-0.00001424 -0.00051870 -0.00023216
0.00266084 -0.00413311 -0.00761341
16.49077623 3.24471263 28.40550780
0.00067589 0.00057289 -0.00007202
-0.01704204 -0.04025203 0.03824577
-10.89078198 7.39585059 -4.10330439
0.00065750 -0.00065249 0.00047913
-0.00213308 -0.01509991 0.01111442
-8.60899809 7.24444139 -5.55486281
0.00017666 -0.00071240 0.00075087
0.01943818 -0.00539581 -0.00526308
-6.39311127 16.10613167 -9.16865620
-0.00002800 -0.00041491 0.00011359
-0.00588233 0.00331415 -0.00313687
-4.77468353 14.23177621 -10.83959050
-0.00022425 0.00036555 -0.00043447
-0.00041715 -0.00084527 -0.00759138
2.88387056 10.62593216 -5.91499498
-0.00048324 -0.00001906 0.00115613
-0.00186968 -0.00655506 0.00428942
1.49631604 13.11136427 -6.82144017
-0.00072778 0.00015523 -0.00059564
-0.01355491 0.00702940 0.00358581
-2.64810001 10.86487219 -14.25660642
0.00050236 -0.00004360 0.00000790
-0.03064304 0.02781837 0.00783114
-5.38268630 10.43241563 -13.43350050
0.00040352 -0.00021823 0.00052758
-0.00165713 0.01325231 0.00100367
4.12386128 7.91839315 19.04434940
0.00091740 -0.00034068 -0.00006988
0.00518953 0.00362164 0.01946668
2.00931835 7.13674802 17.28377148
-0.00018231 -0.00026319 0.00020659
-0.01289984 -0.00802195 0.00294330
-13.54156236 8.70401141 -8.65090550
-0.00038100 0.00028630 -0.00135540
0.05214169 -0.00372870 0.00958906
-16.18955917 8.25410951 -7.55263428
-0.00099264 0.00051363 -0.00010103
0.01120837 0.00541072 -0.01410514
5.20988272 10.17706834 0.21676751
0.00036005 0.00067359 0.00004746
0.03668653 0.03960788 0.01108081
2.27980942 9.53981425 1.48134438
-0.00118919 0.00145765 0.00006765
-0.00020170 0.01842922 0.00441227
14.33238597 -23.90829075 -25.52272018
0.00018034 0.00043500 -0.00040843
-0.00490589 -0.00243866 0.00251239
14.99036031 -23.83123728 -28.24502059
-0.00026603 -0.00102672 -0.00060947
-0.01202980 -0.00010075 -0.03198909
4.60153270 3.43242074 -0.96560000
-0.00086622 0.00001409 0.00039414
-0.01484601 -0.01785047 -0.01490178
4.86664827 5.79110349 0.30418235
0.00067856 -0.00019332 0.00082966
0.01000036 0.01148409 0.01295451
17.01747669 -3.69474325 -0.43385554
0.00076586 -0.00020518 0.00031613
0.00875724 0.01118728 -0.01399458
16.64029523 -6.65051270 -0.79322289
-0.00062798 0.00077996 0.00052603
-0.00458688 0.01484063 0.00020134
-6.22714162 2.92252684 -1.63762129
-0.00158529 -0.00041600 0.00011017
0.04275438 -0.00188344 -0.02384220
-5.22455143 0.91434294 -3.57700487
0.00000169 0.00052666 -0.00084033
0.01749899 0.02452679 0.01292872
2.58204762 2.93144472 -11.30896731
-0.00061945 -0.00028075 -0.00020479
-0.01449700 -0.00790180 0.00317252
-0.23746779 1.63781833 -10.49987191
0.00038504 -0.00015501 0.00057716
0.04833608 0.01388029 -0.03164570
16.93722561 7.69257343 -7.93373617
0.00129182 0.00080069 0.00080423
-0.01090163 0.02318264 0.00062335
16.21414134 10.61136809 -7.17043116
-0.00007191 -0.00003362 0.00040844
0.00699074 0.00507150 0.00131483
-6.54636090 0.39829750 11.06690270
-0.00054607 -0.00004561 0.00031246
-0.01059787 -0.00293817 -0.03279416
-7.90100689 1.89125759 13.34139024
0.00040592 -0.00058666 0.00096180
0.02024583 -0.02594357 -0.00754079
-2.15082670 -16.76962956 13.95044335
-0.00051389 -0.00046865 -0.00026013
-0.01516481 0.02504363 -0.00892866
-4.50980643 -17.80189507 12.59223087
-0.00010279 0.00106596 -0.00017946
0.02004642 0.03868008 -0.00334015
6.99132626 -6.32740140 -4.27768339
-0.00086379 0.00019624 -0.00012880
-0.00117608 -0.00681161 -0.01535779
5.53150949 -8.09116883 -6.24211299
-0.00008089 0.00078173 0.00011980
0.00952613 0.00618792 0.00863307
-2.80288475 -11.54881037 2.29867759
0.00026830 0.00037531 -0.00034356
-0.01407621 -0.00191641 0.00576641
-0.22130199 -10.31115901 2.62106559
-0.00025774 0.00018872 -0.00093879
0.00069882 0.00808341 -0.00085222
-14.79103468 -0.97018902 5.67889623
0.00081143 0.00023045 0.00023659
0.02201063 0.01743510 0.02237816
-15.99016762 -1.81793886 3.37286944
0.00050646 -0.00038760 -0.00026165
-0.00343158 -0.00115150 -0.00720326
-9.56676491 4.84824215 -23.17395390
0.00003879 -0.00011908 -0.00064501
-0.00323124 0.00342091 -0.01122152
-8.99348802 4.59712132 -20.40525970
0.00010035 -0.00002773 0.00043625
0.00148274 0.00609998 0.01515290
1.76328628 1.26775057 -3.04869194
-0.00047607 -0.00059289 -0.00094912
0.01371451 0.00426984 -0.02032899
0.68621470 0.47184538 -0.72257545
0.00068768 0.00004051 -0.00067027
-0.01177171 -0.00395637 0.02299906
13.85028095 9.61979810 3.69484401
0.00081233 -0.00050693 -0.00064414
0.02749647 0.01424332 0.00529491
11.40200610 9.32627613 2.52715300
0.00021038 -0.00123972 0.00044728
-0.01205551 -0.00347795 -0.00574847
5.44866330 -9.13006677 -10.60321825
-0.00007362 -0.00024376 0.00011750
-0.00000592 0.00407721 -0.00518602
-13.02809958 10.42367223 21.19826722
0.00002633 -0.00003326 0.00012769
0.00963393 0.00076709 -0.00406286
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06791845
0.31025611
413.40071099
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.055 s
total exchange = -52.3994919658 (a.u.)
total exchange computation time: 3.3866479397 s
-154.3022587765
-931.37884641
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3988426836 (a.u.)
total exchange computation time: 3.3851239681 s
-154.3084801609
Anderson extrapolation: theta=1.3420882864 (1.3420882864)
-931.37908622
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.055 s
total exchange = -52.3978632185 (a.u.)
total exchange computation time: 3.3849189281 s
-154.3176877955
Anderson extrapolation: theta=0.0499313434 (0.0499313434)
-931.37922791
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.055 s
total exchange = -52.3977301056 (a.u.)
total exchange computation time: 3.3870038986 s
-154.3188689322
Anderson extrapolation: theta=1.8817256531 (1.8817256531)
-931.37923271
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3974558806 (a.u.)
total exchange computation time: 3.3852689266 s
-154.3212624405
Anderson extrapolation: theta=0.2124784019 (0.2124784019)
-931.37923707
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.3973916841 (a.u.)
total exchange computation time: 3.3849029541 s
-154.3217906835
Anderson extrapolation: theta=1.8958919616 (1.8958919616)
-931.37923775
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3972913780 (a.u.)
total exchange computation time: 3.3850510120 s
-154.3225825851
Anderson extrapolation: theta=0.2831738852 (0.2831738852)
-931.37923842
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3972849223 (a.u.)
total exchange computation time: 3.3887369633 s
-154.3225999277
Anderson extrapolation: theta=1.3192488118 (1.3192488118)
-931.37923857
238.091586 31.547212 290.497961
-142.188320 489.834650 -804.966644
95.903266 521.381862 -514.468683
738.724921
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.054 s
total exchange = -52.3972930807 (a.u.)
total exchange computation time: 3.3860330582 s
679.26358701
-1084.41759307
89.71999062
-388.66010898
-174.88782111
78.71441986
551.60419304
0.00000000
-931.37923861
-8.79642691 -3.88438965 3.49941207
-0.00005295 -0.00018304 0.00049475
0.04579278 0.00194218 -0.02818678
-17.85897470 4.55148455 6.55808858
0.00009840 -0.00039666 -0.00025682
-0.01521347 -0.01165369 -0.00111123
-15.60175765 -0.89774548 0.54824959
0.00026690 0.00013715 -0.00014240
-0.03559751 -0.06735051 -0.03540290
3.41028746 -20.70175055 15.64807382
-0.00026981 -0.00000239 -0.00019993
0.00923220 0.03755460 0.00585688
7.49369444 15.93008815 -1.34299389
0.00029093 0.00022543 0.00002530
-0.00124588 0.01494668 0.02045418
-9.79745708 9.62078443 11.13108231
-0.00010817 -0.00034554 -0.00003854
0.01495335 -0.02722759 -0.01440157
-8.18272473 -0.55687470 -14.18952755
-0.00035452 0.00015746 -0.00028475
0.03747352 -0.00554776 0.01530530
-10.83266669 2.25291841 -7.14477399
-0.00003122 0.00015986 0.00032424
0.03214023 0.01840838 -0.01376607
-0.23628689 -5.74878664 15.16088558
-0.00015644 0.00000594 0.00031826
0.01792988 0.00829458 0.03879610
-25.47559999 -0.61818623 -20.77348116
-0.00039260 -0.00017740 0.00019959
0.00716996 0.02134103 0.01264839
8.86735049 7.50795058 7.85149343
-0.00005067 -0.00003935 0.00002857
-0.00554750 -0.01487144 0.01197650
20.76504937 28.76849977 -4.92890348
0.00008896 -0.00014714 -0.00029398
0.00543227 0.00997177 0.00212138
7.75845327 -1.56719757 -7.20725656
0.00011078 0.00002703 -0.00009352
0.00279830 -0.03321261 -0.00337546
-9.37345296 -3.52838325 13.34354936
0.00031763 -0.00002498 0.00053427
-0.03936904 -0.00356874 0.00578756
-1.31536194 -22.76052494 13.89249544
0.00011764 -0.00007573 0.00014176
-0.01892302 0.01121761 0.00284747
-11.08347055 -8.69445551 -8.26281673
-0.00006635 -0.00000891 0.00038997
0.00943274 0.05665636 -0.01319817
-15.92358480 -8.54076066 -15.53180279
0.00010104 -0.00014048 0.00007821
-0.01701329 -0.02556967 -0.00365065
16.58489282 12.65421153 3.54307170
0.00038663 0.00017531 0.00014979
-0.00924418 -0.02564326 0.01692026
20.26637843 -4.57331477 -14.73636734
-0.00017466 -0.00001084 -0.00001529
-0.02254972 -0.05129148 0.01850042
-0.56227132 8.14436496 -14.86046760
0.00035751 -0.00008360 -0.00013606
0.00126887 0.02638140 0.00101380
0.75647554 -0.80323280 -16.80095092
-0.00012714 0.00028867 -0.00032898
0.02878397 0.00515334 -0.00861046
11.70623319 21.03132480 -23.14632337
0.00029055 -0.00033881 -0.00020291
-0.02130300 0.03263651 0.01741322
-11.27883352 15.21571415 -16.12898379
-0.00009613 0.00010399 -0.00044107
0.01808196 0.00249058 0.01526592
4.39793329 17.55966159 10.88419945
0.00018388 0.00027972 -0.00035236
-0.01818066 0.00167154 0.02324984
-2.10681616 -11.10835142 -3.57381111
-0.00036793 0.00012699 0.00006228
0.00385898 0.00773670 0.04202802
1.21792103 -8.07511364 3.72596470
0.00009703 -0.00026714 0.00007465
-0.04622357 0.02471655 -0.00892727
9.61153096 1.87105994 8.16104737
0.00002507 0.00036748 0.00021386
-0.00248570 0.00388210 -0.01098934
-6.91104547 -9.38997654 -3.01154704
-0.00004221 0.00025110 -0.00006322
-0.03868328 -0.00246347 0.00862674
3.92356363 -12.48759459 -12.96344005
-0.00009854 0.00036672 -0.00021685
-0.01738549 0.01699212 -0.01861622
1.15939284 -4.61232705 -0.97863174
0.00013803 0.00002182 0.00025492
-0.00288122 0.03229817 -0.02447266
16.92340743 4.44664546 27.23031428
0.00033143 0.00016381 -0.00024177
0.01343415 0.04247616 -0.03226799
-9.59620506 6.10567223 -4.47758350
-0.00010593 -0.00013258 0.00007334
-0.02047310 0.02383800 0.00981355
-5.01512653 14.92652817 -9.17892099
0.00036032 0.00002756 -0.00024402
0.01002650 -0.00306009 0.01371879
3.04274746 12.17548516 -6.83704547
-0.00002160 0.00005084 -0.00011748
0.00759053 0.00405827 -0.00793233
-4.24883661 11.86664956 -13.76564508
0.00019147 0.00026442 0.00001791
0.02809419 -0.04245671 -0.00611285
3.84034842 7.21266587 17.40827978
0.00013274 0.00010758 -0.00013491
-0.00186949 0.00018502 -0.02248987
-15.22773677 8.77589958 -9.07932969
-0.00032173 -0.00022074 0.00003352
-0.06543688 -0.00359094 0.00873404
3.74588304 9.26073149 0.47420640
0.00002897 -0.00004067 0.00016507
-0.03536176 -0.06003880 -0.01612769
15.78133477 -24.01588355 -26.66672974
0.00026507 -0.00006326 0.00005437
0.00722920 -0.00028751 0.02610817
5.78723929 4.21446210 0.11191891
-0.00015534 -0.00012739 0.00022831
0.01223261 0.01178624 0.00843445
17.09499172 -5.28770783 0.38732828
0.00029547 0.00005313 -0.00034510
0.00095028 -0.02460421 0.00933321
-4.58431109 2.51388761 -2.64630855
-0.00022188 -0.00023157 0.00034346
-0.05549915 -0.01276116 0.01655491
0.92182981 2.38907057 -11.87904086
-0.00011273 0.00023255 -0.00000264
-0.03525345 -0.01144314 0.01479605
15.51021940 8.96509330 -7.45522017
-0.00044777 -0.00031544 0.00019594
0.01531899 -0.02076164 0.00037601
-6.30367647 0.94200201 12.74609167
-0.00043680 0.00011176 0.00014121
-0.00907203 0.03368248 0.03756795
-3.48497037 -16.14089008 12.76085967
-0.00016961 -0.00012374 0.00041364
-0.00674925 -0.06350671 0.00034954
7.03970994 -6.97467792 -6.06707415
0.00012124 0.00023719 -0.00049386
-0.01007587 0.01184451 0.01029979
-1.13891759 -11.54267327 1.57959866
0.00010197 -0.00011150 -0.00035223
0.00554997 -0.01635374 -0.01603682
-16.29211695 -1.77450508 5.20357705
0.00026628 -0.00001142 0.00045979
-0.01396425 -0.01464051 -0.00474829
-9.07957031 3.61203176 -21.93289462
-0.00028031 -0.00043505 -0.00049202
0.00428102 0.00184359 0.00293821
2.19685549 1.25105972 -1.29340751
-0.00018343 -0.00018286 0.00016439
-0.00892334 -0.00338373 -0.01997215
12.42898614 8.56040935 3.83468621
0.00009095 -0.00011573 -0.00012655
-0.00920712 -0.01165628 -0.00015218
-7.27882446 -4.09945425 2.23824181
-0.00052822 -0.00011334 0.00005683
-0.02813278 -0.00908663 0.03566021
-9.99876409 -3.28751656 2.27938079
0.00065403 -0.00188146 -0.00038418
-0.01315479 0.00953228 -0.00519346
-16.72971542 5.89638083 6.96375321
0.00048935 0.00022913 0.00034615
0.01471120 0.00994828 -0.00061178
-17.11528656 3.60998688 5.18720742
-0.00071159 -0.00013568 -0.00001600
0.00123393 0.00445412 -0.00042602
-16.11590129 0.79842383 0.58213417
-0.00126526 -0.00059933 -0.00060691
-0.00569349 0.04023442 0.00385354
-17.16932818 -1.75774775 -0.29480250
-0.00003200 0.00015786 -0.00000725
0.04496228 0.02422966 0.01833092
1.76366081 -20.86496135 14.96687135
-0.00050136 0.00068442 -0.00006870
-0.02419439 -0.02169840 -0.01188439
3.46867645 -18.83599717 15.69247886
-0.00128772 0.00019668 0.00011073
0.01470371 -0.01451783 0.00823020
8.32563709 14.30155228 -1.28312536
-0.00034438 -0.00022237 0.00026931
0.00353737 -0.01461779 0.00392394
7.52219060 16.54767924 0.39362623
-0.00052636 -0.00087108 -0.00030293
-0.00070696 -0.00253985 -0.01441808
-8.41636546 9.26779676 12.40391595
0.00015396 0.00093981 0.00007546
-0.01837702 0.00712539 -0.00730880
-10.56661957 11.16900783 11.62352491
-0.00064145 0.00046013 -0.00043270
-0.00399817 0.01135067 0.01275982
-9.80667977 0.09266014 -14.45473402
0.00017576 -0.00005703 -0.00068802
-0.03734853 0.02582273 0.00430599
-8.28133356 -2.06055891 -15.14863427
0.00027274 0.00098767 0.00030930
0.00701561 -0.01950273 -0.01790529
-12.21716156 1.13809165 -7.04645323
0.00058997 0.00036641 -0.00022917
-0.01786960 -0.01479262 0.00892177
-10.75061719 3.61360417 -5.87234003
-0.00105177 0.00082014 0.00102571
-0.00441019 -0.00646484 -0.00518204
-1.89972676 -6.09417736 14.56793608
-0.00003312 -0.00041016 0.00036891
-0.02332687 -0.01007598 -0.00822659
-0.33189424 -5.69874108 17.04776616
-0.00026826 0.00025483 -0.00020596
0.00204808 -0.00160875 -0.02564713
-24.90093975 -0.54379930 -18.97982265
-0.00034341 -0.00006853 -0.00045826
-0.00051320 0.00434419 -0.02881755
-25.61221452 1.11517983 -21.52990451
0.00004928 -0.00027725 -0.00035737
0.00214284 -0.02647516 0.00678766
9.48743958 8.74105780 6.72141481
0.00011387 0.00000152 -0.00019297
0.00864372 0.00945055 -0.02593027
10.10120594 7.76625436 9.18443576
-0.00001995 0.00056650 -0.00015183
0.00248661 -0.00162366 0.01066155
19.78406838 27.47832189 -4.10411793
-0.00014767 0.00001176 0.00036580
-0.00569489 -0.00791407 0.00837188
20.11176384 30.48733252 -4.30169765
0.00003337 0.00032475 0.00003612
0.00820169 -0.01457509 -0.00930480
6.27903624 -0.57097046 -6.89608784
-0.00158189 -0.00038954 -0.00013821
-0.01207148 0.00624538 -0.00079403
7.14308143 -3.35931217 -7.22146332
0.00056217 -0.00007463 0.00013333
0.00694915 0.02172106 0.00188885
-8.68768936 -2.30360476 12.21886099
-0.00035231 0.00097540 -0.00034359
0.00401741 0.00972639 -0.01040703
-11.19200659 -2.96660676 13.53700129
-0.00008681 -0.00032053 -0.00106892
0.03155951 -0.00745427 0.00068916
-1.43395478 -24.29603385 14.90006460
0.00047665 0.00074142 0.00044473
0.00509827 0.00014383 -0.00726048
-3.06758770 -22.16956937 13.60278179
0.00033110 0.00035452 0.00092974
0.00818043 -0.00878959 0.00779330
-12.26732359 -7.76347356 -7.05191306
-0.00041977 -0.00097250 0.00029566
0.00538591 -0.01947265 -0.02120502
-10.35047153 -7.25329068 -9.35134256
0.00087009 0.00083625 -0.00073813
-0.01786864 -0.03321950 0.03566977
-16.22429968 -10.38842291 -15.74893808
0.00001231 0.00093962 -0.00077407
0.00859535 0.02631834 0.00822367
-14.24524299 -8.09414927 -16.17009920
-0.00005582 -0.00028024 -0.00006231
0.00285469 -0.00106628 -0.00146765
16.95837111 12.69242361 5.37671760
0.00074714 0.00042704 -0.00002772
0.00009135 0.00185877 -0.01105301
17.37177602 14.04600325 2.75782289
-0.00016194 0.00041765 -0.00023319
0.00706702 0.02226528 -0.00429052
18.52299539 -4.20256246 -15.04844628
-0.00059196 -0.00037622 0.00008031
0.00249182 0.00587016 -0.00346977
21.31910556 -3.30321454 -15.35226423
-0.00123406 0.00053591 0.00004024
0.02138037 0.04185104 -0.01859137
-1.57776402 7.31812229 -13.63539247
0.00112593 -0.00010591 0.00026171
-0.00516318 -0.01916643 0.01123253
0.13921505 6.90966695 -15.95966438
-0.00021804 0.00102773 -0.00084601
0.00182717 -0.01523598 -0.00895107
0.88674660 0.51129551 -15.50568687
-0.00038848 0.00025245 -0.00013733
0.00206886 -0.00428058 -0.00112536
2.58168529 -1.04705554 -17.38854775
-0.00059639 0.00014784 0.00006424
-0.03165354 0.00489477 0.02017044
12.07092104 22.78193476 -22.45069355
0.00048018 0.00076034 0.00120405
0.00540567 -0.02321494 -0.01059358
9.82219316 21.20129747 -23.11523058
0.00085712 0.00027541 0.00003555
0.01814718 -0.01468211 -0.00596692
-9.89071996 16.18207583 -17.08253223
0.00074186 -0.00002592 -0.00035256
-0.02139394 -0.01005733 0.00831078
-10.81053222 15.09645636 -14.34220647
0.00017284 0.00094637 0.00015328
-0.00179614 0.00134345 -0.01980696
2.88917663 18.55877812 11.39465594
0.00158834 -0.00020509 -0.00000557
0.02412083 -0.01433418 -0.01657839
4.92423844 17.92774588 9.19499234
-0.00007609 0.00044702 0.00002640
-0.00657260 0.00915413 -0.00967009
-3.73215035 -10.37134571 -3.07517605
0.00082957 -0.00073163 -0.00094529
-0.00286112 -0.00328021 -0.01679388
-1.42520809 -11.28048518 -1.78694501
0.00082144 -0.00086635 0.00025167
0.00075514 0.00071948 -0.02047914
0.16335353 -6.96882941 4.80352806
-0.00056000 -0.00061871 0.00042940
0.01355362 -0.00957418 -0.00334333
2.80935738 -8.26591173 4.43893547
-0.00016747 -0.00075561 0.00076935
0.04224799 0.00135175 0.02585943
8.33190177 2.01811870 9.43619876
-0.00109718 -0.00027743 -0.00108309
-0.00133709 -0.00118954 0.00350164
9.60787343 3.52129158 7.34552692
0.00039929 -0.00024796 0.00065590
-0.00003836 0.00129806 0.00428652
-7.98544607 -8.88616823 -4.43167400
-0.00026628 0.00085932 -0.00049095
0.01245216 0.00270337 0.00153469
-8.25871655 -10.18330752 -1.95982469
0.00121719 0.00008616 0.00010701
0.01773532 0.00496510 -0.00498809
4.90752061 -13.61131599 -11.96164084
-0.00004842 -0.00014225 0.00028400
0.00481715 -0.01451967 0.00537464
2.35387216 -13.20055167 -13.65238284
0.00012802 0.00012838 -0.00080334
0.00767928 -0.00201032 0.01138069
1.35016487 -6.05505099 0.03010314
-0.00003221 0.00072700 -0.00020382
0.00012684 -0.02338551 0.02222238
-0.14760332 -3.57300245 -0.22239402
-0.00008861 0.00011809 -0.00033573
0.00071255 -0.00884406 0.00218832
17.50707776 3.49842037 25.81309658
-0.00000467 -0.00053322 -0.00026003
0.00202381 -0.00297588 -0.00602981
16.50039235 3.25207257 28.40559952
0.00060559 0.00040667 0.00008725
-0.01737040 -0.04111423 0.03971610
-10.88098490 7.38560055 -4.09577679
0.00064100 -0.00070621 0.00052610
-0.00594415 -0.01119556 0.01187436
-8.60575250 7.23359003 -5.54376099
0.00025981 -0.00072972 0.00072419
0.02126285 -0.00307997 -0.00779643
-6.39371146 16.10000951 -9.16704848
-0.00005161 -0.00040122 0.00010137
-0.00567538 0.00339109 -0.00284253
-4.77806002 14.23723360 -10.84634017
-0.00022528 0.00036147 -0.00046555
-0.00008716 -0.00115520 -0.00762096
2.87656467 10.62544546 -5.89752152
-0.00048928 -0.00003557 0.00116715
-0.00108510 -0.00152708 0.00110049
1.48498399 13.11390817 -6.83026488
-0.00077350 0.00017888 -0.00058108
-0.00882434 0.00454591 0.00353897
-2.64150367 10.86507070 -14.25624799
0.00037481 0.00007171 0.00004053
-0.03178929 0.02862328 0.00814289
-5.37668431 10.42954825 -13.42555598
0.00039901 -0.00016039 0.00053056
-0.00054917 0.01506075 0.00045141
4.13778134 7.91339387 19.04389764
0.00093778 -0.00032641 0.00000896
0.00478463 0.00336673 0.01912903
2.00618834 7.13255429 17.28696045
-0.00023019 -0.00029523 0.00021980
-0.01053517 -0.00765887 0.00352471
-13.54567951 8.70819168 -8.67094261
-0.00016212 0.00027011 -0.00131314
0.05500172 -0.00419626 0.01109636
-16.20410526 8.26197970 -7.55458196
-0.00094360 0.00053509 -0.00015784
0.01279280 0.00509573 -0.01370146
5.21640770 10.18838586 0.21781900
0.00049754 0.00082775 0.00009372
0.03061422 0.03585476 0.01156229
2.26196535 9.56224377 1.48249439
-0.00117459 0.00152874 0.00007421
0.00735027 0.01636855 -0.00120137
14.33494072 -23.90184049 -25.52876962
0.00015844 0.00042518 -0.00039573
-0.00581454 -0.00236900 0.00370485
14.98600123 -23.84664115 -28.25514286
-0.00030866 -0.00102923 -0.00072731
-0.00883905 -0.00112793 -0.02569639
4.58808452 3.43208509 -0.96014461
-0.00092292 -0.00005501 0.00033742
-0.01291248 -0.01597602 -0.01286181
4.87713317 5.78855561 0.31702428
0.00071620 -0.00014185 0.00088260
0.00842381 0.01370896 0.01295845
17.02923287 -3.69747815 -0.42954239
0.00080096 -0.00015123 0.00025482
0.00842658 0.01522157 -0.01601977
16.63073500 -6.63835852 -0.78532629
-0.00064883 0.00083193 0.00051852
-0.00561903 0.01059706 -0.00387503
-6.24961084 2.91622908 -1.63669938
-0.00140388 -0.00042516 0.00001020
0.04604931 -0.00260132 -0.02509453
-5.22398986 0.92299437 -3.58921360
0.00007244 0.00062484 -0.00078683
0.01713424 0.02353677 0.01326024
2.57231167 2.92699137 -11.31194191
-0.00066804 -0.00030949 -0.00018917
-0.00929099 -0.00616884 0.00447112
-0.23021103 1.63591853 -10.49218416
0.00058204 -0.00009786 0.00044542
0.04809823 0.01409591 -0.03284479
16.95626891 7.70529421 -7.92165355
0.00124150 0.00089409 0.00080631
-0.01373354 0.02253414 0.00039089
16.21327688 10.61101921 -7.16426428
-0.00004800 -0.00001836 0.00041337
0.00471522 0.00239605 0.00109632
-6.55487670 0.39752328 11.07058464
-0.00058985 -0.00005704 0.00017836
-0.01083308 -0.00265645 -0.03284553
-7.89429768 1.88166273 13.35558614
0.00048195 -0.00068820 0.00093164
0.01697158 -0.02376430 -0.00722215
-2.15899979 -16.77589189 13.94626781
-0.00057057 -0.00036846 -0.00029233
-0.01257986 0.02400193 -0.00683642
-4.51073402 -17.78472042 12.58943658
-0.00002633 0.00121589 -0.00019349
0.01738028 0.03471070 -0.00352783
6.97833332 -6.32466654 -4.28008608
-0.00086604 0.00016804 -0.00019471
0.00007631 -0.00699203 -0.01690352
5.53058799 -8.07925323 -6.24005146
-0.00004408 0.00080437 0.00015258
0.00849275 0.00489374 0.00741401
-2.79929163 -11.54323943 2.29370088
0.00020815 0.00036708 -0.00031937
-0.01536446 -0.00211268 0.00607469
-0.22514668 -10.30808052 2.60695763
-0.00025195 0.00022495 -0.00093974
0.00213689 0.00965388 0.00038828
-14.77818869 -0.96619807 5.68313076
0.00089241 0.00029690 0.00032432
0.01762981 0.01509270 0.02056939
-15.98267586 -1.82378818 3.36872397
0.00049093 -0.00039124 -0.00028093
-0.00417138 -0.00062823 -0.00223631
-9.56628211 4.84656081 -23.18397294
0.00002626 -0.00010736 -0.00068794
-0.00289937 0.00231288 -0.00979402
-8.99193734 4.59689234 -20.39825155
0.00010542 -0.00001127 0.00048364
0.00099840 0.00195510 0.00804266
1.75656555 1.25898807 -3.06355167
-0.00041445 -0.00057514 -0.00101399
0.01644862 0.00441738 -0.01142386
0.69616911 0.47233185 -0.73192481
0.00062360 0.00001598 -0.00056898
-0.01959424 -0.00805268 0.02658288
13.86330855 9.61263056 3.68534409
0.00091706 -0.00045330 -0.00062264
0.02376871 0.01201239 0.00523291
11.40479235 9.30757371 2.53368604
0.00015403 -0.00124721 0.00041390
-0.01552732 -0.00018932 -0.01058938
5.44755895 -9.13371217 -10.60146972
-0.00007362 -0.00024228 0.00011563
0.00002734 0.00416141 -0.00525056
-13.02768788 10.42317467 21.20017547
0.00002853 -0.00003308 0.00012675
0.00937507 0.00074451 -0.00400707
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06792625
0.31131236
414.80811511
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3987153169 (a.u.)
total exchange computation time: 3.3713829517 s
-154.3033268680
-931.38012548
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.3980584644 (a.u.)
total exchange computation time: 3.3722510338 s
-154.3095487908
Anderson extrapolation: theta=1.3448135936 (1.3448135936)
-931.38036395
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3970639790 (a.u.)
total exchange computation time: 3.3744368553 s
-154.3187971455
Anderson extrapolation: theta=0.0509500082 (0.0509500082)
-931.38050525
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3969268558 (a.u.)
total exchange computation time: 3.3706939220 s
-154.3200075693
Anderson extrapolation: theta=1.9059412355 (1.9059412355)
-931.38051014
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.055 s
total exchange = -52.3966415809 (a.u.)
total exchange computation time: 3.3715980053 s
-154.3224883621
Anderson extrapolation: theta=0.2151072741 (0.2151072741)
-931.38051465
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3965745529 (a.u.)
total exchange computation time: 3.3707849979 s
-154.3230408963
Anderson extrapolation: theta=1.8777484716 (1.8777484716)
-931.38051535
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3964706303 (a.u.)
total exchange computation time: 3.3717949390 s
-154.3238657604
Anderson extrapolation: theta=0.2803089482 (0.2803089482)
-931.38051603
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.054 s
total exchange = -52.3964638245 (a.u.)
total exchange computation time: 3.3720200062 s
-154.3238881920
Anderson extrapolation: theta=1.3163108144 (1.3163108144)
-931.38051617
238.117009 31.604801 290.514050
-142.194507 489.870110 -805.002597
95.922502 521.474911 -514.488547
738.806926
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1857220119
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.3964716484 (a.u.)
total exchange computation time: 3.3718030453 s
679.24238281
-1084.38504242
89.72768778
-388.68310155
-174.88597118
78.69891434
551.60419304
0.00000000
-931.38051621
-8.79704447 -3.88712771 3.50672457
-0.00002884 -0.00018221 0.00048042
0.04797001 0.00129249 -0.02752128
-17.85755735 4.54548970 6.55423203
0.00009103 -0.00040059 -0.00025585
-0.01343522 -0.00364792 0.00489177
-15.59789147 -0.89594808 0.54597703
0.00024836 0.00010226 -0.00016059
-0.03650812 -0.06832361 -0.03534301
3.40627587 -20.70164160 15.64509742
-0.00026568 0.00001723 -0.00019704
0.00684036 0.03877420 0.00538531
7.49805353 15.93352723 -1.34253544
0.00029042 0.00023228 0.00003458
-0.00070734 0.01168510 0.01562427
-9.79902193 9.61549631 11.13044871
-0.00010126 -0.00035781 -0.00004540
0.01190456 -0.02047307 -0.01230731
-8.18789804 -0.55453413 -14.19373975
-0.00033434 0.00015618 -0.00027549
0.04099895 0.00053893 0.02071837
-10.83301108 2.25538737 -7.13996356
-0.00001372 0.00017120 0.00031821
0.03592252 0.02567223 -0.00965140
-0.23856430 -5.74866552 15.16580906
-0.00014725 0.00001015 0.00033733
0.01781526 0.00805780 0.03536819
-25.48146129 -0.62076492 -20.77043848
-0.00038922 -0.00016642 0.00020505
0.00596996 0.02136897 0.00855840
8.86656909 7.50730294 7.85196815
-0.00005326 -0.00004646 0.00003428
-0.00453109 -0.01277504 0.01022682
20.76640466 28.76633115 -4.93330497
0.00009118 -0.00014191 -0.00029230
0.00322298 0.01037276 0.00441423
7.76012570 -1.56692019 -7.20867241
0.00011021 0.00001134 -0.00009484
-0.00501118 -0.02780973 -0.00173397
-9.36884035 -3.52877175 13.35158580
0.00029799 -0.00002518 0.00053565
-0.03700326 0.00279002 -0.00043165
-1.31367040 -22.76161763 13.89463279
0.00010827 -0.00006913 0.00014276
-0.01748433 0.01444396 0.00103315
-11.08442942 -8.69437065 -8.25701811
-0.00006038 0.00002081 0.00038177
0.01379851 0.05890909 -0.01867868
-15.92213477 -8.54296646 -15.53064365
0.00009244 -0.00015214 0.00007649
-0.01643581 -0.01978126 -0.00307589
16.59065662 12.65674223 3.54538378
0.00038209 0.00016241 0.00015809
-0.00840708 -0.02449899 0.01537219
20.26367152 -4.57367527 -14.73652537
-0.00018703 -0.00003724 -0.00000586
-0.02556251 -0.05136385 0.01817760
-0.55690383 8.14321266 -14.86250454
0.00035778 -0.00006903 -0.00013499
-0.00020459 0.03031228 0.00312985
0.75467942 -0.79888280 -16.80591889
-0.00011314 0.00029151 -0.00033298
0.02568337 0.00588093 -0.00693570
11.71050930 21.02636856 -23.14929987
0.00028081 -0.00032039 -0.00019312
-0.01659903 0.03898010 0.02067549
-11.28020574 15.21728355 -16.13554091
-0.00008614 0.00010542 -0.00043239
0.02078846 0.00309690 0.01849366
4.40062133 17.56386377 10.87900369
0.00017612 0.00027920 -0.00034031
-0.01197019 -0.00368629 0.02362971
-2.11232019 -11.10641671 -3.57271483
-0.00036273 0.00012934 0.00008357
0.01634804 0.00139283 0.04076874
1.21919813 -8.07902537 3.72705000
0.00007336 -0.00025420 0.00007050
-0.04580660 0.02561033 -0.00720209
9.61189739 1.87658705 8.16421292
0.00002406 0.00036816 0.00020864
-0.00141733 -0.00122359 -0.00930260
-6.91182778 -9.38621950 -3.01246211
-0.00006157 0.00025066 -0.00006030
-0.03660905 0.00073118 0.00274055
3.92201846 -12.48202817 -12.96676461
-0.00010688 0.00037448 -0.00022573
-0.01504023 0.01315622 -0.01589855
1.16145211 -4.61187513 -0.97490231
0.00013638 0.00003998 0.00024121
-0.00351537 0.03831452 -0.02886016
16.92843075 4.44926645 27.22656322
0.00033842 0.00018505 -0.00025869
0.01372538 0.04010707 -0.03350760
-9.59787295 6.10377543 -4.47644560
-0.00011594 -0.00012191 0.00007880
-0.01845757 0.01765690 0.01145305
-5.00968305 14.92692973 -9.18252832
0.00036529 0.00002605 -0.00023708
0.00931021 -0.00279241 0.01323626
3.04245269 12.17626337 -6.83883830
-0.00001915 0.00005234 -0.00012071
0.00196752 0.00179862 -0.00460536
-4.24585626 11.87045205 -13.76540004
0.00020581 0.00024209 0.00001485
0.02770154 -0.04436001 -0.00578110
3.84233233 7.21428028 17.40616944
0.00013120 0.00010772 -0.00014633
-0.00414066 0.00037679 -0.02195225
-15.23281512 8.77257459 -9.07879315
-0.00035568 -0.00022241 0.00003757
-0.06657598 -0.00288221 0.00699530
3.74618125 9.25988988 0.47662018
0.00001092 -0.00006982 0.00015791
-0.03482765 -0.05333500 -0.01170984
15.78533869 -24.01683355 -26.66581349
0.00026809 -0.00006321 0.00006570
0.00450441 0.00046521 0.01793496
5.78495640 4.21259674 0.11537609
-0.00014934 -0.00012236 0.00023198
0.01109404 0.00775625 0.00583496
17.09942748 -5.28700577 0.38218775
0.00029626 0.00004072 -0.00033875
0.00212048 -0.02365733 0.01537565
-4.58785335 2.51036477 -2.64109279
-0.00025084 -0.00023763 0.00035220
-0.05713799 -0.01078821 0.01745157
0.92000286 2.39251463 -11.87902338
-0.00013207 0.00022624 0.00000475
-0.03996122 -0.01307037 0.01392347
15.50356189 8.96028168 -7.45227961
-0.00043870 -0.00032513 0.00019628
0.01994653 -0.01694110 0.00093218
-6.31026341 0.94380839 12.74835478
-0.00044039 0.00012830 0.00016000
-0.00489976 0.03060655 0.03549929
-3.48754055 -16.14299118 12.76706554
-0.00017290 -0.00015470 0.00041320
-0.00604689 -0.05688829 -0.00203838
7.04148965 -6.97107444 -6.07444231
0.00011601 0.00024359 -0.00048784
-0.01024551 0.01306795 0.01310734
-1.13736656 -11.54440885 1.57425340
0.00010471 -0.00012016 -0.00036076
0.00509123 -0.01731888 -0.01716378
-16.28817660 -1.77473280 5.21045561
0.00026058 -0.00001831 0.00045659
-0.00821836 -0.01217871 -0.00772171
-9.08375843 3.60551317 -21.94026365
-0.00027806 -0.00043274 -0.00048909
0.00445522 0.00712977 0.00845843
2.19406965 1.24830375 -1.29101866
-0.00018671 -0.00018365 0.00015110
-0.00384536 0.00032578 -0.03170858
12.43031481 8.55862849 3.83278732
0.00008825 -0.00012185 -0.00012540
-0.00127434 -0.01215620 0.00462959
-7.28760979 -4.10143284 2.24018702
-0.00063902 -0.00015057 0.00020325
-0.02610587 -0.00913836 0.03601212
-9.98935681 -3.31544632 2.27345888
0.00059301 -0.00183982 -0.00040873
-0.01671394 0.01085084 -0.00681978
-16.72192431 5.90012259 6.96892668
0.00054078 0.00025820 0.00033940
0.01046148 0.00428240 -0.00268969
-17.12592254 3.60808824 5.18695431
-0.00070121 -0.00012221 -0.00002563
0.00384694 0.00213978 -0.00428452
-16.13505459 0.79066686 0.57314864
-0.00128773 -0.00043125 -0.00058986
-0.00530936 0.04204094 0.00449122
-17.16843044 -1.75463732 -0.29434947
0.00015273 0.00025430 0.00006744
0.04546658 0.02297649 0.01822588
1.75539906 -20.85535999 14.96547661
-0.00059805 0.00059389 -0.00011654
-0.02313728 -0.02261511 -0.01153228
3.44981121 -18.83349189 15.69439207
-0.00122490 0.00013651 0.00014485
0.01604924 -0.01493209 0.00847046
8.32057980 14.29776876 -1.27896550
-0.00033081 -0.00028026 0.00028403
0.00310564 -0.01371640 0.00328167
7.51427348 16.53453527 0.38864053
-0.00052963 -0.00087676 -0.00035152
-0.00088998 -0.00024075 -0.00936807
-8.41461917 9.28211226 12.40482389
0.00007881 0.00096690 0.00004561
-0.01841009 0.00613700 -0.00730480
-10.57636385 11.17625755 11.61742535
-0.00065189 0.00049460 -0.00038446
-0.00111275 0.00552507 0.01085368
-9.80518780 0.09259603 -14.46492241
0.00001584 0.00005163 -0.00067155
-0.04093387 0.02736338 0.00375676
-8.27702746 -2.04634152 -15.14454351
0.00030098 0.00089244 0.00022669
0.00680926 -0.02711247 -0.02252823
-12.20885958 1.14313456 -7.04961737
0.00050810 0.00029910 -0.00019244
-0.02220511 -0.01815630 0.00905659
-10.76652893 3.62570820 -5.85711311
-0.00106877 0.00078522 0.00099575
-0.00390777 -0.01062881 -0.00948416
-1.90093839 -6.10063845 14.57321766
-0.00012811 -0.00045082 0.00033488
-0.02317242 -0.00983061 -0.00843289
-0.33585541 -5.69496794 17.04389078
-0.00025984 0.00024814 -0.00030351
0.00207245 -0.00166595 -0.02210355
-24.90610665 -0.54469420 -18.98757957
-0.00034293 -0.00005045 -0.00056800
0.00074652 0.00450686 -0.02490425
-25.61140964 1.11020981 -21.53505700
0.00005768 -0.00038572 -0.00032940
0.00197001 -0.02662237 0.00690375
9.48941255 8.74137016 6.71772570
0.00014690 0.00003658 -0.00029609
0.00752272 0.00771496 -0.02454792
10.10098283 7.77470213 9.18248507
-0.00000962 0.00055905 -0.00010749
0.00257425 -0.00202334 0.01104051
19.78167883 27.47825583 -4.09837442
-0.00016795 -0.00001721 0.00039742
-0.00423488 -0.00627032 0.00710774
20.11251579 30.49175715 -4.30144096
0.00006850 0.00026189 -0.00000371
0.00899442 -0.01619411 -0.01019249
6.25493799 -0.57662226 -6.89818534
-0.00161487 -0.00037321 -0.00014477
-0.00407166 0.00175117 -0.00241521
7.15172695 -3.35976609 -7.21940556
0.00059057 0.00001257 0.00014084
0.00695182 0.02096463 0.00178912
-8.69285087 -2.28867567 12.21338826
-0.00034030 0.00100305 -0.00037577
0.00186119 0.00380483 -0.00534598
-11.19234171 -2.97164317 13.52098867
0.00004173 -0.00035213 -0.00106361
0.03136083 -0.00801161 0.00190595
-1.42664877 -24.28490820 14.90651307
0.00049655 0.00073518 0.00041932
0.00463965 -0.00319409 -0.00517916
-3.06237060 -22.16452090 13.61696673
0.00036190 0.00031898 0.00096059
0.00690001 -0.00860773 0.00730744
-12.27345507 -7.77865775 -7.04812789
-0.00039886 -0.00104752 0.00021024
0.00485017 -0.01725215 -0.02060806
-10.33796771 -7.24176487 -9.36132142
0.00078985 0.00069141 -0.00058266
-0.02140878 -0.03768247 0.04043057
-16.22385169 -10.37352220 -15.76029712
0.00004526 0.00103410 -0.00074127
0.00753476 0.01993418 0.00782977
-14.24599287 -8.09838559 -16.17107884
-0.00004295 -0.00028338 -0.00006872
0.00344939 -0.00047126 -0.00166716
16.96958108 12.69888619 5.37596304
0.00074733 0.00043437 -0.00007113
0.00000186 0.00172885 -0.01019245
17.36956353 14.05295022 2.75419353
-0.00013455 0.00050639 -0.00024961
0.00634111 0.02117505 -0.00374536
18.51419233 -4.20802594 -15.04734798
-0.00057736 -0.00035393 0.00006737
0.00465423 0.00504480 -0.00286552
21.30124985 -3.29389345 -15.35223037
-0.00114462 0.00070845 -0.00003657
0.02240055 0.04260721 -0.01900498
-1.56103332 7.31594638 -13.63112256
0.00110433 -0.00018559 0.00030817
-0.00541076 -0.01984068 0.01150794
0.13600042 6.92461598 -15.97262885
-0.00020776 0.00095901 -0.00088779
0.00320606 -0.01840134 -0.01149832
0.88098283 0.51495113 -15.50778129
-0.00037972 0.00023409 -0.00014308
0.00221897 -0.00470801 -0.00168968
2.57176952 -1.04468800 -17.38696602
-0.00071974 0.00016713 0.00014442
-0.02872730 0.00455107 0.01907573
12.07828941 22.79262850 -22.43295742
0.00049969 0.00065241 0.00115436
0.00414539 -0.02961995 -0.01372904
9.83560612 21.20497875 -23.11488021
0.00092457 0.00021534 0.00001057
0.01486973 -0.01472494 -0.00625939
-9.88024768 16.18137883 -17.08756598
0.00065088 -0.00006854 -0.00031762
-0.02313872 -0.01080738 0.00879572
-10.80799462 15.11069302 -14.34051425
0.00016271 0.00095156 0.00006529
-0.00316467 0.00119676 -0.02326590
2.91374086 18.55526259 11.39406439
0.00167209 -0.00025398 -0.00006854
0.01687652 -0.00960084 -0.01424514
4.92289563 17.93473173 9.19509195
-0.00010086 0.00048556 -0.00001873
-0.00554842 0.00970985 -0.01242133
-3.71979442 -10.38242061 -3.08987003
0.00079798 -0.00073515 -0.00100518
-0.01260433 0.00155250 -0.01252143
-1.41286334 -11.29345836 -1.78379750
0.00081889 -0.00086062 0.00016246
-0.00200350 0.00208510 -0.02319163
0.15536883 -6.97840346 4.80986665
-0.00050177 -0.00065981 0.00041334
0.01495288 -0.01054163 -0.00452119
2.80813996 -8.27720450 4.45126819
0.00000098 -0.00074970 0.00087368
0.04020825 0.00154198 0.02520942
8.31540310 2.01392081 9.42005964
-0.00110452 -0.00028212 -0.00106721
-0.00225797 -0.00110778 0.00427454
9.61386159 3.51761193 7.35549675
0.00039901 -0.00023260 0.00066834
-0.00010026 0.00622013 0.00180547
-7.98905874 -8.87319557 -4.43899115
-0.00021187 0.00086684 -0.00047641
0.01418092 0.00097806 0.00557955
-8.23991518 -10.18186298 -1.95837244
0.00128174 0.00010328 0.00008996
0.01386272 0.00341720 -0.00335504
4.90694188 -13.61389472 -11.95721614
-0.00003440 -0.00019437 0.00030007
0.00204521 -0.01099110 0.00249247
2.35602775 -13.19868765 -13.66408426
0.00016045 0.00012078 -0.00075613
0.00819764 -0.00170652 0.01173046
1.34968566 -6.04486261 0.02772673
-0.00003019 0.00061926 -0.00010435
0.00086206 -0.02935335 0.02647273
-0.14891062 -3.57150206 -0.22736292
-0.00008582 0.00008197 -0.00032632
0.00065143 -0.00883622 0.00241637
17.50706975 3.49033091 25.80901136
0.00000217 -0.00054286 -0.00028109
0.00132394 -0.00174525 -0.00427931
16.50894391 3.25691278 28.40812529
0.00053546 0.00024103 0.00024827
-0.01695628 -0.03996633 0.03910516
-10.87155211 7.37466439 -4.08752146
0.00060865 -0.00074333 0.00057624
-0.00988701 -0.00697846 0.01267063
-8.60120379 7.22254992 -5.53313699
0.00034986 -0.00073786 0.00068773
0.02281596 -0.00090543 -0.01005486
-6.39465947 16.09409518 -9.16561497
-0.00007393 -0.00038754 0.00009038
-0.00524998 0.00330530 -0.00253708
-4.78144186 14.24262020 -10.85355689
-0.00022499 0.00035634 -0.00049620
0.00022988 -0.00135270 -0.00738182
2.86919229 10.62486516 -5.87998061
-0.00049204 -0.00003183 0.00116505
-0.00026827 0.00335631 -0.00212705
1.47311113 13.11673067 -6.83887271
-0.00079960 0.00019228 -0.00056664
-0.00395308 0.00201151 0.00353337
-2.63685557 10.86702343 -14.25539051
0.00024412 0.00018928 0.00007403
-0.03218435 0.02893135 0.00825401
-5.37071598 10.42760388 -13.41758380
0.00039863 -0.00009577 0.00053136
0.00036477 0.01657238 -0.00005944
4.15199463 7.90860094 19.04461823
0.00095614 -0.00031377 0.00008498
0.00420520 0.00282074 0.01808413
2.00241268 7.12789118 17.29036544
-0.00026786 -0.00032570 0.00023541
-0.00790465 -0.00725901 0.00411735
-13.54642582 8.71211478 -8.69029967
0.00006264 0.00025229 -0.00126624
0.05501535 -0.00452542 0.01186281
-16.21786731 8.27016219 -7.55736936
-0.00088879 0.00055494 -0.00021197
0.01403802 0.00461981 -0.01279882
5.22480892 10.20190079 0.21957910
0.00060765 0.00096454 0.00014229
0.02328518 0.03110468 0.01221562
2.24457175 9.58567645 1.48357077
-0.00113019 0.00159104 0.00005882
0.01438303 0.01412635 -0.00633352
14.33713912 -23.89553543 -25.53459200
0.00013308 0.00041567 -0.00037849
-0.00659737 -0.00228312 0.00473206
14.98110044 -23.86211415 -28.26683997
-0.00033754 -0.00103581 -0.00081785
-0.00529596 -0.00209376 -0.01862366
4.57384498 3.43077033 -0.95547747
-0.00097067 -0.00011547 0.00029008
-0.01045796 -0.01361925 -0.01030939
4.88813433 5.78684790 0.33066038
0.00074753 -0.00008186 0.00093542
0.00691296 0.01565971 0.01289466
17.04150549 -3.69928018 -0.42621103
0.00083476 -0.00008219 0.00018614
0.00811942 0.01857533 -0.01759651
16.62083039 -6.62555489 -0.77766717
-0.00067422 0.00086601 0.00049399
-0.00681104 0.00608907 -0.00813432
-6.26925789 2.90977190 -1.63731543
-0.00121083 -0.00043680 -0.00009375
0.04844754 -0.00309234 -0.02578695
-5.22237819 0.93308828 -3.60060966
0.00014131 0.00071814 -0.00073255
0.01657750 0.02213414 0.01330664
2.56200631 2.92215996 -11.31464249
-0.00069466 -0.00033095 -0.00016818
-0.00373867 -0.00433650 0.00580330
-0.22000651 1.63488261 -10.48650935
0.00077642 -0.00004064 0.00031032
0.04705012 0.01391134 -0.03328780
16.97447054 7.71939602 -7.90954697
0.00117995 0.00098434 0.00080731
-0.01639290 0.02164672 0.00009790
16.21270140 10.61081717 -7.15803021
-0.00003352 -0.00001419 0.00041735
0.00237406 -0.00035081 0.00085599
-6.56405642 0.39658625 11.07225361
-0.00063417 -0.00006646 0.00004677
-0.01086082 -0.00195429 -0.03156877
-7.88654835 1.87061145 13.36933942
0.00054343 -0.00078000 0.00090339
0.01312146 -0.02117172 -0.00660418
-2.16794385 -16.78068324 13.94167330
-0.00061575 -0.00027318 -0.00031521
-0.00953692 0.02263494 -0.00435937
-4.51059644 -17.76541849 12.58642608
0.00003789 0.00134752 -0.00020856
0.01405887 0.02972591 -0.00384964
6.96534505 -6.32236019 -4.28352471
-0.00086309 0.00013945 -0.00026611
0.00136720 -0.00700450 -0.01804913
5.53018698 -8.06703771 -6.23753555
-0.00001194 0.00082143 0.00018029
0.00723953 0.00345785 0.00615074
-2.79664015 -11.53779798 2.28909647
0.00014391 0.00035810 -0.00029439
-0.01608336 -0.00228251 0.00615584
-0.22886041 -10.30441039 2.59287346
-0.00024062 0.00026724 -0.00093591
0.00340895 0.01104325 0.00148668
-14.76426224 -0.96128215 5.68862592
0.00095388 0.00035288 0.00040405
0.01245784 0.01231030 0.01845591
-15.97543975 -1.82967601 3.36444144
0.00047253 -0.00039261 -0.00028026
-0.00483322 -0.00004199 0.00256555
-9.56597701 4.84502121 -23.19459223
0.00001527 -0.00010057 -0.00072462
-0.00248356 0.00101484 -0.00815995
-8.99032548 4.59678317 -20.39075049
0.00010843 -0.00001142 0.00050228
0.00047362 -0.00202888 0.00108358
1.75085290 1.25049631 -3.07911153
-0.00034218 -0.00055685 -0.00104319
0.01892752 0.00453616 -0.00287069
0.70492265 0.47232480 -0.73964499
0.00052857 -0.00002481 -0.00045392
-0.02692219 -0.01191421 0.02974132
13.87779284 9.60619922 3.67616488
0.00100481 -0.00040973 -0.00060132
0.01918169 0.00931335 0.00520220
11.40662699 9.28885969 2.53957010
0.00008387 -0.00124151 0.00036099
-0.01881515 0.00298061 -0.01531004
5.44645475 -9.13733524 -10.59974938
-0.00007361 -0.00024078 0.00011374
0.00003249 0.00424400 -0.00529474
-13.02724353 10.42267971 21.20206978
0.00003068 -0.00003291 0.00012583
0.00908660 0.00073252 -0.00392391
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06804346
0.31247274
416.35426426
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864575446
ExchangeOperator: bisection time: 2.054 s
total exchange = -52.3972554741 (a.u.)
total exchange computation time: 3.3174490929 s
-154.3019833600
-931.38148087
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864575446
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3966133425 (a.u.)
total exchange computation time: 3.3168158531 s
-154.3080665416
Anderson extrapolation: theta=1.3475507830 (1.3475507830)
-931.38171797
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864575446
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3956404105 (a.u.)
total exchange computation time: 3.3180580139 s
-154.3171273106
Anderson extrapolation: theta=0.0523195306 (0.0523195306)
-931.38185935
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864575446
ExchangeOperator: bisection time: 2.060 s
total exchange = -52.3955063305 (a.u.)
total exchange computation time: 3.3173940182 s
-154.3183212811
Anderson extrapolation: theta=1.9490585169 (1.9490585169)
-931.38186455
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864575446
ExchangeOperator: bisection time: 2.055 s
total exchange = -52.3952241615 (a.u.)
total exchange computation time: 3.3177719116 s
-154.3207960000
Anderson extrapolation: theta=0.2225782616 (0.2225782616)
-931.38186971
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864575446
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3951585312 (a.u.)
total exchange computation time: 3.3166539669 s
-154.3213399204
Anderson extrapolation: theta=1.8691278774 (1.8691278774)
-931.38187062
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864575446
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3950594317 (a.u.)
total exchange computation time: 3.3168191910 s
-154.3221260503
Anderson extrapolation: theta=0.2813904090 (0.2813904090)
-931.38187161
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864575446
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3950548323 (a.u.)
total exchange computation time: 3.3161959648 s
-154.3221267856
Anderson extrapolation: theta=1.3151415234 (1.3151415234)
-931.38187184
238.143123 31.667584 290.522015
-142.198154 489.905874 -805.040045
95.944969 521.573458 -514.518031
738.899934
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864575446
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.3950655207 (a.u.)
total exchange computation time: 3.3169190884 s
679.21162886
-1084.33134693
89.73586990
-388.72058747
-174.88237081
78.67132305
551.60419304
0.00000000
-931.38187198
-8.79729197 -3.88985581 3.51382475
-0.00000392 -0.00018161 0.00046644
0.04890164 0.00102062 -0.02684877
-17.85624366 4.53946671 6.55041321
0.00008460 -0.00040042 -0.00025177
-0.01159761 0.00434420 0.01095347
-15.59430694 -0.89467778 0.54343180
0.00022942 0.00006749 -0.00017862
-0.03712391 -0.06687445 -0.03475606
3.40231705 -20.70123352 15.64216257
-0.00026300 0.00003732 -0.00019448
0.00359993 0.03933649 0.00456969
7.50240717 15.93705646 -1.34195646
0.00029027 0.00023732 0.00004126
0.00008895 0.00791010 0.01035366
-9.80049494 9.61005025 11.12972016
-0.00009599 -0.00036656 -0.00005124
0.00858326 -0.01355031 -0.01039490
-8.19275506 -0.55218941 -14.19779211
-0.00031280 0.00015799 -0.00026363
0.04278232 0.00652306 0.02539377
-10.83307834 2.25805438 -7.13522759
0.00000544 0.00018596 0.00031423
0.03858660 0.03174394 -0.00584119
-0.24070428 -5.74848224 15.17100540
-0.00013835 0.00001417 0.00035433
0.01679201 0.00757222 0.03076487
-25.48727652 -0.62317876 -20.76732976
-0.00038652 -0.00015558 0.00020827
0.00453510 0.02078786 0.00396519
8.86575272 7.50655674 7.85252177
-0.00005522 -0.00005235 0.00003900
-0.00309000 -0.01011156 0.00813532
20.76778482 28.76424255 -4.93767241
0.00009226 -0.00013662 -0.00028943
0.00098464 0.01020101 0.00673096
7.76175947 -1.56685736 -7.21010164
0.00010571 -0.00000150 -0.00009533
-0.01247600 -0.02210762 -0.00018510
-9.36451321 -3.52913872 13.35961891
0.00027970 -0.00002218 0.00053382
-0.03413065 0.00886932 -0.00668879
-1.31211374 -22.76259890 13.89677810
0.00009973 -0.00006091 0.00014282
-0.01573684 0.01753553 -0.00078675
-11.08528185 -8.69383132 -8.25136359
-0.00005223 0.00005132 0.00037091
0.01786716 0.05973060 -0.02356398
-15.92081155 -8.54532486 -15.52950824
0.00008424 -0.00016055 0.00007508
-0.01547572 -0.01291552 -0.00239121
16.59635555 12.65908393 3.54781446
0.00037807 0.00015029 0.00016543
-0.00724668 -0.02264636 0.01315841
20.26076740 -4.57443203 -14.73654317
-0.00020055 -0.00006324 0.00000320
-0.02700326 -0.04972641 0.01706793
-0.55153791 8.14229420 -14.86451733
0.00035728 -0.00005269 -0.00013282
-0.00176119 0.03319856 0.00530759
0.75308144 -0.79448743 -16.81094037
-0.00010096 0.00029476 -0.00033607
0.02165844 0.00673073 -0.00507192
11.71465735 21.02171304 -23.15211687
0.00027356 -0.00029905 -0.00018175
-0.01156023 0.04399663 0.02352055
-11.28141760 15.21887685 -16.14195536
-0.00007489 0.00010713 -0.00042218
0.02293297 0.00353334 0.02118290
4.40321703 17.56803752 10.87399022
0.00017187 0.00027577 -0.00032832
-0.00457853 -0.00965493 0.02299559
-2.11769809 -11.10447125 -3.57130403
-0.00035095 0.00012836 0.00010401
0.02944772 -0.00520461 0.03871741
1.22012184 -8.08273953 3.72807974
0.00005049 -0.00024095 0.00006740
-0.04313361 0.02591547 -0.00487384
9.61225288 1.88210472 8.16730671
0.00002350 0.00036623 0.00020437
-0.00076397 -0.00629293 -0.00732658
-6.91289251 -9.38245682 -3.01335603
-0.00007967 0.00025190 -0.00006041
-0.03379237 0.00411778 -0.00315097
3.92035725 -12.47636026 -12.97021182
-0.00011389 0.00038028 -0.00023313
-0.01220621 0.00942404 -0.01290994
1.16348426 -4.61112762 -0.97139553
0.00013449 0.00006088 0.00022545
-0.00385644 0.04293992 -0.03241295
16.93355996 4.45219684 27.22255366
0.00034538 0.00020456 -0.00027574
0.01336420 0.03579570 -0.03280957
-9.59968324 6.10201485 -4.47521935
-0.00012482 -0.00011440 0.00008502
-0.01607281 0.01155993 0.01272791
-5.00416775 14.92730975 -9.18603353
0.00036985 0.00002469 -0.00023047
0.00839362 -0.00248711 0.01248935
3.04217309 12.17705545 -6.84066667
-0.00001957 0.00005275 -0.00012225
-0.00361539 -0.00022610 -0.00138558
-4.24266220 11.87391231 -13.76519960
0.00021982 0.00021900 0.00001201
0.02678103 -0.04545018 -0.00526367
3.84428430 7.21589759 17.40388974
0.00012848 0.00010803 -0.00015731
-0.00641897 0.00080075 -0.02073465
-15.23840708 8.76922737 -9.07820264
-0.00038937 -0.00022370 0.00004076
-0.06443426 -0.00214874 0.00541321
3.74621078 9.25863680 0.47894363
-0.00000646 -0.00009532 0.00015285
-0.03278891 -0.04581715 -0.00795760
15.78937736 -24.01777996 -26.66475889
0.00026962 -0.00006282 0.00007277
0.00146505 0.00107361 0.00958356
5.78275910 4.21079122 0.11887828
-0.00014406 -0.00011941 0.00023424
0.00942844 0.00371214 0.00295589
17.10387960 -5.28648622 0.37716584
0.00029769 0.00002903 -0.00032940
0.00342545 -0.02180494 0.02096191
-4.59183641 2.50675869 -2.63574240
-0.00028039 -0.00024262 0.00036135
-0.05776270 -0.00860034 0.01809604
0.91786761 2.39585784 -11.87889848
-0.00015368 0.00021920 0.00001149
-0.04406413 -0.01430736 0.01228249
15.49705826 8.95533936 -7.44933186
-0.00042730 -0.00033281 0.00019692
0.02439107 -0.01292944 0.00158498
-6.31688815 0.94585090 12.75089176
-0.00044174 0.00014304 0.00017732
-0.00034851 0.02674072 0.03182404
-3.49015737 -16.14553115 12.77325570
-0.00017575 -0.00018191 0.00041149
-0.00504838 -0.04892595 -0.00461652
7.04319031 -6.96737014 -6.08170935
0.00011074 0.00025060 -0.00048048
-0.01025802 0.01419084 0.01552067
-1.13577626 -11.54627805 1.56877573
0.00010711 -0.00012926 -0.00036977
0.00424075 -0.01806718 -0.01784730
-16.28429966 -1.77505448 5.21727461
0.00025793 -0.00002388 0.00045198
-0.00206869 -0.00946998 -0.01018488
-9.08791219 3.59904958 -21.94756742
-0.00027574 -0.00042776 -0.00048345
0.00459100 0.01224892 0.01347728
2.19125414 1.24555030 -1.28887444
-0.00018754 -0.00018264 0.00013208
0.00062781 0.00360649 -0.04227435
12.43163365 8.55675384 3.83092415
0.00008969 -0.00012809 -0.00012189
0.00689129 -0.01210621 0.00902728
-7.29799505 -4.10397149 2.24433928
-0.00074033 -0.00018794 0.00034999
-0.02348682 -0.00915149 0.03581770
-9.98097388 -3.34271107 2.26711902
0.00051875 -0.00179347 -0.00043887
-0.01963405 0.01183529 -0.00793613
-16.71349206 5.90412680 6.97393532
0.00057486 0.00026420 0.00032413
0.00621965 -0.00134321 -0.00478454
-17.13632275 3.60632073 5.18643862
-0.00068026 -0.00011825 -0.00005110
0.00640674 -0.00020415 -0.00818583
-16.15453328 0.78548642 0.56443835
-0.00130737 -0.00025964 -0.00057024
-0.00430539 0.04196178 0.00511129
-17.16474624 -1.75011874 -0.29277944
0.00033771 0.00034456 0.00014069
0.04508273 0.02120605 0.01763397
1.74571931 -20.84714462 14.96337510
-0.00068851 0.00050002 -0.00016211
-0.02114243 -0.02333415 -0.01077564
3.43192956 -18.83190174 15.69682441
-0.00115681 0.00007558 0.00017985
0.01727860 -0.01489604 0.00866312
8.31571285 14.29314462 -1.27460453
-0.00031938 -0.00033357 0.00029606
0.00248893 -0.01238039 0.00260951
7.50630182 16.52137654 0.38308070
-0.00053378 -0.00087286 -0.00037849
-0.00114434 0.00214727 -0.00383479
-8.41400117 9.29680387 12.40528414
0.00000403 0.00098976 0.00001608
-0.01819479 0.00505032 -0.00714765
-10.58617633 11.18384589 11.61199098
-0.00065053 0.00050518 -0.00034396
0.00177901 -0.00034757 0.00897457
-9.80620451 0.09420892 -14.47488058
-0.00015468 0.00016467 -0.00065684
-0.04253723 0.02797369 0.00344471
-8.27230405 -2.03378575 -15.14183343
0.00032845 0.00076795 0.00012623
0.00663456 -0.03382427 -0.02664927
-12.20191846 1.14706473 -7.05222645
0.00041048 0.00021952 -0.00015537
-0.02558286 -0.02079761 0.00909012
-10.78268016 3.63716084 -5.84246744
-0.00108347 0.00073414 0.00094905
-0.00329236 -0.01437507 -0.01337956
-1.90357018 -6.10770202 14.57798242
-0.00022055 -0.00049006 0.00030068
-0.02207341 -0.00937699 -0.00830620
-0.33968957 -5.69129690 17.03866076
-0.00025144 0.00024130 -0.00038489
0.00203999 -0.00168125 -0.01772963
-24.91122779 -0.54531290 -18.99686278
-0.00033683 -0.00003167 -0.00066018
0.00223990 0.00468905 -0.02021874
-25.61048402 1.10360820 -21.53978639
0.00006528 -0.00049356 -0.00030141
0.00175077 -0.02616712 0.00679561
9.49184657 8.74215534 6.71253215
0.00017486 0.00006334 -0.00039230
0.00616211 0.00537996 -0.02254846
10.10091748 7.78302590 9.18121102
0.00000069 0.00054999 -0.00006221
0.00246886 -0.00240980 0.01112698
19.77902975 27.47780548 -4.09219530
-0.00018193 -0.00003904 0.00042353
-0.00260550 -0.00441509 0.00567487
20.11381897 30.49518930 -4.30180892
0.00010656 0.00019311 -0.00004686
0.00963364 -0.01747439 -0.01092816
6.23059021 -0.58216673 -6.90043085
-0.00161555 -0.00037460 -0.00015773
0.00373767 -0.00243349 -0.00392939
7.16079853 -3.35893517 -7.21723815
0.00061861 0.00009554 0.00014794
0.00677211 0.01964939 0.00168684
-8.69789831 -2.27351340 12.20758790
-0.00033672 0.00100664 -0.00038734
-0.00010853 -0.00204545 -0.00031749
-11.19075484 -2.97717057 13.50509286
0.00016808 -0.00038560 -0.00105323
0.03049126 -0.00837491 0.00317764
-1.41905841 -24.27397832 14.91264414
0.00051462 0.00071526 0.00040256
0.00420802 -0.00655740 -0.00302212
-3.05673062 -22.15999995 13.63159951
0.00038696 0.00028449 0.00098933
0.00536636 -0.00827386 0.00676215
-12.27928930 -7.79489926 -7.04560571
-0.00038081 -0.00111304 0.00012807
0.00398221 -0.01481956 -0.01961829
-10.32677595 -7.23254848 -9.36882245
0.00069648 0.00053083 -0.00040979
-0.02429761 -0.04091984 0.04419376
-16.22294193 -10.35739981 -15.77117631
0.00007336 0.00110031 -0.00071043
0.00622203 0.01247284 0.00726676
-14.24653136 -8.10265079 -16.17216066
-0.00002796 -0.00028410 -0.00007580
0.00388782 0.00011851 -0.00179971
16.98079116 12.70545473 5.37458383
0.00074726 0.00044119 -0.00011049
-0.00003640 0.00160931 -0.00907542
17.36773966 14.06119493 2.75033463
-0.00011087 0.00058924 -0.00026304
0.00524617 0.01938110 -0.00282853
18.50567451 -4.21318024 -15.04642531
-0.00055437 -0.00033493 0.00005683
0.00660231 0.00425166 -0.00229042
21.28476699 -3.28196113 -15.35336125
-0.00105377 0.00088054 -0.00011341
0.02207107 0.04163370 -0.01860805
-1.54463423 7.31255451 -13.62614738
0.00108261 -0.00026721 0.00035461
-0.00521772 -0.02011136 0.01122310
0.13298229 6.93843725 -15.98629800
-0.00019256 0.00087870 -0.00093897
0.00423411 -0.02091284 -0.01355706
0.87535505 0.51831822 -15.50997925
-0.00037042 0.00021419 -0.00015095
0.00233080 -0.00503311 -0.00216157
2.56009316 -1.04204154 -17.38421522
-0.00082933 0.00018466 0.00021942
-0.02491933 0.00402801 0.01763744
12.08591183 22.80150695 -22.41606270
0.00051445 0.00052078 0.00109265
0.00307591 -0.03481204 -0.01647859
9.84993038 21.20775758 -23.11491347
0.00097751 0.00015537 -0.00001552
0.01104315 -0.01462930 -0.00651312
-9.87119348 16.18001949 -17.09206069
0.00055352 -0.00011381 -0.00028110
-0.02452026 -0.01134924 0.00907859
-10.80565097 15.12500302 -14.34024790
0.00014739 0.00095599 -0.00003530
-0.00433234 0.00097244 -0.02597254
2.93933939 18.55115866 11.39259982
0.00172405 -0.00028201 -0.00012084
0.00855890 -0.00411765 -0.01135632
4.92121278 17.94231266 9.19443031
-0.00012163 0.00052609 -0.00007417
-0.00462045 0.01012860 -0.01471570
-3.70821097 -10.39340035 -3.10533140
0.00072507 -0.00071837 -0.00104722
-0.02308759 0.00666240 -0.00805788
-1.40064138 -11.30630375 -1.78207132
0.00080529 -0.00084929 0.00006334
-0.00465395 0.00345914 -0.02532400
0.14830053 -6.98862358 4.81592815
-0.00043857 -0.00070410 0.00039309
0.01598087 -0.01114195 -0.00538737
2.80938676 -8.28840277 4.46514589
0.00015732 -0.00074254 0.00097348
0.03632034 0.00196376 0.02364467
8.29876606 2.00965502 9.40418250
-0.00111502 -0.00028656 -0.00104874
-0.00287896 -0.00106536 0.00476664
9.61984359 3.51431350 7.36557723
0.00039849 -0.00019698 0.00067057
-0.00015006 0.01121741 -0.00071483
-7.99180232 -8.86016298 -4.44596634
-0.00015106 0.00086750 -0.00044609
0.01558732 -0.00065465 0.00926491
-8.22026422 -10.18020901 -1.95712580
0.00132964 0.00011350 0.00008033
0.00958301 0.00158529 -0.00136068
4.90648849 -13.61714704 -11.95263868
-0.00003188 -0.00023180 0.00030426
-0.00081217 -0.00733126 -0.00044304
2.35868574 -13.19692821 -13.67506676
0.00019439 0.00011427 -0.00070796
0.00841718 -0.00147893 0.01185142
1.34925928 -6.03647318 0.02697274
-0.00002552 0.00048972 0.00001070
0.00142402 -0.03405798 0.02984132
-0.15017800 -3.57054321 -0.23218372
-0.00008354 0.00004610 -0.00031589
0.00046412 -0.00872339 0.00269016
17.50714288 3.48213449 25.80466387
0.00000608 -0.00054741 -0.00029481
0.00059126 -0.00048239 -0.00243458
16.51645629 3.25930360 28.41304767
0.00046844 0.00008398 0.00040267
-0.01585083 -0.03691321 0.03647352
-10.86272525 7.36330053 -4.07848959
0.00056020 -0.00076284 0.00062965
-0.01383228 -0.00256930 0.01347377
-8.59525678 7.21145432 -5.52312922
0.00044549 -0.00073759 0.00064280
0.02399793 0.00103514 -0.01193906
-6.39592923 16.08838342 -9.16433695
-0.00009409 -0.00037451 0.00008065
-0.00461834 0.00307193 -0.00222745
-4.78480961 14.24792389 -10.86122602
-0.00022342 0.00035064 -0.00052532
0.00053642 -0.00143746 -0.00687592
2.86180346 10.62449056 -5.86257007
-0.00049144 -0.00000878 0.00114991
0.00056068 0.00792810 -0.00528317
1.46099600 13.11967645 -6.84726398
-0.00080588 0.00019544 -0.00055213
0.00087954 -0.00046087 0.00356791
-2.63417992 10.87074924 -14.25402717
0.00011333 0.00030713 0.00010758
-0.03184229 0.02875241 0.00816890
-5.36472529 10.42667517 -13.40961526
0.00040155 -0.00002565 0.00053018
0.00106271 0.01775048 -0.00051708
4.16646564 7.90398087 19.04644713
0.00097179 -0.00030389 0.00015538
0.00345408 0.00201460 0.01637792
1.99815257 7.12278319 17.29402276
-0.00029443 -0.00035448 0.00025343
-0.00510155 -0.00682509 0.00470287
-13.54380044 8.71576053 -8.70892970
0.00028151 0.00023336 -0.00121756
0.05212595 -0.00474465 0.01196332
-16.23076904 8.27862781 -7.56094115
-0.00082963 0.00057253 -0.00026141
0.01492208 0.00399264 -0.01139943
5.23463719 10.21732200 0.22208784
0.00068627 0.00108046 0.00019369
0.01519883 0.02564041 0.01294305
2.22805963 9.60997489 1.48425900
-0.00105848 0.00164391 0.00002364
0.02072017 0.01175419 -0.01088603
14.33893319 -23.88937029 -25.54012437
0.00010487 0.00040654 -0.00035746
-0.00721111 -0.00218953 0.00556422
14.97587508 -23.87771547 -28.27967844
-0.00035162 -0.00104610 -0.00087873
-0.00159524 -0.00294123 -0.01117386
4.55896451 3.42862090 -0.95144215
-0.00100761 -0.00016555 0.00025392
-0.00762615 -0.01089280 -0.00739355
4.89955916 5.78609991 0.34508674
0.00077294 -0.00001466 0.00098780
0.00552516 0.01723467 0.01274996
17.05427571 -3.69994379 -0.42395809
0.00086736 -0.00000122 0.00011211
0.00783616 0.02105951 -0.01864501
16.61050837 -6.61237809 -0.77050657
-0.00070475 0.00088146 0.00045194
-0.00813139 0.00147079 -0.01245132
-6.28593576 2.90312520 -1.63951185
-0.00100971 -0.00045002 -0.00019950
0.05000463 -0.00337997 -0.02597983
-5.21975055 0.94453871 -3.61119021
0.00020753 0.00080489 -0.00067871
0.01583641 0.02032902 0.01304997
2.55147182 2.91706278 -11.31698741
-0.00069826 -0.00034485 -0.00014181
0.00197864 -0.00246676 0.00710667
-0.20691847 1.63469926 -10.48287462
0.00096487 0.00001497 0.00017500
0.04519855 0.01331176 -0.03295230
16.99166751 7.73482448 -7.89743439
0.00110796 0.00107050 0.00080699
-0.01884880 0.02052948 -0.00024983
16.21227142 10.61059364 -7.15174367
-0.00002861 -0.00002111 0.00042036
0.00002750 -0.00304114 0.00061684
-6.57390175 0.39552945 11.07198785
-0.00067819 -0.00007223 -0.00007710
-0.01068916 -0.00086915 -0.02906997
-7.87799485 1.85826263 13.38268796
0.00058800 -0.00086041 0.00087834
0.00869913 -0.01818710 -0.00566038
-2.17747239 -16.78408738 13.93681162
-0.00064765 -0.00018414 -0.00032723
-0.00607645 0.02095427 -0.00152695
-4.50959724 -17.74429477 12.58317966
0.00008712 0.00145662 -0.00022528
0.01004059 0.02367677 -0.00433234
6.95244058 -6.32048313 -4.28806951
-0.00085483 0.00011115 -0.00034135
0.00267901 -0.00684655 -0.01877774
5.53022965 -8.05461028 -6.23464269
0.00001468 0.00083238 0.00020277
0.00579109 0.00190137 0.00485128
-2.79497435 -11.53249641 2.28486932
0.00007795 0.00034848 -0.00026955
-0.01620379 -0.00242758 0.00599991
-0.23236521 -10.30006345 2.57888041
-0.00022452 0.00031469 -0.00092797
0.00446894 0.01218461 0.00240035
-14.74957230 -0.95561178 5.69525217
0.00099319 0.00039692 0.00047474
0.00678697 0.00924755 0.01614744
-15.96849985 -1.83556642 3.36031615
0.00045161 -0.00039149 -0.00026056
-0.00540662 0.00058732 0.00707752
-9.56582411 4.84354381 -23.20571160
0.00000610 -0.00009936 -0.00075432
-0.00200212 -0.00042542 -0.00637819
-8.98868459 4.59654967 -20.38318302
0.00010925 -0.00002725 0.00049326
-0.00007071 -0.00571809 -0.00549877
1.74630024 1.24228254 -3.09484733
-0.00026046 -0.00053815 -0.00103870
0.02107474 0.00461865 0.00506724
0.71202625 0.47158758 -0.74554245
0.00040555 -0.00008040 -0.00032714
-0.03329809 -0.01529690 0.03232052
13.89345270 9.60033865 3.66730449
0.00107254 -0.00037777 -0.00058009
0.01397601 0.00632912 0.00519071
11.40730852 9.27032833 2.54451586
0.00000104 -0.00122338 0.00028953
-0.02173371 0.00589409 -0.01967259
5.44535072 -9.14093552 -10.59805747
-0.00007360 -0.00023926 0.00011183
-0.00000400 0.00425168 -0.00538526
-13.02676755 10.42218729 21.20395042
0.00003275 -0.00003274 0.00012493
0.00877436 0.00073260 -0.00381455
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06822201
0.31364996
417.92285085
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864575446
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.3950283879 (a.u.)
total exchange computation time: 3.3173890114 s
-154.2974049091
-931.38257679
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864575446
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3944168930 (a.u.)
total exchange computation time: 3.3160510063 s
-154.3032557764
Anderson extrapolation: theta=1.3478756908 (1.3478756908)
-931.38281001
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864575446
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.3934947199 (a.u.)
total exchange computation time: 3.3171100616 s
-154.3119739058
Anderson extrapolation: theta=0.0521790529 (0.0521790529)
-931.38294883
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864575446
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3933707574 (a.u.)
total exchange computation time: 3.3171617985 s
-154.3131288921
Anderson extrapolation: theta=1.9351325460 (1.9351325460)
-931.38295380
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864575446
ExchangeOperator: bisection time: 2.060 s
total exchange = -52.3931123664 (a.u.)
total exchange computation time: 3.3195230961 s
-154.3155176509
Anderson extrapolation: theta=0.2191613911 (0.2191613911)
-931.38295855
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864575446
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3930540964 (a.u.)
total exchange computation time: 3.3166289330 s
-154.3160437828
Anderson extrapolation: theta=1.8542564516 (1.8542564516)
-931.38295932
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864575446
ExchangeOperator: bisection time: 2.060 s
total exchange = -52.3929689471 (a.u.)
total exchange computation time: 3.3169131279 s
-154.3168020789
Anderson extrapolation: theta=0.2772376070 (0.2772376070)
-931.38296007
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864575446
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.3929677942 (a.u.)
total exchange computation time: 3.3186399937 s
-154.3168028164
Anderson extrapolation: theta=1.3076586181 (1.3076586181)
-931.38296022
238.170516 31.733692 290.521176
-142.199956 489.941017 -805.078807
95.970560 521.674709 -514.557631
739.002305
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864575446
ExchangeOperator: bisection time: 2.055 s
total exchange = -52.3929823174 (a.u.)
total exchange computation time: 3.3162410259 s
679.17311019
-1084.25922816
89.74430282
-388.77083933
-174.87732347
78.63263752
551.60419304
0.00000000
-931.38296026
-8.79716220 -3.89257604 3.52071780
0.00002112 -0.00018106 0.00045279
0.04847756 0.00113160 -0.02625377
-17.85501944 4.53347723 6.54667890
0.00007910 -0.00039622 -0.00024463
-0.00978282 0.01198508 0.01681918
-15.59100882 -0.89392339 0.54061845
0.00021024 0.00003407 -0.00019621
-0.03745743 -0.06308011 -0.03365113
3.39838600 -20.70052198 15.63926297
-0.00026216 0.00005753 -0.00019242
-0.00034161 0.03925638 0.00345724
7.50676150 15.94064671 -1.34129760
0.00029057 0.00024032 0.00004516
0.00110717 0.00375821 0.00481006
-9.80190173 9.60449966 11.12891142
-0.00009247 -0.00037176 -0.00005616
0.00511982 -0.00670302 -0.00871219
-8.19728202 -0.54979436 -14.20164857
-0.00029083 0.00016278 -0.00024963
0.04266059 0.01208181 0.02904158
-10.83284791 2.26096629 -7.13053668
0.00002563 0.00020348 0.00031211
0.03993118 0.03637569 -0.00240374
-0.24271471 -5.74824054 15.17643907
-0.00013019 0.00001787 0.00036869
0.01493169 0.00683769 0.02505982
-25.49305677 -0.62543222 -20.76419046
-0.00038461 -0.00014519 0.00020901
0.00286931 0.01958845 -0.00106278
8.86491252 7.50573253 7.85313816
-0.00005634 -0.00005675 0.00004259
-0.00127092 -0.00702614 0.00581122
20.76917257 28.76223265 -4.94198792
0.00009220 -0.00013154 -0.00028538
-0.00121952 0.00953156 0.00901837
7.76329699 -1.56696508 -7.21153230
0.00009753 -0.00001136 -0.00009506
-0.01935038 -0.01626165 0.00121912
-9.36044938 -3.52943727 13.36760042
0.00026299 -0.00001618 0.00052882
-0.03085450 0.01447576 -0.01277059
-1.31067849 -22.76344489 13.89891735
0.00009216 -0.00005116 0.00014196
-0.01371460 0.02037960 -0.00254422
-11.08599643 -8.69283119 -8.24589086
-0.00004206 0.00008192 0.00035767
0.02168034 0.05929442 -0.02791863
-15.91960771 -8.54778291 -15.52839128
0.00007661 -0.00016521 0.00007407
-0.01417369 -0.00521748 -0.00153488
16.60199858 12.66125092 3.55034665
0.00037470 0.00013928 0.00017148
-0.00583226 -0.02018020 0.01036063
20.25765496 -4.57557241 -14.73642930
-0.00021441 -0.00008796 0.00001150
-0.02689609 -0.04639347 0.01520500
-0.54618558 8.14163186 -14.86648918
0.00035597 -0.00003518 -0.00012955
-0.00330130 0.03491999 0.00740963
0.75165055 -0.79004013 -16.81600099
-0.00009108 0.00029847 -0.00033816
0.01675258 0.00769901 -0.00305416
11.71871621 21.01739693 -23.15475242
0.00026899 -0.00027545 -0.00016903
-0.00622175 0.04777491 0.02594360
-11.28245253 15.22049740 -16.14820639
-0.00006269 0.00010901 -0.00041074
0.02451001 0.00379458 0.02329744
4.40577740 17.57213678 10.86915416
0.00017169 0.00026913 -0.00031693
0.00388043 -0.01613555 0.02128599
-2.12284882 -11.10256595 -3.56959453
-0.00033241 0.00012398 0.00012323
0.04268217 -0.01181743 0.03602774
1.22071279 -8.08625376 3.72907188
0.00002950 -0.00022769 0.00006562
-0.03849595 0.02564935 -0.00204641
9.61260248 1.88757384 8.17034398
0.00002320 0.00036171 0.00020116
-0.00042049 -0.01125172 -0.00515265
-6.91421794 -9.37866237 -3.01427426
-0.00009615 0.00025493 -0.00006351
-0.03027978 0.00763320 -0.00892705
3.91860188 -12.47061964 -12.97375863
-0.00011939 0.00038413 -0.00023899
-0.00919867 0.00554927 -0.00985535
1.16548666 -4.61004884 -0.96813881
0.00013250 0.00008370 0.00020815
-0.00385169 0.04581036 -0.03487985
16.93879227 4.45540339 27.21829098
0.00035202 0.00022144 -0.00029198
0.01243457 0.02984447 -0.03033749
-9.60161753 6.10034345 -4.47389491
-0.00013239 -0.00010994 0.00009179
-0.01336834 0.00577851 0.01358669
-4.99858770 14.92767058 -9.18944239
0.00037388 0.00002350 -0.00022430
0.00729631 -0.00215462 0.01149143
3.04186561 12.17784579 -6.84250572
-0.00002281 0.00005218 -0.00012218
-0.00898366 -0.00197820 0.00163468
-4.23926154 11.87702193 -13.76503977
0.00023323 0.00019556 0.00000948
0.02534444 -0.04569573 -0.00457346
3.84618675 7.21752108 17.40145007
0.00012461 0.00010860 -0.00016750
-0.00861920 0.00141970 -0.01889782
-15.24449614 8.76586356 -9.07757037
-0.00042117 -0.00022460 0.00004314
-0.05921810 -0.00136349 0.00386078
3.74598735 9.25703026 0.48120569
-0.00002251 -0.00011682 0.00014956
-0.02962150 -0.03780406 -0.00481827
15.79342734 -24.01871809 -26.66363034
0.00026955 -0.00006215 0.00007560
-0.00175203 0.00151272 0.00143318
5.78063454 4.20901434 0.12240327
-0.00013975 -0.00011849 0.00023499
0.00732951 -0.00013084 -0.00003954
17.10835815 -5.28613489 0.37230565
0.00029981 0.00001852 -0.00031736
0.00481779 -0.01907754 0.02588262
-4.59626510 2.50308627 -2.63025240
-0.00031001 -0.00024642 0.00037077
-0.05740732 -0.00619745 0.01854936
0.91539243 2.39909068 -11.87867883
-0.00017719 0.00021165 0.00001719
-0.04733623 -0.01505989 0.00990343
15.49074280 8.95029730 -7.44637189
-0.00041368 -0.00033841 0.00019792
0.02856561 -0.00885100 0.00230245
-6.32351558 0.94809969 12.75367426
-0.00044065 0.00015562 0.00019237
0.00457995 0.02217491 0.02670148
-3.49281314 -16.14844857 12.77941023
-0.00017800 -0.00020468 0.00040842
-0.00368439 -0.03962202 -0.00730264
7.04481184 -6.96355636 -6.08885665
0.00010550 0.00025816 -0.00047199
-0.01012320 0.01518760 0.01750449
-1.13415323 -11.54828663 1.56316037
0.00010898 -0.00013867 -0.00037900
0.00303336 -0.01853560 -0.01804384
-16.28043868 -1.77544922 5.22401504
0.00025848 -0.00002803 0.00044624
0.00418624 -0.00665014 -0.01215595
-9.09203053 3.59268049 -21.95476721
-0.00027335 -0.00042022 -0.00047539
0.00468691 0.01705363 0.01788611
2.18844347 1.24282467 -1.28705635
-0.00018633 -0.00018011 0.00010800
0.00409183 0.00622417 -0.05134628
12.43300566 8.55478580 3.82913061
0.00009528 -0.00013417 -0.00011628
0.01483996 -0.01154170 0.01280249
-7.30981972 -4.10707100 2.25068667
-0.00082971 -0.00022530 0.00049476
-0.02026628 -0.00913954 0.03504668
-9.97379423 -3.36925049 2.26029278
0.00043406 -0.00174380 -0.00047230
-0.02182236 0.01248177 -0.00842834
-16.70467863 5.90804869 6.97865073
0.00059195 0.00024776 0.00030044
0.00214640 -0.00670790 -0.00681587
-17.14633032 3.60454071 5.18542125
-0.00064917 -0.00012368 -0.00009224
0.00881356 -0.00245388 -0.01194957
-16.17427583 0.78287766 0.55604132
-0.00132156 -0.00009206 -0.00054811
-0.00263957 0.04007210 0.00572526
-17.15829909 -1.74430052 -0.29012869
0.00051926 0.00042654 0.00021053
0.04378733 0.01892215 0.01655086
1.73474383 -20.84035931 14.96061319
-0.00076915 0.00040360 -0.00020387
-0.01833277 -0.02386330 -0.00966321
3.41510685 -18.83122450 15.69978767
-0.00108398 0.00001570 0.00021554
0.01837104 -0.01441772 0.00880785
8.31099844 14.28776172 -1.27008363
-0.00031077 -0.00038065 0.00030531
0.00172746 -0.01066715 0.00191563
7.49826003 16.50834942 0.37728585
-0.00053913 -0.00085919 -0.00038223
-0.00147574 0.00454737 0.00200344
-8.41449826 9.31180500 12.40530635
-0.00006937 0.00100800 -0.00001249
-0.01773371 0.00388137 -0.00683863
-10.59587979 11.19141292 11.60710663
-0.00063758 0.00049215 -0.00031095
0.00456049 -0.00602927 0.00718411
-9.80982817 0.09753621 -14.48462763
-0.00032794 0.00027844 -0.00064284
-0.04227323 0.02771611 0.00340818
-8.26717403 -2.02330293 -15.14075657
0.00035520 0.00061881 0.00001052
0.00646291 -0.03917982 -0.02999374
-12.19654522 1.14972030 -7.05427844
0.00030146 0.00013101 -0.00011837
-0.02778042 -0.02253029 0.00902360
-10.79903317 3.64773247 -5.82864176
-0.00109548 0.00066873 0.00088737
-0.00258438 -0.01764542 -0.01680852
-1.90755476 -6.11534027 14.58223813
-0.00030669 -0.00052703 0.00026765
-0.02009536 -0.00871919 -0.00786471
-0.34339870 -5.68772891 17.03234416
-0.00024330 0.00023449 -0.00044680
0.00194820 -0.00165359 -0.01257757
-24.91621167 -0.54564422 -19.00738511
-0.00032417 -0.00001209 -0.00073178
0.00395768 0.00489225 -0.01482879
-25.60945111 1.09540290 -21.54409930
0.00007191 -0.00059831 -0.00027434
0.00149039 -0.02510704 0.00645590
9.49465824 8.74327024 6.70595669
0.00019691 0.00007958 -0.00047931
0.00463459 0.00256986 -0.02004536
10.10100343 7.79120198 9.18061889
0.00001018 0.00053937 -0.00001716
0.00217574 -0.00278943 0.01092389
19.77622098 27.47708455 -4.08566838
-0.00018902 -0.00005302 0.00044355
-0.00086738 -0.00242796 0.00412143
20.11571256 30.49755052 -4.30284663
0.00014691 0.00011979 -0.00009269
0.01011975 -0.01841820 -0.01150894
6.20647149 -0.58786035 -6.90291718
-0.00158524 -0.00039217 -0.00017655
0.01109699 -0.00616486 -0.00528646
7.17028514 -3.35690001 -7.21496736
0.00064556 0.00017202 0.00015463
0.00642141 0.01779071 0.00158551
-8.70295240 -2.25847649 12.20176808
-0.00034061 0.00098692 -0.00037882
-0.00179706 -0.00760725 0.00448735
-11.18729927 -2.98321125 13.48939180
0.00028954 -0.00042018 -0.00103760
0.02896211 -0.00854977 0.00447246
-1.41121016 -24.26345031 14.91858998
0.00053101 0.00068179 0.00039461
0.00381401 -0.00982803 -0.00087355
-3.05076176 -22.15598609 13.64664672
0.00040529 0.00025167 0.00101575
0.00360470 -0.00779526 0.00616877
-12.28487947 -7.81204900 -7.04428587
-0.00036697 -0.00116826 0.00005069
0.00279599 -0.01220881 -0.01825892
-10.31707330 -7.22583991 -9.37361501
0.00059252 0.00035924 -0.00022340
-0.02659010 -0.04307648 0.04704474
-16.22165084 -10.34051301 -15.78161015
0.00009576 0.00113441 -0.00068242
0.00474104 0.00421897 0.00644629
-14.24683158 -8.10690873 -16.17335278
-0.00001151 -0.00028244 -0.00008330
0.00416367 0.00069666 -0.00187319
16.99199900 12.71212190 5.37264842
0.00074714 0.00044754 -0.00014482
-0.00002434 0.00149961 -0.00772944
17.36623731 14.07062743 2.74630238
-0.00009228 0.00066352 -0.00027207
0.00385374 0.01698107 -0.00159350
18.49756133 -4.21807398 -15.04564300
-0.00052398 -0.00031909 0.00004857
0.00827279 0.00350198 -0.00175645
21.26963678 -3.26747724 -15.35563255
-0.00096683 0.00104513 -0.00018701
0.02048557 0.03893409 -0.01742226
-1.52855490 7.30793009 -13.62048438
0.00106257 -0.00034910 0.00039873
-0.00459502 -0.01997280 0.01037356
0.13022365 6.95097686 -16.00079802
-0.00017402 0.00078972 -0.00099724
0.00484255 -0.02264246 -0.01496619
0.86987011 0.52137685 -15.51230970
-0.00036075 0.00019321 -0.00016052
0.00240544 -0.00523769 -0.00252477
2.54688958 -1.03914822 -17.38038348
-0.00092155 0.00019967 0.00028786
-0.02022216 0.00332191 0.01586640
12.09372276 22.80825190 -22.40017788
0.00052518 0.00037024 0.00102049
0.00218081 -0.03887940 -0.01884267
9.86493144 21.20963985 -23.11534588
0.00101379 0.00009607 -0.00004257
0.00671712 -0.01439963 -0.00672599
-9.86364204 16.17796460 -17.09599900
0.00045127 -0.00016087 -0.00024383
-0.02553118 -0.01168943 0.00916463
-10.80357284 15.13937261 -14.34157331
0.00012775 0.00095937 -0.00014533
-0.00528430 0.00068572 -0.02788500
2.96546245 18.54680238 11.39043926
0.00174012 -0.00028624 -0.00016026
-0.00069261 0.00204411 -0.00794298
4.91924677 17.95051434 9.19286680
-0.00013888 0.00056801 -0.00013784
-0.00382632 0.01039233 -0.01645030
-3.69804246 -10.40397179 -3.12128661
0.00060872 -0.00068060 -0.00107100
-0.03386278 0.01182975 -0.00358168
-1.38870464 -11.31893714 -1.78189716
0.00078114 -0.00083238 -0.00004328
-0.00716923 0.00481815 -0.02686923
0.14221164 -6.99952654 4.82165948
-0.00037197 -0.00075010 0.00036997
0.01661960 -0.01137550 -0.00593439
2.81285948 -8.29948070 4.48047269
0.00029459 -0.00073320 0.00106520
0.03087468 0.00260646 0.02125153
8.28195258 2.00532394 9.38859748
-0.00112745 -0.00029088 -0.00102886
-0.00320518 -0.00104682 0.00496393
9.62581641 3.51170254 7.37561391
0.00039784 -0.00014114 0.00066267
-0.00017012 0.01611872 -0.00315336
-7.99359061 -8.84717051 -4.45237373
-0.00008525 0.00086175 -0.00040158
0.01662827 -0.00216234 0.01251945
-8.20002596 -10.17845789 -1.95596255
0.00135941 0.00011573 0.00007949
0.00498701 -0.00049727 0.00095044
4.90598533 -13.62084867 -11.94808838
-0.00004088 -0.00025408 0.00029635
-0.00358858 -0.00357765 -0.00343062
2.36185959 -13.19525941 -13.68532293
0.00022861 0.00010845 -0.00065949
0.00833370 -0.00137117 0.01187470
1.34892018 -6.03017103 0.02804760
-0.00001900 0.00034428 0.00013718
0.00176473 -0.03713457 0.03207525
-0.15141693 -3.57011898 -0.23683966
-0.00008230 0.00001091 -0.00030424
0.00014364 -0.00850433 0.00301156
17.50725224 3.47390851 25.80016718
0.00000699 -0.00054681 -0.00030094
-0.00014609 0.00077635 -0.00056664
16.52299723 3.25943215 28.42020538
0.00040713 -0.00005723 0.00054265
-0.01416089 -0.03221087 0.03204949
-10.85474613 7.35177922 -4.06863196
0.00049594 -0.00076425 0.00068627
-0.01762476 0.00188092 0.01424274
-8.58783903 7.20042216 -5.51385314
0.00054500 -0.00073005 0.00059112
0.02471153 0.00265622 -0.01335864
-6.39748203 16.08285993 -9.16319544
-0.00011128 -0.00036270 0.00007218
-0.00379969 0.00271032 -0.00191821
-4.78814449 14.25313948 -10.86931655
-0.00022062 0.00034481 -0.00055186
0.00083691 -0.00141638 -0.00611501
2.85444899 10.62460185 -5.84548331
-0.00048748 0.00003206 0.00112221
0.00138045 0.01206180 -0.00827866
1.44893477 13.12259399 -6.85543660
-0.00079281 0.00018881 -0.00053741
0.00551894 -0.00278681 0.00363744
-2.63345577 10.87623719 -14.25216320
-0.00001455 0.00042322 0.00014038
-0.03075235 0.02807883 0.00788682
-5.35866947 10.42683432 -13.40167841
0.00040685 0.00004854 0.00052726
0.00153297 0.01856583 -0.00091122
4.18114834 7.89948428 19.04927977
0.00098404 -0.00029775 0.00021761
0.00254173 0.00099097 0.01408375
1.99357980 7.11725692 17.29796830
-0.00030938 -0.00038141 0.00027378
-0.00221694 -0.00635943 0.00526095
-13.53798047 8.71911550 -8.72682655
0.00048307 0.00021367 -0.00116956
0.04653862 -0.00489139 0.01153384
-16.24275624 8.28733813 -7.56521156
-0.00076764 0.00058728 -0.00030414
0.01542451 0.00322660 -0.00951692
5.24539695 10.23431461 0.22538982
0.00073127 0.00117317 0.00024801
0.00682904 0.01974349 0.01364727
2.21281737 9.63499369 1.48428006
-0.00096252 0.00168692 -0.00002885
0.02625159 0.00929934 -0.01480958
14.34028532 -23.88333933 -25.54531573
0.00007458 0.00039778 -0.00033347
-0.00761755 -0.00209611 0.00617889
14.97055196 -23.89349705 -28.29320172
-0.00035061 -0.00105952 -0.00090912
0.00208957 -0.00363191 -0.00370500
4.54361667 3.42580390 -0.94785996
-0.00103252 -0.00020397 0.00023010
-0.00456967 -0.00791551 -0.00426742
4.91132260 5.78640817 0.36029451
0.00079304 0.00005801 0.00103940
0.00431187 0.01833713 0.01250875
17.06752618 -3.69931675 -0.42284784
0.00089883 0.00008782 0.00003498
0.00757078 0.02252610 -0.01911024
16.59968800 -6.59911114 -0.76410906
-0.00074082 0.00087819 0.00039244
-0.00952800 -0.00307045 -0.01667233
-6.29954905 2.89627135 -1.64330048
-0.00080388 -0.00046403 -0.00030511
0.05075027 -0.00347913 -0.02571473
-5.21615235 0.95723502 -3.62097098
0.00027036 0.00088346 -0.00062657
0.01491894 0.01813149 0.01247195
2.54105859 2.91181442 -11.31889679
-0.00067859 -0.00035116 -0.00011032
0.00764657 -0.00062318 0.00830763
-0.19106038 1.63533175 -10.48125940
0.00114411 0.00006723 0.00004273
0.04253834 0.01227163 -0.03179295
17.00770932 7.75151111 -7.88533713
0.00102642 0.00115164 0.00080516
-0.02106322 0.01918533 -0.00064999
16.21184312 10.61018373 -7.14541933
-0.00003319 -0.00003869 0.00042244
-0.00226936 -0.00556244 0.00039968
-6.58440218 0.39441939 11.06994049
-0.00072115 -0.00007288 -0.00018859
-0.01033746 0.00055238 -0.02550094
-7.86890822 1.84479920 13.39568959
0.00061337 -0.00092789 0.00085784
0.00371847 -0.01484447 -0.00437607
-2.18737333 -16.78620731 13.93185635
-0.00066467 -0.00010255 -0.00032705
-0.00225564 0.01898246 0.00161366
-4.50798269 -17.72172000 12.57966772
0.00011847 0.00153879 -0.00024435
0.00530337 0.01654890 -0.00500172
6.93970029 -6.31902566 -4.29376513
-0.00084119 0.00008386 -0.00041868
0.00399565 -0.00651400 -0.01907566
5.53062724 -8.04206631 -6.23145252
0.00003506 0.00083679 0.00021988
0.00418540 0.00025636 0.00352730
-2.79430162 -11.52734361 2.28100989
0.00001273 0.00033831 -0.00024584
-0.01572258 -0.00255189 0.00560811
-0.23559613 -10.29496977 2.56503447
-0.00020462 0.00036616 -0.00091675
0.00527538 0.01301315 0.00309236
-14.73446641 -0.94937465 5.70286803
0.00100892 0.00042818 0.00053581
0.00091152 0.00605761 0.01374585
-15.96189131 -1.84142083 3.35662461
0.00042855 -0.00038776 -0.00022321
-0.00588499 0.00124062 0.01120543
-9.56579392 4.84204034 -23.21722187
-0.00000100 -0.00010423 -0.00077656
-0.00147305 -0.00195742 -0.00450798
-8.98704803 4.59596572 -20.37595255
0.00010784 -0.00005736 0.00045846
-0.00061713 -0.00902329 -0.01153990
1.74303917 1.23435184 -3.11027257
-0.00017074 -0.00051920 -0.00100340
0.02284136 0.00465806 0.01221138
0.71708912 0.46991286 -0.74945911
0.00025936 -0.00014833 -0.00019130
-0.03826466 -0.01795395 0.03417394
13.90996910 9.59486598 3.65876222
0.00111826 -0.00035824 -0.00055890
0.00840364 0.00323548 0.00518348
11.40665807 9.25215820 2.54825597
-0.00009256 -0.00119416 0.00020149
-0.02408186 0.00841211 -0.02342493
5.44424667 -9.14451297 -10.59639447
-0.00007361 -0.00023772 0.00010990
-0.00005120 0.00433047 -0.00540319
-13.02626102 10.42169743 21.20581778
0.00003475 -0.00003257 0.00012406
0.00844857 0.00074173 -0.00368856
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06822216
0.31473809
419.37273174
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1865873445
ExchangeOperator: bisection time: 2.055 s
total exchange = -52.3922182588 (a.u.)
total exchange computation time: 3.3967227936 s
-154.2893337493
-931.38326375
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1865873445
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3916366225 (a.u.)
total exchange computation time: 3.3981909752 s
-154.2949603886
Anderson extrapolation: theta=1.3552477158 (1.3552477158)
-931.38349523
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1865873445
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3907548501 (a.u.)
total exchange computation time: 3.3978710175 s
-154.3034115660
Anderson extrapolation: theta=0.0550599081 (0.0550599081)
-931.38363475
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1865873445
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3906353826 (a.u.)
total exchange computation time: 3.3968021870 s
-154.3045623441
Anderson extrapolation: theta=2.0256983704 (2.0000000000)
-931.38364029
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1865873445
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3903841845 (a.u.)
total exchange computation time: 3.3978481293 s
-154.3069799213
Anderson extrapolation: theta=0.2469211049 (0.2469211049)
-931.38364615
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1865873445
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.3903276061 (a.u.)
total exchange computation time: 3.3998498917 s
-154.3075307597
Anderson extrapolation: theta=1.7716833562 (1.7716833562)
-931.38364725
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1865873445
ExchangeOperator: bisection time: 2.053 s
total exchange = -52.3902561894 (a.u.)
total exchange computation time: 3.4004089832 s
-154.3082445598
Anderson extrapolation: theta=0.3037016411 (0.3037016411)
-931.38364834
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1865873445
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.3902620061 (a.u.)
total exchange computation time: 3.3980321884 s
-154.3082133750
Anderson extrapolation: theta=1.2403758599 (1.2403758599)
-931.38364858
238.197133 31.798907 290.512899
-142.200676 489.974660 -805.118619
95.996458 521.773567 -514.605720
739.108937
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1865873445
ExchangeOperator: bisection time: 1.965 s
total exchange = -52.3902883470 (a.u.)
total exchange computation time: 3.3978350163 s
679.12777886
-1084.17104426
89.75296572
-388.83205767
-174.87100296
78.58427909
551.60419304
0.00000000
-931.38364866
-8.79665844 -3.89528753 3.52740832
0.00004558 -0.00018035 0.00043940
0.04665813 0.00161555 -0.02579024
-17.85387068 4.52758021 6.54307434
0.00007452 -0.00038826 -0.00023459
-0.00801532 0.01897413 0.02223550
-15.58799966 -0.89365564 0.53754549
0.00019098 0.00000314 -0.00021310
-0.03746508 -0.05718308 -0.03204536
3.39445231 -20.69950758 15.63639004
-0.00026348 0.00007755 -0.00019099
-0.00479741 0.03857609 0.00211081
7.51112436 15.94426596 -1.34060163
0.00029145 0.00024113 0.00004620
0.00230627 -0.00061012 -0.00078057
-9.80326902 9.59889735 11.12803547
-0.00009074 -0.00037352 -0.00006028
0.00161814 -0.00014636 -0.00730429
-8.20147988 -0.54730611 -14.20528099
-0.00026939 0.00017019 -0.00023409
0.04071933 0.01676321 0.03139988
-10.83230943 2.26415883 -7.12586431
0.00004615 0.00022297 0.00031165
0.03985095 0.03941920 0.00061118
-0.24460995 -5.74794609 15.18206608
-0.00012317 0.00002114 0.00037986
0.01235963 0.00588053 0.01839474
-25.49881488 -0.62753457 -20.76105936
-0.00038363 -0.00013561 0.00020715
0.00095683 0.01768907 -0.00619945
8.86406251 7.50485412 7.85379937
-0.00005646 -0.00005949 0.00004495
0.00082148 -0.00362205 0.00336806
20.77055091 28.76029628 -4.94623386
0.00009103 -0.00012692 -0.00028017
-0.00332881 0.00844866 0.01123577
7.76468523 -1.56719825 -7.21295355
0.00008600 -0.00001822 -0.00009412
-0.02546785 -0.01039564 0.00244491
-9.35662358 -3.52962414 13.37548341
0.00024804 -0.00000745 0.00052077
-0.02726930 0.01946444 -0.01851745
-1.30934904 -22.76413365 13.90103697
0.00008568 -0.00004004 0.00014024
-0.01146984 0.02286986 -0.00415423
-11.08654375 -8.69137362 -8.24063351
-0.00002999 0.00011203 0.00034231
0.02526422 0.05778661 -0.03179364
-15.91851322 -8.55028121 -15.52728616
0.00006974 -0.00016575 0.00007353
-0.01255795 0.00313394 -0.00056780
16.60759662 12.66326222 3.55295877
0.00037211 0.00012965 0.00017596
-0.00425132 -0.01723506 0.00708331
20.25433503 -4.57707070 -14.73619812
-0.00022786 -0.00011060 0.00001869
-0.02539995 -0.04166345 0.01273417
-0.54085871 8.14123892 -14.86840386
0.00035390 -0.00001709 -0.00012526
-0.00476482 0.03541880 0.00926583
0.75034890 -0.78553344 -16.82108516
-0.00008394 0.00030269 -0.00033917
0.01103193 0.00873842 -0.00087125
11.72272708 21.01344940 -23.15718781
0.00026722 -0.00025020 -0.00015517
-0.00064807 0.05044729 0.02797014
-11.28329837 15.22214723 -16.15427769
-0.00004983 0.00011098 -0.00039837
0.02550544 0.00387397 0.02482674
4.40836771 17.57611156 10.86448231
0.00017608 0.00025908 -0.00030670
0.01319475 -0.02297188 0.01851261
-2.12767026 -11.10075181 -3.56760710
-0.00030718 0.00011628 0.00014096
0.05542012 -0.01812977 0.03292603
1.22100675 -8.08957011 3.73004823
0.00001130 -0.00021470 0.00006537
-0.03226973 0.02486699 0.00110520
9.61294883 1.89295616 8.17334149
0.00002299 0.00035474 0.00019909
-0.00040677 -0.01587114 -0.00289632
-6.91577698 -9.37480903 -3.01526136
-0.00011067 0.00025977 -0.00006952
-0.02618158 0.01120126 -0.01445742
3.91677554 -12.46483621 -12.97738147
-0.00012332 0.00038605 -0.00024325
-0.00609106 0.00190538 -0.00671910
1.16745935 -4.60861666 -0.96515117
0.00013062 0.00010749 0.00018989
-0.00347093 0.04669364 -0.03609711
16.94412050 4.45884018 27.21379426
0.00035806 0.00023495 -0.00030657
0.01105319 0.02267826 -0.02640267
-9.60365495 6.09871663 -4.47246564
-0.00013851 -0.00010831 0.00009889
-0.01043715 0.00056138 0.01402323
-4.99295136 14.92801479 -9.19276260
0.00037731 0.00002248 -0.00021870
0.00604592 -0.00179857 0.01027757
3.04148882 12.17862087 -6.84433217
-0.00002872 0.00005079 -0.00012063
-0.01399105 -0.00342618 0.00439744
-4.23566534 11.87977903 -13.76491522
0.00024576 0.00017221 0.00000735
0.02339465 -0.04508619 -0.00371653
3.84802271 7.21915553 17.39886462
0.00011965 0.00010952 -0.00017662
-0.01067222 0.00218483 -0.01653577
-15.25104204 8.76248924 -9.07690831
-0.00044960 -0.00022508 0.00004470
-0.05136215 -0.00050094 0.00219814
3.74553540 9.25513207 0.48343057
-0.00003674 -0.00013416 0.00014775
-0.02569818 -0.02962087 -0.00222240
15.79746380 -24.01964454 -26.66249074
0.00026780 -0.00006131 0.00007438
-0.00503912 0.00177056 -0.00620826
5.77856652 4.20723645 0.12592797
-0.00013660 -0.00011945 0.00023421
0.00491088 -0.00357965 -0.00298681
17.11287387 -5.28593073 0.36764513
0.00030265 0.00000960 -0.00030300
0.00623872 -0.01560531 0.02994273
-4.60113667 2.49936604 -2.62461931
-0.00033922 -0.00024892 0.00038035
-0.05620472 -0.00351827 0.01870083
0.91255206 2.40220734 -11.87838277
-0.00020210 0.00020386 0.00002149
-0.04954010 -0.01523754 0.00681424
15.48464772 8.94518695 -7.44339415
-0.00039801 -0.00034193 0.00019930
0.03240523 -0.00482248 0.00306120
-6.33010768 0.95051957 12.75666274
-0.00043694 0.00016571 0.00020447
0.00985975 0.01705128 0.02036954
-3.49549734 -16.15167167 12.78550843
-0.00017943 -0.00022235 0.00040398
-0.00189866 -0.02908661 -0.00999971
7.04635526 -6.95962541 -6.09586891
0.00010036 0.00026619 -0.00046259
-0.00987342 0.01604003 0.01904266
-1.13250681 -11.55043820 1.55740580
0.00011016 -0.00014824 -0.00038820
0.00153253 -0.01868129 -0.01774089
-16.27654540 -1.77589527 5.23066168
0.00026220 -0.00003073 0.00043960
0.01028820 -0.00385111 -0.01366550
-9.09611271 3.58644296 -21.96182902
-0.00027092 -0.00041032 -0.00046522
0.00474763 0.02144745 0.02164639
2.18566437 1.24014706 -1.28563438
-0.00018368 -0.00017646 0.00007970
0.00617700 0.00797865 -0.05871699
12.43449215 8.55272872 3.82743585
0.00010479 -0.00013984 -0.00010894
0.02213387 -0.01050487 0.01574343
-7.32288644 -4.11073064 2.25918194
-0.00090470 -0.00026261 0.00063515
-0.01644070 -0.00912331 0.03367515
-9.96795200 -3.39502494 2.25294999
0.00034203 -0.00169213 -0.00050632
-0.02322889 0.01280896 -0.00822304
-16.69573366 5.91155948 6.98294842
0.00059302 0.00021026 0.00026869
-0.00162185 -0.01164883 -0.00872425
-17.15579774 3.60261031 5.18367154
-0.00060874 -0.00013785 -0.00014808
0.01097319 -0.00448275 -0.01538850
-16.19418016 0.78272476 0.54799517
-0.00132764 0.00006457 -0.00052345
-0.00033310 0.03659654 0.00634186
-17.14916838 -1.73732264 -0.28646360
0.00069360 0.00049814 0.00027492
0.04154997 0.01612788 0.01496810
1.72264480 -20.83503650 14.95725906
-0.00083700 0.00030539 -0.00024049
-0.01487851 -0.02421240 -0.00826196
3.39941004 -18.83143088 15.70329073
-0.00100701 -0.00004138 0.00025173
0.01931034 -0.01352073 0.00890734
8.30638990 14.28172508 -1.26544532
-0.00030546 -0.00042012 0.00031170
0.00086730 -0.00865405 0.00121151
7.49012779 16.49560099 0.37161379
-0.00054600 -0.00083586 -0.00036195
-0.00188344 0.00687152 0.00792392
-8.41608218 9.32704400 12.40490944
-0.00014040 0.00102134 -0.00003950
-0.01703916 0.00264637 -0.00638259
-10.60530374 11.19861044 11.60266256
-0.00061369 0.00045669 -0.00028499
0.00713207 -0.01132832 0.00552418
-9.81604259 0.10256211 -14.49416580
-0.00049632 0.00038935 -0.00062842
-0.04015213 0.02657499 0.00365190
-8.26164792 -2.01522130 -15.14151792
0.00038125 0.00045141 -0.00011676
0.00628629 -0.04276764 -0.03230718
-12.19287454 1.15099508 -7.05577741
0.00018617 0.00003753 -0.00008182
-0.02865509 -0.02322871 0.00886632
-10.81554457 3.65722269 -5.81584620
-0.00110445 0.00059099 0.00081272
-0.00180533 -0.02040618 -0.01973477
-1.91277091 -6.12351288 14.58601184
-0.00038321 -0.00056093 0.00023698
-0.01735977 -0.00787403 -0.00714635
-0.34698844 -5.68426225 17.02525673
-0.00023565 0.00022787 -0.00048627
0.00179626 -0.00158423 -0.00674248
-24.92095299 -0.54567571 -19.01881625
-0.00030392 0.00000830 -0.00078025
0.00595403 0.00509010 -0.00889691
-25.60832685 1.08565889 -21.54801656
0.00007772 -0.00069774 -0.00024879
0.00135433 -0.02356568 0.00604823
9.49775395 8.74454263 6.69815272
0.00021252 0.00008368 -0.00055534
0.00300684 -0.00056136 -0.01716813
10.10122273 7.79920711 9.18069625
0.00001810 0.00052722 0.00002649
0.00170130 -0.00316145 0.01044296
19.77335906 27.47621482 -4.07888889
-0.00018895 -0.00005880 0.00045708
0.00090211 -0.00040217 0.00250353
20.11822635 30.49878295 -4.30458968
0.00018895 0.00004327 -0.00014059
0.01045628 -0.01903726 -0.01193554
6.18303287 -0.59393178 -6.90572749
-0.00152617 -0.00042388 -0.00020054
0.01782064 -0.00935794 -0.00645591
7.18016530 -3.35377453 -7.21259940
0.00067076 0.00023986 0.00016091
0.00591502 0.01541500 0.00148890
-8.70811663 -2.24390580 12.19622327
-0.00035070 0.00094540 -0.00035143
-0.00314068 -0.01271645 0.00891966
-11.18206873 -2.98977591 13.47396483
0.00040344 -0.00045510 -0.00101670
0.02679595 -0.00854663 0.00576110
-1.40312816 -24.25352462 14.92448229
0.00054588 0.00063540 0.00039522
0.00346672 -0.01288125 0.00117279
-3.04457199 -22.15244996 13.66207199
0.00041602 0.00022106 0.00103968
0.00164710 -0.00718510 0.00554381
-12.29029829 -7.82994697 -7.04408504
-0.00035857 -0.00121254 -0.00002046
0.00131530 -0.00946692 -0.01656738
-10.30900026 -7.22177134 -9.37552438
0.00048031 0.00018077 -0.00002705
-0.02833974 -0.04428353 0.04906669
-16.22006919 -10.32336764 -15.79164892
0.00011178 0.00113336 -0.00065819
0.00310220 -0.00473110 0.00541524
-14.24687662 -8.11112397 -16.17465970
0.00000574 -0.00027846 -0.00009097
0.00428065 0.00125272 -0.00188011
17.00320536 12.71888098 5.37023931
0.00074716 0.00045348 -0.00017325
0.00003620 0.00140537 -0.00618600
17.36497114 14.08110064 2.74217247
-0.00007982 0.00072702 -0.00027555
0.00224857 0.01410302 -0.00011008
18.48995515 -4.22275309 -15.04496834
-0.00048749 -0.00030627 0.00004232
0.00958627 0.00277344 -0.00130108
21.25576205 -3.25060723 -15.35897159
-0.00088849 0.00119558 -0.00025436
0.01786137 0.03471365 -0.01554503
-1.51275719 7.30208161 -13.61418562
0.00104584 -0.00042963 0.00043829
-0.00359489 -0.01944877 0.00899443
0.12776179 6.96212879 -16.01621526
-0.00015393 0.00069542 -0.00105971
0.00498955 -0.02351915 -0.01561436
0.86453260 0.52411448 -15.51479487
-0.00035084 0.00017166 -0.00017133
0.00244431 -0.00531200 -0.00276543
2.53244668 -1.03605131 -17.37557935
-0.00099280 0.00021142 0.00034845
-0.01465757 0.00242956 0.01379031
12.10166735 22.81261408 -22.38544787
0.00053257 0.00020515 0.00093943
0.00143375 -0.04193356 -0.02083781
9.88034416 21.21063961 -23.11619051
0.00103154 0.00003796 -0.00007040
0.00196881 -0.01404685 -0.00689749
-9.85765530 16.17519331 -17.09937564
0.00034564 -0.00020893 -0.00020660
-0.02617540 -0.01183711 0.00906099
-10.80181856 15.15378424 -14.34460769
0.00010466 0.00096149 -0.00026151
-0.00601575 0.00035124 -0.02898624
2.99154307 18.54257137 11.38779190
0.00171701 -0.00026423 -0.00018484
-0.01062143 0.00873040 -0.00408894
4.91704625 17.95935292 9.19029512
-0.00015322 0.00061066 -0.00020732
-0.00319183 0.01048599 -0.01756245
-3.68994928 -10.41381822 -3.13746132
0.00044902 -0.00062218 -0.00107690
-0.04431467 0.01676685 0.00069174
-1.37720727 -11.33127524 -1.78336970
0.00074703 -0.00081000 -0.00015503
-0.00952440 0.00613941 -0.02783306
0.13714130 -7.01112666 4.82702712
-0.00030367 -0.00079617 0.00034542
0.01681789 -0.01117414 -0.00608267
2.81822440 -8.31039888 4.49710191
0.00040727 -0.00072086 0.00114577
0.02428588 0.00343426 0.01818993
8.26494266 2.00092871 9.37331669
-0.00114057 -0.00029515 -0.00100876
-0.00321656 -0.00104566 0.00487322
9.63177879 3.51007943 7.38545732
0.00039714 -0.00006590 0.00064520
-0.00017150 0.02070911 -0.00539947
-7.99435982 -8.83431055 -4.45801385
-0.00001599 0.00085014 -0.00034477
0.01727517 -0.00351808 0.01528963
-8.17948206 -10.17673724 -1.95474106
0.00137000 0.00010904 0.00008859
0.00019668 -0.00277533 0.00350428
4.90526224 -13.62476956 -11.94374833
-0.00006089 -0.00026124 0.00027649
-0.00621067 0.00007537 -0.00628729
2.36554418 -13.19367465 -13.69485134
0.00026189 0.00010288 -0.00061127
0.00795407 -0.00135498 0.01172889
1.34868923 -6.02614472 0.03108823
-0.00001160 0.00019010 0.00027013
0.00185632 -0.03833807 0.03300165
-0.15264706 -3.57021595 -0.24131103
-0.00008264 -0.00002318 -0.00029118
-0.00030950 -0.00818294 0.00338228
17.50735265 3.46573011 25.79563576
0.00000493 -0.00054114 -0.00029950
-0.00086202 0.00200180 0.00127085
16.52867030 3.25758662 28.42932727
0.00035361 -0.00017667 0.00066168
-0.01203858 -0.02625685 0.02621544
-10.84784716 7.34037318 -4.05790145
0.00041684 -0.00074773 0.00074586
-0.02109316 0.00620096 0.01492609
-8.57890680 7.18955279 -5.50539576
0.00064630 -0.00071667 0.00053473
0.02487749 0.00389204 -0.01424394
-6.39926770 16.07750254 -9.16217149
-0.00012481 -0.00035257 0.00006497
-0.00282331 0.00224763 -0.00161423
-4.79142807 14.25826827 -10.87778184
-0.00021658 0.00033927 -0.00057485
0.00113910 -0.00129779 -0.00513665
2.84717913 10.62545236 -5.82890392
-0.00048022 0.00008871 0.00108274
0.00217183 0.01567117 -0.01103895
1.43721178 13.12534073 -6.86338629
-0.00076143 0.00017311 -0.00052235
0.00983890 -0.00489755 0.00373618
-2.63461631 10.88344597 -14.24981587
-0.00013643 0.00053557 0.00017162
-0.02891147 0.02691453 0.00740484
-5.35251970 10.42813130 -13.39379740
0.00041359 0.00012528 0.00052288
0.00176245 0.01900163 -0.00123129
4.19598682 7.89504841 19.05297554
0.00099227 -0.00029613 0.00026948
0.00148898 -0.00019644 0.01130712
1.98887117 7.11134090 17.30223626
-0.00031256 -0.00040639 0.00029633
0.00065963 -0.00586755 0.00577672
-13.52930832 8.72217070 -8.74401653
0.00065724 0.00019346 -0.00112404
0.03871861 -0.00500281 0.01075017
-16.25379813 8.29624619 -7.57006523
-0.00070437 0.00059865 -0.00033825
0.01554687 0.00234009 -0.00718143
5.25657523 10.25251723 0.22952818
0.00074235 0.00124145 0.00030500
-0.00140568 0.01367854 0.01425072
2.19918397 9.66058241 1.48339350
-0.00084571 0.00171982 -0.00009607
0.03093002 0.00680859 -0.01809534
14.34117060 -23.87743684 -25.55012840
0.00004310 0.00038939 -0.00030746
-0.00779063 -0.00201146 0.00655327
14.96535689 -23.90950121 -28.30695207
-0.00033487 -0.00107541 -0.00090956
0.00561555 -0.00414593 0.00348778
4.52798876 3.42250178 -0.94453930
-0.00104480 -0.00022996 0.00021918
-0.00143982 -0.00480468 -0.00107770
4.92335031 5.78784024 0.37626888
0.00080862 0.00013406 0.00108980
0.00331543 0.01889164 0.01215822
17.08124064 -3.69730917 -0.42290878
0.00092924 0.00018057 -0.00004282
0.00731618 0.02287645 -0.01897083
16.58828370 -6.58603238 -0.75873334
-0.00078261 0.00085696 0.00031624
-0.01092834 -0.00732288 -0.02062609
-6.31005204 2.88920428 -1.64866507
-0.00059656 -0.00047806 -0.00040887
0.05073243 -0.00338715 -0.02507993
-5.21163983 0.97104255 -3.62998739
0.00032912 0.00095241 -0.00057749
0.01384544 0.01561958 0.01155193
2.53111400 2.90652787 -11.32029703
-0.00063636 -0.00035015 -0.00007430
0.01302484 0.00111919 0.00932321
-0.17259529 1.63671631 -10.48159266
0.00131082 0.00011427 -0.00008300
0.03906925 0.01075368 -0.02975528
17.02246023 7.76937353 -7.87327970
0.00093640 0.00122683 0.00080158
-0.02300240 0.01762069 -0.00109919
16.21127574 10.60943291 -7.13907050
-0.00004695 -0.00006603 0.00042371
-0.00446759 -0.00781823 0.00022283
-6.59553616 0.39334317 11.06633029
-0.00076236 -0.00006719 -0.00028376
-0.00983476 0.00223260 -0.02108858
-7.85959370 1.83042600 13.40842303
0.00061736 -0.00098110 0.00084328
-0.00176535 -0.01120512 -0.00274927
-2.19741251 -16.78716388 13.92699999
-0.00066553 -0.00002954 -0.00031354
0.00183713 0.01675692 0.00500076
-4.50604312 -17.69813100 12.57584924
0.00012903 0.00158974 -0.00026656
-0.00013528 0.00839062 -0.00587315
6.92720488 -6.31796740 -4.30062982
-0.00082220 0.00005827 -0.00049633
0.00530097 -0.00600905 -0.01893709
5.53128133 -8.02950664 -6.22804617
0.00004864 0.00083436 0.00023157
0.00246646 -0.00144407 0.00219141
-2.79459247 -11.52234721 2.27749415
-0.00004936 0.00032766 -0.00022418
-0.01467218 -0.00265853 0.00499500
-0.23850374 -10.28907856 2.55137804
-0.00018200 0.00042028 -0.00090320
0.00579790 0.01347548 0.00353591
-14.71930466 -0.94276628 5.71132632
0.00100076 0.00044644 0.00058706
-0.00490556 0.00287919 0.01134308
-15.95564343 -1.84719920 3.35361981
0.00040373 -0.00038135 -0.00016991
-0.00626457 0.00189925 0.01488411
-9.56585400 4.84041691 -23.22900841
-0.00000587 -0.00011543 -0.00079112
-0.00091100 -0.00352555 -0.00261659
-8.98544929 4.59482877 -20.36942932
0.00010423 -0.00010007 0.00040030
-0.00115384 -0.01188348 -0.01692935
1.74117796 1.22670661 -3.12494942
-0.00007463 -0.00050018 -0.00094075
0.02420554 0.00464978 0.01845739
0.71980691 0.46713782 -0.75128137
0.00009653 -0.00022521 -0.00004960
-0.04143822 -0.01967967 0.03519005
13.92700052 9.58959159 3.65053762
0.00114096 -0.00035123 -0.00053775
0.00270693 0.00019233 0.00516604
11.40453174 9.23450362 2.55056045
-0.00019421 -0.00115569 0.00009984
-0.02567532 0.01041738 -0.02633090
5.44314235 -9.14806718 -10.59476047
-0.00007364 -0.00023616 0.00010796
-0.00011813 0.00441057 -0.00540873
-13.02572508 10.42121015 21.20767230
0.00003667 -0.00003240 0.00012322
0.00811402 0.00076326 -0.00353978
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06801247
0.31563620
420.56940558
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1873228772
ExchangeOperator: bisection time: 1.966 s
total exchange = -52.3894717698 (a.u.)
total exchange computation time: 3.2951579094 s
-154.2789578240
-931.38403832
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1873228772
ExchangeOperator: bisection time: 1.969 s
total exchange = -52.3888980419 (a.u.)
total exchange computation time: 3.2961099148 s
-154.2843671608
Anderson extrapolation: theta=1.3594585461 (1.3594585461)
-931.38426835
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1873228772
ExchangeOperator: bisection time: 1.969 s
total exchange = -52.3880075441 (a.u.)
total exchange computation time: 3.2963480949 s
-154.2926026357
Anderson extrapolation: theta=0.0560903869 (0.0560903869)
-931.38440782
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1873228772
ExchangeOperator: bisection time: 1.966 s
total exchange = -52.3878715095 (a.u.)
total exchange computation time: 3.2950139046 s
-154.2938025033
Anderson extrapolation: theta=2.0423553728 (2.0000000000)
-931.38441359
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1873228772
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.3875766983 (a.u.)
total exchange computation time: 3.2971038818 s
-154.2963595078
Anderson extrapolation: theta=0.2542436258 (0.2542436258)
-931.38441997
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1873228772
ExchangeOperator: bisection time: 1.969 s
total exchange = -52.3874991878 (a.u.)
total exchange computation time: 3.2957000732 s
-154.2969936082
Anderson extrapolation: theta=1.6904142542 (1.6904142542)
-931.38442126
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1873228772
ExchangeOperator: bisection time: 1.965 s
total exchange = -52.3873922289 (a.u.)
total exchange computation time: 3.2950139046 s
-154.2978244868
Anderson extrapolation: theta=0.3107523675 (0.3107523675)
-931.38442264
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1873228772
ExchangeOperator: bisection time: 1.967 s
total exchange = -52.3873831804 (a.u.)
total exchange computation time: 3.2958929539 s
-154.2978494865
Anderson extrapolation: theta=1.1930994011 (1.1930994011)
-931.38442298
238.221279 31.861667 246.119350
-142.201097 490.005970 -805.159122
96.020182 521.867637 -559.039773
770.773101
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1873228772
ExchangeOperator: bisection time: 1.970 s
total exchange = -52.3873900124 (a.u.)
total exchange computation time: 3.2960460186 s
679.07551417
-1084.06834237
89.76209880
-388.90304786
-174.86325593
78.52793842
551.60419304
0.00000000
-931.38442319
-8.79579473 -3.89798656 3.53389987
0.00006874 -0.00017931 0.00042623
0.04338968 0.00244143 -0.02543278
-17.85278377 4.52182957 6.53964132
0.00007084 -0.00037693 -0.00022194
-0.00630329 0.02505499 0.02695217
-15.58527954 -0.89382905 0.53422531
0.00017183 -0.00002428 -0.00022903
-0.03699060 -0.04944615 -0.02988716
3.39048162 -20.69819558 15.63353340
-0.00026717 0.00009706 -0.00019029
-0.00957075 0.03730261 0.00059680
7.51550502 15.94788049 -1.33991169
0.00029298 0.00023968 0.00004441
0.00363025 -0.00502166 -0.00617241
-9.80462383 9.59329392 11.12710316
-0.00009079 -0.00037203 -0.00006374
-0.00183410 0.00597465 -0.00618340
-8.20536359 -0.54468853 -14.20867116
-0.00024937 0.00017970 -0.00021772
0.03711721 0.02020140 0.03226137
-10.83146351 2.26765547 -7.12118723
0.00006624 0.00024360 0.00031262
0.03829464 0.04078111 0.00317113
-0.24640984 -5.74760628 15.18783499
-0.00011762 0.00002387 0.00038741
0.00921942 0.00472614 0.01093483
-25.50456561 -0.62950045 -20.75797608
-0.00038363 -0.00012712 0.00020252
-0.00095769 0.01532661 -0.01177611
8.86321885 7.50394776 7.85448657
-0.00005544 -0.00006044 0.00004605
0.00312009 -0.00006851 0.00091271
20.77190357 28.75842509 -4.95039312
0.00008882 -0.00012294 -0.00027386
-0.00526988 0.00702481 0.01331700
7.76587699 -1.56751163 -7.21435594
0.00007155 -0.00002207 -0.00009260
-0.03071965 -0.00457636 0.00347667
-9.35300816 -3.52966085 13.38322355
0.00023501 0.00000365 0.00050989
-0.02340711 0.02371723 -0.02379387
-1.30810808 -22.76464598 13.90312454
0.00008041 -0.00002776 0.00013774
-0.00904240 0.02488658 -0.00554724
-11.08689617 -8.68947024 -8.23562144
-0.00001614 0.00014111 0.00032509
0.02860159 0.05528831 -0.03517689
-15.91751561 -8.55275533 -15.52618542
0.00006376 -0.00016188 0.00007351
-0.01067590 0.01191514 0.00050860
16.61316186 12.66514057 3.55562553
0.00037035 0.00012164 0.00017867
-0.00257874 -0.01393509 0.00345293
20.25081914 -4.57889041 -14.73586870
-0.00024024 -0.00013045 0.00002446
-0.02274000 -0.03551804 0.00970681
-0.53556861 8.14111922 -14.87024706
0.00035112 0.00000094 -0.00012011
-0.00605703 0.03468386 0.01076233
0.74913236 -0.78095933 -16.82617605
-0.00007994 0.00030746 -0.00033902
0.00454011 0.00979713 0.00146849
11.72673295 21.00989105 -23.15940743
0.00026836 -0.00022383 -0.00014036
0.00507121 0.05209057 0.02960804
-11.28394745 15.22382695 -16.16015746
-0.00003661 0.00011295 -0.00038536
0.02589700 0.00376400 0.02575008
4.41105981 17.57990912 10.85995329
0.00018538 0.00024548 -0.00029814
0.02298399 -0.02989748 0.01477166
-2.13206416 -11.09907754 -3.56536565
-0.00027574 0.00010550 0.00015704
0.06684254 -0.02377212 0.02960662
1.22105177 -8.09269462 3.73103310
-0.00000341 -0.00020223 0.00006681
-0.02491336 0.02361335 0.00446124
9.61329205 1.89821604 8.17631666
0.00002270 0.00034552 0.00019817
-0.00069584 -0.01997244 -0.00068610
-6.91753799 -9.37086928 -3.01635999
-0.00012296 0.00026644 -0.00007828
-0.02161504 0.01472100 -0.01958071
3.91490222 -12.45903808 -12.98105615
-0.00012565 0.00038616 -0.00024592
-0.00296192 -0.00147309 -0.00364502
1.16940526 -4.60682424 -0.96244201
0.00012903 0.00013119 0.00017136
-0.00271840 0.04547242 -0.03595641
16.94953401 4.46245193 27.20909385
0.00036331 0.00024457 -0.00031886
0.00935770 0.01473726 -0.02138136
-9.60577289 6.09709414 -4.47092820
-0.00014310 -0.00010916 0.00010611
-0.00738956 -0.00386747 0.01403555
-4.98726837 14.92834512 -9.19600352
0.00038007 0.00002165 -0.00021378
0.00466451 -0.00144959 0.00886283
3.04100410 12.17936952 -6.84612469
-0.00003708 0.00004874 -0.00011774
-0.01852726 -0.00456494 0.00685207
-4.23188867 11.88218830 -13.76481934
0.00025715 0.00014941 0.00000570
0.02089343 -0.04357178 -0.00270358
3.84977633 7.22080683 17.39615160
0.00011369 0.00011087 -0.00018440
-0.01251207 0.00304189 -0.01374441
-15.25798419 8.75911106 -9.07622930
-0.00047347 -0.00022510 0.00004534
-0.04146220 0.00044955 0.00029130
3.74488519 9.25300537 0.48563831
-0.00004883 -0.00014731 0.00014716
-0.02132573 -0.02148455 -0.00008192
15.80146138 -24.02055734 -26.66139904
0.00026437 -0.00006038 0.00006941
-0.00831246 0.00183241 -0.01310387
5.77653639 4.20543094 0.12942961
-0.00013476 -0.00012203 0.00023196
0.00226616 -0.00646557 -0.00574887
17.11743771 -5.28584697 0.36321560
0.00030621 0.00000261 -0.00028683
0.00759950 -0.01155341 0.03295775
-4.60644183 2.49561866 -2.61884194
-0.00036756 -0.00025001 0.00038999
-0.05399849 -0.00071668 0.01879133
0.90932950 2.40520645 -11.87803414
-0.00022779 0.00019616 0.00002402
-0.05038782 -0.01471082 0.00302546
15.47880263 8.94003940 -7.44039279
-0.00038046 -0.00034341 0.00020108
0.03580963 -0.00091941 0.00383152
-6.33662371 0.95307098 12.75980837
-0.00043044 0.00017306 0.00021307
0.01542250 0.01152496 0.01308834
-3.49819618 -16.15511915 12.79152948
-0.00017983 -0.00023432 0.00039816
0.00034270 -0.01745820 -0.01261158
7.04782252 -6.95557072 -6.10273426
0.00009537 0.00027461 -0.00045252
-0.00953223 0.01670555 0.02009750
-1.13084856 -11.55273390 1.55151437
0.00011050 -0.00015779 -0.00039711
-0.00019825 -0.01845082 -0.01692402
-16.27257275 -1.77637102 5.23720290
0.00026893 -0.00003203 0.00043228
0.01587707 -0.00121303 -0.01477948
-9.10015826 3.58037090 -21.96872384
-0.00026848 -0.00039829 -0.00045329
0.00477017 0.02532906 0.02474783
2.18293293 1.23753099 -1.28466539
-0.00018039 -0.00017216 0.00004808
0.00662941 0.00871885 -0.06422805
12.43614939 8.55059059 3.82586254
0.00011778 -0.00014486 -0.00010035
0.02839455 -0.00902585 0.01765271
-7.33696075 -4.11494941 2.26974103
-0.00096278 -0.00029988 0.00076861
-0.01198951 -0.00911810 0.03165582
-9.96353338 -3.42001438 2.24510325
0.00024589 -0.00163970 -0.00053801
-0.02383051 0.01285355 -0.00728889
-16.68688808 5.91435636 6.98671144
0.00057951 0.00015368 0.00022950
-0.00498823 -0.01604437 -0.01045903
-17.16459265 3.60040517 5.18097873
-0.00056019 -0.00015962 -0.00021693
0.01279333 -0.00617473 -0.01831413
-16.21410489 0.78481473 0.54033769
-0.00132313 0.00020438 -0.00049628
0.00253679 0.03184306 0.00695994
-17.13749123 -1.72935635 -0.28188118
0.00085673 0.00055725 0.00033176
0.03830446 0.01280929 0.01285932
1.70963392 -20.83119757 14.95339858
-0.00088977 0.00020611 -0.00027093
-0.01095509 -0.02438555 -0.00664103
3.38489668 -18.83246589 15.70733969
-0.00092653 -0.00009398 0.00028824
0.02008202 -0.01222699 0.00896375
8.30183451 14.27515807 -1.26073277
-0.00030379 -0.00045091 0.00031521
-0.00004724 -0.00641677 0.00050756
7.48188013 16.48327368 0.36642735
-0.00055467 -0.00080338 -0.00031785
-0.00236110 0.00902780 0.01366170
-8.41871037 9.34244519 12.40412137
-0.00020814 0.00102953 -0.00006436
-0.01611855 0.00136229 -0.00578476
-10.61429060 11.20511369 11.59855705
-0.00057987 0.00040065 -0.00026549
0.00942255 -0.01610255 0.00401701
-9.82471778 0.10921670 -14.50348016
-0.00065262 0.00049393 -0.00061246
-0.03635670 0.02461876 0.00416033
-8.25573655 -2.00976074 -15.14425926
0.00040651 0.00027360 -0.00025098
0.00607862 -0.04427098 -0.03339506
-12.19096002 1.15084625 -7.05673300
0.00007013 -0.00005657 -0.00004608
-0.02814737 -0.02283547 0.00863025
-10.83216660 3.66546229 -5.80426012
-0.00111014 0.00050307 0.00072719
-0.00098249 -0.02263539 -0.02213379
-1.91905097 -6.13216807 14.58934758
-0.00044730 -0.00059104 0.00020972
-0.01401384 -0.00686520 -0.00619619
-0.35046809 -5.68089269 17.01775608
-0.00022874 0.00022162 -0.00050076
0.00158639 -0.00147516 -0.00035191
-24.92532941 -0.54539525 -19.03079264
-0.00027532 0.00002961 -0.00080348
0.00804742 0.00533950 -0.00247198
-25.60711960 1.07447063 -21.55156314
0.00008264 -0.00078938 -0.00022581
0.00105634 -0.02129189 0.00520408
9.50103393 8.74578063 6.68929659
0.00022142 0.00007464 -0.00061910
0.00134632 -0.00386596 -0.01404518
10.10154630 7.80701848 9.18141362
0.00002374 0.00051355 0.00006764
0.00106216 -0.00352959 0.00970192
19.77055242 27.47532044 -4.07195596
-0.00018165 -0.00005633 0.00046396
0.00267380 0.00161460 0.00086436
20.12138096 30.49884867 -4.30706421
0.00023205 -0.00003508 -0.00018989
0.01064166 -0.01931723 -0.01220062
6.16068640 -0.60057673 -6.90893347
-0.00144118 -0.00046745 -0.00022889
0.02378432 -0.01197145 -0.00742028
7.19040796 -3.34970432 -7.21014019
0.00069361 0.00029699 0.00016681
0.00526903 0.01255111 0.00140035
-8.71347333 -2.23011445 12.19122511
-0.00036550 0.00088417 -0.00030691
-0.00410737 -0.01725849 0.01287301
-11.17519597 -2.99686436 13.45889094
0.00050722 -0.00048967 -0.00099059
0.02400394 -0.00837540 0.00701629
-1.39483370 -24.24438838 14.93044648
0.00055945 0.00057723 0.00040378
0.00317363 -0.01559101 0.00301943
-3.03828126 -22.14935418 13.67783702
0.00041843 0.00019318 0.00106100
-0.00046337 -0.00646339 0.00489454
-12.29563650 -7.84842514 -7.04489956
-0.00035676 -0.00124544 -0.00008410
-0.00042882 -0.00663804 -0.01458480
-10.30266405 -7.22041673 -9.37442664
0.00036201 -0.00000083 0.00017593
-0.02956958 -0.04461351 0.05029561
-16.21829742 -10.30651222 -15.80135581
0.00012088 0.00109494 -0.00063853
0.00135304 -0.01407766 0.00420609
-14.24665932 -8.11526244 -16.17608184
0.00002315 -0.00027226 -0.00009854
0.00424115 0.00178106 -0.00182599
17.01441393 12.72572618 5.36745107
0.00074751 0.00045903 -0.00019507
0.00013328 0.00131425 -0.00449533
17.36384278 14.09243817 2.73803582
-0.00007417 0.00077808 -0.00027264
0.00051679 0.01088814 0.00153628
18.48293648 -4.22726223 -15.04437342
-0.00044633 -0.00029625 0.00003788
0.01056264 0.00213544 -0.00086990
21.24298198 -3.23160976 -15.36326333
-0.00082250 0.00132599 -0.00031288
0.01444040 0.02912194 -0.01309884
-1.49717980 7.29504120 -13.60733563
0.00103384 -0.00050729 0.00047124
-0.00227637 -0.01856573 0.00713514
0.12560572 6.97183933 -16.03258944
-0.00013422 0.00059935 -0.00112312
0.00465918 -0.02350777 -0.01542346
0.85934489 0.52652656 -15.51744953
-0.00034085 0.00015009 -0.00018285
0.00244856 -0.00524563 -0.00287332
2.51710546 -1.03280551 -17.36993006
-0.00103965 0.00021916 0.00040000
-0.00827170 0.00135752 0.01144385
12.10969980 22.81440631 -22.37199492
0.00053720 0.00002944 0.00085096
0.00083219 -0.04407470 -0.02246943
9.89587755 21.21077850 -23.11745785
0.00102925 -0.00001849 -0.00009885
-0.00308658 -0.01358513 -0.00702741
-9.85327276 16.17169656 -17.10219698
0.00023815 -0.00025720 -0.00017019
-0.02644125 -0.01178794 0.00876374
-10.80043296 15.16821739 -14.34941853
0.00007905 0.00096218 -0.00038049
-0.00652264 -0.00001497 -0.02925602
3.01697274 18.53887542 11.38489395
0.00165273 -0.00021432 -0.00019306
-0.02084455 0.01570132 0.00006635
4.91465011 17.96883415 9.18664710
-0.00016533 0.00065333 -0.00027999
-0.00273284 0.01040148 -0.01800786
-3.68457197 -10.42263708 -3.15359365
0.00024884 -0.00054475 -0.00106623
-0.05367204 0.02113142 0.00453096
-1.36629362 -11.34323708 -1.78654803
0.00070371 -0.00078234 -0.00026951
-0.01168498 0.00739850 -0.02820481
0.13310166 -7.02341160 4.83202197
-0.00023524 -0.00084090 0.00032073
0.01667463 -0.01072074 -0.00599907
2.82507771 -8.32110659 4.51484593
0.00049157 -0.00070487 0.00121281
0.01697801 0.00439435 0.01462665
8.24773561 1.99646939 9.35833456
-0.00115311 -0.00029947 -0.00098959
-0.00292494 -0.00106699 0.00451186
9.63773067 3.50972550 7.39496982
0.00039648 0.00002703 0.00061921
-0.00015267 0.02478177 -0.00731955
-7.99407030 -8.82166621 -4.46271693
0.00005506 0.00083336 -0.00027773
0.01750542 -0.00469552 0.01753019
-8.15892610 -10.17518668 -1.95330480
0.00136092 0.00009281 0.00010841
-0.00463847 -0.00516842 0.00619884
4.90415852 -13.62868584 -11.93979360
-0.00009113 -0.00025387 0.00024540
-0.00858914 0.00353248 -0.00893484
2.36971625 -13.19217292 -13.70366094
0.00029303 0.00009718 -0.00056397
0.00728975 -0.00143710 0.01142565
1.34857205 -6.02446801 0.03615141
-0.00000436 0.00003506 0.00040401
0.00169057 -0.03755638 0.03253562
-0.15389616 -3.57081442 -0.24557511
-0.00008509 -0.00005577 -0.00027653
-0.00088988 -0.00776791 0.00379051
17.50740023 3.45767439 25.79118223
0.00000003 -0.00053060 -0.00029079
-0.00153712 0.00315394 0.00299411
16.53360557 3.25413191 28.44005581
0.00030932 -0.00027010 0.00075485
-0.00964073 -0.01947682 0.01939324
-10.84224090 7.32934717 -4.04625617
0.00032461 -0.00071423 0.00080794
-0.02405335 0.01020186 0.01546517
-8.56844992 7.17892195 -5.49781134
0.00074702 -0.00069912 0.00047591
0.02442483 0.00470019 -0.01454773
-6.40122639 16.07228290 -9.16124647
-0.00013410 -0.00034449 0.00005897
-0.00172106 0.00170823 -0.00131845
-4.79464184 14.26331753 -10.88656194
-0.00021131 0.00033437 -0.00059340
0.00143971 -0.00109808 -0.00394528
2.84004237 10.62726329 -5.81300106
-0.00046983 0.00015892 0.00103261
0.00291667 0.01869551 -0.01350284
1.42609178 13.12778732 -6.87110700
-0.00071327 0.00014933 -0.00050683
0.01373918 -0.00674256 0.00385789
-2.63754873 10.89230425 -14.24701473
-0.00024921 0.00064211 0.00020046
-0.02629412 0.02523919 0.00671325
-5.34626192 10.43059282 -13.38599186
0.00042077 0.00020300 0.00051736
0.00175318 0.01904335 -0.00147269
4.21091655 7.89060051 19.05736429
0.00099597 -0.00029957 0.00030926
0.00032218 -0.00149078 0.00816488
1.98420296 7.10506528 17.30685826
-0.00030415 -0.00042931 0.00032087
0.00345894 -0.00535229 0.00623582
-13.51826325 8.72491929 -8.76054767
0.00079609 0.00017280 -0.00108209
0.02925086 -0.00511030 0.00978455
-16.26388722 8.30529766 -7.57535903
-0.00064136 0.00060619 -0.00036197
0.01529603 0.00135232 -0.00442948
5.26766736 10.27155816 0.23453992
0.00072070 0.00128504 0.00036414
-0.00919041 0.00766051 0.01469609
2.18744615 9.68658841 1.48139795
-0.00071156 0.00174257 -0.00017542
0.03473668 0.00432642 -0.02074907
14.34157842 -23.87165763 -25.55453946
0.00001144 0.00038131 -0.00028037
-0.00771098 -0.00194206 0.00670752
14.96050599 -23.92575946 -28.32048866
-0.00030527 -0.00109304 -0.00088166
0.00887237 -0.00448282 0.01017243
4.51227262 3.41890520 -0.94128469
-0.00104442 -0.00024319 0.00022116
0.00162606 -0.00167150 0.00204660
4.93558120 5.79043011 0.39298839
0.00082063 0.00021114 0.00113850
0.00256432 0.01883652 0.01168310
17.09540348 -3.69389958 -0.42413237
0.00095859 0.00027250 -0.00011885
0.00705044 0.02212326 -0.01824524
16.57620964 -6.57340240 -0.75462172
-0.00082993 0.00081942 0.00022485
-0.01223500 -0.01104987 -0.02411173
-6.31744584 2.88192963 -1.65556672
-0.00039107 -0.00049137 -0.00050907
0.04985411 -0.00312879 -0.02396607
-5.20627878 0.98580734 -3.63829583
0.00038317 0.00101025 -0.00053287
0.01261106 0.01269339 0.01029288
2.52196765 2.90130991 -11.32112588
-0.00057327 -0.00034237 -0.00003469
0.01786217 0.00268753 0.01006757
-0.15173578 1.63875992 -10.48374951
0.00146168 0.00015403 -0.00019847
0.03477965 0.00870996 -0.02676457
17.03580142 7.78831586 -7.86128963
0.00083910 0.00129518 0.00079607
-0.02462620 0.01583876 -0.00160055
16.21043456 10.60820295 -7.13270801
-0.00006941 -0.00010187 0.00042437
-0.00652735 -0.00972663 0.00010149
-6.60727287 0.39240379 11.06142764
-0.00080127 -0.00005429 -0.00035971
-0.00921248 0.00408224 -0.01608631
-7.85038736 1.81536609 13.42098798
0.00059811 -0.00101902 0.00083602
-0.00765789 -0.00735490 -0.00080545
-2.20733910 -16.78709348 13.92245010
-0.00064933 0.00003396 -0.00028588
0.00609274 0.01432729 0.00853842
-4.50411184 -17.67402777 12.57167082
0.00011607 0.00160551 -0.00029278
-0.00620630 -0.00067083 -0.00696113
6.91503434 -6.31727743 -4.30865509
-0.00079793 0.00003511 -0.00057251
0.00657803 -0.00532985 -0.01835023
5.53208658 -8.01703546 -6.22450551
0.00005509 0.00082495 0.00023779
0.00068623 -0.00316060 0.00085468
-2.79578252 -11.51751375 2.27428455
-0.00010610 0.00031661 -0.00020543
-0.01310182 -0.00275169 0.00418116
-0.24105602 -10.28236149 2.53793832
-0.00015785 0.00047546 -0.00088839
0.00602401 0.01353675 0.00371601
-14.70444355 -0.93598146 5.72047979
0.00096982 0.00045240 0.00062891
-0.01024263 0.00003665 0.00914458
-15.94977948 -1.85286118 3.35152720
0.00037763 -0.00037221 -0.00010260
-0.00651272 0.00257335 0.01806450
-9.56596992 4.83857741 -23.24095532
-0.00000842 -0.00013301 -0.00079798
-0.00033914 -0.00508139 -0.00074379
-8.98392127 4.59296353 -20.36394363
0.00009847 -0.00015351 0.00032158
-0.00166358 -0.01427568 -0.02160127
1.74080022 1.21934634 -3.13849509
0.00002621 -0.00048131 -0.00085452
0.02515914 0.00458745 0.02375364
0.71998510 0.46315669 -0.75094697
-0.00007506 -0.00030691 0.00009438
-0.04255773 -0.02031288 0.03528882
13.94419784 9.58432899 3.64262964
0.00114057 -0.00035630 -0.00051673
-0.00289550 -0.00267127 0.00512520
11.40083187 9.21748748 2.55125121
-0.00030048 -0.00111027 -0.00001152
-0.02634489 0.01181576 -0.02818086
5.44203739 -9.15159770 -10.59315552
-0.00007370 -0.00023456 0.00010603
-0.00020266 0.00449293 -0.00541089
-13.02516089 10.42072553 21.20951449
0.00003852 -0.00003222 0.00012242
0.00778088 0.00079389 -0.00337364
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06814641
0.31627678
421.42295291
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864142780
ExchangeOperator: bisection time: 1.965 s
total exchange = -52.3857891839 (a.u.)
total exchange computation time: 3.2919328213 s
-154.2676484018
-931.38432749
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864142780
ExchangeOperator: bisection time: 1.966 s
total exchange = -52.3852824974 (a.u.)
total exchange computation time: 3.2923262119 s
-154.2726329407
Anderson extrapolation: theta=1.3536909386 (1.3536909386)
-931.38455422
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864142780
ExchangeOperator: bisection time: 1.970 s
total exchange = -52.3845066018 (a.u.)
total exchange computation time: 3.2910358906 s
-154.2801764365
Anderson extrapolation: theta=0.0538323334 (0.0538323334)
-931.38469046
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864142780
ExchangeOperator: bisection time: 1.966 s
total exchange = -52.3843954932 (a.u.)
total exchange computation time: 3.2922620773 s
-154.2812505054
Anderson extrapolation: theta=1.9760710384 (1.9760710384)
-931.38469569
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864142780
ExchangeOperator: bisection time: 1.964 s
total exchange = -52.3841613261 (a.u.)
total exchange computation time: 3.2947390079 s
-154.2835011726
Anderson extrapolation: theta=0.2260783132 (0.2260783132)
-931.38470118
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864142780
ExchangeOperator: bisection time: 1.967 s
total exchange = -52.3841099526 (a.u.)
total exchange computation time: 3.2929430008 s
-154.2839891095
Anderson extrapolation: theta=1.8527033221 (1.8527033221)
-931.38470220
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864142780
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.3840390060 (a.u.)
total exchange computation time: 3.2926228046 s
-154.2846622580
Anderson extrapolation: theta=0.2814968035 (0.2814968035)
-931.38470336
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864142780
ExchangeOperator: bisection time: 1.969 s
total exchange = -52.3840421050 (a.u.)
total exchange computation time: 3.2938709259 s
-154.2846342880
Anderson extrapolation: theta=1.3115667741 (1.3115667741)
-931.38470363
238.241415 31.919727 246.095069
-142.201984 490.034210 -805.199896
96.039432 521.953937 -559.104828
770.881115
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864142780
ExchangeOperator: bisection time: 1.967 s
total exchange = -52.3840618127 (a.u.)
total exchange computation time: 3.3432440758 s
679.01998280
-1083.95632908
89.77096838
-388.98049972
-174.85476438
78.46540880
551.60419304
0.00000000
-931.38470381
-8.79459628 -3.90066676 3.54019521
0.00008984 -0.00017776 0.00041323
0.03867775 0.00355837 -0.02511069
-17.85174548 4.51627222 6.53641623
0.00006803 -0.00036277 -0.00020710
-0.00460952 0.03003153 0.03073982
-15.58284478 -0.89438391 0.53067456
0.00015310 -0.00004733 -0.00024371
-0.03584367 -0.04022284 -0.02717815
3.38643709 -20.69659580 15.63068136
-0.00027335 0.00011577 -0.00019040
-0.01445267 0.03546825 -0.00102040
7.51991369 15.95145629 -1.33926936
0.00029520 0.00023599 0.00003997
0.00502079 -0.00930226 -0.01108129
-9.80599279 9.58773658 11.12612316
-0.00009259 -0.00036752 -0.00006671
-0.00516384 0.01153209 -0.00535076
-8.20896096 -0.54191510 -14.21181244
-0.00023156 0.00019058 -0.00020130
0.03215516 0.02211753 0.03157199
-10.83032216 2.27146673 -7.11648569
0.00008518 0.00026449 0.00031478
0.03533435 0.04047250 0.00524203
-0.24813861 -5.74723000 15.19368826
-0.00011379 0.00002596 0.00039097
0.00567992 0.00341961 0.00292790
-25.51032373 -0.63134809 -20.75498366
-0.00038466 -0.00012000 0.00019505
-0.00306201 0.01233752 -0.01727191
8.86239925 7.50304088 7.85518081
-0.00005322 -0.00005956 0.00004591
0.00553361 0.00348111 -0.00144983
20.77321557 28.75660809 -4.95444964
0.00008566 -0.00011977 -0.00026652
-0.00701361 0.00529027 0.01522141
7.76683176 -1.56786030 -7.21573150
0.00005464 -0.00002295 -0.00009060
-0.03503663 0.00113609 0.00430293
-9.34957331 -3.52951459 13.39078012
0.00022403 0.00001674 0.00049645
-0.01929912 0.02716536 -0.02848480
-1.30693688 -22.76496632 13.90516931
0.00007641 -0.00001458 0.00013461
-0.00650202 0.02633050 -0.00662983
-11.08702794 -8.68714033 -8.23088075
-0.00000065 0.00016867 0.00030627
0.03164300 0.05188119 -0.03802185
-15.91660036 -8.55513753 -15.52508075
0.00005880 -0.00015348 0.00007407
-0.00861386 0.02073253 0.00164916
16.61870721 12.66691140 3.55831893
0.00036946 0.00011537 0.00017946
-0.00089508 -0.01042759 -0.00039316
20.24712782 -4.58098414 -14.73546440
-0.00025103 -0.00014690 0.00002859
-0.01923087 -0.02844754 0.00635283
-0.53032523 8.14126709 -14.87200723
0.00034773 0.00001829 -0.00011431
-0.00711079 0.03277144 0.01180024
0.74795085 -0.77630964 -16.83125562
-0.00007944 0.00031277 -0.00033763
-0.00262699 0.01084122 0.00393032
11.73077794 21.00673457 -23.16139863
0.00027244 -0.00019685 -0.00012481
0.01078525 0.05280303 0.03084512
-11.28439674 15.22553570 -16.16583857
-0.00002335 0.00011480 -0.00037204
0.02566638 0.00344953 0.02606686
4.41392923 17.58347603 10.85553822
0.00019971 0.00022839 -0.00029170
0.03271764 -0.03656176 0.01027489
-2.13594239 -11.09758667 -3.56289579
-0.00023899 0.00009210 0.00017141
0.07606611 -0.02836969 0.02626238
1.22090458 -8.09563696 3.73205240
-0.00001415 -0.00019051 0.00006996
-0.01684894 0.02196720 0.00781115
9.61362990 1.90332184 8.17928654
0.00002218 0.00033441 0.00019832
-0.00134575 -0.02325565 0.00129408
-6.91946576 -9.36681596 -3.01760968
-0.00013282 0.00027486 -0.00008952
-0.01674832 0.01805357 -0.02412384
3.91300604 -12.45325132 -12.98475894
-0.00012638 0.00038463 -0.00024704
0.00012762 -0.00448031 -0.00072262
1.17133020 -4.60468102 -0.96001024
0.00012791 0.00015374 0.00015325
-0.00162357 0.04221088 -0.03448619
16.95501972 4.46617737 27.20422849
0.00036764 0.00025003 -0.00032838
0.00748093 0.00650192 -0.01565013
-9.60794784 6.09544181 -4.46928247
-0.00014612 -0.00011204 0.00011323
-0.00435103 -0.00731291 0.01366652
-4.98154940 14.92866427 -9.19917607
0.00038208 0.00002099 -0.00020963
0.00318667 -0.00110826 0.00729524
3.04037644 12.18008294 -6.84786435
-0.00004763 0.00004617 -0.00011367
-0.02249766 -0.00539457 0.00895429
-4.22795081 11.88426143 -13.76474432
0.00026711 0.00012763 0.00000461
0.01781755 -0.04113967 -0.00152584
3.85143343 7.22248160 17.39333254
0.00010685 0.00011266 -0.00019067
-0.01410395 0.00393578 -0.01064643
-15.26524620 8.75573634 -9.07554804
-0.00049190 -0.00022460 0.00004491
-0.03019273 0.00148571 -0.00195538
3.74407047 9.25071292 0.48784542
-0.00005862 -0.00015633 0.00014757
-0.01674549 -0.01360987 0.00165567
15.80539483 -24.02145600 -26.66040843
0.00025928 -0.00005945 0.00006113
-0.01147613 0.00178136 -0.01909527
5.77452374 4.20357555 0.13288691
-0.00013430 -0.00012592 0.00022838
-0.00049704 -0.00865987 -0.00820402
17.12206019 -5.28585234 0.35904034
0.00031043 -0.00000222 -0.00026941
0.00879683 -0.00724017 0.03476743
-4.61216358 2.49186575 -2.61291960
-0.00039450 -0.00024963 0.00039967
-0.05074028 0.00219386 0.01884932
0.90571822 2.40809206 -11.87766218
-0.00025351 0.00018894 0.00002443
-0.04962591 -0.01336466 -0.00143485
15.47323381 8.93488476 -7.43736188
-0.00036130 -0.00034293 0.00020324
0.03870556 0.00277520 0.00460039
-6.34302076 0.95571131 12.76305497
-0.00042103 0.00017752 0.00021778
0.02113941 0.00581306 0.00520025
-3.50089238 -16.15870133 12.79745324
-0.00017897 -0.00024011 0.00039105
0.00303463 -0.00505048 -0.01503482
7.04921624 -6.95138715 -6.10944457
0.00009056 0.00028331 -0.00044204
-0.00913918 0.01715037 0.02064466
-1.12919184 -11.55517194 1.54549238
0.00010991 -0.00016712 -0.00040548
-0.00207846 -0.01783064 -0.01562279
-16.26847761 -1.77685613 5.24363010
0.00027841 -0.00003203 0.00042451
0.02102144 0.00121839 -0.01545552
-9.10416702 3.57449424 -21.97542774
-0.00026602 -0.00038441 -0.00043995
0.00476935 0.02865863 0.02714537
2.18025262 1.23498220 -1.28419190
-0.00017731 -0.00016776 0.00001412
0.00534110 0.00838957 -0.06782438
12.43802569 8.54838284 3.82442542
0.00013365 -0.00014902 -0.00009108
0.03330496 -0.00715819 0.01840258
-7.35176985 -4.11972699 2.28224018
-0.00100139 -0.00033719 0.00089245
-0.00690931 -0.00914831 0.02896506
-9.96057523 -3.44421608 2.23680981
0.00014888 -0.00158757 -0.00056444
-0.02365633 0.01266530 -0.00564883
-16.67834821 5.91616994 6.98983346
0.00055319 0.00008043 0.00018365
-0.00790010 -0.01981401 -0.01198532
-17.17260351 3.59782161 5.17716351
-0.00050509 -0.00018731 -0.00029628
0.01417989 -0.00737698 -0.02052370
-16.23387416 0.78885623 0.53310676
-0.00130601 0.00032292 -0.00046659
0.00584672 0.02618338 0.00757199
-17.12346654 -1.72060501 -0.27651066
0.00100443 0.00060173 0.00037888
0.03399896 0.00896003 0.01020623
1.69595165 -20.82885314 14.94913110
-0.00092596 0.00010648 -0.00029446
-0.00675784 -0.02438620 -0.00487671
3.37161407 -18.83425024 15.71193801
-0.00084327 -0.00014055 0.00032490
0.02067523 -0.01057022 0.00897958
8.29727623 14.26819779 -1.25598911
-0.00030587 -0.00047228 0.00031587
-0.00097173 -0.00404258 -0.00018545
7.47348776 16.47149966 0.36207818
-0.00056540 -0.00076262 -0.00025129
-0.00289357 0.01092430 0.01892220
-8.42232640 9.35792987 12.40297877
-0.00027169 0.00103240 -0.00008649
-0.01498736 0.00004406 -0.00505184
-10.62269999 11.21063008 11.59469772
-0.00053738 0.00032638 -0.00025182
0.01138105 -0.02025502 0.00267438
-9.83562114 0.11738007 -14.51253956
-0.00079057 0.00058912 -0.00059394
-0.03117192 0.02197748 0.00490274
-8.24945264 -2.00701337 -15.14904724
0.00043081 0.00009420 -0.00038694
0.00581605 -0.04354785 -0.03315841
-12.19077054 1.14929793 -7.05715967
-0.00004110 -0.00014689 -0.00001143
-0.02630408 -0.02137757 0.00833045
-10.84884885 3.67231466 -5.79403053
-0.00111243 0.00040713 0.00063295
-0.00013666 -0.02432346 -0.02399573
-1.92618989 -6.14124399 14.59230358
-0.00049684 -0.00061676 0.00018670
-0.01023539 -0.00572654 -0.00507260
-0.35385052 -5.67761353 17.01023386
-0.00022279 0.00021589 -0.00048840
0.00132439 -0.00133351 0.00640318
-24.92921264 -0.54478756 -19.04292053
-0.00023794 0.00005194 -0.00079994
0.01024952 0.00559253 0.00420063
-25.60584760 1.06197748 -21.55479079
0.00008623 -0.00087063 -0.00020674
0.00070170 -0.01848182 0.00413112
9.50439643 8.74678169 6.67957968
0.00022359 0.00005203 -0.00066987
-0.00028011 -0.00720016 -0.01080595
10.10193496 7.81461354 9.18272558
0.00002649 0.00049838 0.00010530
0.00028391 -0.00389607 0.00873305
19.76790965 27.47452502 -4.06497005
-0.00016724 -0.00004579 0.00046421
0.00437831 0.00354320 -0.00074355
20.12518777 30.49773050 -4.31028647
0.00027560 -0.00011389 -0.00023995
0.01067675 -0.01926208 -0.01230372
6.13979759 -0.60795536 -6.91259420
-0.00133351 -0.00052051 -0.00026075
0.02891837 -0.01399830 -0.00817542
7.20097355 -3.34486490 -7.20759516
0.00071358 0.00034152 0.00017237
0.00450710 0.00924892 0.00132430
-8.71908177 -2.21738081 12.18701589
-0.00038347 0.00080569 -0.00024736
-0.00468657 -0.02115756 0.01627961
-11.16685209 -3.00446610 13.44424706
0.00059837 -0.00052322 -0.00095948
0.02061587 -0.00804786 0.00821348
-1.38634473 -24.23620765 14.93659571
0.00057193 0.00050894 0.00041928
0.00293745 -0.01783677 0.00456932
-3.03201894 -22.14665451 13.69390202
0.00041202 0.00016843 0.00107966
-0.00267869 -0.00565136 0.00423888
-12.30100099 -7.86731012 -7.04660793
-0.00036251 -0.00126673 -0.00013916
-0.00238921 -0.00378299 -0.01237083
-10.29814005 -7.22179632 -9.37024648
0.00023972 -0.00018210 0.00038237
-0.03029276 -0.04411595 0.05075874
-16.21644273 -10.29051957 -15.81080492
0.00012276 0.00101828 -0.00062407
-0.00043555 -0.02344402 0.00287435
-14.24618209 -8.11929175 -16.17761589
0.00004011 -0.00026398 -0.00010577
0.00405811 0.00227302 -0.00171463
17.02563068 12.73265193 5.36438734
0.00074832 0.00046423 -0.00020977
0.00026213 0.00122879 -0.00270233
17.36274609 14.10444299 2.73399331
-0.00007568 0.00081560 -0.00026283
-0.00125547 0.00748109 0.00326271
18.47656515 -4.23164049 -15.04383181
-0.00040192 -0.00028866 0.00003512
0.01117625 0.00157875 -0.00048456
21.23108691 -3.21082750 -15.36835785
-0.00077148 0.00143158 -0.00036056
0.01053785 0.02256637 -0.01024253
-1.48174191 7.28686296 -13.60004835
0.00102773 -0.00058070 0.00049578
-0.00071737 -0.01737043 0.00487833
0.12373519 6.98010917 -16.04990886
-0.00011678 0.00050508 -0.00118399
0.00387579 -0.02263437 -0.01437498
0.85430724 0.52861715 -15.52028029
-0.00033091 0.00012909 -0.00019453
0.00241670 -0.00503187 -0.00284587
2.50125730 -1.02947650 -17.36357942
-0.00105892 0.00022218 0.00044152
-0.00116385 0.00011942 0.00888225
12.11778326 22.81349738 -22.35991903
0.00053962 -0.00015335 0.00075653
0.00035273 -0.04540153 -0.02375723
9.91122177 21.21008480 -23.11915588
0.00100597 -0.00007288 -0.00012775
-0.00830962 -0.01303511 -0.00712206
-9.85051070 16.16747738 -17.10448121
0.00013036 -0.00030486 -0.00013539
-0.02632283 -0.01154295 0.00827085
-10.79944711 15.18264962 -14.35602235
0.00005183 0.00096133 -0.00049887
-0.00680122 -0.00039879 -0.02869020
3.04112493 18.53614174 11.38200006
0.00154715 -0.00013606 -0.00018411
-0.03083844 0.02260684 0.00431610
4.91208649 17.97895284 9.18189544
-0.00017592 0.00069528 -0.00035311
-0.00245531 0.01013369 -0.01778545
-3.68248402 -10.43016087 -3.16944828
0.00001436 -0.00045140 -0.00104120
-0.06110758 0.02456756 0.00772010
-1.35609610 -11.35474550 -1.79145492
0.00065201 -0.00074972 -0.00038429
-0.01361875 0.00856925 -0.02798317
0.13008395 -7.03635358 4.83664916
-0.00016810 -0.00088325 0.00029691
0.01619376 -0.01001337 -0.00566557
2.83297154 -8.33154498 4.53348636
0.00054540 -0.00068481 0.00126466
0.00937116 0.00542438 0.01075318
8.23034930 1.99194468 9.34362894
-0.00116382 -0.00030382 -0.00097240
-0.00231491 -0.00106235 0.00390519
9.64367318 3.51089036 7.40403373
0.00039586 0.00013499 0.00058621
-0.00014928 0.02806420 -0.00883626
-7.99270794 -8.80930964 -4.46634564
0.00012618 0.00081218 -0.00020268
0.01730734 -0.00567524 0.01920653
-8.13865443 -10.17395287 -1.95148863
0.00133236 0.00006678 0.00013925
-0.00933999 -0.00757386 0.00889685
4.90252841 -13.63238562 -11.93638645
-0.00013046 -0.00023296 0.00020405
-0.01066399 0.00670254 -0.01130216
2.37433507 -13.19075927 -13.71177030
0.00032092 0.00009096 -0.00051822
0.00636468 -0.00160743 0.01096621
1.34855848 -6.02509298 0.04320858
0.00000172 -0.00011288 0.00053323
0.00128528 -0.03486210 0.03071555
-0.15519980 -3.57188895 -0.24960688
-0.00009014 -0.00008650 -0.00026015
-0.00158081 -0.00727520 0.00422705
17.50735360 3.44981197 25.78691220
-0.00000752 -0.00051555 -0.00027533
-0.00215777 0.00421568 0.00457259
16.53795000 3.24948354 28.45197288
0.00027506 -0.00033506 0.00081908
-0.00712948 -0.01231811 0.01204784
-10.83810879 7.31894640 -4.03366310
0.00022170 -0.00066541 0.00087180
-0.02632424 0.01369414 0.01579467
-8.55649614 7.16857916 -5.49111850
0.00084457 -0.00067917 0.00041706
0.02332326 0.00506681 -0.01425749
-6.40329057 16.06716795 -9.16040225
-0.00013870 -0.00033870 0.00005417
-0.00053077 0.00112329 -0.00103476
-4.79776738 14.26829948 -10.89558383
-0.00020480 0.00033043 -0.00060675
0.00174742 -0.00083238 -0.00259101
2.83308436 10.63022000 -5.79792574
-0.00045652 0.00024022 0.00097310
0.00359834 0.02110277 -0.01562586
1.41581380 13.12982068 -6.87859128
-0.00065017 0.00011862 -0.00049079
0.01714557 -0.00828929 0.00399483
-2.64209261 10.90270934 -14.24380215
-0.00034966 0.00074075 0.00022603
-0.02287882 0.02304657 0.00580319
-5.33989669 10.43422143 -13.37827657
0.00042742 0.00028008 0.00051103
0.00150322 0.01868643 -0.00162706
4.22586602 7.88606124 19.06225343
0.00099474 -0.00030841 0.00033572
-0.00092709 -0.00283351 0.00478545
1.97974674 7.09846164 17.31186243
-0.00028460 -0.00045009 0.00034715
0.00611172 -0.00481973 0.00662758
-13.50542551 8.72735469 -8.77647916
0.00089427 0.00015166 -0.00104413
0.01880844 -0.00523678 0.00879432
-16.27303887 8.31443202 -7.58092429
-0.00058008 0.00060955 -0.00037372
0.01470009 0.00028818 -0.00132115
5.27819624 10.29106857 0.24045232
0.00066863 0.00130449 0.00042470
-0.01629848 0.00186009 0.01494862
2.17783722 9.71285956 1.47813077
-0.00056361 0.00175528 -0.00026438
0.03768356 0.00189522 -0.02279678
14.34151367 -23.86599743 -25.55853943
-0.00001937 0.00037348 -0.00025311
-0.00736851 -0.00189407 0.00663281
14.95619883 -23.94229244 -28.33340183
-0.00026306 -0.00111169 -0.00082780
0.01178708 -0.00464611 0.01618938
4.49665613 3.41520618 -0.93790465
-0.00103188 -0.00024376 0.00023554
0.00451101 0.00139109 0.00499594
4.94796925 5.79417439 0.41042390
0.00083010 0.00028669 0.00118499
0.00207121 0.01814509 0.01107306
17.10999841 -3.68913414 -0.42647414
0.00098681 0.00035919 -0.00019078
0.00676053 0.02030917 -0.01696686
16.56338574 -6.56144963 -0.75198781
-0.00088218 0.00076818 0.00012055
-0.01333903 -0.01403716 -0.02694369
-6.32178427 2.87446322 -1.66393715
-0.00019088 -0.00050325 -0.00060386
0.04814241 -0.00268879 -0.02243533
-5.20014484 1.00135005 -3.64597345
0.00043192 0.00105549 -0.00049407
0.01125182 0.00944988 0.00869836
2.51391600 2.89625665 -11.32133773
-0.00049201 -0.00032867 0.00000725
0.02191319 0.00401923 0.01045994
-0.12874477 1.64133734 -10.48754665
0.00159337 0.00018428 -0.00029963
0.02968354 0.00609784 -0.02275641
17.04763336 7.80822889 -7.84939765
0.00073589 0.00135581 0.00078840
-0.02589552 0.01384114 -0.00215361
16.20919334 10.60637688 -7.12633930
-0.00009994 -0.00014468 0.00042468
-0.00841510 -0.01122867 0.00004799
-6.61957418 0.39171459 11.05553913
-0.00083746 -0.00003367 -0.00041454
-0.00850567 0.00600957 -0.01075568
-7.84165035 1.79985542 13.43350357
0.00055426 -0.00104101 0.00083725
-0.01380714 -0.00340910 0.00140623
-2.21689229 -16.78614502 13.91842349
-0.00061570 0.00008725 -0.00024369
0.01036589 0.01175864 0.01211689
-4.50256092 -17.64996566 12.56706578
0.00007733 0.00158291 -0.00032385
-0.01275858 -0.01039045 -0.00824862
6.90326695 -6.31691409 -4.31780498
-0.00076854 0.00001507 -0.00064536
0.00781111 -0.00448213 -0.01731408
5.53293389 -8.00475799 -6.22091248
0.00005424 0.00080858 0.00023857
-0.00109796 -0.00485323 -0.00047044
-2.79777553 -11.51284892 2.27133118
-0.00015552 0.00030520 -0.00019036
-0.01108916 -0.00283515 0.00319911
-0.24323911 -10.27481481 2.52472634
-0.00013336 0.00053004 -0.00087336
0.00596178 0.01318289 0.00363998
-14.69021017 -0.92919439 5.73019370
0.00091753 0.00044671 0.00066177
-0.01535012 -0.00281833 0.00694004
-15.94431467 -1.85836544 3.35054170
0.00035065 -0.00036044 -0.00002334
-0.00669325 0.00318904 0.02073674
-9.56610662 4.83642648 -23.25294781
-0.00000865 -0.00015681 -0.00079735
0.00022505 -0.00656796 0.00105073
-8.98249520 4.59022338 -20.35978179
0.00009071 -0.00021574 0.00022532
-0.00213429 -0.01618458 -0.02552141
1.74196439 1.21226723 -3.15058499
0.00013013 -0.00046281 -0.00074863
0.02570791 0.00447099 0.02807791
0.71755509 0.45793066 -0.74844985
-0.00024682 -0.00038884 0.00023685
-0.04151881 -0.01979534 0.03444961
13.96121771 9.57890268 3.63503575
0.00111787 -0.00037249 -0.00049594
-0.00821722 -0.00525388 0.00505091
11.39551742 9.20119548 2.55021487
-0.00040738 -0.00106047 -0.00012801
-0.02598334 0.01256308 -0.02884110
5.44093134 -9.15510410 -10.59157962
-0.00007379 -0.00023294 0.00010409
-0.00029907 0.00457380 -0.00540953
-13.02456961 10.42024367 21.21134494
0.00004028 -0.00003203 0.00012166
0.00745835 0.00082635 -0.00320167
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06805949
0.31664432
421.91267997
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864142780
ExchangeOperator: bisection time: 1.967 s
total exchange = -52.3822989126 (a.u.)
total exchange computation time: 3.3421380520 s
-154.2530254930
-931.38445601
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864142780
ExchangeOperator: bisection time: 1.969 s
total exchange = -52.3818138980 (a.u.)
total exchange computation time: 3.3415601254 s
-154.2578005402
Anderson extrapolation: theta=1.3503619473 (1.3503619473)
-931.38468270
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864142780
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.3810592156 (a.u.)
total exchange computation time: 3.3439719677 s
-154.2651027910
Anderson extrapolation: theta=0.0519330695 (0.0519330695)
-931.38481809
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864142780
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.3809415554 (a.u.)
total exchange computation time: 3.3435919285 s
-154.2662069583
Anderson extrapolation: theta=1.9162580321 (1.9162580321)
-931.38482297
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864142780
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.3806936049 (a.u.)
total exchange computation time: 3.3443851471 s
-154.2685086985
Anderson extrapolation: theta=0.2179272676 (0.2179272676)
-931.38482782
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864142780
ExchangeOperator: bisection time: 1.969 s
total exchange = -52.3806342178 (a.u.)
total exchange computation time: 3.3416280746 s
-154.2690418394
Anderson extrapolation: theta=1.8742863843 (1.8742863843)
-931.38482867
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864142780
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.3805431653 (a.u.)
total exchange computation time: 3.3438780308 s
-154.2698430731
Anderson extrapolation: theta=0.2843682474 (0.2843682474)
-931.38482964
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864142780
ExchangeOperator: bisection time: 1.966 s
total exchange = -52.3805377636 (a.u.)
total exchange computation time: 3.3434457779 s
-154.2698752887
Anderson extrapolation: theta=1.3126645245 (1.3126645245)
-931.38482986
238.255104 31.968759 246.064831
-142.204054 490.058690 -805.240459
96.051050 522.027449 -559.175628
770.983686
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864142780
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.3805457317 (a.u.)
total exchange computation time: 3.3427879810 s
678.96098371
-1083.83682058
89.77990670
-389.06285938
-174.84549469
78.39856874
551.60419304
0.00000000
-931.38482998
-8.79309945 -3.90331950 3.54629683
0.00010818 -0.00017558 0.00040041
0.03263789 0.00491854 -0.02476355
-17.85074275 4.51094656 6.53342829
0.00006609 -0.00034636 -0.00019060
-0.00293460 0.03377742 0.03344348
-15.58068655 -0.89524908 0.52691413
0.00013517 -0.00006538 -0.00025684
-0.03386158 -0.02993530 -0.02390567
3.38228106 -20.69472240 15.62782145
-0.00028202 0.00013342 -0.00019135
-0.01925739 0.03314927 -0.00267145
7.52436109 15.95496032 -1.33871252
0.00029814 0.00023019 0.00003321
0.00641517 -0.01328514 -0.01521061
-9.80740158 9.58226820 11.12510187
-0.00009606 -0.00036033 -0.00006932
-0.00831832 0.01645938 -0.00480401
-8.21231026 -0.53897105 -14.21471016
-0.00021653 0.00020203 -0.00018562
0.02627356 0.02240670 0.02941608
-10.82890822 2.27559022 -7.11174371
0.00010228 0.00028483 0.00031788
0.03117451 0.03863209 0.00680954
-0.24982355 -5.74682735 15.19956412
-0.00011183 0.00002736 0.00039036
0.00192789 0.00201689 -0.00530672
-25.51610548 -0.63310055 -20.75212448
-0.00038677 -0.00011455 0.00018483
-0.00513093 0.00885165 -0.02247851
8.86162234 7.50216085 7.85586386
-0.00004974 -0.00005689 0.00004460
0.00797512 0.00691586 -0.00364226
20.77447347 28.75483191 -4.95838873
0.00008167 -0.00011756 -0.00025826
-0.00849687 0.00332646 0.01691268
7.76751623 -1.56820022 -7.21707388
0.00003575 -0.00002095 -0.00008822
-0.03844384 0.00667023 0.00492914
-9.34628735 -3.52915875 13.39811694
0.00021521 0.00003139 0.00048075
-0.01500307 0.02980075 -0.03254002
-1.30581584 -22.76508352 13.90716294
0.00007373 -0.00000083 0.00013102
-0.00391768 0.02714393 -0.00734138
-11.08691559 -8.68441018 -8.22643339
0.00001632 0.00019427 0.00028613
0.03433122 0.04768365 -0.04027489
-15.91575156 -8.55735978 -15.52396336
0.00005492 -0.00014065 0.00007521
-0.00649388 0.02914943 0.00278090
16.62424565 12.66860179 3.56100930
0.00036942 0.00011093 0.00017825
0.00072735 -0.00685625 -0.00431439
20.24328814 -4.58329732 -14.73501109
-0.00025987 -0.00015957 0.00003095
-0.01512778 -0.02082730 0.00283852
-0.52513671 8.14166779 -14.87367637
0.00034387 0.00003439 -0.00010810
-0.00789912 0.02984257 0.01233490
0.74674906 -0.77157632 -16.83630486
-0.00008277 0.00031860 -0.00033496
-0.01029690 0.01185789 0.00642792
11.73490614 21.00398544 -23.16315187
0.00027941 -0.00016972 -0.00010872
0.01633428 0.05272307 0.03173512
-11.28464803 15.22727107 -16.17131858
-0.00001037 0.00011645 -0.00035870
0.02482151 0.00293745 0.02579748
4.41705105 17.58676088 10.85120242
0.00021886 0.00020805 -0.00028768
0.04177522 -0.04254842 0.00532155
-2.13923379 -11.09631465 -3.56022333
-0.00019825 0.00007668 0.00018410
0.08234069 -0.03158984 0.02307295
1.22062742 -8.09840983 3.73313195
-0.00002066 -0.00017972 0.00007480
-0.00848883 0.01999185 0.01098568
9.61395736 1.90824822 8.18226640
0.00002126 0.00032185 0.00019943
-0.00220504 -0.02557351 0.00301876
-6.92152273 -9.36262336 -3.01904548
-0.00014017 0.00028493 -0.00010290
-0.01179579 0.02107285 -0.02790299
3.91111085 -12.44749912 -12.98846731
-0.00012555 0.00038166 -0.00024671
0.00308871 -0.00706759 0.00198312
1.17324261 -4.60221215 -0.95784452
0.00012743 0.00017416 0.00013620
-0.00025070 0.03720346 -0.03183254
16.96056313 4.46995297 27.19924239
0.00037099 0.00025129 -0.00033488
0.00555978 -0.00160886 -0.00961377
-9.61015636 6.09373307 -4.46753131
-0.00014762 -0.00011639 0.00012009
-0.00149499 -0.00961950 0.01301912
-4.97580585 14.92897487 -9.20229234
0.00038333 0.00002050 -0.00020630
0.00165433 -0.00078972 0.00562792
3.03957522 12.18075476 -6.84953493
-0.00006006 0.00004327 -0.00010862
-0.02585402 -0.00591826 0.01068504
-4.22387550 11.88601718 -13.76468106
0.00027533 0.00010733 0.00000417
0.01416586 -0.03781688 -0.00019178
3.85298172 7.22418673 17.39043135
0.00009925 0.00011491 -0.00019531
-0.01542386 0.00482016 -0.00737470
-15.27274114 8.75237308 -9.07488186
-0.00050436 -0.00022355 0.00004323
-0.01827680 0.00260085 -0.00457910
3.74312655 9.24831547 0.49006530
-0.00006605 -0.00016142 0.00014877
-0.01214908 -0.00617372 0.00304305
15.80923975 -24.02234091 -26.65956513
0.00025260 -0.00005858 0.00005002
-0.01450438 0.00160119 -0.02410709
5.77250726 4.20165336 0.13628092
-0.00013527 -0.00013074 0.00022363
-0.00327496 -0.01009362 -0.01026255
17.12675053 -5.28591356 0.35513330
0.00031519 -0.00000484 -0.00025139
0.00973865 -0.00294978 0.03530979
-4.61827678 2.48812977 -2.60685184
-0.00041950 -0.00024774 0.00040934
-0.04650061 0.00516649 0.01875655
0.90172408 2.41087458 -11.87730128
-0.00027839 0.00018264 0.00002238
-0.04712085 -0.01113173 -0.00653901
15.46796358 8.92975152 -7.43429547
-0.00034079 -0.00034062 0.00020580
0.04106193 0.00621726 0.00535739
-6.34925473 0.95839649 12.76634170
-0.00040870 0.00017905 0.00021836
0.02684192 0.00015743 -0.00294171
-3.50356517 -16.16232246 12.80326101
-0.00017662 -0.00023944 0.00038276
0.00609741 0.00766602 -0.01721627
7.05053946 -6.94707128 -6.11599561
0.00008596 0.00029219 -0.00043141
-0.00875179 0.01736290 0.02069417
-1.12755116 -11.55774753 1.53934986
0.00010835 -0.00017603 -0.00041307
-0.00402032 -0.01683190 -0.01389635
-16.26422030 -1.77733184 5.24993807
0.00029039 -0.00003082 0.00041648
0.02555593 0.00346987 -0.01577132
-9.10813897 3.56883867 -21.98192221
-0.00026358 -0.00036896 -0.00042553
0.00475157 0.03140386 0.02892183
2.17761353 1.23249812 -1.28424166
-0.00017533 -0.00016380 -0.00002121
0.00238313 0.00702882 -0.06958823
12.44015893 8.54611986 3.82313026
0.00015165 -0.00015215 -0.00008172
0.03669868 -0.00498587 0.01796490
-7.36700240 -4.12506524 2.29651449
-0.00101798 -0.00037475 0.00100389
-0.00121083 -0.00923756 0.02558602
-9.95906690 -3.46764157 2.22817016
0.00005404 -0.00153656 -0.00058287
-0.02277067 0.01230618 -0.00337348
-16.67029251 5.91676919 6.99222094
0.00051597 -0.00000686 0.00013204
-0.01031929 -0.02291223 -0.01327738
-17.17974534 3.59478594 5.17209047
-0.00044532 -0.00021876 -0.00038291
0.01507786 -0.00801794 -0.02188363
-16.25328511 0.79450242 0.52633988
-0.00127477 0.00041727 -0.00043443
0.00944383 0.01999868 0.00817163
-17.10735819 -1.71130456 -0.27051463
0.00113227 0.00062938 0.00041401
0.02857877 0.00457456 0.00698898
1.68185521 -20.82800324 14.94456475
-0.00094480 0.00000719 -0.00031063
-0.00246597 -0.02421801 -0.00303974
3.35959857 -18.83668240 15.71708665
-0.00075796 -0.00017970 0.00036154
0.02108419 -0.00859324 0.00895837
8.29265839 14.26098976 -1.25125682
-0.00031167 -0.00048383 0.00031374
-0.00186640 -0.00161374 -0.00085624
7.46491806 16.46039514 0.35888868
-0.00057838 -0.00071481 -0.00016482
-0.00345771 0.01247894 0.02340722
-8.42686094 9.37341725 12.40152656
-0.00033021 0.00102985 -0.00010538
-0.01366184 -0.00129287 -0.00419125
-10.63041188 11.21490511 11.59100230
-0.00048762 0.00023654 -0.00024330
0.01297508 -0.02372340 0.00149803
-9.84843490 0.12689036 -14.52129848
-0.00090526 0.00067244 -0.00057203
-0.02497096 0.01880498 0.00582331
-8.24281229 -2.00693489 -15.15586738
0.00045386 -0.00007780 -0.00051926
0.00546824 -0.04064432 -0.03161241
-12.19219314 1.14643945 -7.05707580
-0.00014238 -0.00022930 0.00002190
-0.02326878 -0.01896204 0.00798420
-10.86553948 3.67767633 -5.78527154
-0.00111126 0.00030542 0.00053222
0.00070939 -0.02546627 -0.02531413
-1.93395609 -6.15067088 14.59494869
-0.00053042 -0.00063764 0.00016851
-0.00620437 -0.00449519 -0.00383414
-0.35715178 -5.67441610 17.00310407
-0.00021800 0.00021078 -0.00044819
0.00102109 -0.00116836 0.01328203
-24.93246771 -0.54383712 -19.05479098
-0.00019149 0.00007532 -0.00076918
0.01249140 0.00585440 0.01085673
-25.60453260 1.04835164 -21.55776525
0.00008834 -0.00093928 -0.00019260
0.00032995 -0.01512030 0.00278977
9.50774176 8.74734148 6.66920051
0.00021932 0.00001600 -0.00070741
-0.00181319 -0.01043388 -0.00756969
10.10234102 7.82196983 9.18457276
0.00002584 0.00048172 0.00013862
-0.00060258 -0.00425840 0.00757395
19.76553522 27.47394674 -4.05802972
-0.00014610 -0.00002767 0.00045804
0.00597012 0.00532716 -0.00227677
20.12964891 30.49543184 -4.31426278
0.00031899 -0.00019180 -0.00029010
0.01056362 -0.01887118 -0.01224555
6.12068107 -0.61619189 -6.91675598
-0.00120663 -0.00058068 -0.00029528
0.03319041 -0.01545514 -0.00872611
7.21181535 -3.33945864 -7.20496897
0.00073026 0.00037181 0.00017766
0.00365635 0.00557465 0.00126347
-8.72497742 -2.20594383 12.18380439
-0.00040303 0.00071267 -0.00017508
-0.00488625 -0.02437459 0.01910157
-11.15724475 -3.01256107 13.43010654
0.00067454 -0.00055515 -0.00092364
0.01666600 -0.00757998 0.00932953
-1.37767575 -24.22912007 14.94302499
0.00058357 0.00043263 0.00044034
0.00275829 -0.01951720 0.00573672
-3.02592078 -22.14430120 13.71022680
0.00039646 0.00014713 0.00109565
-0.00493746 -0.00477813 0.00359114
-12.30651190 -7.88642695 -7.04907446
-0.00037660 -0.00127643 -0.00018486
-0.00450457 -0.00096540 -0.00999812
-10.29547258 -7.22587960 -9.36295550
0.00011553 -0.00035964 0.00058913
-0.03049911 -0.04279172 0.05044970
-16.21461473 -10.27596371 -15.82007787
0.00011743 0.00090429 -0.00061513
-0.00216992 -0.03235765 0.00150012
-14.24545616 -8.12318176 -16.17925502
0.00005605 -0.00025377 -0.00011245
0.00374889 0.00272541 -0.00155448
17.03686349 12.73965299 5.36115799
0.00074969 0.00046908 -0.00021704
0.00041155 0.00114695 -0.00085792
17.36157246 14.11690630 2.73015077
-0.00008435 0.00083910 -0.00024598
-0.00299222 0.00402074 0.00498897
18.47087878 -4.23592200 -15.04331990
-0.00035580 -0.00028324 0.00003377
0.01140295 0.00107510 -0.00017619
21.21983766 -3.18866225 -15.37408009
-0.00073676 0.00150912 -0.00039614
0.00645470 0.01538599 -0.00717701
-1.46634799 7.27762015 -13.59246209
0.00102830 -0.00064871 0.00051049
0.00099759 -0.01591793 0.00232108
0.12210220 6.98699183 -16.06810928
-0.00010337 0.00041599 -0.00123891
0.00269237 -0.02097790 -0.01250813
0.84941770 0.53039936 -15.52328545
-0.00032116 0.00010928 -0.00020580
0.00235430 -0.00466843 -0.00266838
2.48533782 -1.02614018 -17.35668443
-0.00104802 0.00021983 0.00047229
0.00649818 -0.00126868 0.00617724
12.12588833 22.80980595 -22.34929914
0.00054031 -0.00034005 0.00065752
-0.00001400 -0.04598936 -0.02470793
9.92605672 21.20859224 -23.12129039
0.00096138 -0.00012488 -0.00015698
-0.01351682 -0.01242361 -0.00718396
-9.84936186 16.16255077 -17.10625856
0.00002385 -0.00035111 -0.00010301
-0.02581490 -0.01109788 0.00757712
-10.79887808 15.19705741 -14.36438449
0.00002393 0.00095892 -0.00061323
-0.00685363 -0.00078309 -0.02729380
3.06338715 18.53479355 11.37937070
0.00140250 -0.00003062 -0.00015815
-0.03996648 0.02900936 0.00838903
4.90937240 17.98969260 9.17605379
-0.00018575 0.00073578 -0.00042404
-0.00235385 0.00969075 -0.01693270
-3.68414112 -10.43617901 -3.18482978
-0.00024500 -0.00034653 -0.00100480
-0.06585274 0.02676507 0.01010114
-1.34673322 -11.36572874 -1.79807679
0.00059296 -0.00071255 -0.00049695
-0.01528974 0.00962720 -0.02716525
0.12805869 -7.04990923 4.84092913
-0.00010378 -0.00092198 0.00027516
0.01528935 -0.00894151 -0.00497773
2.84143968 -8.34165094 4.55278581
0.00056835 -0.00066048 0.00130045
0.00186191 0.00648540 0.00676447
8.21282112 1.98735486 9.32916265
-0.00117148 -0.00030812 -0.00095808
-0.00143530 -0.00104338 0.00310125
9.64960655 3.51377516 7.41255610
0.00039523 0.00025439 0.00054806
-0.00016007 0.03038375 -0.00983667
-7.99028487 -8.79730088 -4.46879726
0.00019560 0.00078743 -0.00012199
0.01667393 -0.00643725 0.02029085
-8.11895516 -10.17318324 -1.94912722
0.00128527 0.00003115 0.00018079
-0.01371408 -0.00986627 0.01143554
4.90024474 -13.63567462 -11.93367197
-0.00017756 -0.00019981 0.00015371
-0.01239302 0.00952217 -0.01334188
2.37934397 -13.18944414 -13.71920758
0.00034456 0.00008388 -0.00047464
0.00520711 -0.00185840 0.01036701
1.34862367 -6.02785452 0.05214818
0.00000573 -0.00024635 0.00065253
0.00067909 -0.03047059 0.02768587
-0.15660032 -3.57340936 -0.25337960
-0.00009819 -0.00011509 -0.00024194
-0.00235834 -0.00672241 0.00468460
17.50717473 3.44220790 25.78292240
-0.00001745 -0.00049639 -0.00025381
-0.00270630 0.00516172 0.00595845
16.54185749 3.24408024 28.46462832
0.00025102 -0.00037078 0.00085307
-0.00464055 -0.00516870 0.00458991
-10.83558999 7.30938488 -4.02010203
0.00011123 -0.00060371 0.00093645
-0.02775025 0.01650887 0.01584957
-8.54311297 7.15854690 -5.48529944
0.00093628 -0.00065858 0.00036058
0.02157143 0.00500887 -0.01339081
-6.40538728 16.06212185 -9.15962145
-0.00013833 -0.00033534 0.00005049
0.00070806 0.00052173 -0.00076433
-4.80078582 14.27323042 -10.90476451
-0.00019701 0.00032767 -0.00061433
0.00206447 -0.00051935 -0.00111986
2.82634689 10.63447002 -5.78380807
-0.00044058 0.00033008 0.00090568
0.00420333 0.02288063 -0.01737506
1.40658660 13.13134603 -6.88583073
-0.00057428 0.00008225 -0.00047417
0.02000669 -0.00951688 0.00413936
-2.64803865 10.91452686 -14.24023393
-0.00043450 0.00082937 0.00024742
-0.01865119 0.02033124 0.00466824
-5.33343934 10.43899526 -13.37066100
0.00043257 0.00035490 0.00050425
0.00101810 0.01793689 -0.00168989
4.24075867 7.88134832 19.06743586
0.00098830 -0.00032271 0.00034814
-0.00222293 -0.00417061 0.00129492
1.97566508 7.09156261 17.31727277
-0.00025462 -0.00046867 0.00037488
0.00856045 -0.00427648 0.00694405
-13.49143507 8.72946915 -8.79187167
0.00094909 0.00012995 -0.00101003
0.00802672 -0.00539321 0.00790075
-16.28128961 8.32358403 -7.58657051
-0.00052186 0.00060845 -0.00037219
0.01380064 -0.00082368 0.00206864
5.28772626 10.31069297 0.24728087
0.00058918 0.00130094 0.00048587
-0.02259079 -0.00359937 0.01499345
2.17053776 9.73924685 1.47346645
-0.00040533 0.00175823 -0.00036054
0.03979872 -0.00045010 -0.02427444
14.34099732 -23.86045332 -25.56213291
-0.00004826 0.00036578 -0.00022659
-0.00677205 -0.00187137 0.00634986
14.95261406 -23.95911017 -28.34532280
-0.00020974 -0.00113069 -0.00075094
0.01431378 -0.00465340 0.02143872
4.48131610 3.41159241 -0.93421842
-0.00100812 -0.00023213 0.00026145
0.00711999 0.00430047 0.00768552
4.96048424 5.79903072 0.42853805
0.00083808 0.00035811 0.00122869
0.00183279 0.01681644 0.01032095
17.12500767 -3.68312402 -0.42985574
0.00101376 0.00043654 -0.00025653
0.00643180 0.01755675 -0.01521713
16.54974435 -6.55035714 -0.75100517
-0.00093828 0.00070663 0.00000636
-0.01412520 -0.01609077 -0.02895383
-6.32317223 2.86683203 -1.67368256
0.00000045 -0.00051295 -0.00069148
0.04551333 -0.00205901 -0.02045655
-5.19332133 1.01747192 -3.65311799
0.00047490 0.00108690 -0.00046245
0.00978992 0.00592689 0.00678002
2.50720732 2.89144972 -11.32090853
-0.00039624 -0.00031012 0.00004993
0.02496931 0.00506100 0.01043247
-0.10393456 1.64428847 -10.49273845
0.00170267 0.00020262 -0.00038225
0.02381930 0.00287911 -0.01768451
17.05787826 7.82899019 -7.83763767
0.00062830 0.00140785 0.00077836
-0.02677065 0.01163024 -0.00276179
16.20743640 10.60386264 -7.11996765
-0.00013777 -0.00019270 0.00042492
-0.01010540 -0.01227814 0.00007171
-6.63239677 0.39139370 11.04899144
-0.00087067 -0.00000520 -0.00044743
-0.00774710 0.00792427 -0.00534613
-7.83375953 1.78413582 13.44610534
0.00048520 -0.00104698 0.00084788
-0.02000112 0.00048565 0.00380162
-2.22581019 -16.78447591 13.91513949
-0.00056493 0.00012993 -0.00018706
0.01448713 0.00913056 0.01559996
-4.50179192 -17.62654034 12.56195522
0.00001133 0.00152002 -0.00036051
-0.01954761 -0.02039528 -0.00969455
6.89197827 -6.31682545 -4.32801598
-0.00073422 -0.00000118 -0.00071308
0.00898437 -0.00347184 -0.01583220
5.53371391 -7.99277795 -6.21734827
0.00004623 0.00078543 0.00023399
-0.00282503 -0.00647905 -0.00177256
-2.80044815 -11.50835785 2.26857388
-0.00019601 0.00029346 -0.00017955
-0.00873176 -0.00291180 0.00208783
-0.24505683 -10.26646019 2.51173743
-0.00010975 0.00058228 -0.00085919
0.00559565 0.01238823 0.00329870
-14.67691754 -0.92258004 5.74033293
0.00084557 0.00043001 0.00068596
-0.01987418 -0.00535617 0.00490145
-15.93926006 -1.86367427 3.35082707
0.00032314 -0.00034623 0.00006573
-0.00677115 0.00376468 0.02286178
-9.56622953 4.83387304 -23.26487590
-0.00000662 -0.00018646 -0.00078964
0.00077032 -0.00794368 0.00272476
-8.98119994 4.58649135 -20.35718406
0.00008112 -0.00028479 0.00011460
-0.00256013 -0.01761461 -0.02867853
1.74470409 1.20546212 -3.16095411
0.00023549 -0.00044489 -0.00062705
0.02586863 0.00429865 0.03143770
0.71258056 0.45149144 -0.74384145
-0.00041012 -0.00046639 0.00037406
-0.03841772 -0.01816714 0.03271381
13.97773398 9.57315437 3.62775142
0.00107430 -0.00039851 -0.00047554
-0.01310898 -0.00748423 0.00493562
11.38861055 9.18567343 2.54741098
-0.00051061 -0.00100893 -0.00024466
-0.02454929 0.01266469 -0.02826259
5.43982369 -9.15858595 -10.59003276
-0.00007392 -0.00023129 0.00010216
-0.00040471 0.00465935 -0.00541220
-13.02395236 10.41976469 21.21316424
0.00004198 -0.00003183 0.00012094
0.00715480 0.00086373 -0.00302395
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06803827
0.31679171
422.10907297
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864142780
ExchangeOperator: bisection time: 1.967 s
total exchange = -52.3785043079 (a.u.)
total exchange computation time: 3.3434391022 s
-154.2382951593
-931.38447211
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864142780
ExchangeOperator: bisection time: 1.964 s
total exchange = -52.3780691772 (a.u.)
total exchange computation time: 3.3418140411 s
-154.2427191971
Anderson extrapolation: theta=1.3474648430 (1.3474648430)
-931.38470089
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864142780
ExchangeOperator: bisection time: 1.964 s
total exchange = -52.3773895630 (a.u.)
total exchange computation time: 3.3428640366 s
-154.2494997909
Anderson extrapolation: theta=0.0510336821 (0.0510336821)
-931.38483709
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864142780
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.3772812072 (a.u.)
total exchange computation time: 3.3412561417 s
-154.2505464273
Anderson extrapolation: theta=1.8945226766 (1.8945226766)
-931.38484190
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864142780
ExchangeOperator: bisection time: 1.967 s
total exchange = -52.3770548182 (a.u.)
total exchange computation time: 3.3456552029 s
-154.2527123412
Anderson extrapolation: theta=0.2157452069 (0.2157452069)
-931.38484663
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864142780
ExchangeOperator: bisection time: 1.967 s
total exchange = -52.3770012486 (a.u.)
total exchange computation time: 3.3432669640 s
-154.2532122724
Anderson extrapolation: theta=1.8838516080 (1.8838516080)
-931.38484746
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864142780
ExchangeOperator: bisection time: 1.966 s
total exchange = -52.3769201881 (a.u.)
total exchange computation time: 3.3410708904 s
-154.2539613552
Anderson extrapolation: theta=0.2861632727 (0.2861632727)
-931.38484842
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864142780
ExchangeOperator: bisection time: 1.967 s
total exchange = -52.3769170073 (a.u.)
total exchange computation time: 3.3417541981 s
-154.2539846709
Anderson extrapolation: theta=1.3117722628 (1.3117722628)
-931.38484864
238.261020 32.007090 246.030690
-142.207928 490.078816 -805.280283
96.053092 522.085907 -559.249593
771.077167
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864142780
ExchangeOperator: bisection time: 1.966 s
total exchange = -52.3769274445 (a.u.)
total exchange computation time: 3.3802480698 s
678.90058252
-1083.71359839
89.78855529
-389.14765055
-174.83581020
78.32930782
551.60419304
0.00000000
-931.38484877
-8.79135082 -3.90593430 3.55220741
0.00012310 -0.00017266 0.00038780
0.02538276 0.00646928 -0.02427366
-17.84976266 4.50588147 6.53069835
0.00006502 -0.00032836 -0.00017301
-0.00125393 0.03620494 0.03493873
-15.57878955 -0.89634520 0.52296929
0.00011853 -0.00007794 -0.00026815
-0.03084536 -0.01891563 -0.02004866
3.37797646 -20.69259326 15.62494093
-0.00029310 0.00014976 -0.00019314
-0.02381670 0.03038610 -0.00430260
7.52885798 15.95836187 -1.33827303
0.00030179 0.00022244 0.00002459
0.00775122 -0.01683060 -0.01829547
-9.80887455 9.57692680 11.12404353
-0.00010109 -0.00035077 -0.00007172
-0.01125347 0.02069973 -0.00452948
-8.21545687 -0.53585413 -14.21738094
-0.00020467 0.00021322 -0.00017138
0.01986513 0.02111466 0.02596367
-10.82725377 2.28001174 -7.10694919
0.00011699 0.00030388 0.00032165
0.02604000 0.03541566 0.00784822
-0.25149362 -5.74640913 15.20539905
-0.00011182 0.00002803 0.00038554
-0.00188387 0.00057060 -0.01342682
-25.52192680 -0.63478472 -20.74943871
-0.00038992 -0.00011101 0.00017209
-0.00710792 0.00493037 -0.02707394
8.86090696 7.50133417 7.85651882
-0.00004503 -0.00005251 0.00004222
0.01036395 0.01011864 -0.00560168
20.77566582 28.75308139 -4.96219735
0.00007700 -0.00011640 -0.00024919
-0.00967728 0.00117252 0.01834842
7.76790412 -1.56848867 -7.21837822
0.00001533 -0.00001615 -0.00008558
-0.04094682 0.01196793 0.00536081
-9.34311713 -3.52857302 13.40520272
0.00020864 0.00004718 0.00046315
-0.01053919 0.03161731 -0.03590479
-1.30472503 -22.76499132 13.90909993
0.00007237 0.00001316 0.00012717
-0.00136178 0.02727532 -0.00762782
-11.08653838 -8.68131216 -8.22229673
0.00003454 0.00021751 0.00026503
0.03654050 0.04269313 -0.04179732
-15.91495286 -8.55935715 -15.52282452
0.00005211 -0.00012374 0.00007690
-0.00443498 0.03662587 0.00381334
16.62978970 12.67023929 3.56366639
0.00037018 0.00010831 0.00017504
0.00224007 -0.00333921 -0.00817750
20.23933176 -4.58577118 -14.73453588
-0.00026651 -0.00016828 0.00003150
-0.01069578 -0.01303895 -0.00070224
-0.52000913 8.14229872 -14.87525035
0.00033968 0.00004876 -0.00010176
-0.00841307 0.02605630 0.01234762
0.74546785 -0.76675151 -16.84130452
-0.00009011 0.00032494 -0.00033103
-0.01826082 0.01279769 0.00886494
11.73916035 21.00164306 -23.16466028
0.00028915 -0.00014281 -0.00009226
0.02151456 0.05190585 0.03226944
-11.28470782 15.22902909 -16.17659958
0.00000202 0.00011777 -0.00034565
0.02334985 0.00220728 0.02494378
4.42049516 17.58971748 10.84690767
0.00024232 0.00018492 -0.00028624
0.04944288 -0.04737129 0.00028734
-2.14188996 -11.09528635 -3.55737286
-0.00015521 0.00006002 0.00019520
0.08503620 -0.03319233 0.02008522
1.22028476 -8.10102847 3.73429626
-0.00002287 -0.00016999 0.00008118
-0.00011584 0.01785011 0.01384990
9.61426782 1.91297732 8.18526955
0.00001985 0.00030838 0.00020132
-0.00327539 -0.02678899 0.00431012
-6.92367071 -9.35826819 -3.02069655
-0.00014498 0.00029642 -0.00011797
-0.00693734 0.02360898 -0.03070730
3.90923948 -12.44180144 -12.99216038
-0.00012325 0.00037748 -0.00024507
0.00585786 -0.00920283 0.00442550
1.17515309 -4.59945628 -0.95592438
0.00012770 0.00019164 0.00012075
0.00131428 0.03078282 -0.02821484
16.96614944 4.47371616 27.19418213
0.00037337 0.00024849 -0.00033827
0.00368130 -0.00927771 -0.00356906
-9.61237641 6.09195011 -4.46567972
-0.00014774 -0.00012162 0.00012657
0.00103355 -0.01070028 0.01218815
-4.97004953 14.92927937 -9.20536519
0.00038378 0.00002017 -0.00020385
0.00010080 -0.00050279 0.00390273
3.03857455 12.18138091 -6.85112307
-0.00007405 0.00004016 -0.00010278
-0.02854773 -0.00614594 0.01202431
-4.21969090 11.88748119 -13.76461929
0.00028152 0.00008896 0.00000445
0.00991539 -0.03359980 0.00129416
3.85441102 7.22592905 17.38747327
0.00009106 0.00011761 -0.00019824
-0.01645191 0.00565113 -0.00403933
-15.28037708 8.74902989 -9.07425101
-0.00051068 -0.00022191 0.00004011
-0.00629479 0.00376558 -0.00756348
3.74208892 9.24587040 0.49230866
-0.00007114 -0.00016282 0.00015062
-0.00764088 0.00072764 0.00412355
15.81297278 -24.02321348 -26.65890781
0.00024441 -0.00005783 0.00003659
-0.01735287 0.00132096 -0.02810112
5.77046551 4.19965329 0.13959575
-0.00013765 -0.00013610 0.00021794
-0.00597658 -0.01072785 -0.01185868
17.13151599 -5.28599754 0.35149866
0.00032035 -0.00000534 -0.00023343
0.01031388 0.00102398 0.03453708
-4.62474871 2.48443365 -2.60063938
-0.00044206 -0.00024432 0.00041891
-0.04120494 0.00813131 0.01844078
0.89736643 2.41357121 -11.87699083
-0.00030151 0.00017773 0.00001755
-0.04276764 -0.00795354 -0.01224791
15.46301013 8.92466626 -7.43118774
-0.00031922 -0.00033661 0.00020875
0.04280816 0.00937222 0.00608902
-6.35528162 0.96108288 12.76960572
-0.00039349 0.00017776 0.00021477
0.03228021 -0.00519819 -0.01099713
-3.50619091 -16.16588445 12.80893596
-0.00017264 -0.00023230 0.00037342
0.00936360 0.02010593 -0.01909977
7.05179515 -6.94262145 -6.12238700
0.00008155 0.00030111 -0.00042089
-0.00841161 0.01730727 0.02023501
-1.12594149 -11.56045298 1.53310014
0.00010579 -0.00018434 -0.00041968
-0.00593397 -0.01545070 -0.01177509
-16.25976583 -1.77778078 5.25612436
0.00030451 -0.00002854 0.00040837
0.02932651 0.00539929 -0.01576092
-9.11207428 3.56342537 -21.98819357
-0.00026114 -0.00035226 -0.00041035
0.00471764 0.03353504 0.03009821
2.17499282 1.23006827 -1.28482827
-0.00017523 -0.00016076 -0.00005700
-0.00200742 0.00476790 -0.06959825
12.44257528 8.54381841 3.82197370
0.00017099 -0.00015410 -0.00007289
0.03848634 -0.00260436 0.01638398
-7.38230915 -4.13096962 2.31235687
-0.00101009 -0.00041284 0.00110013
0.00507233 -0.00940729 0.02152312
-9.95895409 -3.49031286 2.21932377
-0.00003591 -0.00148724 -0.00059092
-0.02126179 0.01183817 -0.00057026
-16.66286924 5.91596425 6.99379471
0.00046990 -0.00010538 0.00007567
-0.01222999 -0.02531775 -0.01431880
-17.18596311 3.59125888 5.16567627
-0.00038295 -0.00025156 -0.00047316
0.01545476 -0.00803925 -0.02229634
-16.27211727 0.80137424 0.52007381
-0.00122857 0.00048598 -0.00039988
0.01317023 0.01363745 0.00874028
-17.08949836 -1.70172374 -0.26409028
0.00123564 0.00063803 0.00043483
0.02201857 -0.00033824 0.00320006
1.66760765 -20.82863757 14.93981210
-0.00094624 -0.00009108 -0.00031928
0.00175949 -0.02388123 -0.00119373
3.34887523 -18.83964121 15.72278431
-0.00067137 -0.00021022 0.00039803
0.02130502 -0.00634473 0.00890292
8.28792617 14.25368283 -1.24657700
-0.00032099 -0.00048551 0.00030893
-0.00269735 0.00079241 -0.00149528
7.45613645 16.45005541 0.35713373
-0.00059366 -0.00066148 -0.00006217
-0.00402142 0.01362430 0.02683640
-8.43223277 9.38882539 12.39981749
-0.00038297 0.00102183 -0.00012050
-0.01216184 -0.00263535 -0.00321437
-10.63732858 11.21772623 11.58739869
-0.00043213 0.00013399 -0.00023925
0.01418607 -0.02647351 0.00048300
-9.86277904 0.13755313 -14.52970051
-0.00099332 0.00074206 -0.00054612
-0.01813527 0.01527551 0.00686097
-8.23583682 -2.00934734 -15.16462493
0.00047527 -0.00023394 -0.00064283
0.00500951 -0.03578654 -0.02887985
-12.19504179 1.14241887 -7.05650260
-0.00022925 -0.00030023 0.00005375
-0.01925645 -0.01575642 0.00760668
-10.88218663 3.68147727 -5.77806396
-0.00110667 0.00020016 0.00042722
0.00153576 -0.02605878 -0.02608517
-1.94210254 -6.16037325 14.59735883
-0.00054737 -0.00065338 0.00015549
-0.00209416 -0.00321024 -0.00253869
-0.36039046 -5.67129027 16.99678828
-0.00021450 0.00020636 -0.00038021
0.00069186 -0.00099359 0.01999194
-24.93495723 -0.54252788 -19.06599606
-0.00013598 0.00009977 -0.00071189
0.01467982 0.00611185 0.01719092
-25.60319738 1.03379913 -21.56056874
0.00008892 -0.00099318 -0.00018444
-0.00004452 -0.01126557 0.00120360
9.51097596 8.74726182 6.65835743
0.00020907 -0.00003281 -0.00073194
-0.00320424 -0.01346030 -0.00443851
10.10271015 7.82906513 9.18688412
0.00002142 0.00046360 0.00016689
-0.00156244 -0.00461320 0.00626777
19.76352666 27.47369495 -4.05122892
-0.00011877 -0.00000265 0.00044584
0.00740757 0.00691825 -0.00369614
20.13475745 30.49197663 -4.31898957
0.00036162 -0.00026741 -0.00033969
0.01030273 -0.01814008 -0.01202553
6.10359867 -0.62537561 -6.92145254
-0.00106407 -0.00064569 -0.00033166
0.03659210 -0.01636948 -0.00908150
7.22288124 -3.33371074 -7.20226534
0.00074334 0.00038649 0.00018273
0.00275016 0.00161453 0.00122026
-8.73117253 -2.19600068 12.18176354
-0.00042266 0.00060794 -0.00009250
-0.00472360 -0.02689256 0.02132159
-11.14661601 -3.02112059 13.41653780
0.00073352 -0.00058492 -0.00088345
0.01220543 -0.00699187 0.01034432
-1.36883772 -24.22322862 14.94980584
0.00059458 0.00035077 0.00046524
0.00263168 -0.02055543 0.00645156
-3.02012523 -22.14224072 13.72677167
0.00037172 0.00012945 0.00110905
-0.00717027 -0.00387598 0.00296508
-12.31229888 -7.90560295 -7.05215374
-0.00039948 -0.00127484 -0.00022071
-0.00669800 0.00174480 -0.00755140
-10.29467428 -7.23258542 -9.35257265
-0.00000838 -0.00052999 0.00079296
-0.03015371 -0.04059801 0.04933004
-16.21291972 -10.26339093 -15.82925889
0.00010535 0.00075587 -0.00061169
-0.00374736 -0.04029585 0.00018495
-14.24450047 -8.12690474 -16.18098942
0.00007052 -0.00024180 -0.00011839
0.00333284 0.00313178 -0.00135430
17.04812152 12.74672434 5.35787606
0.00075170 0.00047360 -0.00021679
0.00056985 0.00106405 0.00098121
17.36021544 14.12961602 2.72661398
-0.00009992 0.00084860 -0.00022222
-0.00462845 0.00062948 0.00664239
18.46589124 -4.24013762 -15.04281879
-0.00030950 -0.00027974 0.00003356
0.01126164 0.00063775 0.00007504
21.20898399 -3.16555404 -15.38024218
-0.00071859 0.00155677 -0.00041907
0.00244078 0.00794191 -0.00404586
-1.45089294 7.26740179 -13.58473359
0.00103603 -0.00071037 0.00051435
0.00278445 -0.01426597 -0.00043326
0.12063421 6.99258884 -16.08707626
-0.00009544 0.00033502 -0.00128472
0.00118629 -0.01865523 -0.00991436
0.84467245 0.53189546 -15.52645415
-0.00031173 0.00009124 -0.00021603
0.00226287 -0.00415973 -0.00234279
2.46981658 -1.02288161 -17.34941085
-0.00100519 0.00021159 0.00049191
0.01446975 -0.00276492 0.00342816
12.13399255 22.80329601 -22.34019350
0.00053972 -0.00052775 0.00055531
-0.00027515 -0.04589111 -0.02532275
9.94006328 21.20633827 -23.12386518
0.00089598 -0.00017433 -0.00018640
-0.01849945 -0.01178000 -0.00721847
-9.84979512 16.15694402 -17.10757154
-0.00007977 -0.00039513 -0.00007390
-0.02490766 -0.01044711 0.00667465
-10.79872908 15.21141721 -14.37441936
-0.00000372 0.00095496 -0.00072022
-0.00668194 -0.00115275 -0.02507778
3.08319998 18.53522323 11.37725546
0.00122374 0.00009895 -0.00011654
-0.04753817 0.03441383 0.01197953
4.90651404 18.00102626 9.16917439
-0.00019548 0.00077414 -0.00049031
-0.00240992 0.00908540 -0.01550888
-3.68983408 -10.44055682 -3.19959222
-0.00051709 -0.00023565 -0.00096045
-0.06733766 0.02751297 0.01160603
-1.33830739 -11.37612197 -1.80636352
0.00052769 -0.00067134 -0.00060503
-0.01665867 0.01054630 -0.02573913
0.12697046 -7.06401288 4.84490403
-0.00004386 -0.00095573 0.00025678
0.01404095 -0.00758250 -0.00402000
2.85002194 -8.35135943 4.57249982
0.00056140 -0.00063187 0.00131999
-0.00526295 0.00751935 0.00280330
8.19520498 1.98270110 9.31488643
-0.00117505 -0.00031229 -0.00094737
-0.00031272 -0.00099759 0.00214394
9.65553011 3.51852207 7.42047562
0.00039449 0.00038100 0.00050700
-0.00020474 0.03159408 -0.01026155
-7.98683993 -8.78568664 -4.47000534
0.00026154 0.00076005 -0.00003813
0.01560255 -0.00696481 0.02076024
-8.10009638 -10.17301827 -1.94606496
0.00122137 -0.00001333 0.00023200
-0.01756388 -0.01190750 0.01363455
4.89720155 -13.63838005 -11.93177517
-0.00023097 -0.00015596 0.00009577
-0.01375106 0.01194310 -0.01502048
2.38467199 -13.18824289 -13.72600951
0.00036307 0.00007564 -0.00043376
0.00385178 -0.00217694 0.00964366
1.34873049 -6.03248348 0.06278454
0.00000697 -0.00035911 0.00075746
-0.00007346 -0.02472776 0.02367569
-0.15814537 -3.57534175 -0.25686521
-0.00010952 -0.00014136 -0.00022187
-0.00319107 -0.00613340 0.00514201
17.50683001 3.43492018 25.77929777
-0.00002946 -0.00047364 -0.00022709
-0.00317235 0.00597605 0.00712091
16.54548058 3.23836017 28.47756506
0.00023688 -0.00037795 0.00085706
-0.00228148 0.00166059 -0.00263721
-10.83477190 7.30083514 -4.00556960
-0.00000309 -0.00053217 0.00100064
-0.02821173 0.01851096 0.01557154
-8.52840776 7.14882162 -5.48030105
0.00101958 -0.00063902 0.00030872
0.01920256 0.00457039 -0.01199707
-6.40744059 16.05710771 -9.15888749
-0.00013289 -0.00033441 0.00004789
0.00195548 -0.00006827 -0.00050939
-4.80367774 14.27812954 -10.91401383
-0.00018791 0.00032624 -0.00061576
0.00239330 -0.00017799 0.00042006
2.81986701 10.64012230 -5.77075525
-0.00042235 0.00042591 0.00083194
0.00471950 0.02402837 -0.01872481
1.39858554 13.13228812 -6.89281649
-0.00048787 0.00004153 -0.00045697
0.02228717 -0.01041498 0.00428386
-2.65512774 10.92759041 -14.23637960
-0.00050040 0.00090583 0.00026370
-0.01360722 0.01709566 0.00330329
-5.32691959 10.44486838 -13.36314899
0.00043528 0.00042587 0.00049741
0.00030836 0.01680529 -0.00165838
4.25551509 7.87637979 19.07269764
0.00097655 -0.00034238 0.00034632
-0.00352926 -0.00545334 -0.00218741
1.97210806 7.08440150 17.32310869
-0.00021516 -0.00048502 0.00040373
0.01075873 -0.00372876 0.00718000
-13.47695271 8.73125308 -8.80677998
0.00096028 0.00010753 -0.00097921
-0.00254871 -0.00558152 0.00718262
-16.28869456 8.33268556 -7.59208996
-0.00046781 0.00060278 -0.00035643
0.01265593 -0.00195176 0.00564509
5.29587177 10.33009679 0.25502831
0.00048583 0.00127594 0.00054680
-0.02800282 -0.00863741 0.01483216
2.16567741 9.76560657 1.46731445
-0.00024004 0.00175186 -0.00046164
0.04110990 -0.00266871 -0.02521288
14.34006595 -23.85502390 -25.56533722
-0.00007422 0.00035813 -0.00020161
-0.00593901 -0.00187634 0.00588129
14.94990653 -23.97621309 -28.35592989
-0.00014694 -0.00114944 -0.00065430
0.01642942 -0.00452472 0.02586330
4.46641243 3.40824221 -0.93006119
-0.00097441 -0.00020906 0.00029769
0.00938183 0.00699283 0.01005326
4.97311155 5.80491767 0.44728472
0.00084556 0.00042287 0.00126903
0.00182803 0.01488377 0.00942425
17.14041111 -3.67603792 -0.43416995
0.00103926 0.00050108 -0.00031435
0.00605078 0.01403433 -0.01308897
16.53523728 -6.54025079 -0.75179701
-0.00099673 0.00063887 -0.00011410
-0.01448494 -0.01707566 -0.03001244
-6.32177085 2.85907465 -1.68468167
0.00017899 -0.00051965 -0.00077007
0.04188426 -0.00122115 -0.01801068
-5.18589782 1.03395702 -3.65984700
0.00051177 0.00110350 -0.00043927
0.00825922 0.00220055 0.00456679
2.50202892 2.88695296 -11.31983996
-0.00029032 -0.00028797 0.00009154
0.02687488 0.00578194 0.00993913
-0.07766456 1.64741605 -10.49901406
0.00178660 0.00020654 -0.00044196
0.01726544 -0.00096146 -0.01154313
17.06648250 7.85046426 -7.82604694
0.00051802 0.00145042 0.00076571
-0.02721234 0.00920801 -0.00342882
16.20506013 10.60059593 -7.11359161
-0.00018207 -0.00024402 0.00042544
-0.01157922 -0.01284444 0.00017941
-6.64569414 0.39155845 11.04211610
-0.00090072 0.00003090 -0.00045851
-0.00696477 0.00974727 -0.00007408
-7.82709450 1.76844599 13.45894009
0.00039128 -0.00103749 0.00086844
-0.02597256 0.00416161 0.00626127
-2.23384024 -16.78224723 13.91281154
-0.00049802 0.00016192 -0.00011672
0.01826599 0.00653148 0.01883521
-4.50222093 -17.60436496 12.55625051
-0.00008218 0.00141670 -0.00040323
-0.02622549 -0.03018071 -0.01121888
6.88124021 -6.31694959 -4.33919728
-0.00069527 -0.00001299 -0.00077384
0.01008317 -0.00230903 -0.01391299
5.53432079 -7.98119499 -6.21389270
0.00003140 0.00075586 0.00022416
-0.00443228 -0.00799557 -0.00304072
-2.80365591 -11.50404523 2.26594454
-0.00022637 0.00028141 -0.00017348
-0.00612722 -0.00298302 0.00088822
-0.24653161 -10.25734635 2.49895070
-0.00008818 0.00063042 -0.00084689
0.00496200 0.01117631 0.00272259
-14.66484292 -0.91629396 5.75077256
0.00075646 0.00040360 0.00070222
-0.02374597 -0.00757328 0.00305804
-15.93462044 -1.86875237 3.35251355
0.00029551 -0.00032979 0.00016239
-0.00675586 0.00428490 0.02445298
-9.56630522 4.83083275 -23.27663700
-0.00000242 -0.00022141 -0.00077541
0.00128416 -0.00916699 0.00423994
-8.98006157 4.58167978 -20.35634393
0.00006990 -0.00035871 -0.00000746
-0.00293404 -0.01857172 -0.03107034
1.74902918 1.19892046 -3.16939652
0.00034076 -0.00042779 -0.00049369
0.02565957 0.00407091 0.03384415
0.70525154 0.44393883 -0.73722815
-0.00055706 -0.00053529 0.00050252
-0.03351178 -0.01555676 0.03017206
13.99344685 9.56694739 3.62076957
0.00101186 -0.00043283 -0.00045570
-0.01745691 -0.00931741 0.00477497
11.38019914 9.17092754 2.54287497
-0.00060586 -0.00095819 -0.00035651
-0.02207658 0.01217472 -0.02648829
5.43871386 -9.16204278 -10.58851496
-0.00007408 -0.00022961 0.00010022
-0.00051399 0.00474827 -0.00542108
-13.02331020 10.41928871 21.21497302
0.00004361 -0.00003163 0.00012025
0.00687702 0.00089903 -0.00284382
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06801501
0.31683375
422.16509298
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864142780
ExchangeOperator: bisection time: 1.965 s
total exchange = -52.3747625077 (a.u.)
total exchange computation time: 3.3405888081 s
-154.2227072867
-931.38452784
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864142780
ExchangeOperator: bisection time: 1.967 s
total exchange = -52.3743740326 (a.u.)
total exchange computation time: 3.3425011635 s
-154.2267963440
Anderson extrapolation: theta=1.3460442060 (1.3460442060)
-931.38476080
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864142780
ExchangeOperator: bisection time: 1.966 s
total exchange = -52.3737614594 (a.u.)
total exchange computation time: 3.3438351154 s
-154.2330897076
Anderson extrapolation: theta=0.0507218203 (0.0507218203)
-931.38489937
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864142780
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.3736591189 (a.u.)
total exchange computation time: 3.3439621925 s
-154.2340902703
Anderson extrapolation: theta=1.8871548159 (1.8871548159)
-931.38490426
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864142780
ExchangeOperator: bisection time: 1.967 s
total exchange = -52.3734450832 (a.u.)
total exchange computation time: 3.3455171585 s
-154.2361600047
Anderson extrapolation: theta=0.2156344089 (0.2156344089)
-931.38490912
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864142780
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.3733940743 (a.u.)
total exchange computation time: 3.3415179253 s
-154.2366402725
Anderson extrapolation: theta=1.8851986846 (1.8851986846)
-931.38490999
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864142780
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.3733172081 (a.u.)
total exchange computation time: 3.3415720463 s
-154.2373579123
Anderson extrapolation: theta=0.2866875172 (0.2866875172)
-931.38491102
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864142780
ExchangeOperator: bisection time: 1.966 s
total exchange = -52.3733146726 (a.u.)
total exchange computation time: 3.3423950672 s
-154.2373770570
Anderson extrapolation: theta=1.3086341427 (1.3086341427)
-931.38491126
238.258036 32.033072 245.994290
-142.214099 490.094086 -805.318826
96.043937 522.127157 -559.324536
771.158312
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1864142780
ExchangeOperator: bisection time: 1.967 s
total exchange = -52.3733256080 (a.u.)
total exchange computation time: 3.3778309822 s
678.84051141
-1083.59021865
89.79666151
-389.23252313
-174.82601695
78.25958980
551.60419304
0.00000000
-931.38491142
-8.78940638 -3.90849919 3.55793073
0.00013402 -0.00016890 0.00037550
0.01708953 0.00815593 -0.02354075
-17.84879225 4.50109570 6.52823796
0.00006480 -0.00030946 -0.00015498
0.00042725 0.03729178 0.03517690
-15.57713052 -0.89758724 0.51886977
0.00010374 -0.00008473 -0.00027732
-0.02667041 -0.00748300 -0.01561505
3.37348813 -20.69022970 15.62202721
-0.00030642 0.00016458 -0.00019576
-0.02799105 0.02724017 -0.00586433
7.53341466 15.96163357 -1.33797468
0.00030608 0.00021302 0.00001472
0.00896114 -0.01982413 -0.02011328
-9.81043434 9.57174510 11.12295024
-0.00010757 -0.00033922 -0.00007405
-0.01393028 0.02422114 -0.00450751
-8.21845023 -0.53257432 -14.21985142
-0.00019614 0.00022340 -0.00015917
0.01330493 0.01843816 0.02147992
-10.82539844 2.28470649 -7.10209412
0.00012889 0.00032096 0.00032582
0.02021760 0.03103088 0.00834160
-0.25317823 -5.74598651 15.21113038
-0.00011375 0.00002795 0.00037668
-0.00561424 -0.00086052 -0.02104490
-25.52780296 -0.63643085 -20.74696181
-0.00039403 -0.00010958 0.00015722
-0.00890828 0.00064187 -0.03074942
8.86027153 7.50058556 7.85713056
-0.00003911 -0.00004656 0.00003891
0.01262618 0.01300113 -0.00728733
20.77678351 28.75133991 -4.96586441
0.00007181 -0.00011639 -0.00023946
-0.01051795 -0.00113838 0.01949512
7.76797612 -1.56868480 -7.21964121
-0.00000615 -0.00000872 -0.00008276
-0.04258208 0.01694273 0.00560761
-9.34002822 -3.52774336 13.41201151
0.00020440 0.00006370 0.00044401
-0.00595718 0.03263728 -0.03854868
-1.30364472 -22.76468870 13.91097807
0.00007230 0.00002704 0.00012329
0.00108682 0.02671457 -0.00745705
-11.08587928 -8.67788477 -8.21848253
0.00005374 0.00023798 0.00024337
0.03811335 0.03689548 -0.04241678
-15.91418838 -8.56107197 -15.52165626
0.00005031 -0.00010336 0.00007908
-0.00256332 0.04264053 0.00464069
16.63535103 12.67185103 3.56626039
0.00037168 0.00010746 0.00016988
0.00360045 0.00002428 -0.01185465
20.23529285 -4.58834564 -14.73406609
-0.00027085 -0.00017301 0.00003027
-0.00617128 -0.00535045 -0.00409992
-0.51494646 8.14313066 -14.87672906
0.00033528 0.00006102 -0.00009553
-0.00866622 0.02161335 0.01186998
0.74404575 -0.76182798 -16.84623578
-0.00010155 0.00033174 -0.00032589
-0.02620551 0.01364187 0.01111960
11.74358053 20.99970111 -23.16591975
0.00030139 -0.00011650 -0.00007562
0.02609691 0.05040168 0.03244291
-11.28458748 15.23080415 -16.18168814
0.00001349 0.00011866 -0.00033319
0.02124854 0.00124033 0.02352619
4.42432070 17.59230862 10.84261514
0.00026919 0.00015974 -0.00028731
0.05503921 -0.05056012 -0.00444123
-2.14389010 -11.09451411 -3.55436745
-0.00011178 0.00004297 0.00020480
0.08386128 -0.03308792 0.01724378
1.21994121 -8.10350940 3.73556741
-0.00002085 -0.00016140 0.00008893
0.00799249 0.01554749 0.01629642
9.61455300 1.91749974 8.18830595
0.00001786 0.00029460 0.00020374
-0.00449317 -0.02682954 0.00510402
-6.92587220 -9.35373089 -3.02258451
-0.00014737 0.00030904 -0.00013418
-0.00234872 0.02549613 -0.03233649
3.90741331 -12.43617477 -12.99581931
-0.00011959 0.00037232 -0.00024224
0.00837597 -0.01086862 0.00656500
1.17707370 -4.59646292 -0.95422191
0.00012881 0.00020557 0.00010736
0.00297445 0.02339567 -0.02387487
16.97176414 4.47740777 27.18909433
0.00037481 0.00024192 -0.00033861
0.00191122 -0.01626577 0.00224553
-9.61458848 6.09008461 -4.46373409
-0.00014667 -0.00012708 0.00013261
0.00310367 -0.01054428 0.01128761
-4.96429244 14.92958000 -9.20840793
0.00038344 0.00001998 -0.00020229
-0.00143750 -0.00025532 0.00217000
3.03735363 12.18195965 -6.85261846
-0.00008925 0.00003702 -0.00009636
-0.03054884 -0.00608536 0.01296011
-4.21542980 11.88868598 -13.76454754
0.00028538 0.00007298 0.00000554
0.00507442 -0.02852439 0.00292259
3.85571339 7.22771496 17.38448402
0.00008241 0.00012070 -0.00019948
-0.01718029 0.00639249 -0.00074845
-15.28806158 8.74571575 -9.07367851
-0.00051095 -0.00021967 0.00003538
0.00524969 0.00494462 -0.01083077
3.74099233 9.24343094 0.49458383
-0.00007395 -0.00016083 0.00015294
-0.00327016 0.00701500 0.00491809
15.81657193 -24.02407585 -26.65846728
0.00023480 -0.00005724 0.00002138
-0.01998646 0.00096760 -0.03108254
5.76837766 4.19757047 0.14281910
-0.00014138 -0.00014157 0.00021156
-0.00851563 -0.01057619 -0.01295266
17.13636103 -5.28607362 0.34813047
0.00032569 -0.00000393 -0.00021619
0.01043921 0.00442986 0.03248149
-4.63153853 2.48080026 -2.59428466
-0.00046160 -0.00023940 0.00042823
-0.03479333 0.01097974 0.01782258
0.89267884 2.41620648 -11.87677487
-0.00032192 0.00017470 0.00000965
-0.03661306 -0.00384516 -0.01847465
15.45838694 8.91965329 -7.42803302
-0.00029693 -0.00033106 0.00021206
0.04389280 0.01221818 0.00678708
-6.36105948 0.96372916 12.77278491
-0.00037563 0.00017385 0.00020716
0.03716127 -0.01000780 -0.01862552
-3.50874443 -16.16929134 12.81446357
-0.00016700 -0.00021901 0.00036320
0.01257408 0.03155553 -0.02064178
7.05298596 -6.93803810 -6.12862228
0.00007729 0.00030992 -0.00041073
-0.00816656 0.01696016 0.01927635
-1.12437760 -11.56327762 1.52675957
0.00010226 -0.00019184 -0.00042511
-0.00776098 -0.01372990 -0.00934327
-16.25508512 -1.77818807 5.26218907
0.00032035 -0.00002535 0.00040034
0.03230045 0.00700936 -0.01543967
-9.11597318 3.55827079 -21.99423272
-0.00025873 -0.00033463 -0.00039472
0.00467269 0.03502964 0.03069913
2.17235662 1.22767521 -1.28595181
-0.00017767 -0.00015907 -0.00009239
-0.00747023 0.00180126 -0.06798798
12.44528855 8.54149688 3.82094354
0.00019083 -0.00015480 -0.00006513
0.03869064 -0.00013399 0.01379126
-7.39730504 -4.13745054 2.32951832
-0.00097548 -0.00045182 0.00117845
0.01186969 -0.00967371 0.01681659
-9.96014433 -3.51225864 2.21044243
-0.00011864 -0.00143993 -0.00058672
-0.01923506 0.01131922 0.00262787
-16.65619550 5.91360767 6.99449093
0.00041708 -0.00021231 0.00001557
-0.01362695 -0.02702530 -0.01509966
-17.19123371 3.58723913 5.15789561
-0.00032010 -0.00028316 -0.00056309
0.01530835 -0.00742708 -0.02172293
-16.29014229 0.80908186 0.51434340
-0.00116719 0.00052894 -0.00036311
0.01687495 0.00738988 0.00926036
-17.07028909 -1.69216366 -0.25746981
0.00130991 0.00062560 0.00043903
0.01433908 -0.00574635 -0.00114226
1.65346791 -20.83073550 14.93498629
-0.00093083 -0.00018762 -0.00032048
0.00578345 -0.02337667 0.00060738
3.33945760 -18.84298887 15.72902760
-0.00058425 -0.00023111 0.00043423
0.02133787 -0.00388339 0.00881579
8.28302864 14.24642447 -1.24198882
-0.00033352 -0.00047755 0.00030160
-0.00343695 0.00310634 -0.00209383
7.44710838 16.44055066 0.35702347
-0.00061116 -0.00060440 0.00005185
-0.00454620 0.01431730 0.02897907
-8.43834996 9.40407202 12.39791142
-0.00042929 0.00100833 -0.00013144
-0.01051141 -0.00397074 -0.00213625
-10.64337586 11.21892488 11.58382467
-0.00037250 0.00002171 -0.00023904
0.01500483 -0.02848904 -0.00037879
-9.87823462 0.14915208 -14.53768206
-0.00105291 0.00079687 -0.00051586
-0.01103443 0.01155596 0.00795041
-8.22855433 -2.01395301 -15.17515241
0.00049453 -0.00036698 -0.00075325
0.00442257 -0.02933999 -0.02516969
-12.19907060 1.13743263 -7.05546323
-0.00029827 -0.00035687 0.00008402
-0.01452788 -0.01196852 0.00721056
-10.89873966 3.68368117 -5.77245505
-0.00109879 0.00009362 0.00032019
0.00232323 -0.02609478 -0.02630405
-1.95037733 -6.17027237 14.59961338
-0.00054769 -0.00066384 0.00014777
0.00193905 -0.00190984 -0.00123903
-0.36358674 -5.66822534 16.99169773
-0.00021236 0.00020264 -0.00028585
0.00035691 -0.00082632 0.02620081
-24.93654708 -0.54084407 -19.07614758
-0.00007187 0.00012523 -0.00063004
0.01670444 0.00635224 0.02287301
-25.60186489 1.01855621 -21.56329847
0.00008798 -0.00103046 -0.00018324
-0.00041572 -0.00698243 -0.00061503
9.51401379 8.74635723 6.64724232
0.00019350 -0.00009339 -0.00074407
-0.00441511 -0.01619320 -0.00149741
10.10298352 7.83587771 9.18957960
0.00001300 0.00044405 0.00018963
-0.00255835 -0.00495526 0.00486001
19.76197209 27.47386714 -4.04465464
-0.00008595 0.00002839 0.00042814
0.00865785 0.00827876 -0.00496813
20.14049741 30.48740969 -4.32445336
0.00040288 -0.00033932 -0.00038804
0.00989451 -0.01706189 -0.01164406
6.08875885 -0.63556255 -6.92670568
-0.00090939 -0.00071340 -0.00036911
0.03912618 -0.01677336 -0.00925334
7.23411568 -3.32786390 -7.19948693
0.00075270 0.00038464 0.00018767
0.00182713 -0.00252205 0.00119607
-8.73765714 -2.18770568 12.18102942
-0.00044093 0.00049435 -0.00000209
-0.00422163 -0.02870868 0.02293440
-11.13523925 -3.03010861 13.40360302
0.00077337 -0.00061209 -0.00083936
0.00730515 -0.00630904 0.01124077
-1.35983840 -24.21859693 14.95698209
0.00060516 0.00026607 0.00049204
0.00254955 -0.02090750 0.00666726
-3.01476911 -22.14041779 13.74349825
0.00033808 0.00011544 0.00111995
-0.00930023 -0.00298092 0.00237245
-12.31849636 -7.92467201 -7.05569582
-0.00043130 -0.00126254 -0.00024661
-0.00887656 0.00427599 -0.00512737
-10.29572398 -7.24177935 -9.33916656
-0.00012963 -0.00068943 0.00099043
-0.02919729 -0.03744627 0.04732989
-16.21145437 -10.25328773 -15.83842858
0.00008735 0.00057810 -0.00061326
-0.00506253 -0.04672361 -0.00095184
-14.24334052 -8.13043578 -16.18280682
0.00008312 -0.00022828 -0.00012345
0.00283214 0.00348836 -0.00112304
17.05941447 12.75386090 5.35465426
0.00075434 0.00047776 -0.00020916
0.00072287 0.00097538 0.00275610
17.35857477 14.14236432 2.72348428
-0.00012187 0.00084460 -0.00019197
-0.00611260 -0.00258806 0.00816140
18.46159389 -4.24431415 -15.04231308
-0.00026450 -0.00027790 0.00003426
0.01076608 0.00026461 0.00026870
21.19827991 -3.14195911 -15.38665223
-0.00071627 0.00157411 -0.00042935
-0.00130388 0.00054452 -0.00098576
-1.43526723 7.25630913 -13.57703164
0.00105104 -0.00076500 0.00050676
0.00456358 -0.01247464 -0.00327937
0.11923892 6.99704254 -16.10665087
-0.00009414 0.00026461 -0.00131871
-0.00055001 -0.01581215 -0.00672638
0.84006588 0.53313662 -15.52976644
-0.00030272 0.00007558 -0.00022465
0.00214727 -0.00350881 -0.00187408
2.45518214 -1.01979250 -17.34192718
-0.00092980 0.00019712 0.00050045
0.02243175 -0.00431765 0.00075094
12.14207990 22.79397359 -22.33263980
0.00053828 -0.00071370 0.00045130
-0.00043130 -0.04513318 -0.02559237
9.95293608 21.20336236 -23.12688237
0.00081115 -0.00022114 -0.00021592
-0.02302659 -0.01113598 -0.00723056
-9.85175488 16.15069700 -17.10847545
-0.00017884 -0.00043604 -0.00004892
-0.02359059 -0.00958239 0.00555288
-10.79898959 15.22570636 -14.38599115
-0.00003022 0.00094956 -0.00081652
-0.00629153 -0.00149220 -0.02206236
3.10009937 18.53776200 11.37587440
0.00101856 0.00024756 -0.00006188
-0.05290101 0.03833144 0.01477926
4.90350799 18.01291672 9.16134451
-0.00020571 0.00080973 -0.00054977
-0.00259740 0.00833493 -0.01359842
-3.69965391 -10.44324847 -3.21364337
-0.00078808 -0.00012480 -0.00091167
-0.06531240 0.02674734 0.01227131
-1.33090250 -11.38586885 -1.81622770
0.00045753 -0.00062671 -0.00070600
-0.01768493 0.01130080 -0.02368742
0.12674274 -7.07858123 4.84863256
0.00001030 -0.00098346 0.00024282
0.01247177 -0.00599117 -0.00281351
2.85828165 -8.36060709 4.59238564
0.00052659 -0.00059917 0.00132367
-0.01177603 0.00848717 -0.00100201
8.17756967 1.97798620 9.30074161
-0.00117364 -0.00031621 -0.00094078
0.00100116 -0.00092052 0.00108183
9.66144112 3.52520525 7.42776625
0.00039346 0.00051013 0.00046544
-0.00029753 0.03161470 -0.01008366
-7.98243876 -8.77449924 -4.46994109
0.00032220 0.00073103 0.00004636
0.01409338 -0.00724226 0.02059554
-8.08231402 -10.17358307 -1.94216709
0.00114319 -0.00006535 0.00029114
-0.02070790 -0.01355580 0.01531043
4.89331561 -13.64035354 -11.93079891
-0.00028914 -0.00010311 0.00003175
-0.01472414 0.01393144 -0.01631683
2.39023606 -13.18717507 -13.73222042
0.00037572 0.00006598 -0.00039605
0.00233927 -0.00254711 0.00881661
1.34883280 -6.03862792 0.07487190
0.00000496 -0.00044649 0.00084455
-0.00091203 -0.01804289 0.01895868
-0.15988599 -3.57765004 -0.26003569
-0.00012430 -0.00016519 -0.00019997
-0.00404273 -0.00553263 0.00557945
17.50629086 3.42799871 25.77610956
-0.00004319 -0.00044786 -0.00019614
-0.00354808 0.00664293 0.00803348
16.54896384 3.23274187 28.49034018
0.00023196 -0.00035832 0.00083252
-0.00012826 0.00794426 -0.00937477
-10.83568279 7.29341986 -3.99008285
-0.00011720 -0.00045428 0.00106292
-0.02764260 0.01961573 0.01491676
-8.51252571 7.13937643 -5.47603792
0.00109206 -0.00062188 0.00026347
0.01628125 0.00381714 -0.01015143
-6.40937405 16.05208940 -9.15818476
-0.00012242 -0.00033582 0.00004630
0.00317252 -0.00062128 -0.00027072
-4.80642299 14.28301774 -10.92323740
-0.00017743 0.00032623 -0.00061086
0.00273444 0.00017253 0.00198030
2.81367638 10.64724719 -5.75885000
-0.00040222 0.00052515 0.00075353
0.00513679 0.02455271 -0.01965493
1.39195037 13.13259192 -6.89953971
-0.00039339 -0.00000218 -0.00043918
0.02396382 -0.01097906 0.00442072
-2.66305078 10.94170169 -14.23232283
-0.00054408 0.00096804 0.00027395
-0.00777053 0.01335931 0.00171195
-5.32038094 10.45177143 -13.35573862
0.00043466 0.00049148 0.00049090
-0.00061091 0.01531013 -0.00153164
4.27005522 7.87107705 19.07782537
0.00095951 -0.00036708 0.00033050
-0.00481032 -0.00664076 -0.00555432
1.96921040 7.07701187 17.32938465
-0.00016730 -0.00049914 0.00043338
0.01266910 -0.00318311 0.00733262
-13.46262654 8.73269494 -8.82124810
0.00092955 0.00008428 -0.00095089
-0.01249382 -0.00579659 0.00668053
-16.29532387 8.34166748 -7.59726344
-0.00041879 0.00059254 -0.00032591
0.01133985 -0.00306175 0.00929502
5.30230109 10.34897125 0.26368475
0.00036219 0.00123132 0.00060667
-0.03252024 -0.01320600 0.01447640
2.16333654 9.79180272 1.45961725
-0.00007098 0.00173676 -0.00056553
0.04164470 -0.00472406 -0.02564357
14.33877059 -23.84970946 -25.56818110
-0.00009636 0.00035039 -0.00017885
-0.00489639 -0.00190939 0.00525762
14.94820590 -23.99359330 -28.36495190
-0.00007635 -0.00116743 -0.00054133
0.01812653 -0.00428296 0.02943817
4.45208374 3.40532056 -0.92528782
-0.00093227 -0.00017554 0.00034286
0.01124656 0.00941843 0.01205736
4.98585089 5.81171678 0.46660898
0.00085342 0.00047862 0.00130541
0.00202329 0.01240700 0.00838558
17.15618538 -3.66809171 -0.43928633
0.00106308 0.00055006 -0.00036292
0.00560928 0.00994381 -0.01068617
16.51984248 -6.53119095 -0.75442819
-0.00105559 0.00056941 -0.00023679
-0.01432939 -0.01692940 -0.03004542
-6.31780255 2.85124243 -1.69678459
0.00034046 -0.00052247 -0.00083763
0.03715545 -0.00015708 -0.01506231
-5.17796814 1.05057698 -3.66629613
0.00054233 0.00110464 -0.00042563
0.00669882 -0.00164545 0.00211103
2.49849758 2.88281056 -11.31816226
-0.00017915 -0.00026355 0.00013016
0.02754725 0.00617344 0.00896286
-0.05033643 1.65048470 -10.50599711
0.00184263 0.00019354 -0.00047452
0.01015712 -0.00540176 -0.00439545
17.07341899 7.87250266 -7.81466635
0.00040690 0.00148266 0.00075021
-0.02718276 0.00657775 -0.00415899
16.20197421 10.59654203 -7.10720457
-0.00023192 -0.00029663 0.00042657
-0.01282379 -0.01290924 0.00037581
-6.65941837 0.39232058 11.03523623
-0.00092758 0.00007412 -0.00044869
-0.00618162 0.01141253 0.00488188
-7.82202123 1.75301121 13.47215858
0.00027405 -0.00101379 0.00089887
-0.03140990 0.00743810 0.00863267
-2.24075083 -16.77961826 13.91163794
-0.00041678 0.00018355 -0.00003399
0.02150370 0.00405470 0.02166195
-4.50425719 -17.58403925 12.54985824
-0.00020184 0.00127510 -0.00045210
-0.03235133 -0.03913570 -0.01270098
6.87112010 -6.31721524 -4.35123125
-0.00065201 -0.00001977 -0.00082591
0.01109370 -0.00100705 -0.01157414
5.53465604 -7.97010205 -6.21062349
0.00001038 0.00072041 0.00020924
-0.00585840 -0.00936138 -0.00426455
-2.80723919 -11.49991543 2.26336963
-0.00024579 0.00026909 -0.00017239
-0.00338037 -0.00305136 -0.00035866
-0.24770229 -10.24754756 2.48633082
-0.00006968 0.00067282 -0.00083735
0.00409715 0.00957953 0.00194645
-14.65422361 -0.91047201 5.76139960
0.00065299 0.00036888 0.00071140
-0.02690335 -0.00942227 0.00143559
-15.93039485 -1.87356786 3.35569866
0.00026813 -0.00031135 0.00026445
-0.00664564 0.00474147 0.02550721
-9.56630222 4.82723066 -23.28813826
0.00000379 -0.00026099 -0.00075538
0.00175550 -0.01020408 0.00556599
-8.97910302 4.57573002 -20.35740798
0.00005727 -0.00043560 -0.00013773
-0.00324922 -0.01906446 -0.03269803
1.75492686 1.19262830 -3.17576476
0.00044446 -0.00041174 -0.00035242
0.02510061 0.00378800 0.03530765
0.69586872 0.43543281 -0.72876571
-0.00068106 -0.00059192 0.00061923
-0.02718450 -0.01216313 0.02695581
14.00808985 9.56016938 3.61408036
0.00093294 -0.00047378 -0.00043662
-0.02117798 -0.01072874 0.00456631
11.37043475 9.15692780 2.53671560
-0.00068910 -0.00091046 -0.00045893
-0.01867040 0.01118781 -0.02364653
5.43760128 -9.16547411 -10.58702626
-0.00007428 -0.00022789 0.00009827
-0.00062250 0.00484154 -0.00544011
-13.02264410 10.41881586 21.21677189
0.00004518 -0.00003142 0.00011962
0.00663332 0.00092908 -0.00266576
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06799379
0.31691763
422.27685047
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1868469443
ExchangeOperator: bisection time: 1.875 s
total exchange = -52.3714697855 (a.u.)
total exchange computation time: 3.3702449799 s
-154.2073642407
-931.38508490
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1868469443
ExchangeOperator: bisection time: 1.878 s
total exchange = -52.3711254113 (a.u.)
total exchange computation time: 3.3727509975 s
-154.2110654724
Anderson extrapolation: theta=1.3603206131 (1.3603206131)
-931.38532741
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1868469443
ExchangeOperator: bisection time: 1.878 s
total exchange = -52.3705645752 (a.u.)
total exchange computation time: 3.3723390102 s
-154.2168453329
Anderson extrapolation: theta=0.0566398205 (0.0566398205)
-931.38547491
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1868469443
ExchangeOperator: bisection time: 1.878 s
total exchange = -52.3704582243 (a.u.)
total exchange computation time: 3.3689868450 s
-154.2178262776
Anderson extrapolation: theta=2.0160997183 (2.0000000000)
-931.38548112
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1868469443
ExchangeOperator: bisection time: 1.877 s
total exchange = -52.3702223950 (a.u.)
total exchange computation time: 3.3716177940 s
-154.2199458117
Anderson extrapolation: theta=0.2368950339 (0.2368950339)
-931.38548807
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1868469443
ExchangeOperator: bisection time: 1.878 s
total exchange = -52.3701608558 (a.u.)
total exchange computation time: 3.3708319664 s
-154.2204542431
Anderson extrapolation: theta=1.7354602431 (1.7354602431)
-931.38548944
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1868469443
ExchangeOperator: bisection time: 1.876 s
total exchange = -52.3700725574 (a.u.)
total exchange computation time: 3.3714239597 s
-154.2211374674
Anderson extrapolation: theta=0.2875194078 (0.2875194078)
-931.38549095
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1868469443
ExchangeOperator: bisection time: 1.879 s
total exchange = -52.3700659758 (a.u.)
total exchange computation time: 3.3701658249 s
-154.2211416774
Anderson extrapolation: theta=1.2743966670 (1.2743966670)
-931.38549130
238.241400 32.044202 245.956212
-142.222913 490.104090 -805.355563
96.018487 522.148293 -559.399350
771.223717
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1868469443
ExchangeOperator: bisection time: 1.875 s
total exchange = -52.3700712690 (a.u.)
total exchange computation time: 3.3732180595 s
678.78024468
-1083.46960219
89.80556839
-389.31539092
-174.81624021
78.19153612
551.60419304
0.00000000
-931.38549153
-8.78733009 -3.91100117 3.56347244
0.00014047 -0.00016425 0.00036366
0.00799359 0.00992502 -0.02249951
-17.84781854 4.49659762 6.52604894
0.00006544 -0.00029033 -0.00013714
0.00204049 0.03708723 0.03418774
-15.57567723 -0.89888701 0.51464979
0.00009141 -0.00008560 -0.00028407
-0.02130739 0.00406923 -0.01065143
3.36878386 -20.68765599 15.61906826
-0.00032176 0.00017770 -0.00019914
-0.03166971 0.02378449 -0.00731538
7.53804048 15.96475233 -1.33783149
0.00031096 0.00020221 0.00000427
0.00998239 -0.02218972 -0.02051769
-9.81210159 9.56675025 11.12182217
-0.00011534 -0.00032605 -0.00007642
-0.01630691 0.02699915 -0.00471347
-8.22134094 -0.52915227 -14.22215619
-0.00019093 0.00023191 -0.00014946
0.00692003 0.01467446 0.01628194
-10.82338713 2.28964062 -7.09717471
0.00013769 0.00033555 0.00033009
0.01400910 0.02569954 0.00827446
-0.25490615 -5.74557053 15.21669937
-0.00011755 0.00002716 0.00036413
-0.00914888 -0.00221842 -0.02776130
-25.53374785 -0.63807204 -20.74472214
-0.00039901 -0.00011042 0.00014077
-0.01043937 -0.00392493 -0.03321409
8.85973351 7.49993725 7.85768608
-0.00003209 -0.00003924 0.00003480
0.01469874 0.01549278 -0.00867259
20.77782005 28.74958966 -4.96938108
0.00006628 -0.00011760 -0.00022922
-0.01099072 -0.00358093 0.02032522
7.76771961 -1.56875022 -7.22086094
-0.00002826 0.00000116 -0.00007985
-0.04338843 0.02148356 0.00568025
-9.33698527 -3.52666192 13.41852291
0.00020252 0.00008056 0.00042369
-0.00133094 0.03289520 -0.04045062
-1.30255602 -22.76417998 13.91279869
0.00007344 0.00004047 0.00011962
0.00334591 0.02548965 -0.00682079
-11.08492615 -8.67417275 -8.21499556
0.00007353 0.00025524 0.00022168
0.03885650 0.03023259 -0.04192175
-15.91344367 -8.56245783 -15.52045220
0.00004939 -0.00008038 0.00008160
-0.00099225 0.04671780 0.00515048
16.64094014 12.67346295 3.56876293
0.00037384 0.00010827 0.00016292
0.00478174 0.00314829 -0.01522658
20.23120634 -4.59096137 -14.73362793
-0.00027287 -0.00017387 0.00002734
-0.00171420 0.00198334 -0.00726552
-0.50995064 8.14412934 -14.87811621
0.00033107 0.00007100 -0.00008957
-0.00769875 0.01718184 0.01131231
0.74242149 -0.75679920 -16.85108126
-0.00011696 0.00033894 -0.00031968
-0.03374047 0.01434129 0.01305324
11.74820205 20.99814800 -23.16692893
0.00031577 -0.00009114 -0.00005899
0.02983990 0.04823483 0.03223511
-11.28430321 15.23258877 -16.18659521
0.00002371 0.00011898 -0.00032159
0.01852247 0.00001388 0.02158051
4.42857085 17.59450971 10.83828835
0.00029826 0.00013344 -0.00029064
0.05802335 -0.05172830 -0.00850484
-2.14524328 -11.09399713 -3.55122900
-0.00006992 0.00002640 0.00021293
0.07889679 -0.03135097 0.01440092
1.21965932 -8.10587039 3.73696429
-0.00001477 -0.00015401 0.00009782
0.01564138 0.01316269 0.01826733
9.61480352 1.92181519 8.19138173
0.00001521 0.00028109 0.00020643
-0.00579321 -0.02569092 0.00536205
-6.92809182 -9.34899689 -3.02472194
-0.00014750 0.00032243 -0.00015088
0.00183279 0.02657866 -0.03261356
3.90565175 -12.43063194 -12.99942759
-0.00011463 0.00036647 -0.00023835
0.01092077 -0.01187338 0.00854471
1.17901727 -4.59328907 -0.95270362
0.00013076 0.00021557 0.00009631
0.00462845 0.01549213 -0.01907670
16.97739360 4.48097390 27.18402386
0.00037537 0.00023198 -0.00033606
0.00029109 -0.02240961 0.00766659
-9.61677661 6.08813776 -4.46170138
-0.00014469 -0.00013216 0.00013820
0.00462195 -0.00921428 0.01042872
-4.95854643 14.92987866 -9.21143393
0.00038231 0.00001990 -0.00020161
-0.00292470 -0.00005331 0.00047893
3.03589705 12.18249145 -6.85401386
-0.00010529 0.00003398 -0.00008956
-0.03183477 -0.00574554 0.01348217
-4.21112956 11.88967072 -13.76445324
0.00028660 0.00005982 0.00000749
-0.00031225 -0.02266712 0.00466907
3.85688323 7.22955019 17.38148901
0.00007346 0.00012415 -0.00019905
-0.01760767 0.00701654 0.00240252
-15.29570559 8.74243976 -9.07318957
-0.00050550 -0.00021683 0.00002893
0.01596019 0.00609556 -0.01425862
3.73987052 9.24104560 0.49689694
-0.00007454 -0.00015577 0.00015561
0.00094669 0.01263171 0.00543806
15.82001689 -24.02493076 -26.65826655
0.00022391 -0.00005685 0.00000488
-0.02236815 0.00057002 -0.03307796
5.76622410 4.19540605 0.14594252
-0.00014635 -0.00014679 0.00020475
-0.01081150 -0.00968591 -0.01352644
17.14128660 -5.28611552 0.34501286
0.00033096 -0.00000097 -0.00020032
0.01005377 0.00708416 0.02923764
-4.63859676 2.47725157 -2.58779245
-0.00047754 -0.00023309 0.00043714
-0.02720393 0.01358389 0.01680620
0.88770879 2.41881210 -11.87670143
-0.00033876 0.00017399 -0.00000155
-0.02885653 0.00109869 -0.02506531
15.45410237 8.91473458 -7.42482595
-0.00027425 -0.00032412 0.00021572
0.04427014 0.01473890 0.00744481
-6.36655065 0.96629824 12.77582041
-0.00035549 0.00016766 0.00019581
0.04116603 -0.01404071 -0.02550331
-3.51120093 -16.17245478 12.81983192
-0.00015980 -0.00020029 0.00035228
0.01540780 0.04126071 -0.02182317
7.05411376 -6.93332391 -6.13470885
0.00007311 0.00031847 -0.00040118
-0.00806080 0.01630331 0.01783999
-1.12287358 -11.56620819 1.52034693
0.00009784 -0.00019838 -0.00042923
-0.00944241 -0.01171528 -0.00667937
-16.25015522 -1.77854129 5.26813466
0.00033752 -0.00002142 0.00039256
0.03443890 0.00827233 -0.01482657
-9.11983604 3.55338644 -22.00003504
-0.00025634 -0.00031640 -0.00037892
0.00462019 0.03586878 0.03073655
2.16966279 1.22529604 -1.28759985
-0.00018308 -0.00015903 -0.00012656
-0.01357651 -0.00163362 -0.06490733
12.44830030 8.53917431 3.82001977
0.00021041 -0.00015425 -0.00005891
0.03741929 0.00229112 0.01038447
-7.41157348 -4.14452432 2.34771040
-0.00091229 -0.00049211 0.00123641
0.01905934 -0.01004446 0.01155539
-9.96251342 -3.53351070 2.20172214
-0.00019227 -0.00139474 -0.00056894
-0.01680397 0.01079862 0.00607446
-16.65035690 5.90959482 6.99426175
0.00035957 -0.00032476 -0.00004716
-0.01452235 -0.02801859 -0.01560822
-17.19556612 3.58276419 5.14878364
-0.00025888 -0.00031102 -0.00064873
0.01465964 -0.00621113 -0.02020025
-16.30713310 0.81724237 0.50918052
-0.00109099 0.00054706 -0.00032435
0.02042592 0.00147914 0.00971497
-17.05020104 -1.68295575 -0.25091934
0.00135072 0.00059020 0.00042448
0.00563959 -0.01158010 -0.00598189
1.63968263 -20.83426609 14.93019771
-0.00089961 -0.00028176 -0.00031450
0.00949881 -0.02270508 0.00231950
3.33134769 -18.84657452 15.73581117
-0.00049738 -0.00024165 0.00047001
0.02118679 -0.00127670 0.00869761
8.27792047 14.23935648 -1.23752897
-0.00034885 -0.00046044 0.00029192
-0.00406455 0.00526759 -0.00264458
7.43780169 16.43192336 0.35868923
-0.00063064 -0.00054544 0.00017169
-0.00499120 0.01454318 0.02968393
-8.44511134 9.41907530 12.39587442
-0.00046862 0.00098942 -0.00013780
-0.00874275 -0.00528741 -0.00097708
-10.64850355 11.21837756 11.58022745
-0.00031033 -0.00009729 -0.00024205
0.01542580 -0.02976482 -0.00109543
-9.89436646 0.16145926 -14.54517636
-0.00108361 0.00083641 -0.00048117
-0.00399155 0.00779876 0.00903323
-8.22100079 -2.02035682 -15.18722244
0.00051113 -0.00047137 -0.00084705
0.00369986 -0.02176017 -0.02074762
-12.20398977 1.13171289 -7.05398194
-0.00034707 -0.00039730 0.00011265
-0.00936099 -0.00782259 0.00680493
-10.91515030 3.68428582 -5.76845820
-0.00108781 -0.00001192 0.00021341
0.00305306 -0.02556648 -0.02596573
-1.95853328 -6.18028854 14.60179200
-0.00053196 -0.00066903 0.00014528
0.00576359 -0.00062940 0.00001952
-0.36676114 -5.66521105 16.98821292
-0.00021154 0.00019955 -0.00016785
0.00004018 -0.00068657 0.03156066
-24.93711318 -0.53877096 -19.08489729
-0.00000005 0.00015160 -0.00052699
0.01844749 0.00655733 0.02757118
-25.60055787 1.00288535 -21.56606588
0.00008555 -0.00104956 -0.00018988
-0.00077542 -0.00236807 -0.00263431
9.51678103 8.74446022 6.63603545
0.00017341 -0.00016440 -0.00074470
-0.00542168 -0.01856658 0.00118745
10.10310011 7.84238660 9.19257293
0.00000051 0.00042314 0.00020649
-0.00355669 -0.00527808 0.00339609
19.76094812 27.47454672 -4.03838484
-0.00004846 0.00006447 0.00040560
0.00969477 0.00937929 -0.00606410
20.14684377 30.48179709 -4.33063077
0.00044217 -0.00040610 -0.00043451
0.00934054 -0.01563061 -0.01110348
6.07631693 -0.64677747 -6.93252592
-0.00074612 -0.00078177 -0.00040692
0.04079845 -0.01669830 -0.00925448
7.24546210 -3.32217161 -7.19663521
0.00075833 0.00036579 0.00019255
0.00093007 -0.00670312 0.00119086
-8.74440047 -2.18117011 12.18170086
-0.00045651 0.00037477 0.00009367
-0.00340667 -0.02982877 0.02394220
-11.12341479 -3.03948328 13.39135715
0.00079251 -0.00063634 -0.00079186
0.00206199 -0.00556347 0.01200630
-1.35068283 -24.21524659 14.96456694
0.00061548 0.00018134 0.00051866
0.00250138 -0.02056771 0.00636553
-3.00998296 -22.13877754 13.76037024
0.00029610 0.00010500 0.00112852
-0.01124498 -0.00213140 0.00182293
-12.32523785 -7.94347902 -7.05955213
-0.00047177 -0.00124040 -0.00026287
-0.01093629 0.00655800 -0.00282987
-10.29856308 -7.25326821 -9.32285979
-0.00024555 -0.00083376 0.00117773
-0.02755019 -0.03320858 0.04435415
-16.21029928 -10.24604804 -15.84765660
0.00006469 0.00037811 -0.00061884
-0.00602682 -0.05117347 -0.00178079
-14.24200700 -8.13375303 -16.18469305
0.00009352 -0.00021341 -0.00012752
0.00226322 0.00378985 -0.00086833
17.07075173 12.76105724 5.35160138
0.00075756 0.00048155 -0.00019453
0.00085271 0.00087931 0.00440332
17.35655947 14.15495401 2.72085476
-0.00014948 0.00082798 -0.00015590
-0.00740570 -0.00554535 0.00949561
18.45795635 -4.24847447 -15.04179090
-0.00022219 -0.00027745 0.00003565
0.00994265 -0.00004654 0.00040931
21.18749592 -3.11833080 -15.39312269
-0.00072841 0.00156182 -0.00042748
-0.00464041 -0.00655780 0.00190191
-1.41936184 7.24445194 -13.56953067
0.00107358 -0.00081212 0.00048790
0.00647384 -0.01059411 -0.00595541
0.11780993 7.00052717 -16.12663770
-0.00010000 0.00020641 -0.00133890
-0.00231694 -0.01267608 -0.00315671
0.83559091 0.53416275 -15.53319357
-0.00029422 0.00006284 -0.00023107
0.00201368 -0.00272611 -0.00126866
2.44192246 -1.01696799 -17.33439748
-0.00082271 0.00017633 0.00049846
0.02999201 -0.00585866 -0.00172496
12.15014082 22.78188512 -22.32665455
0.00053642 -0.00089521 0.00034693
-0.00047871 -0.04371747 -0.02549853
9.96439767 21.19970396 -23.13034268
0.00070923 -0.00026539 -0.00024545
-0.02686389 -0.01052196 -0.00722396
-9.85516042 16.14386272 -17.10903904
-0.00027169 -0.00047298 -0.00002899
-0.02185659 -0.00849680 0.00420261
-10.79963569 15.23990406 -14.39891506
-0.00005470 0.00094286 -0.00089895
-0.00569306 -0.00178660 -0.01828382
3.11375667 18.54264996 11.37539911
0.00079700 0.00040831 0.00000208
-0.05555280 0.04035908 0.01652960
4.90034276 18.02531801 9.15268124
-0.00021691 0.00084199 -0.00060063
-0.00288503 0.00745786 -0.01129942
-3.71347648 -10.44430087 -3.22694246
-0.00104389 -0.00001997 -0.00086162
-0.05990801 0.02456842 0.01222968
-1.32458146 -11.39492315 -1.82754359
0.00038396 -0.00057938 -0.00079728
-0.01832896 0.01186694 -0.02099558
0.12727938 -7.09351676 4.85218867
0.00005747 -0.00100430 0.00023423
0.01062147 -0.00420899 -0.00139072
2.86581966 -8.36933461 4.61221006
0.00046672 -0.00056274 0.00131232
-0.01752893 0.00934873 -0.00455468
8.15999572 1.97321489 9.28666308
-0.00116658 -0.00031974 -0.00093864
0.00245347 -0.00080752 -0.00003392
9.66733390 3.53382598 7.43443889
0.00039193 0.00063691 0.00042581
-0.00045057 0.03044289 -0.00931540
-7.97717387 -8.76375570 -4.46861463
0.00037582 0.00070141 0.00012885
0.01215064 -0.00725672 0.01978423
-8.06580076 -10.17497865 -1.93733090
0.00105390 -0.00012303 0.00035570
-0.02300108 -0.01468116 0.01629588
4.88852728 -13.64147321 -11.93082264
-0.00035052 -0.00004304 -0.00003678
-0.01532145 0.01547073 -0.01722954
2.39594351 -13.18626334 -13.73789099
0.00038134 0.00005433 -0.00036228
0.00041511 -0.00315617 0.00771354
1.34887922 -6.04587813 0.08812116
-0.00000053 -0.00050550 0.00091152
-0.00177481 -0.01084186 0.01382407
-0.16187437 -3.58029740 -0.26286423
-0.00014251 -0.00018660 -0.00017636
-0.00487060 -0.00494771 0.00597475
17.50553427 3.42148436 25.77341369
-0.00005826 -0.00041969 -0.00016200
-0.00382845 0.00714829 0.00867539
16.55243925 3.22761044 28.50254075
0.00023531 -0.00031445 0.00078182
0.00176834 0.01353306 -0.01544271
-10.83828780 7.28720675 -3.97368191
-0.00022687 -0.00037376 0.00112171
-0.02604175 0.01980103 0.01386213
-8.49564584 7.13016519 -5.47239693
0.00115167 -0.00060830 0.00022650
0.01289752 0.00282945 -0.00794762
-6.41111309 16.04703301 -9.15749861
-0.00010711 -0.00033937 0.00004564
0.00432167 -0.00111460 -0.00004858
-4.80900065 14.28791652 -10.93233961
-0.00016554 0.00032764 -0.00059963
0.00308694 0.00051699 0.00351687
2.80780056 10.65587683 -5.74814933
-0.00038059 0.00062529 0.00067221
0.00544787 0.02446535 -0.02015114
1.38678386 13.13222285 -6.90599201
-0.00029331 -0.00004751 -0.00042088
0.02502468 -0.01121035 0.00454120
-2.67145003 10.95663171 -14.22816114
-0.00056242 0.00101413 0.00027729
-0.00120826 0.00919926 -0.00007551
-5.31387974 10.45961277 -13.34842212
0.00042989 0.00055030 0.00048510
-0.00172717 0.01348304 -0.00130657
4.28430054 7.86536733 19.08261269
0.00093737 -0.00039638 0.00030135
-0.00603212 -0.00770000 -0.00871318
1.96708918 7.06942715 17.33610999
-0.00011227 -0.00051105 0.00046347
0.01426486 -0.00264562 0.00740065
-13.44906608 8.73378155 -8.83530678
0.00086008 0.00006012 -0.00092416
-0.02151340 -0.00602910 0.00640472
-16.30125821 8.35046176 -7.60186727
-0.00037532 0.00057787 -0.00028060
0.00994052 -0.00411719 0.01288384
5.30673737 10.36703636 0.27322840
0.00022188 0.00116904 0.00066473
-0.03616268 -0.01728058 0.01394552
2.16354791 9.81770936 1.45034845
0.00009873 0.00171367 -0.00067020
0.04143253 -0.00658056 -0.02559284
14.33717515 -23.84451205 -25.57070275
-0.00011388 0.00034247 -0.00015889
-0.00368061 -0.00196896 0.00451372
14.94761617 -24.01123601 -28.37216977
0.00000033 -0.00118425 -0.00041549
0.01940699 -0.00395203 0.03215883
4.43844431 3.40297614 -0.91977551
-0.00088339 -0.00013272 0.00039542
0.01268269 0.01154177 0.01367347
4.99871424 5.81927627 0.48644715
0.00086241 0.00052331 0.00133728
0.00237478 0.00947138 0.00721423
17.17230342 -3.65953608 -0.44505762
0.00108496 0.00058161 -0.00040133
0.00510459 0.00549862 -0.00811452
16.50356948 -6.52316864 -0.75890074
-0.00111266 0.00050280 -0.00035751
-0.01360295 -0.01567413 -0.02904685
-6.31155713 2.84340058 -1.70981061
0.00048016 -0.00052044 -0.00089206
0.03122782 0.00115097 -0.01158061
-5.16962792 1.06709610 -3.67261589
0.00056654 0.00109003 -0.00042236
0.00515417 -0.00550468 -0.00051136
2.49665451 2.87904650 -11.31593526
-0.00006774 -0.00023816 0.00016382
0.02698819 0.00625685 0.00751794
-0.02238580 1.65322230 -10.51324954
0.00186889 0.00016134 -0.00047615
0.00270142 -0.01036354 0.00359383
17.07868955 7.89494418 -7.80354065
0.00029693 0.00150376 0.00073159
-0.02665060 0.00374790 -0.00495406
16.19810238 10.59169697 -7.10079449
-0.00028638 -0.00034847 0.00042870
-0.01383174 -0.01246529 0.00066437
-6.67352144 0.39378213 11.02865555
-0.00095127 0.00012373 -0.00041954
-0.00541561 0.01286850 0.00938500
-7.81887296 1.73803227 13.48590612
0.00013637 -0.00097788 0.00093845
-0.03598461 0.01014004 0.01074192
-2.24634354 -16.77674079 13.91179191
-0.00032379 0.00019549 0.00005914
0.02401253 0.00179168 0.02392612
-4.50827614 -17.56611202 12.54268758
-0.00034439 0.00109994 -0.00050660
-0.03742797 -0.04660469 -0.01398057
6.86167989 -6.31754260 -4.36397455
-0.00060483 -0.00002098 -0.00086762
0.01200382 0.00041519 -0.00884544
5.53463224 -7.95958283 -6.20761563
-0.00001598 0.00067975 0.00018942
-0.00704783 -0.01054005 -0.00543520
-2.81102963 -11.49597264 2.26077274
-0.00025391 0.00025649 -0.00017643
-0.00059234 -0.00311343 -0.00161815
-0.24862187 -10.23716167 2.47383023
-0.00005508 0.00070802 -0.00083131
0.00304888 0.00764793 0.00101096
-14.64525309 -0.90522751 5.77211462
0.00053814 0.00032739 0.00071443
-0.02931804 -0.01088879 0.00004601
-15.92657655 -1.87809277 3.36044701
0.00024139 -0.00029119 0.00036973
-0.00644329 0.00512496 0.02602627
-9.56619163 4.82300320 -23.29929839
0.00001181 -0.00030436 -0.00073037
0.00217380 -0.01102631 0.00667764
-8.97834361 4.56861187 -20.36047597
0.00004348 -0.00051356 -0.00027309
-0.00350095 -0.01909825 -0.03356170
1.76236285 1.18656828 -3.17996913
0.00054520 -0.00039695 -0.00020709
0.02421235 0.00345027 0.03583305
0.68481986 0.42618136 -0.71865125
-0.00077722 -0.00063357 0.00072173
-0.01988752 -0.00822587 0.02322107
14.02143493 9.55273385 3.60767101
0.00084020 -0.00051962 -0.00041849
-0.02421842 -0.01170837 0.00430669
11.35952612 9.14361372 2.52910703
-0.00075686 -0.00086753 -0.00054796
-0.01449741 0.00982676 -0.01993479
5.43648535 -9.16887946 -10.58556677
-0.00007453 -0.00022614 0.00009632
-0.00073046 0.00492811 -0.00548020
-13.02195490 10.41834625 21.21856148
0.00004669 -0.00003120 0.00011902
0.00642953 0.00095009 -0.00249464
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06830397
0.31718756
422.63652384
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1868469443
ExchangeOperator: bisection time: 1.877 s
total exchange = -52.3679111509 (a.u.)
total exchange computation time: 3.3724730015 s
-154.1925920985
-931.38561263
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1868469443
ExchangeOperator: bisection time: 1.877 s
total exchange = -52.3676316479 (a.u.)
total exchange computation time: 3.3709771633 s
-154.1960023409
Anderson extrapolation: theta=1.3605940478 (1.3605940478)
-931.38585927
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1868469443
ExchangeOperator: bisection time: 1.876 s
total exchange = -52.3671779280 (a.u.)
total exchange computation time: 3.3717122078 s
-154.2013261608
Anderson extrapolation: theta=0.0565952936 (0.0565952936)
-931.38600926
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1868469443
ExchangeOperator: bisection time: 1.874 s
total exchange = -52.3670949599 (a.u.)
total exchange computation time: 3.3702750206 s
-154.2022215681
Anderson extrapolation: theta=2.0006213100 (2.0000000000)
-931.38601555
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1868469443
ExchangeOperator: bisection time: 1.874 s
total exchange = -52.3669184827 (a.u.)
total exchange computation time: 3.3726339340 s
-154.2041194053
Anderson extrapolation: theta=0.2244919890 (0.2244919890)
-931.38602258
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1868469443
ExchangeOperator: bisection time: 1.875 s
total exchange = -52.3668827269 (a.u.)
total exchange computation time: 3.3714549541 s
-154.2045176421
Anderson extrapolation: theta=1.7632035428 (1.7632035428)
-931.38602392
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1868469443
ExchangeOperator: bisection time: 1.874 s
total exchange = -52.3668420711 (a.u.)
total exchange computation time: 3.3702199459 s
-154.2050144906
Anderson extrapolation: theta=0.2706660771 (0.2706660771)
-931.38602547
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1868469443
ExchangeOperator: bisection time: 1.875 s
total exchange = -52.3668516114 (a.u.)
total exchange computation time: 3.3709480762 s
-154.2049608900
Anderson extrapolation: theta=1.3210509572 (1.3210509572)
-931.38602582
238.216956 32.041492 245.920439
-142.234502 490.108539 -805.389991
95.982455 522.150032 -559.469552
771.271332
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1868469443
ExchangeOperator: bisection time: 1.877 s
total exchange = -52.3668771174 (a.u.)
total exchange computation time: 3.3690130711 s
678.72641548
-1083.35767752
89.81189397
-389.39257725
-174.80720365
78.12745835
551.60419304
0.00000000
-931.38602609
-8.78519214 -3.91342657 3.56884056
0.00014212 -0.00015868 0.00035244
-0.00160389 0.01171994 -0.02114502
-17.84682909 4.49238566 6.52412367
0.00006688 -0.00027163 -0.00012012
0.00357367 0.03562973 0.03201190
-15.57438833 -0.90015538 0.51034764
0.00008210 -0.00008058 -0.00028816
-0.01486418 0.01545632 -0.00525878
3.36383526 -20.68489879 15.61605287
-0.00033885 0.00018898 -0.00020324
-0.03476868 0.02010322 -0.00862156
7.54274332 15.96769990 -1.33784660
0.00031629 0.00019036 -0.00000601
0.01075964 -0.02389137 -0.01946366
-9.81389464 9.56196370 11.12065774
-0.00012425 -0.00031164 -0.00007895
-0.01833589 0.02902383 -0.00512103
-8.22417827 -0.52561701 -14.22433535
-0.00018891 0.00023830 -0.00014253
0.00096180 0.01017729 0.01069510
-10.82126774 2.29477302 -7.09219146
0.00014327 0.00034721 0.00033418
0.00770555 0.01963818 0.00763677
-0.25670465 -5.74517167 15.22205418
-0.00012309 0.00002570 0.00034845
-0.01240243 -0.00344874 -0.03320234
-25.53977327 -0.63974350 -20.74273870
-0.00040467 -0.00011365 0.00012342
-0.01158333 -0.00864123 -0.03424024
8.85930888 7.49940846 7.85817469
-0.00002406 -0.00003074 0.00003007
0.01652647 0.01753269 -0.00975497
20.77877181 28.74781177 -4.97274094
0.00006060 -0.00012010 -0.00021864
-0.01107632 -0.00613043 0.02081386
7.76712837 -1.56864990 -7.22203684
-0.00005058 0.00001323 -0.00007696
-0.04340408 0.02545401 0.00559006
-9.33395258 -3.52532670 13.42472224
0.00020301 0.00009735 0.00040259
0.00323444 0.03243299 -0.04159692
-1.30144151 -22.76347462 13.91456669
0.00007567 0.00005311 0.00011639
0.00533191 0.02366294 -0.00573612
-11.08367325 -8.67022750 -8.21183200
0.00009344 0.00026883 0.00020060
0.03855597 0.02261196 -0.04008356
-15.91270662 -8.56348328 -15.51920840
0.00004918 -0.00005589 0.00008427
0.00018368 0.04852083 0.00523811
16.64656614 12.67509916 3.57114801
0.00037655 0.00011062 0.00015433
0.00577513 0.00597198 -0.01818497
20.22710661 -4.59356180 -14.73324581
-0.00027266 -0.00017110 0.00002287
0.00255248 0.00878012 -0.01012397
-0.50501422 8.14526057 -14.87941608
0.00032724 0.00007851 -0.00008404
-0.00722845 0.01203028 0.01017477
0.74053693 -0.75165978 -16.85582604
-0.00013603 0.00034644 -0.00031258
-0.04042162 0.01483388 0.01453336
11.75305378 20.99696700 -23.16768942
0.00033181 -0.00006706 -0.00004257
0.03251040 0.04539848 0.03161271
-11.28387604 15.23437350 -16.19133579
0.00003238 0.00011860 -0.00031111
0.01519106 -0.00149102 0.01916961
4.43326864 17.59631174 10.83389594
0.00032813 0.00010711 -0.00029582
0.05810770 -0.05065604 -0.01164045
-2.14598779 -11.09372202 -3.54797946
-0.00003148 0.00001109 0.00021956
0.07058866 -0.02820598 0.01135208
1.21949809 -8.10812983 3.73850209
-0.00000491 -0.00014786 0.00010760
0.02268642 0.01075409 0.01973921
9.61500935 1.92593244 8.19449887
0.00001189 0.00026845 0.00020912
-0.00711239 -0.02344604 0.00509658
-6.93029729 -9.34405785 -3.02711097
-0.00014561 0.00033615 -0.00016735
0.00551712 0.02674244 -0.03141514
3.90397445 -12.42518071 -13.00296995
-0.00010852 0.00036019 -0.00023359
0.01281946 -0.01255764 0.01000073
1.18099654 -4.58999571 -0.95133251
0.00013354 0.00022149 0.00008779
0.00617682 0.00749907 -0.01406696
16.98302529 4.48436714 27.17901253
0.00037515 0.00021912 -0.00033085
-0.00114787 -0.02760550 0.01259045
-9.61892909 6.08611982 -4.45958822
-0.00014207 -0.00013629 0.00014337
0.00554274 -0.00685055 0.00970741
-4.95282299 14.93017691 -9.21445624
0.00038045 0.00001991 -0.00020178
-0.00432568 0.00009514 -0.00113186
3.03419486 12.18297892 -6.85530525
-0.00012181 0.00003118 -0.00008260
-0.03239528 -0.00513366 0.01359097
-4.20683173 11.89048058 -13.76432291
0.00028495 0.00004984 0.00001036
-0.00612166 -0.01614840 0.00650025
3.85791723 7.23143955 17.37851252
0.00006437 0.00012789 -0.00019706
-0.01774185 0.00750018 0.00533493
-15.30322646 8.73921079 -9.07281063
-0.00049482 -0.00021342 0.00002072
0.02555074 0.00716842 -0.01766243
3.73875601 9.23875770 0.49925200
-0.00007301 -0.00014802 0.00015847
0.00501568 0.01754153 0.00568871
15.82328929 -24.02578127 -26.65832100
0.00021187 -0.00005666 -0.00001241
-0.02445895 0.00015182 -0.03412928
5.76398715 4.19316691 0.14896159
-0.00015242 -0.00015137 0.00019778
-0.01278711 -0.00813257 -0.01358221
17.14628974 -5.28610277 0.34212080
0.00033589 0.00000314 -0.00018638
0.00913489 0.00889172 0.02496728
-4.64586487 2.47380768 -2.58117057
-0.00048927 -0.00022553 0.00044539
-0.01840049 0.01579842 0.01528183
0.88251611 2.42142618 -11.87682137
-0.00035129 0.00017599 -0.00001616
-0.01986405 0.00668315 -0.03176403
15.45015932 8.90992958 -7.42156145
-0.00025158 -0.00031598 0.00021971
0.04390838 0.01692610 0.00805823
-6.37172424 0.96875900 12.77865915
-0.00033359 0.00015965 0.00018119
0.04398642 -0.01710897 -0.03134177
-3.51353857 -16.17529990 12.82503192
-0.00015133 -0.00017719 0.00034083
0.01754549 0.04854429 -0.02267825
7.05517937 -6.92848395 -6.14065779
0.00006895 0.00032661 -0.00039249
-0.00813113 0.01532795 0.01596437
-1.12144241 -11.56922914 1.51388275
0.00009260 -0.00020383 -0.00043194
-0.01093000 -0.00946347 -0.00386725
-16.24495964 -1.77883068 5.27396587
0.00035556 -0.00001693 0.00038517
0.03573124 0.00918748 -0.01392967
-9.12366326 3.54877882 -22.00560024
-0.00025397 -0.00029791 -0.00036324
0.00456128 0.03602990 0.03021313
2.16686422 1.22290426 -1.28974863
-0.00019168 -0.00016081 -0.00015881
-0.01988285 -0.00528922 -0.06050933
12.45160073 8.53686941 3.81917612
0.00022899 -0.00015249 -0.00005460
0.03484116 0.00453545 0.00639885
-7.42467384 -4.15221369 2.36661066
-0.00081930 -0.00053411 0.00127205
0.02645998 -0.01051581 0.00588859
-9.96591236 -3.55410096 2.19337413
-0.00025536 -0.00135161 -0.00053687
-0.01407791 0.01031443 0.00962451
-16.64540833 5.90386481 6.99307600
0.00029947 -0.00043992 -0.00011144
-0.01490005 -0.02835218 -0.01585654
-17.19900009 3.57790861 5.13843367
-0.00020119 -0.00033282 -0.00072635
0.01357948 -0.00446130 -0.01779550
-16.32287209 0.82549353 0.50461304
-0.00100082 0.00054203 -0.00028389
0.02371572 -0.00394021 0.01008891
-17.02976735 -1.67445754 -0.24473548
0.00135433 0.00053035 0.00038936
-0.00387321 -0.01771708 -0.01120848
1.62647948 -20.83918818 14.92555128
-0.00085402 -0.00037282 -0.00030178
0.01282118 -0.02186971 0.00390858
3.32453623 -18.85023841 15.74312779
-0.00041149 -0.00024141 0.00050524
0.02085724 0.00139263 0.00855058
8.27256320 14.23261132 -1.23323119
-0.00036648 -0.00043492 0.00028010
-0.00456412 0.00722518 -0.00314191
7.42818911 16.42418736 0.36217420
-0.00065170 -0.00048648 0.00029136
-0.00531633 0.01431795 0.02889384
-8.45240854 9.43375454 12.39377755
-0.00050054 0.00096518 -0.00013930
-0.00688296 -0.00657559 0.00023879
-10.65268586 11.21600606 11.57656308
-0.00024725 -0.00022000 -0.00024771
0.01545393 -0.03030049 -0.00167502
-9.91074292 0.17424439 -14.55211705
-0.00108617 0.00086078 -0.00044216
0.00273942 0.00412907 0.01005831
-8.21322051 -2.02809422 -15.20056402
0.00052450 -0.00054345 -0.00092191
0.00284670 -0.01352325 -0.01589580
-12.20948263 1.12551373 -7.05208361
-0.00037440 -0.00042050 0.00013962
-0.00402052 -0.00353578 0.00639598
-10.93137384 3.68332360 -5.76605270
-0.00107399 -0.00011412 0.00010917
0.00370884 -0.02446377 -0.02506137
-1.96633601 -6.19034328 14.60397181
-0.00050125 -0.00066909 0.00014777
0.00926811 0.00059917 0.00119754
-0.36993309 -5.66223883 16.98666234
-0.00021194 0.00019693 -0.00003037
-0.00023412 -0.00059467 0.03573681
-24.93654871 -0.53629598 -19.09195728
0.00007806 0.00017871 -0.00040737
0.01978997 0.00671151 0.03098539
-25.59929838 0.98706937 -21.56899475
0.00008169 -0.00104938 -0.00020507
-0.00111563 0.00245567 -0.00480308
9.51921600 8.74142533 6.62490135
0.00014967 -0.00024427 -0.00073500
-0.00619640 -0.02053325 0.00355790
10.10299871 7.84857201 9.19577440
-0.00001598 0.00040097 0.00021736
-0.00451106 -0.00557454 0.00192352
19.76051831 27.47580111 -4.03248669
-0.00000721 0.00010446 0.00037899
0.01049613 0.01019645 -0.00695934
20.15376257 30.47522654 -4.33748867
0.00047891 -0.00046631 -0.00047845
0.00864131 -0.01384146 -0.01040680
6.06637540 -0.65901577 -6.93891333
-0.00057777 -0.00084892 -0.00044441
0.04160874 -0.01617090 -0.00909623
7.25686552 -3.31689014 -7.19371052
0.00076044 0.00033009 0.00019744
0.00010538 -0.01077309 0.00120359
-8.75135258 -2.17646264 12.18383963
-0.00046818 0.00025202 0.00019232
-0.00230231 -0.03025797 0.02434631
-11.11146395 -3.04919892 13.37984709
0.00078979 -0.00065750 -0.00074153
-0.00339325 -0.00479319 0.01263314
-1.34137396 -24.21315676 14.97254192
0.00062564 0.00009935 0.00054302
0.00247328 -0.01956584 0.00555701
-3.00588598 -22.13726792 13.77735395
0.00024673 0.00009786 0.00113495
-0.01292413 -0.00136377 0.00132144
-12.33264958 -7.96188411 -7.06358187
-0.00052019 -0.00120958 -0.00027021
-0.01276153 0.00852937 -0.00076391
-10.30309062 -7.26679230 -9.30383473
-0.00035313 -0.00095823 0.00135063
-0.02510840 -0.02771810 0.04028408
-16.20951355 -10.24194457 -15.85699375
0.00003899 0.00016473 -0.00062698
-0.00655533 -0.05327647 -0.00220418
-14.24053478 -8.13683802 -16.18663250
0.00010154 -0.00019741 -0.00013053
0.00165899 0.00403895 -0.00060269
17.08214124 12.76830746 5.34881836
0.00076124 0.00048491 -0.00017354
0.00094932 0.00076228 0.00587367
17.35409032 14.16720385 2.71880719
-0.00018194 0.00079994 -0.00011483
-0.00848257 -0.00818071 0.01061087
18.45492816 -4.25263764 -15.04124363
-0.00018386 -0.00027816 0.00003751
0.00882145 -0.00030227 0.00050125
21.17642754 -3.09510439 -15.39947659
-0.00075319 0.00152150 -0.00041430
-0.00748864 -0.01318184 0.00454699
-1.40305969 7.23194548 -13.56239468
0.00110322 -0.00085151 0.00045791
0.00803355 -0.00868544 -0.00872186
0.11623894 7.00323494 -16.14681800
-0.00011333 0.00016162 -0.00134382
-0.00420620 -0.00924909 0.00075131
0.83123935 0.53502180 -15.53669846
-0.00028629 0.00005354 -0.00023476
0.00186471 -0.00182639 -0.00053982
2.43050087 -1.01450254 -17.32697350
-0.00068646 0.00014944 0.00048704
0.03670505 -0.00730717 -0.00386484
12.15817240 22.76711737 -22.32223202
0.00053461 -0.00106953 0.00024375
-0.00040489 -0.04161458 -0.02500907
9.97421287 21.19540072 -23.13424573
0.00059350 -0.00030724 -0.00027491
-0.02978687 -0.00996297 -0.00719903
-9.85990546 16.13650770 -17.10934508
-0.00035657 -0.00050501 -0.00001507
-0.01969475 -0.00718225 0.00261260
-10.80063069 15.25399226 -14.41295951
-0.00007634 0.00093509 -0.00096448
-0.00489674 -0.00202085 -0.01379717
3.12400934 18.55001138 11.37593685
0.00057066 0.00057300 0.00007072
-0.05524068 0.04025765 0.01706879
4.89700071 18.03817636 9.14332547
-0.00022942 0.00087046 -0.00064152
-0.00323863 0.00647782 -0.00871561
-3.73097059 -10.44384757 -3.23949204
-0.00127170 0.00007356 -0.00081278
-0.05160524 0.02121728 0.01167889
-1.31938373 -11.40325017 -1.84014622
0.00030861 -0.00053017 -0.00087622
-0.01855571 0.01222211 -0.01764329
0.12846696 -7.10871024 4.85565954
0.00009660 -0.00101756 0.00023182
0.00852943 -0.00228264 0.00020847
2.87228338 -8.37748917 4.63175533
0.00038507 -0.00052303 0.00128709
-0.02244105 0.01008811 -0.00779700
8.14257213 1.96839408 9.27258248
-0.00115342 -0.00032273 -0.00094107
0.00398858 -0.00065814 -0.00115741
9.67319906 3.54431244 7.44054063
0.00038964 0.00075660 0.00039042
-0.00067044 0.02814596 -0.00800801
-7.97116431 -8.75345689 -4.46607566
0.00042063 0.00067229 0.00020669
0.00978578 -0.00699858 0.01832208
-8.05069716 -10.17727398 -1.93149601
0.00095717 -0.00018403 0.00042262
-0.02434848 -0.01517916 0.01645998
4.88279996 -13.64164475 -11.93190232
-0.00041350 0.00002232 -0.00010818
-0.01550664 0.01652370 -0.01772339
2.40167639 -13.18554505 -13.74308882
0.00037963 0.00004061 -0.00033270
-0.00125612 -0.00356168 0.00676410
1.34881686 -6.05379280 0.10221765
-0.00000949 -0.00053483 0.00095722
-0.00260861 -0.00351854 0.00854152
-0.16416125 -3.58324799 -0.26532659
-0.00016397 -0.00020570 -0.00015128
-0.00563255 -0.00440429 0.00630589
17.50454304 3.41540810 25.77124950
-0.00007428 -0.00038979 -0.00012581
-0.00401106 0.00748764 0.00904189
16.55602302 3.22330840 28.51379490
0.00024584 -0.00024931 0.00070792
0.00338982 0.01835376 -0.02073207
-10.84248880 7.28220717 -3.95643141
-0.00032801 -0.00029428 0.00117539
-0.02346809 0.01910415 0.01241002
-8.47797552 7.12112735 -5.46924302
0.00119674 -0.00059906 0.00019904
0.00916309 0.00169395 -0.00549078
-6.41258726 16.04190830 -9.15681544
-0.00008730 -0.00034477 0.00004586
0.00537195 -0.00153068 0.00015621
-4.81138913 14.29284699 -10.94122628
-0.00015219 0.00033040 -0.00058228
0.00344931 0.00083205 0.00497607
2.80225862 10.66600585 -5.73868365
-0.00035793 0.00072384 0.00058979
0.00564406 0.02377677 -0.02019346
1.38315101 13.13116674 -6.91216599
-0.00019019 -0.00009309 -0.00040212
0.02545447 -0.01110583 0.00464030
-2.67992334 10.97212552 -14.22400407
-0.00055271 0.00104238 0.00027294
0.00595876 0.00463138 -0.00205286
-5.30748438 10.46828044 -13.34118570
0.00042024 0.00060103 0.00048039
-0.00299402 0.01134927 -0.00099785
4.29817617 7.85918570 19.08686602
0.00091041 -0.00042969 0.00025989
-0.00716309 -0.00860635 -0.01158350
1.96584220 7.06168030 17.34328889
-0.00005143 -0.00052080 0.00049369
0.01551713 -0.00212464 0.00738745
-13.43682409 8.73449866 -8.84897295
0.00075605 0.00003500 -0.00089811
-0.02940874 -0.00626847 0.00634572
-16.30658334 8.35900371 -7.60568149
-0.00033753 0.00055908 -0.00022103
0.00855630 -0.00508470 0.01627893
5.30895738 10.38404242 0.28362672
0.00006841 0.00109115 0.00072030
-0.03896242 -0.02084871 0.01325752
2.16629852 9.84321270 1.43951117
0.00026606 0.00168347 -0.00077373
0.04047679 -0.00819843 -0.02508636
14.33535415 -23.83943531 -25.57294778
-0.00012617 0.00033426 -0.00014214
-0.00233235 -0.00205147 0.00368680
14.94821582 -24.02912092 -28.37741674
0.00008140 -0.00119959 -0.00028028
0.02027743 -0.00355519 0.03402921
4.42558214 3.40133907 -0.91342520
-0.00082955 -0.00008189 0.00045377
0.01367075 0.01333590 0.01488960
5.01172312 5.82741623 0.50672745
0.00087305 0.00055528 0.00136412
0.00283431 0.00617513 0.00592211
17.18873430 -3.65064347 -0.45132622
0.00110467 0.00059469 -0.00042909
0.00453921 0.00090732 -0.00547328
16.48646282 -6.51610694 -0.76515347
-0.00116555 0.00044338 -0.00047216
-0.01228894 -0.01341264 -0.02707556
-6.30339788 2.83562927 -1.72354637
0.00059302 -0.00051253 -0.00093113
0.02401763 0.00271803 -0.00754378
-5.16097181 1.08327786 -3.67896698
0.00058458 0.00105989 -0.00042994
0.00367434 -0.00924997 -0.00319951
2.49646544 2.87566590 -11.31324751
0.00003903 -0.00021300 0.00019073
0.02527392 0.00605872 0.00565258
0.00573038 1.65532476 -10.52028171
0.00186456 0.00010810 -0.00044402
-0.00482452 -0.01569388 0.01213358
17.08232680 7.91761540 -7.79271856
0.00019022 0.00151290 0.00070958
-0.02558391 0.00072592 -0.00582209
16.19338285 10.58608796 -7.09434370
-0.00034446 -0.00039746 0.00043219
-0.01459978 -0.01151653 0.00104494
-6.68795641 0.39603235 11.02265004
-0.00097189 0.00017878 -0.00037313
-0.00467833 0.01408056 0.01333479
-7.81793004 1.72367479 13.50031200
-0.00001758 -0.00093241 0.00098574
-0.03937894 0.01211734 0.01240671
-2.25046461 -16.77375351 13.91341223
-0.00022240 0.00019880 0.00016009
0.02562067 -0.00017406 0.02548641
-4.51458891 -17.55104101 12.53466010
-0.00050452 0.00089857 -0.00056557
-0.04095729 -0.05196724 -0.01488365
6.85297535 -6.31784452 -4.37725996
-0.00055415 -0.00001617 -0.00089747
0.01280388 0.00193557 -0.00576662
5.53417652 -7.94970957 -6.20494088
-0.00004662 0.00063473 0.00016496
-0.00794931 -0.01149498 -0.00654031
-2.81485638 -11.49222065 2.25807668
-0.00025074 0.00024364 -0.00018554
0.00214074 -0.00317822 -0.00284071
-0.24935460 -10.22630707 2.46139160
-0.00004506 0.00073473 -0.00082933
0.00185578 0.00542926 -0.00004238
-14.63807937 -0.90065035 5.78283246
0.00041498 0.00028072 0.00071227
-0.03097121 -0.01195669 -0.00110149
-15.92315313 -1.88230358 3.36679041
0.00021566 -0.00026963 0.00047603
-0.00614969 0.00543020 0.02600907
-9.56594781 4.81809998 -23.31004928
0.00002143 -0.00035061 -0.00070129
0.00253195 -0.01161319 0.00755798
-8.97779875 4.56032327 -20.36560083
0.00002881 -0.00059072 -0.00041040
-0.00367803 -0.01867393 -0.03364989
1.77128272 1.18071972 -3.18197742
0.00064167 -0.00038366 -0.00006154
0.02301308 0.00305760 0.03541597
0.67255218 0.41642577 -0.70711367
-0.00084253 -0.00065853 0.00080825
-0.01208196 -0.00399104 0.01913107
14.03329576 9.54458075 3.60152559
0.00073652 -0.00056858 -0.00040153
-0.02653111 -0.01225677 0.00399707
11.34772900 9.13090188 2.52027672
-0.00080640 -0.00083066 -0.00062053
-0.00975545 0.00822245 -0.01558816
5.43536550 -9.17225834 -10.58413670
-0.00007480 -0.00022436 0.00009435
-0.00082394 0.00503155 -0.00552736
-13.02124332 10.41787995 21.22034239
0.00004817 -0.00003098 0.00011846
0.00627152 0.00095755 -0.00233084
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06829251
0.31773358
423.36406696
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1876257436
ExchangeOperator: bisection time: 1.876 s
total exchange = -52.3654249961 (a.u.)
total exchange computation time: 3.3365800381 s
-154.1789589252
-931.38680426
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1876257436
ExchangeOperator: bisection time: 1.878 s
total exchange = -52.3651779753 (a.u.)
total exchange computation time: 3.3368189335 s
-154.1819818294
Anderson extrapolation: theta=1.3538856485 (1.3538856485)
-931.38705119
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1876257436
ExchangeOperator: bisection time: 1.875 s
total exchange = -52.3647521976 (a.u.)
total exchange computation time: 3.3384950161 s
-154.1867814199
Anderson extrapolation: theta=0.0556664351 (0.0556664351)
-931.38720081
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1876257436
ExchangeOperator: bisection time: 1.878 s
total exchange = -52.3646538022 (a.u.)
total exchange computation time: 3.3356990814 s
-154.1876771285
Anderson extrapolation: theta=2.0455805141 (2.0000000000)
-931.38720720
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1876257436
ExchangeOperator: bisection time: 1.874 s
total exchange = -52.3644322236 (a.u.)
total exchange computation time: 3.3355209827 s
-154.1896251138
Anderson extrapolation: theta=0.2643571774 (0.2643571774)
-931.38721468
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1876257436
ExchangeOperator: bisection time: 1.875 s
total exchange = -52.3643675223 (a.u.)
total exchange computation time: 3.3361818790 s
-154.1901392590
Anderson extrapolation: theta=1.7054092029 (1.7054092029)
-931.38721634
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1876257436
ExchangeOperator: bisection time: 1.875 s
total exchange = -52.3642764934 (a.u.)
total exchange computation time: 3.3357410431 s
-154.1908066689
Anderson extrapolation: theta=0.3291417539 (0.3291417539)
-931.38721825
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1876257436
ExchangeOperator: bisection time: 1.877 s
total exchange = -52.3642670416 (a.u.)
total exchange computation time: 3.3363008499 s
-154.1908188116
Anderson extrapolation: theta=1.2090912634 (1.2090912634)
-931.38721876
238.181616 32.022402 245.886464
-142.248871 490.107243 -805.421690
95.932744 522.129645 -559.535226
771.298987
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1876257436
ExchangeOperator: bisection time: 1.877 s
total exchange = -52.3642713370 (a.u.)
total exchange computation time: 3.3444449902 s
678.67565306
-1083.25615975
89.81854071
-389.46222648
-174.79875530
78.06996696
551.60419304
0.00000000
-931.38721910
-8.78306656 -3.91576155 3.57404557
0.00013879 -0.00015219 0.00034197
-0.01134897 0.01350381 -0.01957518
-17.84581207 4.48844857 6.52244537
0.00006908 -0.00025396 -0.00010446
0.00499039 0.03310512 0.02887941
-15.57321410 -0.90130452 0.50600491
0.00007632 -0.00006982 -0.00028942
-0.00762419 0.02640482 0.00037291
3.35861844 -20.68198650 15.61297096
-0.00035735 0.00019835 -0.00020796
-0.03720117 0.01630886 -0.00970860
7.54752916 15.97046316 -1.33801186
0.00032195 0.00017780 -0.00001540
0.01126691 -0.02496465 -0.01703071
-9.81582916 9.55740105 11.11945381
-0.00013412 -0.00029638 -0.00008173
-0.02001914 0.03031600 -0.00570347
-8.22700817 -0.52200323 -14.22643200
-0.00018979 0.00024228 -0.00013848
-0.00438863 0.00530537 0.00504644
-10.81908891 2.30005693 -7.08714929
0.00014566 0.00035562 0.00033780
0.00158524 0.01307402 0.00642957
-0.25859883 -5.74479941 15.22715285
-0.00013022 0.00002366 0.00033037
-0.01532063 -0.00450300 -0.03709013
-25.54588805 -0.64148163 -20.74101941
-0.00041080 -0.00011931 0.00010594
-0.01223413 -0.01335864 -0.03373266
8.85901175 7.49901493 7.85858805
-0.00001516 -0.00002132 0.00002485
0.01806953 0.01912419 -0.01053248
20.77963812 28.74598659 -4.97594023
0.00005498 -0.00012393 -0.00020789
-0.01077107 -0.00877108 0.02098103
7.76620229 -1.56835321 -7.22316963
-0.00007273 0.00002717 -0.00007414
-0.04272188 0.02873056 0.00535750
-9.33089495 -3.52374128 13.43060067
0.00020580 0.00011376 0.00038108
0.00759363 0.03135125 -0.04204154
-1.30028587 -22.76258671 13.91629043
0.00007886 0.00006476 0.00011376
0.00707753 0.02163072 -0.00450412
-11.08212290 -8.66610780 -8.20897768
0.00011288 0.00027823 0.00018085
0.03703223 0.01394128 -0.03672023
-15.91196815 -8.56413440 -15.51792419
0.00004946 -0.00003108 0.00008686
0.00089679 0.04792264 0.00486023
16.65223669 12.67678145 3.57339279
0.00037973 0.00011433 0.00014433
0.00657664 0.00845803 -0.02068468
20.22302657 -4.59609449 -14.73294181
-0.00027032 -0.00016501 0.00001701
0.00655477 0.01492941 -0.01265255
-0.50013356 8.14648461 -14.88063746
0.00032357 0.00008338 -0.00007921
-0.00703362 0.00690350 0.00862130
0.73834052 -0.74640593 -16.86045870
-0.00015822 0.00035414 -0.00030487
-0.04584989 0.01508831 0.01546087
11.75815631 20.99613624 -23.16820603
0.00034890 -0.00004460 -0.00002658
0.03395650 0.04193144 0.03057417
-11.28333168 15.23614673 -16.19592848
0.00003919 0.00011737 -0.00030196
0.01128932 -0.00329568 0.01639834
4.43841471 17.59772296 10.82941374
0.00035731 0.00008189 -0.00030234
0.05538345 -0.04742049 -0.01371848
-2.14618774 -11.09366451 -3.54464234
0.00000203 -0.00000234 0.00022450
0.05974463 -0.02400591 0.00789215
1.21951189 -8.11030631 3.74019217
0.00000840 -0.00014293 0.00011801
0.02907207 0.00842101 0.02074523
9.61516031 1.92986880 8.19765533
0.00000790 0.00025721 0.00021155
-0.00839977 -0.02026528 0.00435492
-6.93246021 -9.33891249 -3.02974235
-0.00014196 0.00034970 -0.00018281
0.00867814 0.02596493 -0.02872359
3.90239604 -12.41982635 -13.00643516
-0.00010156 0.00035365 -0.00022818
0.01424345 -0.01286092 0.01100919
1.18302346 -4.58664449 -0.95006992
0.00013707 0.00022336 0.00008184
0.00754458 -0.00020401 -0.00908120
16.98864813 4.48754742 27.17409833
0.00037423 0.00020382 -0.00032325
-0.00241737 -0.03186952 0.01696323
-9.62103880 6.08404904 -4.45740017
-0.00013914 -0.00013899 0.00014824
0.00587172 -0.00364850 0.00921343
-4.94713292 14.93047589 -9.21748727
0.00037789 0.00001998 -0.00020274
-0.00561788 0.00019851 -0.00260360
3.03224276 12.18342678 -6.85649179
-0.00013844 0.00002876 -0.00007569
-0.03225839 -0.00427277 0.01328154
-4.20258112 11.89116587 -13.76414245
0.00028022 0.00004334 0.00001419
-0.01224642 -0.00911588 0.00838032
3.85881436 7.23338678 17.37557719
0.00005528 0.00013183 -0.00019364
-0.01760820 0.00785090 0.00797787
-15.31055022 8.73603712 -9.07256795
-0.00047956 -0.00020949 0.00001080
0.03380049 0.00813344 -0.02092697
3.73768019 9.23660514 0.50165095
-0.00006941 -0.00013792 0.00016139
0.00897139 0.02172675 0.00568549
15.82637299 -24.02663061 -26.65863874
0.00019883 -0.00005669 -0.00003001
-0.02625611 -0.00026510 -0.03433247
5.76165154 4.19086502 0.15187588
-0.00015941 -0.00015501 0.00019090
-0.01439990 -0.00602344 -0.01315293
17.15136334 -5.28602143 0.33942137
0.00034022 0.00000796 -0.00017484
0.00770438 0.00985492 0.01991440
-4.65327493 2.47048566 -2.57443081
-0.00049617 -0.00021697 0.00045270
-0.00843025 0.01749514 0.01316702
0.87717020 2.42409183 -11.87718635
-0.00035896 0.00018100 -0.00003417
-0.00999250 0.01278917 -0.03824227
15.44655502 8.90525516 -7.41823478
-0.00022927 -0.00030679 0.00022400
0.04283734 0.01879823 0.00864013
-6.37655849 0.97108777 12.78125611
-0.00031060 0.00015034 0.00016389
0.04543829 -0.01910305 -0.03594205
-3.51574085 -16.17777053 12.83005697
-0.00014201 -0.00015109 0.00032901
0.01871203 0.05294580 -0.02329389
7.05618226 -6.92352573 -6.14648358
0.00006469 0.00033416 -0.00038486
-0.00842394 0.01406038 0.01372014
-1.12009556 -11.57232309 1.50738875
0.00008665 -0.00020807 -0.00043320
-0.01219674 -0.00703902 -0.00101783
-16.23948840 -1.77904920 5.27968962
0.00037406 -0.00001206 0.00037829
0.03621715 0.00975813 -0.01278698
-9.12745529 3.54444915 -22.01093235
-0.00025165 -0.00027950 -0.00034798
0.00449756 0.03555899 0.02915950
2.16391227 1.22047168 -1.29236423
-0.00020349 -0.00016447 -0.00018852
-0.02601337 -0.00894499 -0.05502204
12.45516995 8.53459951 3.81838183
0.00024597 -0.00014966 -0.00005241
0.03119382 0.00648110 0.00210231
-7.43615258 -4.16054754 2.38587181
-0.00069616 -0.00057820 0.00128414
0.03382102 -0.01106809 0.00003268
-9.97017408 -3.57405908 2.18561597
-0.00030693 -0.00131033 -0.00049037
-0.01116683 0.00989546 0.01313840
-16.64137292 5.89639720 6.99091847
0.00023886 -0.00055506 -0.00017619
-0.01476571 -0.02800768 -0.01583554
-17.20160183 3.57277960 5.12699308
-0.00014864 -0.00034660 -0.00079267
0.01214497 -0.00228370 -0.01466637
-16.33715763 0.83350321 0.50066387
-0.00089789 0.00051606 -0.00024209
0.02666711 -0.00877318 0.01036967
-17.00957104 -1.66704514 -0.23923854
0.00131811 0.00044519 0.00033245
-0.01385728 -0.02396982 -0.01664767
1.61406210 -20.84545059 14.92114439
-0.00079586 -0.00046003 -0.00028313
0.01564799 -0.02081965 0.00522137
3.31900304 -18.85381696 15.75096844
-0.00032731 -0.00023034 0.00053977
0.02034674 0.00402998 0.00835306
8.26692621 14.22630896 -1.22912597
-0.00038587 -0.00040190 0.00026637
-0.00492782 0.00893918 -0.00358146
7.41825071 16.41732886 0.36742997
-0.00067377 -0.00042927 0.00040487
-0.00548952 0.01368990 0.02667179
-8.46012757 9.44803078 12.39169531
-0.00052477 0.00093575 -0.00013579
-0.00497685 -0.00782988 0.00148220
-10.65592105 11.21177755 11.57279607
-0.00018485 -0.00034340 -0.00025547
0.01509016 -0.03010668 -0.00212101
-9.92695150 0.18728257 -14.55844130
-0.00106226 0.00087053 -0.00039917
0.00896598 0.00064456 0.01098646
-8.20526576 -2.03666042 -15.21487979
0.00053415 -0.00058147 -0.00097663
0.00187668 -0.00508777 -0.01088961
-12.21522190 1.11909788 -7.04979329
-0.00038006 -0.00042631 0.00016492
0.00125102 0.00069291 0.00598692
-10.94737007 3.68086208 -5.76518312
-0.00105768 -0.00021065 0.00000978
0.00427421 -0.02278384 -0.02359290
-1.97357072 -6.20036130 14.60622501
-0.00045704 -0.00066430 0.00015484
0.01237351 0.00174584 0.00226628
-0.37311938 -5.65930306 16.98730193
-0.00021332 0.00019455 0.00012122
-0.00044179 -0.00057215 0.03846363
-24.93477138 -0.53340967 -19.09711829
0.00016065 0.00020631 -0.00027687
0.02063646 0.00679664 0.03289296
-25.59810726 0.97140388 -21.57221798
0.00007650 -0.00102939 -0.00022930
-0.00142559 0.00733281 -0.00705690
9.52127122 8.73713204 6.61398530
0.00012326 -0.00033130 -0.00071634
-0.00673434 -0.02206775 0.00557944
10.10262086 7.85441579 9.19909376
-0.00003621 0.00037766 0.00022228
-0.00539278 -0.00583560 0.00048601
19.76073177 27.47768040 -4.02701505
0.00003681 0.00014718 0.00034917
0.01105165 0.01071704 -0.00763903
20.16121096 30.46780771 -4.34498436
0.00051250 -0.00051850 -0.00051925
0.00780515 -0.01170380 -0.00956458
6.05898390 -0.67224511 -6.94585821
-0.00040788 -0.00091303 -0.00048095
0.04155224 -0.01520994 -0.00879280
7.26827539 -3.31226891 -7.19071206
0.00075943 0.00027833 0.00020241
-0.00060223 -0.01456460 0.00123150
-8.75844579 -2.17360957 12.18747048
-0.00047480 0.00012889 0.00029141
-0.00093916 -0.03001254 0.02415816
-11.09972107 -3.05920832 13.36911127
0.00076466 -0.00067555 -0.00068891
-0.00890620 -0.00404057 0.01312335
-1.33191351 -24.21226605 14.98085746
0.00063581 0.00002260 0.00056311
0.00250323 -0.01800374 0.00427713
-3.00258107 -22.13584188 13.79441864
0.00019122 0.00009367 0.00113939
-0.01424994 -0.00068481 0.00085455
-12.34084342 -7.97976646 -7.06765843
-0.00057536 -0.00117144 -0.00026978
-0.01424563 0.01014166 0.00097466
-10.30915696 -7.28201512 -9.28234081
-0.00044891 -0.00105736 0.00150446
-0.02177479 -0.02080414 0.03501339
-16.20912957 -10.24110622 -15.86646600
0.00001207 -0.00005218 -0.00063586
-0.00662148 -0.05290051 -0.00214187
-14.23896089 -8.13967548 -16.18860888
0.00010704 -0.00018052 -0.00013243
0.00103349 0.00423236 -0.00033014
17.09358894 12.77560441 5.34639531
0.00076521 0.00048773 -0.00014700
0.00099476 0.00062147 0.00711522
17.35110129 14.17895232 2.71740991
-0.00021833 0.00076189 -0.00006970
-0.00932920 -0.01044569 0.01148143
18.45244060 -4.25681934 -15.04066565
-0.00015063 -0.00027982 0.00003966
0.00744639 -0.00050997 0.00055057
21.16490020 -3.07268585 -15.40555182
-0.00078854 0.00145533 -0.00039090
-0.00981623 -0.01921032 0.00691071
-1.38626520 7.21890673 -13.55579323
0.00113887 -0.00088317 0.00041709
0.00941560 -0.00681277 -0.01126416
0.11441016 7.00537586 -16.16695226
-0.00013430 0.00013089 -0.00133265
-0.00606172 -0.00579315 0.00471783
0.82700207 0.53576892 -15.54023643
-0.00027899 0.00004806 -0.00023531
0.00170884 -0.00085361 0.00026942
2.42132879 -1.01248492 -17.31978639
-0.00052539 0.00011698 0.00046781
0.04213866 -0.00858062 -0.00554898
12.16617917 22.74979923 -22.31934219
0.00053338 -0.00123378 0.00014344
-0.00019696 -0.03878755 -0.02409313
9.98220255 21.19048688 -23.13858997
0.00046804 -0.00034695 -0.00030423
-0.03162330 -0.00947713 -0.00715502
-9.86585751 16.12871250 -17.10949099
-0.00043177 -0.00053120 -0.00000813
-0.01711584 -0.00563997 0.00077980
-10.80192580 15.26795662 -14.42784954
-0.00009437 0.00092650 -0.00101043
-0.00392884 -0.00218338 -0.00869615
3.13087652 18.55984003 11.37752068
0.00035151 0.00073291 0.00013904
-0.05203632 0.03801865 0.01637454
4.89346018 18.05143171 9.13343555
-0.00024344 0.00089475 -0.00067149
-0.00362380 0.00541620 -0.00595139
-3.75162739 -10.44209395 -3.25132586
-0.00146120 0.00015171 -0.00076678
-0.04115540 0.01703686 0.01084026
-1.31532321 -11.41082815 -1.85383014
0.00023323 -0.00047997 -0.00094011
-0.01834026 0.01235143 -0.01363067
0.13017727 -7.12404361 4.85914319
0.00012681 -0.00102277 0.00023619
0.00625823 -0.00026694 0.00193030
2.87737177 -8.38502547 4.65082275
0.00028515 -0.00048059 0.00124934
-0.02647295 0.01068583 -0.01068332
8.12539299 1.96353294 9.25843094
-0.00113394 -0.00032504 -0.00094801
0.00554911 -0.00047174 -0.00224054
9.67902314 3.55652386 7.44615158
0.00038631 0.00086491 0.00036130
-0.00096004 0.02487521 -0.00624684
-7.96455501 -8.74358700 -4.46241381
0.00045496 0.00064478 0.00027727
0.00702033 -0.00646643 0.01622526
-8.03708578 -10.18049958 -1.92465234
0.00085690 -0.00024567 0.00048838
-0.02473134 -0.01499160 0.01573236
4.87612230 -13.64080361 -11.93406818
-0.00047646 0.00009101 -0.00018080
-0.01531382 0.01710211 -0.01782066
2.40733229 -13.18504504 -13.74787212
0.00037108 0.00002526 -0.00030708
-0.00292781 -0.00395114 0.00578039
1.34859464 -6.06192311 0.11683761
-0.00002169 -0.00053469 0.00098150
-0.00336737 0.00358855 0.00334580
-0.16679333 -3.58646850 -0.26740249
-0.00018831 -0.00022272 -0.00012501
-0.00628470 -0.00392707 0.00655119
17.50330599 3.40979073 25.76963945
-0.00009084 -0.00035886 -0.00008870
-0.00409656 0.00764998 0.00912189
16.55981455 3.22013120 28.52377846
0.00026241 -0.00016611 0.00061412
0.00472197 0.02237220 -0.02518713
-10.84812807 7.27837841 -3.93842035
-0.00041692 -0.00021923 0.00122238
-0.02005516 0.01763368 0.01059254
-8.45974364 7.11219332 -5.46642562
0.00122608 -0.00059458 0.00018192
0.00519877 0.00049884 -0.00288918
-6.41373221 16.03668979 -9.15612269
-0.00006347 -0.00035169 0.00004689
0.00629305 -0.00185422 0.00034593
-4.81356621 14.29782844 -10.94980798
-0.00013734 0.00033435 -0.00055920
0.00381976 0.00110417 0.00631935
2.79706258 10.67759206 -5.73045554
-0.00033471 0.00081839 0.00050813
0.00572587 0.02250667 -0.01977949
1.38107817 13.12943000 -6.91805558
-0.00008658 -0.00013759 -0.00038302
0.02526328 -0.01067496 0.00470980
-2.68803146 10.98790317 -14.21997282
-0.00051290 0.00105146 0.00026027
0.01353059 -0.00018578 -0.00414993
-5.30127252 10.47764367 -13.33401042
0.00040516 0.00064253 0.00047711
-0.00438742 0.00896443 -0.00060951
4.31161281 7.85247662 19.09040943
0.00087907 -0.00046636 0.00020741
-0.00817544 -0.00934527 -0.01410790
1.96554621 7.05380323 17.35092054
0.00001380 -0.00052847 0.00052367
0.01641613 -0.00163185 0.00729248
-13.42638444 8.73483159 -8.86225022
0.00062223 0.00000891 -0.00087193
-0.03609730 -0.00650359 0.00647318
-16.31138408 8.36723403 -7.60849805
-0.00030517 0.00053657 -0.00014828
0.00728592 -0.00593438 0.01932870
5.30878954 10.39977073 0.29483754
-0.00009488 0.00099970 0.00077280
-0.04096854 -0.02391524 0.01243727
2.17152979 9.86821359 1.42713643
0.00042803 0.00164723 -0.00087432
0.03880693 -0.00954580 -0.02415218
14.33339020 -23.83448430 -25.57496686
-0.00013277 0.00032567 -0.00012885
-0.00090135 -0.00215258 0.00281711
14.95005819 -24.04722372 -28.38057819
0.00016521 -0.00121322 -0.00013912
0.02074762 -0.00311768 0.03506904
4.41355781 3.40051931 -0.90616236
-0.00077260 -0.00002444 0.00051628
0.01420699 0.01478990 0.01570886
5.02490571 5.83593464 0.52737070
0.00088569 0.00057328 0.00138547
0.00335200 0.00263494 0.00453015
17.20544337 -3.64169524 -0.45793026
0.00112195 0.00058911 -0.00044610
0.00392203 -0.00363907 -0.00285436
16.46860301 -6.50986725 -0.77306555
-0.00121194 0.00039489 -0.00057704
-0.01042019 -0.01032402 -0.02426300
-6.29376668 2.82802454 -1.73774446
0.00067372 -0.00049769 -0.00095259
0.01548845 0.00454720 -0.00296103
-5.15209052 1.09889273 -3.68551416
0.00059680 0.00101496 -0.00044839
0.00230719 -0.01274246 -0.00583136
2.49782531 2.87265661 -11.31021334
0.00013680 -0.00018914 0.00020946
0.02258460 0.00562137 0.00351641
0.03355089 1.65646540 -10.52657027
0.00182975 0.00003237 -0.00037583
-0.01221450 -0.02138008 0.02124973
17.08439611 7.94033110 -7.78225329
0.00008898 0.00150933 0.00068387
-0.02397254 -0.00247012 -0.00676335
16.18776855 10.57977315 -7.08782887
-0.00040520 -0.00044158 0.00043742
-0.01513215 -0.01007991 0.00151824
-6.70267810 0.39914551 11.01746176
-0.00098957 0.00023825 -0.00031183
-0.00397777 0.01502999 0.01667232
-7.81940050 1.71005992 13.51547824
-0.00018251 -0.00088054 0.00103860
-0.04135102 0.01327587 0.01347099
-2.25301549 -16.77077690 13.91659450
-0.00011643 0.00019475 0.00026579
0.02624918 -0.00180747 0.02625476
-4.52341180 -17.53915487 12.52572045
-0.00067510 0.00068049 -0.00062710
-0.04254057 -0.05478317 -0.01523398
6.84505550 -6.31802782 -4.39089878
-0.00050043 -0.00000502 -0.00091416
0.01348928 0.00352326 -0.00239991
5.53323360 -7.94054079 -6.20266696
-0.00008029 0.00058632 0.00013613
-0.00852959 -0.01220597 -0.00757242
-2.81855192 -11.48866345 2.25520652
-0.00023669 0.00023053 -0.00019952
0.00473684 -0.00324103 -0.00400159
-0.24997359 -10.21511973 2.44895037
-0.00004009 0.00075194 -0.00083180
0.00057349 0.00299602 -0.00116649
-14.63280376 -0.89680597 5.79348280
0.00028660 0.00023050 0.00070594
-0.03186889 -0.01262434 -0.00200003
-15.92010661 -1.88618161 3.37472781
0.00019132 -0.00024698 0.00058117
-0.00576787 0.00565387 0.02545922
-9.56554882 4.81248502 -23.32033697
0.00003236 -0.00039874 -0.00066911
0.00282111 -0.01194945 0.00819355
-8.97747931 4.55089021 -20.37278796
0.00001358 -0.00066521 -0.00054647
-0.00377586 -0.01779082 -0.03295826
1.78161298 1.17505855 -3.18181521
0.00073267 -0.00037208 0.00008037
0.02153078 0.00261187 0.03405033
0.65954404 0.40642559 -0.69440361
-0.00087578 -0.00066605 0.00087766
-0.00419493 0.00030906 0.01484516
14.04353059 9.53567649 3.59562514
0.00062490 -0.00061892 -0.00038594
-0.02810763 -0.01238529 0.00363612
11.33533400 9.11869396 2.51049108
-0.00083588 -0.00080057 -0.00067457
-0.00467220 0.00650825 -0.01086552
5.43424123 -9.17561021 -10.58273631
-0.00007511 -0.00022254 0.00009236
-0.00090433 0.00513928 -0.00559545
-13.02050991 10.41741698 21.22211518
0.00004961 -0.00003075 0.00011793
0.00616544 0.00094802 -0.00218490
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06866066
0.31855844
424.46315311
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1865008112
ExchangeOperator: bisection time: 1.877 s
total exchange = -52.3615085041 (a.u.)
total exchange computation time: 3.3384799957 s
-154.1670568223
-931.38667990
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1865008112
ExchangeOperator: bisection time: 1.874 s
total exchange = -52.3614301147 (a.u.)
total exchange computation time: 3.3355629444 s
-154.1693661919
Anderson extrapolation: theta=1.4070239803 (1.4070239803)
-931.38694463
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1865008112
ExchangeOperator: bisection time: 1.878 s
total exchange = -52.3612985410 (a.u.)
total exchange computation time: 3.3389289379 s
-154.1730327280
Anderson extrapolation: theta=0.0748273805 (0.0748273805)
-931.38711884
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1865008112
ExchangeOperator: bisection time: 1.877 s
total exchange = -52.3612719392 (a.u.)
total exchange computation time: 3.3353140354 s
-154.1736989779
Anderson extrapolation: theta=2.3610777383 (2.0000000000)
-931.38713054
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1865008112
ExchangeOperator: bisection time: 1.875 s
total exchange = -52.3612223973 (a.u.)
total exchange computation time: 3.3353211880 s
-154.1750658016
Anderson extrapolation: theta=0.4244878123 (0.4244878123)
-931.38714690
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1865008112
ExchangeOperator: bisection time: 1.876 s
total exchange = -52.3612176157 (a.u.)
total exchange computation time: 3.3347887993 s
-154.1755142593
Anderson extrapolation: theta=0.8918188332 (0.8918188332)
-931.38715168
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1865008112
ExchangeOperator: bisection time: 1.878 s
total exchange = -52.3612365196 (a.u.)
total exchange computation time: 3.3357601166 s
-154.1756838871
Anderson extrapolation: theta=0.5317562887 (0.5317562887)
-931.38715476
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1865008112
ExchangeOperator: bisection time: 1.875 s
total exchange = -52.3612670828 (a.u.)
total exchange computation time: 3.3380990028 s
-154.1755597164
Anderson extrapolation: theta=0.6928510431 (0.6928510431)
-931.38715588
238.140539 31.991610 245.860396
-142.265883 490.100167 -805.450341
95.874655 522.091777 -559.589945
771.305827
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1865008112
ExchangeOperator: bisection time: 1.877 s
total exchange = -52.3613014089 (a.u.)
total exchange computation time: 3.3362278938 s
678.63727676
-1083.17640373
89.82369957
-389.51792535
-174.79250218
78.02178079
551.60419304
0.00000000
-931.38715634
-8.78102853 -3.91799236 3.57909955
0.00013051 -0.00014481 0.00033232
-0.02084642 0.01520610 -0.01793062
-17.84475655 4.48476688 6.52098986
0.00007195 -0.00023783 -0.00009062
0.00614104 0.02960954 0.02493409
-15.57209869 -0.90224995 0.50166506
0.00007436 -0.00005361 -0.00028777
-0.00000224 0.03662534 0.00603489
3.35311462 -20.67894840 15.60981416
-0.00037696 0.00020576 -0.00021320
-0.03903897 0.01251575 -0.01066259
7.55240192 15.97303383 -1.33830851
0.00032780 0.00016484 -0.00002321
0.01147016 -0.02543069 -0.01336463
-9.81791811 9.55307228 11.11820587
-0.00014474 -0.00028065 -0.00008485
-0.02128945 0.03085608 -0.00643259
-8.22987194 -0.51834852 -14.22848972
-0.00019325 0.00024374 -0.00013730
-0.00905319 0.00036357 -0.00044513
-10.81689785 2.30544170 -7.08205752
0.00014500 0.00036057 0.00034065
-0.00417967 0.00616907 0.00464523
-0.26061120 -5.74446189 15.23196537
-0.00013875 0.00002112 0.00031075
-0.01785955 -0.00535393 -0.03921302
-25.55209722 -0.64332281 -20.73956036
-0.00041711 -0.00012734 0.00008913
-0.01231263 -0.01787507 -0.03164766
8.85885403 7.49876893 7.85892015
-0.00000555 -0.00001120 0.00001931
0.01929348 0.02022819 -0.01102493
20.78042133 28.74409375 -4.97897766
0.00004963 -0.00012914 -0.00019714
-0.01006781 -0.01148402 0.02081377
7.76494662 -1.56783487 -7.22426107
-0.00009434 0.00004256 -0.00007148
-0.04132527 0.03114149 0.00498760
-9.32777873 -3.52191398 13.43615476
0.00021073 0.00012945 0.00035953
0.01158222 0.02967602 -0.04176557
-1.29907563 -22.76153192 13.91797942
0.00008282 0.00007519 0.00011191
0.00831835 0.01892344 -0.00268362
-11.08028686 -8.66188055 -8.20640664
0.00013116 0.00028285 0.00016327
0.03406461 0.00403672 -0.03162330
-15.91122276 -8.56441581 -15.51660249
0.00004999 -0.00000719 0.00008914
0.00115511 0.04498055 0.00397645
16.65795798 12.67852898 3.57547800
0.00038327 0.00011922 0.00013319
0.00719977 0.01057244 -0.02264324
20.21899709 -4.59851201 -14.73273541
-0.00026600 -0.00015592 0.00000994
0.01025244 0.02039011 -0.01484265
-0.49530716 8.14776191 -14.88179233
0.00032007 0.00008564 -0.00007520
-0.00657090 0.00188531 0.00696475
0.73579041 -0.74103567 -16.86497208
-0.00018277 0.00036189 -0.00029684
-0.04961605 0.01504757 0.01577226
11.76352080 20.99562896 -23.16848677
0.00036638 -0.00002411 -0.00001125
0.03401314 0.03773534 0.02903942
-11.28270023 15.23789454 -16.20039466
0.00004386 0.00011513 -0.00029431
0.00685419 -0.00540611 0.01336858
4.44398804 17.59876836 10.82482569
0.00038445 0.00005884 -0.00030966
0.05013841 -0.04219956 -0.01475855
-2.14592677 -11.09379219 -3.54124433
0.00002952 -0.00001342 0.00022752
0.04712135 -0.01908844 0.00382925
1.21974997 -8.11241782 3.74204230
0.00002480 -0.00013917 0.00012882
0.03471694 0.00620837 0.02132026
9.61524647 1.93364883 8.20084539
0.00000327 0.00024781 0.00021350
-0.00960947 -0.01631433 0.00320873
-6.93455617 -9.33356683 -3.03259534
-0.00013682 0.00036261 -0.00019651
0.01131606 0.02423036 -0.02453885
3.90092752 -12.41457122 -13.00981544
-0.00009399 0.00034707 -0.00022237
0.01522079 -0.01273830 0.01159553
1.18510859 -4.58329484 -0.94887739
0.00014124 0.00022142 0.00007841
0.00865899 -0.00735922 -0.00425336
16.99425233 4.49048183 27.16931500
0.00037271 0.00018658 -0.00031355
-0.00350596 -0.03518214 0.02077907
-9.62310322 6.08195011 -4.45514105
-0.00013617 -0.00013989 0.00015292
0.00565918 0.00015942 0.00897878
-4.94148619 14.93077640 -9.22053840
0.00037471 0.00002010 -0.00020442
-0.00677236 0.00024310 -0.00392406
3.03004180 12.18384168 -6.85757586
-0.00015481 0.00002684 -0.00006904
-0.03141507 -0.00317163 0.01255542
-4.19842499 11.89178083 -13.76389732
0.00027234 0.00004053 0.00001897
-0.01841910 -0.00179945 0.01022811
3.85957564 7.23539457 17.37270341
0.00004633 0.00013593 -0.00018894
-0.01721067 0.00806404 0.01029131
-15.31761322 8.73292620 -9.07248671
-0.00046043 -0.00020509 -0.00000072
0.04060288 0.00894570 -0.02385016
3.73667359 9.23462019 0.50409376
-0.00006381 -0.00012586 0.00016425
0.01283058 0.02516360 0.00542925
15.82925414 -24.02748200 -26.65922136
0.00018501 -0.00005709 -0.00004761
-0.02748772 -0.00128359 -0.03408857
5.75920484 4.18851667 0.15468870
-0.00016712 -0.00015744 0.00018437
-0.01558840 -0.00345264 -0.01225799
17.15649639 -5.28586406 0.33687556
0.00034370 0.00001307 -0.00016604
0.00581282 0.01003490 0.01430398
-4.66075002 2.46729862 -2.56758946
-0.00049771 -0.00020787 0.00045863
0.00244231 0.01786842 0.00989462
0.87174719 2.42685614 -11.87784636
-0.00036158 0.00018910 -0.00005527
-0.00016659 0.01872978 -0.04382135
15.44328119 8.90072576 -7.41484145
-0.00020770 -0.00029673 0.00022858
0.04103017 0.02034844 0.00918225
-6.38104220 0.97326917 12.78357578
-0.00028725 0.00014029 0.00014458
0.04534175 -0.01995950 -0.03914513
-3.51779877 -16.17983269 12.83490230
-0.00013238 -0.00012353 0.00031692
0.01873309 0.05422387 -0.02374428
7.05712016 -6.91845905 -6.15220351
0.00006022 0.00034099 -0.00037846
-0.00895574 0.01250147 0.01117510
-1.11884281 -11.57547135 1.50088688
0.00008012 -0.00021104 -0.00043299
-0.01322516 -0.00451087 0.00180064
-16.23373776 -1.77919244 5.28531471
0.00039260 -0.00000698 0.00037208
0.03588138 0.00998843 -0.01137798
-9.13121262 3.54039381 -22.01603951
-0.00024935 -0.00026151 -0.00033340
0.00442030 0.03439732 0.02753874
2.16075962 1.21797010 -1.29540430
-0.00021832 -0.00016996 -0.00021514
-0.03165000 -0.01241089 -0.04850327
12.45897982 8.53237960 3.81760376
0.00026085 -0.00014593 -0.00005246
0.02666744 0.00802128 -0.00228681
-7.44555855 -4.16955970 2.40513496
-0.00054368 -0.00062463 0.00127250
0.04081802 -0.01166100 -0.00573361
-9.97512018 -3.59341075 2.17866302
-0.00034641 -0.00127059 -0.00042983
-0.00815969 0.00955400 0.01649634
-16.63824244 5.88721312 6.98779043
0.00017985 -0.00066743 -0.00024030
-0.01412234 -0.02700224 -0.01554700
-17.20345926 3.56751064 5.11465364
-0.00010251 -0.00035085 -0.00084504
0.01043558 0.00020337 -0.01096941
-16.34980884 0.84097522 0.49735021
-0.00078372 0.00047164 -0.00019936
0.02922171 -0.01297130 0.01054987
-16.99022399 -1.66110175 -0.23476188
0.00124114 0.00033478 0.00025341
-0.02382219 -0.03007722 -0.02204220
1.60260373 -20.85298896 14.91705750
-0.00072701 -0.00054274 -0.00025918
0.01805461 -0.01966973 0.00650015
3.31471682 -18.85714853 15.75932102
-0.00024551 -0.00020871 0.00057346
0.01969820 0.00655802 0.00813771
8.26098721 14.22055446 -1.22524024
-0.00040645 -0.00036244 0.00025096
-0.00514791 0.01037597 -0.00396146
7.40797588 16.41130935 0.37432035
-0.00069619 -0.00037532 0.00050665
-0.00548438 0.01271903 0.02314866
-8.46815161 9.46182716 12.38970391
-0.00054120 0.00090129 -0.00012721
-0.00306553 -0.00903944 0.00271759
-10.65823143 11.20570393 11.56889906
-0.00012475 -0.00046450 -0.00026477
0.01432994 -0.02916999 -0.00243469
-9.94261059 0.20036025 -14.56409224
-0.00101419 0.00086655 -0.00035265
0.01456457 -0.00259067 0.01178670
-8.19719600 -2.04553842 -15.22986294
0.00053964 -0.00058538 -0.00101103
0.00080968 0.00317335 -0.00595086
-12.22088450 1.11272450 -7.04713606
-0.00036469 -0.00041527 0.00018854
0.00627436 0.00471001 0.00557745
-10.96310436 3.67700423 -5.76575945
-0.00103930 -0.00029911 -0.00008247
0.00472528 -0.02052042 -0.02155958
-1.98004712 -6.21027233 14.60861711
-0.00040109 -0.00065502 0.00016601
0.01501215 0.00279539 0.00320196
-0.37633274 -5.65640236 16.99029882
-0.00021538 0.00019209 0.00028053
-0.00056679 -0.00063351 0.03952077
-24.93172932 -0.53010682 -19.10026341
0.00024553 0.00023407 -0.00014194
0.02091294 0.00679582 0.03315906
-25.59700351 0.95618779 -21.57587370
0.00007013 -0.00098972 -0.00026267
-0.00169192 0.01208269 -0.00928039
9.52291371 8.73148630 6.60341120
0.00009514 -0.00042366 -0.00069019
-0.00702800 -0.02314428 0.00721987
10.10191249 7.85990192 9.20244290
-0.00005983 0.00035338 0.00022148
-0.00616882 -0.00605274 -0.00087792
19.76162254 27.48021650 -4.02201157
0.00008257 0.00019142 0.00031706
0.01134833 0.01094116 -0.00808120
20.16913771 30.45967160 -4.35306623
0.00054241 -0.00056120 -0.00055631
0.00683166 -0.00920122 -0.00857792
6.05413898 -0.68640662 -6.95334197
-0.00024002 -0.00097238 -0.00051598
0.04061884 -0.01384169 -0.00835019
7.27964836 -3.30854029 -7.18763812
0.00075585 0.00021200 0.00020752
-0.00114783 -0.01790494 0.00126916
-8.76559657 -2.17259585 12.19258190
-0.00047536 0.00000815 0.00038851
0.00066427 -0.02908980 0.02337380
-11.08852402 -3.06946535 13.35917974
0.00071731 -0.00069066 -0.00063457
-0.01427245 -0.00335631 0.01347876
-1.32229965 -24.21247872 14.98943513
0.00064598 -0.00004670 0.00057713
0.00247471 -0.01592161 0.00258739
-3.00014948 -22.13445781 13.81153570
0.00013111 0.00009186 0.00114203
-0.01517208 -0.00020136 0.00043705
-12.34991031 -7.99702728 -7.07167526
-0.00063568 -0.00112750 -0.00026309
-0.01528029 0.01136473 0.00230047
-10.31655780 -7.29851295 -9.25870106
-0.00052899 -0.00112490 0.00163403
-0.01742890 -0.01226121 0.02841507
-16.20915140 -10.24350994 -15.87606950
-0.00001417 -0.00026252 -0.00064341
-0.00622550 -0.05006185 -0.00155477
-14.23732366 -8.14225356 -16.19060549
0.00010998 -0.00016294 -0.00013323
0.00040562 0.00437213 -0.00005756
17.10509760 12.78293944 5.34440833
0.00076923 0.00048992 -0.00011596
0.00097360 0.00045110 0.00808046
17.34754052 14.19006061 2.71671629
-0.00025768 0.00071542 -0.00002155
-0.00993686 -0.01230329 0.01208779
18.45040940 -4.26103229 -15.04005392
-0.00012345 -0.00028225 0.00004194
0.00585680 -0.00067698 0.00056595
21.15277127 -3.05144464 -15.41120352
-0.00083233 0.00136590 -0.00035845
-0.01161785 -0.02456191 0.00897064
-1.36889366 7.20545044 -13.54988211
0.00117969 -0.00090731 0.00036632
0.01056811 -0.00500287 -0.01358396
0.11220989 7.00716174 -16.18679737
-0.00016261 0.00011415 -0.00130538
-0.00779327 -0.00240331 0.00863053
0.82286952 0.53646372 -15.54375789
-0.00027233 0.00004676 -0.00023233
0.00155253 0.00021700 0.00119052
2.41473923 -1.01099317 -17.31293934
-0.00034560 0.00007986 0.00044284
0.04586674 -0.00958808 -0.00667046
12.17417387 22.73010395 -22.31792894
0.00053331 -0.00138485 0.00004786
0.00016348 -0.03516232 -0.02269353
9.98825416 21.18499222 -23.14337272
0.00033762 -0.00038484 -0.00033331
-0.03222018 -0.00906858 -0.00707873
-9.87285854 16.12057166 -17.10958912
-0.00049559 -0.00055063 -0.00000918
-0.01412408 -0.00387181 -0.00129316
-10.80346169 15.28178716 -14.44327253
-0.00010814 0.00091742 -0.00103451
-0.00281492 -0.00226086 -0.00308708
3.13455459 18.57199870 11.38010804
0.00015071 0.00087964 0.00020218
-0.04625641 0.03380465 0.01453285
4.88969756 18.06501900 9.12318090
-0.00025903 0.00091458 -0.00068998
-0.00400783 0.00429087 -0.00310239
-3.77480645 -10.43929620 -3.26249532
-0.00160530 0.00021182 -0.00072439
-0.02938282 0.01238724 0.00990966
-1.31238669 -11.41764915 -1.86834944
0.00015969 -0.00042973 -0.00098625
-0.01766118 0.01224152 -0.00895697
0.13227114 -7.13939334 4.86274514
0.00014749 -0.00101968 0.00024772
0.00386760 0.00178007 0.00371638
2.88083774 -8.39190688 4.66923544
0.00017057 -0.00043602 0.00120057
-0.02961301 0.01113032 -0.01318610
8.10855393 1.95864289 9.24414209
-0.00110814 -0.00032651 -0.00095923
0.00708184 -0.00025035 -0.00324930
9.68478837 3.57025979 7.45137969
0.00038166 0.00095823 0.00034010
-0.00131804 0.02080625 -0.00413221
-7.95751547 -8.73411341 -4.45775757
0.00047722 0.00062002 0.00033802
0.00387783 -0.00565338 0.01351173
-8.02499010 -10.18464397 -1.91684450
0.00075698 -0.00030508 0.00054931
-0.02418294 -0.01409304 0.01409184
4.86850611 -13.63891435 -11.93732621
-0.00053784 0.00016106 -0.00025297
-0.01473182 0.01718415 -0.01750890
2.41280876 -13.18478718 -13.75230115
0.00035583 0.00000842 -0.00028544
-0.00453517 -0.00429103 0.00481007
1.34816604 -6.06983349 0.13166263
-0.00003678 -0.00050648 0.00098510
-0.00401848 0.01022176 -0.00158216
-0.16981058 -3.58992968 -0.26907690
-0.00021501 -0.00023798 -0.00009796
-0.00678356 -0.00354257 0.00669218
17.50181788 3.40464219 25.76858845
-0.00010755 -0.00032764 -0.00005184
-0.00408608 0.00763435 0.00892336
16.56389547 3.21832510 28.53221839
0.00028385 -0.00006814 0.00050387
0.00577019 0.02558429 -0.02877818
-10.85499645 7.27563036 -3.91976012
-0.00049049 -0.00015150 0.00126129
-0.01595587 0.01551779 0.00845501
-8.44119315 7.10328987 -5.46378529
0.00123898 -0.00059495 0.00017553
0.00111838 -0.00068077 -0.00024301
-6.41449149 16.03135765 -9.15540875
-0.00003620 -0.00035970 0.00004867
0.00705860 -0.00206640 0.00052539
-4.81550919 14.30287757 -10.95800240
-0.00012097 0.00033931 -0.00053095
0.00419168 0.00132293 0.00751270
2.79221746 10.69055761 -5.72343965
-0.00031139 0.00090659 0.00042913
0.00568694 0.02066626 -0.01889078
1.38055362 13.12703904 -6.92365653
0.00001494 -0.00017964 -0.00036371
0.02443261 -0.00990876 0.00474124
-2.69531034 11.00366943 -14.21619590
-0.00044189 0.00104068 0.00023895
0.02122887 -0.00509132 -0.00628598
-5.29532954 10.48755629 -13.32687251
0.00038422 0.00067387 0.00047555
-0.00586245 0.00637864 -0.00015397
4.32454840 7.84519481 19.09308823
0.00084390 -0.00050568 0.00014544
-0.00904100 -0.00989884 -0.01622360
1.96625630 7.04582616 17.35899912
0.00008196 -0.00053418 0.00055313
0.01694734 -0.00116236 0.00712613
-13.41815707 8.73476595 -8.87513076
0.00046365 -0.00001811 -0.00084489
-0.04152928 -0.00672478 0.00676006
-16.31573829 8.37510067 -7.61013002
-0.00027754 0.00051090 -0.00006410
0.00623816 -0.00663086 0.02188153
5.30611088 10.41403337 0.30681059
-0.00026478 0.00089678 0.00082170
-0.04219789 -0.02646524 0.01149999
2.17913940 9.89262946 1.41328151
0.00058169 0.00160611 -0.00097023
0.03641100 -0.01058036 -0.02279552
14.33137101 -23.82966520 -25.57681328
-0.00013366 0.00031623 -0.00011912
0.00046858 -0.00246993 0.00194490
14.95317211 -24.06551758 -28.38159040
0.00024998 -0.00122530 0.00000472
0.02074979 -0.00279480 0.03534056
4.40240417 3.40060596 -0.89793679
-0.00071438 0.00003824 0.00058134
0.01429281 0.01589222 0.01613634
5.03829374 5.84461453 0.54829158
0.00090046 0.00057654 0.00140098
0.00388010 -0.00103830 0.00306094
17.22239281 -3.63297004 -0.46470923
0.00113660 0.00056535 -0.00045263
0.00324815 -0.00799447 -0.00034218
16.45010458 -6.50426028 -0.78246462
-0.00124969 0.00036029 -0.00066903
-0.00805793 -0.00661107 -0.02076858
-6.28318625 2.82069849 -1.75212402
0.00071694 -0.00047477 -0.00095427
0.00566729 0.00667584 0.00213588
-5.14306783 1.11372666 -3.69241872
0.00060389 0.00095956 -0.00047606
0.00116606 -0.01437433 -0.00771088
2.50056930 2.86999184 -11.30696367
0.00022195 -0.00016733 0.00021882
0.01909875 0.00505064 0.00106695
0.06062282 1.65629574 -10.53155651
0.00176642 -0.00006568 -0.00027221
-0.01878620 -0.02661497 0.02947347
17.08499624 7.96289542 -7.77220252
-0.00000455 0.00149242 0.00065416
-0.02181052 -0.00581167 -0.00777751
16.18122687 10.57284057 -7.08122100
-0.00046764 -0.00047886 0.00044478
-0.01543436 -0.00817114 0.00208165
-6.71764357 0.40317981 11.01329527
-0.00100449 0.00030102 -0.00023822
-0.00332310 0.01569846 0.01935665
-7.82340522 1.69725869 13.53147007
-0.00035223 -0.00082570 0.00109430
-0.04172861 0.01356545 0.01379525
-2.25395766 -16.76791107 13.92138584
-0.00001017 0.00018491 0.00037285
0.02576826 -0.00300834 0.02615100
-4.53484184 -17.53062618 12.51584718
-0.00084766 0.00045663 -0.00068864
-0.04192920 -0.05480116 -0.01489393
6.83796237 -6.31799519 -4.40468469
-0.00044416 0.00001268 -0.00091664
0.01405643 0.00514454 0.00118296
5.53176795 -7.93212007 -6.20085712
-0.00011560 0.00053554 0.00010325
-0.00875812 -0.01264828 -0.00852173
-2.82195717 -11.48530488 2.25209112
-0.00021247 0.00021716 -0.00021805
0.00711880 -0.00330115 -0.00506940
-0.25055743 -10.20374877 2.43643765
-0.00004045 0.00075891 -0.00083891
-0.00074768 0.00041602 -0.00231664
-14.62948126 -0.89373529 5.80401056
0.00015613 0.00017840 0.00069645
-0.03199798 -0.01287995 -0.00264300
-15.91741358 -1.88971312 3.38422551
0.00016872 -0.00022360 0.00068296
-0.00529645 0.00579126 0.02436870
-9.56497694 4.80613774 -23.33012251
0.00004432 -0.00044771 -0.00063485
0.00303128 -0.01202209 0.00857382
-8.97739127 4.54036682 -20.38199498
-0.00000187 -0.00073514 -0.00067805
-0.00378644 -0.01643600 -0.03145163
1.79326278 1.16955745 -3.17956618
0.00081707 -0.00036244 0.00021473
0.01978578 0.00210647 0.03171535
0.64627880 0.39644435 -0.68078375
-0.00087733 -0.00065626 0.00092945
0.00343557 0.00448223 0.01050324
14.05204282 9.52601317 3.58994753
0.00050840 -0.00066893 -0.00037193
-0.02892046 -0.01209583 0.00321991
11.32265266 9.10688491 2.50003954
-0.00084430 -0.00077748 -0.00070902
0.00054910 0.00479334 -0.00599539
5.43311210 -9.17893449 -10.58136596
-0.00007545 -0.00022068 0.00009034
-0.00096738 0.00525347 -0.00568503
-13.01975503 10.41695731 21.22388037
0.00005103 -0.00003054 0.00011744
0.00610155 0.00091928 -0.00205060
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06755705
0.31959929
425.85003548
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1865008112
ExchangeOperator: bisection time: 1.790 s
total exchange = -52.3608481454 (a.u.)
total exchange computation time: 3.3351020813 s
-154.1550721723
-931.38781648
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1865008112
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.3606614600 (a.u.)
total exchange computation time: 3.3319871426 s
-154.1574026912
Anderson extrapolation: theta=1.4092810315 (1.4092810315)
-931.38807638
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1865008112
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3602837706 (a.u.)
total exchange computation time: 3.3321599960 s
-154.1613443667
Anderson extrapolation: theta=0.0765799609 (0.0765799609)
-931.38824587
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1865008112
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3601643073 (a.u.)
total exchange computation time: 3.3307268620 s
-154.1622192923
Anderson extrapolation: theta=2.3670686003 (2.0000000000)
-931.38825678
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1865008112
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3598982413 (a.u.)
total exchange computation time: 3.3311769962 s
-154.1640648823
Anderson extrapolation: theta=0.4168769376 (0.4168769376)
-931.38827108
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1865008112
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.3597904376 (a.u.)
total exchange computation time: 3.3314468861 s
-154.1647240000
Anderson extrapolation: theta=0.8491851009 (0.8491851009)
-931.38827477
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1865008112
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3597215944 (a.u.)
total exchange computation time: 3.3309800625 s
-154.1650547017
Anderson extrapolation: theta=0.5239005614 (0.5239005614)
-931.38827689
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1865008112
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3597103320 (a.u.)
total exchange computation time: 3.3352749348 s
-154.1650079688
Anderson extrapolation: theta=0.6753004913 (0.6753004913)
-931.38827767
238.086787 31.942376 245.840887
-142.285253 490.087460 -805.475734
95.801533 522.029836 -559.634847
771.287395
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1865008112
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3597219869 (a.u.)
total exchange computation time: 3.3299999237 s
678.60798996
-1083.11599236
89.82678986
-389.56000237
-174.78734114
77.98579680
551.60419304
0.00000000
-931.38827803
-8.77915133 -3.92010586 3.58401521
0.00011754 -0.00013660 0.00032349
-0.02959865 0.01672217 -0.01639935
-17.84365365 4.48131362 6.51972670
0.00007531 -0.00022373 -0.00007899
0.00694615 0.02523481 0.02028435
-15.57098329 -0.90291283 0.49737177
0.00007627 -0.00003244 -0.00028329
0.00741490 0.04569479 0.01138924
3.34730962 -20.67581373 15.60657510
-0.00039734 0.00021124 -0.00021887
-0.04022061 0.00880325 -0.01140533
7.55736316 15.97540831 -1.33870826
0.00033366 0.00015179 -0.00002888
0.01133131 -0.02529643 -0.00865296
-9.82017130 9.54898156 11.11690831
-0.00015588 -0.00026485 -0.00008837
-0.02205264 0.03057340 -0.00726202
-8.23280554 -0.51469101 -14.23055087
-0.00019891 0.00024270 -0.00013885
-0.01295951 -0.00441029 -0.00558863
-10.81473904 2.31087405 -7.07692991
0.00014150 0.00036190 0.00034242
-0.00941996 -0.00098315 0.00225151
-0.26276135 -5.74416567 15.23647539
-0.00014848 0.00001821 0.00029054
-0.01996025 -0.00596060 -0.03937317
-25.55840137 -0.64530190 -20.73834546
-0.00042330 -0.00013758 0.00007379
-0.01175042 -0.02193426 -0.02800432
8.85884514 7.49867899 7.85916720
0.00000458 -0.00000065 0.00001359
0.02012384 0.02079674 -0.01120817
20.78112687 28.74211231 -4.98185452
0.00004474 -0.00013576 -0.00018658
-0.00893984 -0.01423056 0.02025003
7.76337213 -1.56707629 -7.22531405
-0.00011503 0.00005892 -0.00006904
-0.03915349 0.03246094 0.00448654
-9.32457315 -3.51985775 13.44138664
0.00021756 0.00014412 0.00033832
0.01498605 0.02737031 -0.04071684
-1.29780121 -22.76033114 13.91964772
0.00008730 0.00008416 0.00011108
0.00907936 0.01597504 -0.00053031
-11.07818802 -8.65762215 -8.20407956
0.00014749 0.00028203 0.00014882
0.02941438 -0.00726092 -0.02458291
-15.91046846 -8.56435022 -15.51525011
0.00005054 0.00001461 0.00009083
0.00098353 0.03981553 0.00260096
16.66373482 12.68035808 3.57738852
0.00038708 0.00012510 0.00012120
0.00763109 0.01227103 -0.02396731
20.21504671 -4.60077222 -14.73264352
-0.00025987 -0.00014423 0.00000184
0.01358128 0.02508078 -0.01665070
-0.49053146 8.14905376 -14.88289347
0.00031682 0.00008539 -0.00007207
-0.00606412 -0.00286682 0.00519706
0.73285752 -0.73554932 -16.86936378
-0.00020872 0.00036951 -0.00028883
-0.05131306 0.01460062 0.01535973
11.76914770 20.99541280 -23.16854348
0.00038348 -0.00000602 0.00000314
0.03247969 0.03262892 0.02691563
-11.28201590 15.23960063 -16.20475771
0.00004612 0.00011173 -0.00028825
0.00192347 -0.00780980 0.01019293
4.44994818 17.59948819 10.82012380
0.00040834 0.00003892 -0.00031728
0.04275952 -0.03525747 -0.01483634
-2.14530227 -11.09406714 -3.53781678
0.00005022 -0.00002186 0.00022825
0.03339667 -0.01374679 -0.00097528
1.22025587 -8.11448144 3.74405691
0.00004388 -0.00013650 0.00013983
0.03948197 0.00416012 0.02146341
9.61525850 1.93730300 8.20406020
-0.00000194 0.00024059 0.00021477
-0.01067602 -0.01176498 0.00173055
-6.93656484 -9.32803423 -3.03563763
-0.00013045 0.00037438 -0.00020768
0.01347629 0.02152858 -0.01889535
3.89957642 -12.40941436 -13.01310626
-0.00008605 0.00034066 -0.00021638
0.01566346 -0.01217919 0.01169864
1.18726052 -4.58000197 -0.94771767
0.00014589 0.00021599 0.00007739
0.00943834 -0.01375499 0.00030861
16.99982947 4.49314483 27.16469197
0.00037067 0.00016790 -0.00030204
-0.00441756 -0.03747833 0.02397436
-9.62512397 6.07985240 -4.45281265
-0.00013344 -0.00013872 0.00015754
0.00496879 0.00437046 0.00901446
-4.93589171 14.93107879 -9.22361979
0.00037097 0.00002022 -0.00020672
-0.00775263 0.00023977 -0.00503423
3.02759847 12.18423211 -6.85856308
-0.00017055 0.00002556 -0.00006289
-0.02978989 -0.00183905 0.01137924
-4.19441096 11.89238191 -13.76357330
0.00026135 0.00004150 0.00002467
-0.02431503 0.00555224 0.01193092
3.86020415 7.23746457 17.36990903
0.00003765 0.00014008 -0.00018316
-0.01653683 0.00809819 0.01219463
-15.32436298 8.72988429 -9.07258947
-0.00043822 -0.00020034 -0.00001359
0.04575915 0.00955847 -0.02621606
3.73576597 9.23282937 0.50657846
-0.00005624 -0.00011225 0.00016690
0.01658494 0.02775322 0.00488972
15.83192323 -24.02834329 -26.66006695
0.00017058 -0.00005780 -0.00006474
-0.02862611 -0.00148197 -0.03254580
5.75663788 4.18614168 0.15740695
-0.00017532 -0.00015847 0.00017841
-0.01628110 -0.00051549 -0.01091451
17.16167428 -5.28562927 0.33444011
0.00034610 0.00001810 -0.00016022
0.00352090 0.00951961 0.00831961
-4.66820628 2.46424943 -2.56067178
-0.00049333 -0.00019861 0.00046281
0.01458324 0.01815951 0.00633759
0.86632290 2.42976494 -11.87884444
-0.00035925 0.00020013 -0.00007897
0.00921473 0.02415426 -0.04834734
15.44032389 8.89635335 -7.41137728
-0.00018727 -0.00028595 0.00023343
0.03842233 0.02154330 0.00965964
-6.38517610 0.97529658 12.78559346
-0.00026439 0.00013010 0.00012402
0.04356796 -0.01968149 -0.04078129
-3.51971218 -16.18147654 12.83956446
-0.00012305 -0.00009615 0.00030463
0.01755613 0.05227682 -0.02405339
7.05798896 -6.91329591 -6.15783724
0.00005542 0.00034695 -0.00037342
-0.00971856 0.01065585 0.00839350
-1.11769208 -11.57865441 1.49439891
0.00007312 -0.00021270 -0.00043137
-0.01396791 -0.00193310 0.00450011
-16.22771030 -1.77925861 5.29085204
0.00041074 -0.00000188 0.00036667
0.03464806 0.00984063 -0.00968182
-9.13493584 3.53660384 -22.02093422
-0.00024710 -0.00024431 -0.00031982
0.00435180 0.03247158 0.02526077
2.15736281 1.21537277 -1.29881856
-0.00023584 -0.00017715 -0.00023815
-0.03649396 -0.01551403 -0.04095484
12.46299542 8.53022158 3.81680805
0.00027320 -0.00014154 -0.00005473
0.02137906 0.00906002 -0.00655742
-7.45246294 -4.17928653 2.42404673
-0.00036412 -0.00067344 0.00123816
0.04707637 -0.01222803 -0.01107301
-9.98056635 -3.61217689 2.17272106
-0.00037358 -0.00123209 -0.00035609
-0.00514056 0.00929606 0.01960027
-16.63597747 5.87637417 6.98370958
0.00012451 -0.00077437 -0.00030269
-0.01296846 -0.02534355 -0.01499516
-17.20467712 3.56225414 5.10164193
-0.00006373 -0.00034459 -0.00088156
0.00854800 0.00286269 -0.00690656
-16.36066917 0.84765226 0.49468312
-0.00066001 0.00041140 -0.00015611
0.03133529 -0.01651496 0.01061999
-16.97233691 -1.65700169 -0.23163610
0.00112474 0.00020040 0.00015308
-0.03315293 -0.03570227 -0.02707355
1.59225185 -20.86173280 14.91336898
-0.00064942 -0.00062046 -0.00023037
0.01992480 -0.01837622 0.00760249
3.31163783 -18.86007818 15.76817233
-0.00016666 -0.00017721 0.00060619
0.01890036 0.00885925 0.00788247
8.25473272 14.21543585 -1.22159729
-0.00042764 -0.00031773 0.00023412
-0.00522698 0.01150777 -0.00427847
7.39736493 16.40606935 0.38262943
-0.00071821 -0.00032587 0.00059185
-0.00529310 0.01148776 0.01855903
-8.47636352 9.47506955 12.38787906
-0.00054990 0.00086199 -0.00011367
-0.00119334 -0.01020168 0.00390813
-10.65966358 11.19784259 11.56485284
-0.00006856 -0.00058027 -0.00027509
0.01317778 -0.02750153 -0.00261644
-9.95737707 0.21327917 -14.56902081
-0.00094467 0.00084996 -0.00030317
0.01946136 -0.00553205 0.01243429
-8.18907662 -2.05422194 -15.24521080
0.00054062 -0.00055652 -0.00102579
-0.00032679 0.01095406 -0.00127034
-12.22616257 1.10663977 -7.04413701
-0.00032965 -0.00038854 0.00021049
0.01087560 0.00837670 0.00516531
-10.97854905 3.67188876 -5.76765709
-0.00101931 -0.00037711 -0.00016521
0.00505791 -0.01766011 -0.01894345
-1.98560347 -6.22001203 14.61120544
-0.00033537 -0.00064171 0.00018071
0.01715844 0.00372359 0.00398933
-0.37958085 -5.65354048 16.99571778
-0.00021775 0.00018918 0.00044062
-0.00059312 -0.00078755 0.03884392
-24.92740559 -0.52638748 -19.10137634
0.00033029 0.00026164 -0.00000932
0.02058100 0.00669613 0.03175647
-25.59600345 0.94171221 -21.58009818
0.00006275 -0.00093134 -0.00030496
-0.00191991 0.01649407 -0.01141909
9.52412549 8.72442214 6.59327957
0.00006633 -0.00051948 -0.00065816
-0.00707659 -0.02375622 0.00845890
10.10082607 7.86501710 9.20573823
-0.00008634 0.00032831 0.00021533
-0.00681167 -0.00621650 -0.00213293
19.76320881 27.48342315 -4.01750336
0.00012897 0.00023589 0.00028365
0.01136674 0.01082705 -0.00827002
20.17748314 30.45097158 -4.36167381
0.00056809 -0.00059302 -0.00058910
0.00573878 -0.00637208 -0.00746840
6.05178343 -0.70141643 -6.96133748
-0.00007785 -0.00102531 -0.00054892
0.03876217 -0.01206806 -0.00777749
7.29095098 -3.30590899 -7.18448641
0.00075043 0.00013329 0.00021279
-0.00150714 -0.02062429 0.00130993
-8.77270663 -2.17336493 12.19912581
-0.00046892 -0.00010741 0.00048115
0.00248625 -0.02747878 0.02197258
-11.07820167 -3.07992807 13.35007426
0.00064873 -0.00070320 -0.00057902
-0.01930177 -0.00278086 0.01370995
-1.31253413 -24.21366716 14.99817137
0.00065601 -0.00010668 0.00058362
0.00243471 -0.01343890 0.00058839
-2.99864773 -22.13308607 13.82867955
0.00006817 0.00009174 0.00114307
-0.01564047 0.00014022 0.00007076
-12.35991368 -8.01359159 -7.07555110
-0.00069916 -0.00107939 -0.00025194
-0.01579393 0.01218611 0.00315870
-10.32502678 -7.31576223 -9.23331985
-0.00058913 -0.00115398 0.00173383
-0.01200818 -0.00197296 0.02043670
-16.20955477 -10.24898176 -15.88576830
-0.00003795 -0.00045677 -0.00064753
-0.00541501 -0.04502387 -0.00046104
-14.23566157 -8.14456368 -16.19260564
0.00011037 -0.00014490 -0.00013291
-0.00021475 0.00445795 0.00021205
17.11666593 12.79030212 5.34291657
0.00077301 0.00049135 -0.00008160
0.00087468 0.00024504 0.00873728
17.34337075 14.20041489 2.71676349
-0.00029904 0.00066223 0.00002853
-0.01030447 -0.01373490 0.01242481
18.44873714 -4.26528672 -15.03940751
-0.00010309 -0.00028529 0.00004422
0.00410766 -0.00081225 0.00055322
21.13993033 -3.03170874 -15.41630545
-0.00088244 0.00125609 -0.00031823
-0.01291313 -0.02919450 0.01072061
-1.35087444 7.19168755 -13.54480350
0.00122473 -0.00092427 0.00030671
0.01147870 -0.00330066 -0.01559677
0.10953200 7.00880034 -16.20611355
-0.00019761 0.00011088 -0.00126254
-0.00934365 0.00080280 0.01233905
0.81883212 0.53717182 -15.54720639
-0.00026631 0.00004991 -0.00022547
0.00139761 0.00132515 0.00216935
2.41096067 -1.01008904 -17.30650111
-0.00015469 0.00003931 0.00041455
0.04758693 -0.01026045 -0.00717908
12.18217858 22.70825370 -22.31790649
0.00053511 -0.00151926 -0.00004089
0.00071510 -0.03063378 -0.02074889
9.99233112 21.17894179 -23.14858930
0.00020735 -0.00042120 -0.00036199
-0.03154513 -0.00873029 -0.00695861
-9.88072517 16.11219352 -17.10976650
-0.00054640 -0.00056241 -0.00001916
-0.01075079 -0.00189398 -0.00359056
-10.80517009 15.29547915 -14.45888471
-0.00011716 0.00090821 -0.00103497
-0.00159691 -0.00224774 0.00286101
3.13539779 18.58622913 11.38358606
-0.00002241 0.00100590 0.00025589
-0.03848442 0.02800396 0.01176118
4.88568932 18.07886926 9.11273611
-0.00027613 0.00092973 -0.00069683
-0.00436532 0.00312200 -0.00025175
-3.79978627 -10.43573928 -3.27305746
-0.00170027 0.00025267 -0.00068567
-0.01710987 0.00760748 0.00904161
-1.31053256 -11.42371992 -1.88341767
0.00008986 -0.00038044 -0.00101202
-0.01652003 0.01188515 -0.00365703
0.13460203 -7.15463398 4.86657485
0.00015832 -0.00100829 0.00026653
0.00143281 0.00379256 0.00549220
2.88248885 -8.39810616 4.68684000
0.00004495 -0.00038997 0.00114239
-0.03187856 0.01141441 -0.01529355
8.09214889 1.95373750 9.22965410
-0.00107624 -0.00032702 -0.00097435
0.00853372 0.00000258 -0.00415209
9.69047283 3.58527085 7.45635455
0.00037542 0.00103376 0.00032801
-0.00173643 0.01616428 -0.00178407
-7.95023827 -8.72498629 -4.45227324
0.00048598 0.00059909 0.00038655
0.00041005 -0.00459281 0.01024309
-8.01437649 -10.18965206 -1.90817302
0.00066097 -0.00035947 0.00060180
-0.02281218 -0.01252769 0.01160212
4.85998706 -13.63597193 -11.94165730
-0.00059607 0.00023041 -0.00032304
-0.01377168 0.01676521 -0.01678839
2.41800728 -13.18479230 -13.75643539
0.00033425 -0.00000965 -0.00026770
-0.00603146 -0.00455660 0.00387350
1.34749117 -6.07711741 0.14639068
-0.00005427 -0.00045251 0.00096939
-0.00453938 0.01619457 -0.00611009
-0.17324356 -3.59360797 -0.27034117
-0.00024338 -0.00025186 -0.00007058
-0.00710261 -0.00325029 0.00671013
17.50007935 3.39996154 25.76808432
-0.00012403 -0.00029686 -0.00001637
-0.00397997 0.00743481 0.00844051
16.56833002 3.21808696 28.53889462
0.00030901 0.00004135 0.00038071
0.00654413 0.02801117 -0.03150949
-10.86284271 7.27383332 -3.90058171
-0.00054631 -0.00009338 0.00129096
-0.01136925 0.01293176 0.00607017
-8.42257411 7.09434470 -5.46115985
0.00123523 -0.00059998 0.00017985
-0.00295860 -0.00178053 0.00235948
-6.41481817 16.02589885 -9.15466261
-0.00000613 -0.00036837 0.00005114
0.00765847 -0.00217680 0.00068439
-4.81719528 14.30800777 -10.96573639
-0.00010308 0.00034502 -0.00049821
0.00456344 0.00147247 0.00851406
2.78772087 10.70478972 -5.71758150
-0.00028848 0.00098613 0.00035475
0.00552698 0.01827186 -0.01752247
1.38152646 13.12404080 -6.92896691
0.00011178 -0.00021789 -0.00034437
0.02297175 -0.00881585 0.00472817
-2.70128818 11.01912366 -14.21280423
-0.00033991 0.00101011 0.00020905
0.02869210 -0.00987403 -0.00835295
-5.28974585 10.49785983 -13.31974403
0.00035719 0.00069437 0.00047595
-0.00736797 0.00365601 0.00035114
4.33692991 7.83730633 19.09477274
0.00080554 -0.00054687 0.00007574
-0.00974014 -0.01026689 -0.01789511
1.96800502 7.03777785 17.36751443
0.00015150 -0.00053805 0.00058176
0.01709426 -0.00073388 0.00689104
-13.41247486 8.73428817 -8.88759701
0.00028543 -0.00004600 -0.00081643
-0.04571256 -0.00692331 0.00717254
-16.31971019 8.38256092 -7.61042095
-0.00025357 0.00048273 0.00002925
0.00549334 -0.00715855 0.02381037
5.30084608 10.42667406 0.31948843
-0.00043817 0.00078450 0.00086656
-0.04267706 -0.02849750 0.01046197
2.18898050 9.91639689 1.39802953
0.00072410 0.00156147 -0.00105979
0.03329981 -0.01127203 -0.02104266
14.32938054 -23.82499749 -25.57854051
-0.00012881 0.00030599 -0.00011284
0.00190130 -0.00254020 0.00112922
14.95755771 -24.08398273 -28.38043672
0.00033408 -0.00123575 0.00014774
0.02041671 -0.00231980 0.03467199
4.39212648 3.40166658 -0.88872228
-0.00065674 0.00010470 0.00064736
0.01392345 0.01663700 0.01618159
5.05191955 5.85323079 0.56940006
0.00091733 0.00056475 0.00141038
0.00437557 -0.00473442 0.00153879
17.23954131 -3.62473479 -0.47150917
0.00114847 0.00052452 -0.00044919
0.00256109 -0.01198940 0.00202528
16.43111232 -6.49905848 -0.79313651
-0.00127696 0.00034163 -0.00074573
-0.00529168 -0.00252199 -0.01677436
-6.27225850 2.81378158 -1.76637268
0.00071770 -0.00044282 -0.00093437
-0.00529271 0.00896169 0.00760880
-5.13397368 1.12767964 -3.69979586
0.00060650 0.00089518 -0.00051207
0.00011027 -0.01714178 -0.00991971
2.50448379 2.86763660 -11.30364860
0.00029165 -0.00014807 0.00021783
0.01501862 0.00438087 -0.00155498
0.08654341 1.65449494 -10.53473643
0.00167844 -0.00018398 -0.00013748
-0.02427902 -0.03129094 0.03647682
17.08425968 7.98510357 -7.76262840
-0.00008813 0.00146161 0.00062018
-0.01910589 -0.00926984 -0.00885914
16.17373927 10.56540722 -7.07448554
-0.00053087 -0.00050748 0.00045461
-0.01551358 -0.00583536 0.00272963
-6.73281271 0.40817620 11.01031508
-0.00101682 0.00036597 -0.00015502
-0.00271189 0.01609279 0.02137178
-7.82996732 1.68528883 13.54830735
-0.00052013 -0.00077137 0.00114971
-0.04046236 0.01302946 0.01332746
-2.25332059 -16.76522961 13.92777986
0.00009195 0.00017101 0.00047773
0.02421789 -0.00379725 0.02519177
-4.54884155 -17.52545605 12.50506111
-0.00101316 0.00023825 -0.00074722
-0.03908616 -0.05209659 -0.01377991
6.83173070 -6.31764727 -4.41839809
-0.00038582 0.00003699 -0.00090424
0.01450319 0.00675493 0.00488750
5.52976554 -7.92447452 -6.19956954
-0.00015113 0.00048352 0.00006668
-0.00863265 -0.01281821 -0.00937867
-2.82492613 -11.48214862 2.24866504
-0.00017908 0.00020355 -0.00024071
0.00922613 -0.00335919 -0.00602155
-0.25118710 -10.19235232 2.42378295
-0.00004618 0.00075519 -0.00085070
-0.00205930 -0.00223751 -0.00345069
-14.62811981 -0.89145397 5.81437634
0.00002668 0.00012610 0.00068487
-0.03136786 -0.01272272 -0.00302498
-15.91504514 -1.89288972 3.39521667
0.00014822 -0.00019984 0.00077919
-0.00473872 0.00584192 0.02273542
-9.56421928 4.79905366 -23.33938259
0.00005698 -0.00049644 -0.00059958
0.00316486 -0.01182894 0.00869364
-8.97753529 4.52883613 -20.39312955
-0.00001715 -0.00079854 -0.00080177
-0.00369670 -0.01459979 -0.02910911
1.80612517 1.16418545 -3.17537344
0.00089383 -0.00035498 0.00033753
0.01778619 0.00154159 0.02839707
0.63322412 0.38673781 -0.66652018
-0.00084884 -0.00062999 0.00096359
0.01051097 0.00837567 0.00621211
14.05878262 9.51560855 3.58446726
0.00039014 -0.00071694 -0.00035974
-0.02896816 -0.01140457 0.00274518
11.31000498 9.09536962 2.48922055
-0.00083151 -0.00076121 -0.00072370
0.00571120 0.00316990 -0.00119209
5.43197778 -9.18223057 -10.58002613
-0.00007580 -0.00021878 0.00008829
-0.00101267 0.00536879 -0.00579386
-13.01897891 10.41650085 21.22563841
0.00005245 -0.00003033 0.00011698
0.00607437 0.00087018 -0.00193297
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06756802
0.32071001
427.33000314
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1865008112
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.3594866727 (a.u.)
total exchange computation time: 3.3351130486 s
-154.1499668957
-931.38888664
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1865008112
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3594279418 (a.u.)
total exchange computation time: 3.3314678669 s
-154.1517273837
Anderson extrapolation: theta=1.3401988984 (1.3401988984)
-931.38912319
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1865008112
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3592809999 (a.u.)
total exchange computation time: 3.3308291435 s
-154.1546248003
Anderson extrapolation: theta=0.0505795601 (0.0505795601)
-931.38926319
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1865008112
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3592163411 (a.u.)
total exchange computation time: 3.3302791119 s
-154.1552713472
Anderson extrapolation: theta=1.9062131287 (1.9062131287)
-931.38926836
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1865008112
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3590730067 (a.u.)
total exchange computation time: 3.3319520950 s
-154.1566392688
Anderson extrapolation: theta=0.2213707825 (0.2213707825)
-931.38927392
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1865008112
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3590351255 (a.u.)
total exchange computation time: 3.3363270760 s
-154.1569591335
Anderson extrapolation: theta=1.8721760845 (1.8721760845)
-931.38927503
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1865008112
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3589789457 (a.u.)
total exchange computation time: 3.3306310177 s
-154.1573999279
Anderson extrapolation: theta=0.2870564845 (0.2870564845)
-931.38927647
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1865008112
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3589778771 (a.u.)
total exchange computation time: 3.3338088989 s
-154.1573722304
Anderson extrapolation: theta=1.3034333280 (1.3034333280)
-931.38927682
238.022706 31.879215 245.829390
-142.306603 490.069409 -805.497793
95.716103 521.948624 -559.668403
771.246173
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1865008112
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.3589872478 (a.u.)
total exchange computation time: 3.3323359489 s
678.59242669
-1083.08319645
89.82817420
-389.58339082
-174.78430347
77.96454431
551.60419304
0.00000000
-931.38927709
-8.77750247 -3.92209035 3.58880435
0.00010038 -0.00012768 0.00031535
-0.03710091 0.01797423 -0.01526098
-17.84249716 4.47805503 6.51862004
0.00007898 -0.00021206 -0.00006988
0.00730240 0.02014067 0.01516218
-15.56981069 -0.90322319 0.49316635
0.00008176 -0.00000702 -0.00027624
0.01393902 0.05317963 0.01604332
3.34119434 -20.67261116 15.60324805
-0.00041813 0.00021487 -0.00022486
-0.04062325 0.00530174 -0.01190043
7.56241183 15.97758763 -1.33917477
0.00033937 0.00013896 -0.00003192
0.01086357 -0.02462338 -0.00319450
-9.82259463 9.54512670 11.11555473
-0.00016728 -0.00024941 -0.00009234
-0.02226364 0.02946415 -0.00815375
-8.23583913 -0.51106753 -14.23265514
-0.00020638 0.00023930 -0.00014291
-0.01608999 -0.00880629 -0.01020359
-10.81265290 2.31629883 -7.07178494
0.00013550 0.00035952 0.00034283
-0.01391850 -0.00829578 -0.00066908
-0.26506549 -5.74391544 15.24068165
-0.00015916 0.00001506 0.00027075
-0.02158586 -0.00631058 -0.03760364
-25.56479618 -0.64745020 -20.73734661
-0.00042904 -0.00014973 0.00006068
-0.01055688 -0.02531401 -0.02297988
8.85899151 7.49874949 7.85932778
0.00001504 0.00001005 0.00000785
0.02053373 0.02081284 -0.01109326
20.78176344 28.74002109 -4.98457515
0.00004054 -0.00014377 -0.00017642
-0.00739914 -0.01692507 0.01928502
7.76149559 -1.56606728 -7.22633241
-0.00013440 0.00007563 -0.00006690
-0.03615118 0.03253445 0.00386053
-9.32125197 -3.51759036 13.44630440
0.00022594 0.00015746 0.00031787
0.01761347 0.02451929 -0.03881060
-1.29645675 -22.75900713 13.92131192
0.00009203 0.00009158 0.00011140
0.00934597 0.01289109 0.00176635
-11.07586226 -8.65341977 -8.20194214
0.00016098 0.00027503 0.00013847
0.02304564 -0.01993994 -0.01564022
-15.90970657 -8.56397746 -15.51387767
0.00005091 0.00003330 0.00009170
0.00045651 0.03286036 0.00080368
16.66957052 12.68228185 3.57911415
0.00039107 0.00013173 0.00010871
0.00787817 0.01353300 -0.02461712
20.21120111 -4.60283895 -14.73268008
-0.00025213 -0.00013033 -0.00000709
0.01649738 0.02897306 -0.01808313
-0.48580254 8.15032349 -14.88395451
0.00031385 0.00008279 -0.00006985
-0.00547935 -0.00721416 0.00342847
0.72952876 -0.72995034 -16.87363699
-0.00023497 0.00037680 -0.00028121
-0.05075457 0.01374950 0.01427883
11.77502516 20.99544837 -23.16839255
0.00039941 0.00000919 0.00001625
0.02946445 0.02653424 0.02404925
-11.28131673 15.24124648 -16.20904212
0.00004574 0.00010703 -0.00028381
-0.00337722 -0.01046183 0.00706024
4.45623819 17.59993603 10.81530744
0.00042807 0.00002288 -0.00032473
0.03395169 -0.02711867 -0.01415124
-2.14442014 -11.09444814 -3.53439676
0.00006379 -0.00002753 0.00022632
0.01936178 -0.00828191 -0.00651998
1.22106637 -8.11651296 3.74623710
0.00006516 -0.00013483 0.00015081
0.04328594 0.00235419 0.02125175
9.61518816 1.94086640 8.20728836
-0.00000766 0.00023579 0.00021522
-0.01155940 -0.00686512 0.00002766
-6.93846953 -9.32233555 -3.03882569
-0.00012307 0.00038453 -0.00021563
0.01521476 0.01797168 -0.01200999
3.89834616 -12.40435145 -13.01630683
-0.00007802 0.00033464 -0.00021047
0.01553257 -0.01121337 0.01129362
1.18948526 -4.57681522 -0.94655557
0.00015085 0.00020750 0.00007863
0.00985591 -0.01923211 0.00450816
17.00537254 4.49551869 27.16025390
0.00036821 0.00014829 -0.00028904
-0.00515431 -0.03876919 0.02654748
-9.62710640 6.07778842 -4.45041471
-0.00013116 -0.00013536 0.00016225
0.00387775 0.00869295 0.00928762
-4.93035703 14.93138303 -9.22674003
0.00036678 0.00002033 -0.00020954
-0.00855119 0.00019119 -0.00591258
3.02492533 12.18460836 -6.85946250
-0.00018525 0.00002501 -0.00005745
-0.02739572 -0.00029110 0.00975955
-4.19058451 11.89302582 -13.76315722
0.00024750 0.00004616 0.00003118
-0.02953431 0.01258929 0.01337704
3.86070508 7.23959704 17.36720872
0.00002939 0.00014422 -0.00017651
-0.01559004 0.00797670 0.01364469
-15.33075973 8.72691612 -9.07289448
-0.00041380 -0.00019532 -0.00002750
0.04919826 0.00994942 -0.02787484
3.73498629 9.23125265 0.50910088
-0.00004678 -0.00009754 0.00016921
0.02021955 0.02944455 0.00408264
15.83437148 -24.02921601 -26.66116362
0.00015574 -0.00005866 -0.00008089
-0.02909222 -0.00187797 -0.03025728
5.75394532 4.18376272 0.16004099
-0.00018373 -0.00015791 0.00017325
-0.01642028 0.00267036 -0.00915902
17.16687933 -5.28532104 0.33206884
0.00034724 0.00002272 -0.00015751
0.00091475 0.00843304 0.00224309
-4.67555002 2.46134033 -2.55370521
-0.00048257 -0.00018940 0.00046500
0.02727679 0.01766886 0.00216584
0.86096970 2.43286009 -11.88021551
-0.00035238 0.00021368 -0.00010447
0.01751043 0.02853524 -0.05080280
15.43766302 8.89214713 -7.40783860
-0.00016838 -0.00027466 0.00023850
0.03505642 0.02237694 0.01006722
-6.38897390 0.97717216 12.78729653
-0.00024286 0.00012031 0.00010304
0.04016839 -0.01837462 -0.04082800
-3.52149014 -16.18271708 12.84404106
-0.00011460 -0.00007050 0.00029220
0.01527089 0.04745682 -0.02426935
7.05878280 -6.90805058 -6.16340621
0.00005017 0.00035190 -0.00036985
-0.01070082 0.00857986 0.00549463
-1.11664911 -11.58185238 1.48794566
0.00006582 -0.00021304 -0.00042842
-0.01441425 0.00061404 0.00700230
-16.22141554 -1.77924887 5.29631467
0.00042802 0.00000305 0.00036219
0.03253410 0.00931679 -0.00771533
-9.13862550 3.53306437 -22.02563404
-0.00024489 -0.00022832 -0.00030758
0.00421436 0.02974364 0.02231642
2.15368446 1.21265575 -1.30254877
-0.00025560 -0.00018579 -0.00025703
-0.04033249 -0.01812140 -0.03248246
12.46717596 8.52813345 3.81596175
0.00028269 -0.00013676 -0.00005912
0.01551558 0.00953417 -0.01050942
-7.45648220 -4.18976276 2.44227986
-0.00016132 -0.00072434 0.00118359
0.05219484 -0.01269222 -0.01564098
-9.98632756 -3.63037331 2.16798033
-0.00038854 -0.00119447 -0.00027036
-0.00218198 0.00911900 0.02236488
-16.63450728 5.86398200 6.97870973
0.00007492 -0.00087323 -0.00036230
-0.01130482 -0.02304875 -0.01418361
-17.20537111 3.55717309 5.08820695
-0.00003284 -0.00032737 -0.00090112
0.00657196 0.00556199 -0.00267044
-16.36960907 0.85331717 0.49266688
-0.00052859 0.00033800 -0.00011281
0.03299341 -0.01941191 0.01057811
-16.95648165 -1.65508968 -0.23016956
0.00097297 0.00004480 0.00003367
-0.04114153 -0.04046697 -0.03137720
1.58312109 -20.87160286 14.91014639
-0.00056526 -0.00069263 -0.00019743
0.02127130 -0.01695167 0.00851978
3.30971716 -18.86246487 15.77750672
-0.00009133 -0.00013697 0.00063777
0.01797405 0.01084096 0.00757732
8.24815789 14.21102252 -1.21821656
-0.00044887 -0.00026906 0.00021612
-0.00516521 0.01231949 -0.00453320
7.38642959 16.40153338 0.39207591
-0.00073907 -0.00028180 0.00065670
-0.00491612 0.01008316 0.01318312
-8.48464857 9.48768671 12.38629372
-0.00055113 0.00081803 -0.00009545
0.00059068 -0.01131223 0.00501399
-10.66028811 11.18829578 11.56064627
-0.00001786 -0.00068774 -0.00028587
0.01163708 -0.02510371 -0.00265938
-9.97095084 0.22585904 -14.57318734
-0.00085666 0.00082199 -0.00025138
0.02362440 -0.00815788 0.01291792
-8.18097726 -2.06223413 -15.26063651
0.00053688 -0.00049730 -0.00102221
-0.00150813 0.01803634 0.00301960
-12.23077411 1.10106842 -7.04082139
-0.00027688 -0.00034772 0.00023074
0.01495644 0.01160155 0.00474720
-10.99368376 3.66569098 -5.77071570
-0.00099823 -0.00044225 -0.00023614
0.00526048 -0.01422770 -0.01577838
-1.99010825 -6.22952353 14.61403826
-0.00026195 -0.00062487 0.00019829
0.01877986 0.00451872 0.00461919
-0.38286530 -5.65072687 17.00351734
-0.00022003 0.00018545 0.00059449
-0.00052328 -0.00103906 0.03647814
-24.92182053 -0.52225776 -19.10054304
0.00041249 0.00028858 0.00011443
0.01965690 0.00649147 0.02882034
-25.59512105 0.92824748 -21.58502249
0.00005453 -0.00085608 -0.00035552
-0.00210404 0.02035012 -0.01332926
9.52490357 8.71590205 6.58366636
0.00003781 -0.00061684 -0.00062191
-0.00688343 -0.02390668 0.00928422
10.09932218 7.86975129 9.20890285
-0.00011517 0.00030270 0.00020434
-0.00729700 -0.00631902 -0.00324576
19.76549170 27.48729334 -4.01350199
0.00017489 0.00027925 0.00025001
0.01111157 0.01039747 -0.00819946
20.18618027 30.44188104 -4.37073910
0.00058908 -0.00061265 -0.00061713
0.00454042 -0.00323785 -0.00625389
6.05180347 -0.71716584 -6.96980964
0.00007480 -0.00107018 -0.00057928
0.03596002 -0.00989818 -0.00708514
7.30216123 -3.30454168 -7.18125441
0.00074397 0.00004503 0.00021822
-0.00165300 -0.02257968 0.00134650
-8.77966431 -2.17581808 12.20701634
-0.00045466 -0.00021502 0.00056685
0.00449805 -0.02520018 0.01997837
-11.06906226 -3.09056123 13.34180902
0.00056078 -0.00071369 -0.00052273
-0.02374886 -0.00235777 0.01384656
-1.30261939 -24.21567923 15.00694367
0.00066583 -0.00015598 0.00058147
0.00237168 -0.01069385 -0.00164134
-2.99810453 -22.13170575 13.84582774
0.00000435 0.00009260 0.00114267
-0.01559971 0.00028284 -0.00026467
-12.37088500 -8.02940906 -7.07923336
-0.00076356 -0.00102870 -0.00023829
-0.01573404 0.01262636 0.00352376
-10.33423170 -7.33313242 -9.20668616
-0.00062490 -0.00113737 0.00179829
-0.00550099 0.01010563 0.01111741
-16.21029000 -10.25721292 -15.89549535
-0.00005773 -0.00062679 -0.00064627
-0.00426605 -0.03820457 0.00107459
-14.23401263 -8.14660059 -16.19459278
0.00010827 -0.00012661 -0.00013150
-0.00081388 0.00449379 0.00047605
17.12828786 12.79767982 5.34196028
0.00077620 0.00049184 -0.00004523
0.00068827 -0.00000100 0.00906696
17.33856946 14.20992740 2.71757215
-0.00034141 0.00060408 0.00007942
-0.01043948 -0.01472643 0.01248893
18.44731663 -4.26959094 -15.03872719
-0.00009010 -0.00028884 0.00004642
0.00225297 -0.00092814 0.00052322
21.12629798 -3.01376205 -15.42075035
-0.00093689 0.00112882 -0.00027146
-0.01374047 -0.03310445 0.01217095
-1.33215174 7.17772237 -13.54068075
0.00127296 -0.00093455 0.00023957
0.01213033 -0.00173342 -0.01727074
0.10628147 7.01048813 -16.22467353
-0.00023850 0.00012017 -0.00120520
-0.01067008 0.00374595 0.01573034
0.81488037 0.53796114 -15.55052193
-0.00026089 0.00005760 -0.00021456
0.00125167 0.00243751 0.00317231
2.41009853 -1.00981373 -17.30050285
0.00003885 -0.00000319 0.00038545
0.04715348 -0.01054622 -0.00706609
12.19022712 22.68452602 -22.31915566
0.00053959 -0.00163319 -0.00012049
0.00147946 -0.02513530 -0.01821551
9.99447479 21.17235630 -23.15423235
0.00008242 -0.00045629 -0.00039008
-0.02961328 -0.00844549 -0.00679107
-9.88925068 16.10369932 -17.11016393
-0.00058277 -0.00056574 -0.00003892
-0.00704793 0.00026555 -0.00608118
-10.80697637 15.30903338 -14.47432155
-0.00012108 0.00089924 -0.00101084
-0.00032347 -0.00214023 0.00894923
3.13388242 18.60217581 11.38778488
-0.00016110 0.00110620 0.00029695
-0.02940637 0.02109321 0.00833802
4.88141354 18.09291085 9.10227589
-0.00029459 0.00094004 -0.00069219
-0.00466960 0.00192715 0.00252402
-3.82581468 -10.43171613 -3.28306548
-0.00174553 0.00027431 -0.00065017
-0.00504499 0.00298520 0.00833607
-1.30969088 -11.42906229 -1.89871002
0.00002559 -0.00033309 -0.00101499
-0.01493955 0.01129087 0.00220248
0.13702073 -7.16964219 4.87074115
0.00015927 -0.00098890 0.00029242
-0.00096582 0.00570147 0.00717932
2.88218623 -8.40360589 4.70350727
-0.00008819 -0.00034308 0.00107643
-0.03329608 0.01153498 -0.01699842
8.07626685 1.94883226 9.21491164
-0.00103866 -0.00032644 -0.00099289
0.00986239 0.00028172 -0.00492319
9.69605087 3.60127256 7.46122008
0.00036737 0.00108962 0.00032576
-0.00220391 0.01117857 0.00068117
-7.94293594 -8.71614065 -4.44616116
0.00048004 0.00058296 0.00042075
-0.00332157 -0.00330184 0.00650071
-8.00516095 -10.19542792 -1.89879049
0.00057193 -0.00040625 0.00064262
-0.02077435 -0.01037353 0.00837928
4.85062400 -13.63200205 -11.94701728
-0.00064962 0.00029703 -0.00038932
-0.01244021 0.01584696 -0.01566042
2.42283616 -13.18507667 -13.76033224
0.00030689 -0.00002860 -0.00025366
-0.00736132 -0.00471962 0.00300162
1.34653809 -6.08340884 0.16074427
-0.00007358 -0.00037575 0.00093618
-0.00491568 0.02138189 -0.01014709
-0.17711184 -3.59748547 -0.27119420
-0.00027261 -0.00026477 -0.00004340
-0.00720859 -0.00306953 0.00659318
17.49809690 3.39573654 25.76809748
-0.00013990 -0.00026724 0.00001660
-0.00378712 0.00706324 0.00769769
16.57316564 3.21956553 28.54363975
0.00033678 0.00015920 0.00024813
0.00705197 0.02968077 -0.03338951
-10.87138574 7.27282883 -3.88103128
-0.00058282 -0.00004642 0.00131055
-0.00650372 0.01005626 0.00351857
-8.40413639 7.08529040 -5.45838980
0.00121502 -0.00060923 0.00019455
-0.00693089 -0.00274581 0.00483611
-6.41467549 16.02030666 -9.15387452
0.00002600 -0.00037724 0.00005424
0.00806945 -0.00216773 0.00083306
-4.81860169 14.31322822 -10.97294859
-0.00008369 0.00035119 -0.00046181
0.00492821 0.00154769 0.00930464
2.78356301 10.72014165 -5.71279723
-0.00026646 0.00105483 0.00028692
0.00525197 0.01535511 -0.01567976
1.38390714 13.12050227 -6.93398751
0.00020139 -0.00025102 -0.00032518
0.02089109 -0.00739870 0.00466401
-2.70550759 11.03397275 -14.20992448
-0.00020879 0.00096074 0.00017110
0.03549045 -0.01429233 -0.01022216
-5.28461372 10.50838743 -13.31259403
0.00032407 0.00070363 0.00047847
-0.00884553 0.00087367 0.00088401
4.34871448 7.82878863 19.09536054
0.00076470 -0.00058918 0.00000019
-0.01025107 -0.01044500 -0.01908948
1.97080139 7.02968456 17.37645207
0.00022087 -0.00054027 0.00060931
0.01686043 -0.00035046 0.00659307
-13.40959421 8.73338609 -8.89962369
0.00009262 -0.00007463 -0.00078609
-0.04866944 -0.00709181 0.00767874
-16.32334542 8.38958245 -7.60925264
-0.00023188 0.00045277 0.00012898
0.00512233 -0.00750557 0.02500863
5.29296576 10.43756825 0.33280745
-0.00061200 0.00066499 0.00090701
-0.04241203 -0.02999936 0.00933785
2.20086242 9.93947351 1.38148793
0.00085236 0.00151476 -0.00114142
0.02948514 -0.01159013 -0.01891855
14.32750659 -23.82048545 -25.58019854
-0.00011811 0.00029532 -0.00010991
0.00333612 -0.00268456 0.00030622
14.96319457 -24.10259005 -28.37715812
0.00041604 -0.00124440 0.00028646
0.01970155 -0.00191415 0.03323016
4.38270211 3.40374683 -0.87851607
-0.00060150 0.00017347 0.00071283
0.01311531 0.01702923 0.01586555
5.06581353 5.86155689 0.59060285
0.00093608 0.00053802 0.00141350
0.00480631 -0.00834714 -0.00000740
17.25684678 -3.61723433 -0.47818499
0.00115749 0.00046828 -0.00043651
0.00185837 -0.01554297 0.00418344
16.41179575 -6.49401124 -0.80483644
-0.00129236 0.00033997 -0.00080551
-0.00224477 0.00170866 -0.01249156
-6.26165511 2.80741389 -1.78015503
0.00067194 -0.00040119 -0.00089161
-0.01711070 0.01141420 0.01331959
-5.12487276 1.14058206 -3.70778093
0.00060529 0.00082123 -0.00055595
-0.00070121 -0.01905850 -0.01156047
2.50931871 2.86554985 -11.30042883
0.00034399 -0.00013161 0.00020601
0.01060322 0.00367488 -0.00422950
0.11097604 1.65077645 -10.53568083
0.00157092 -0.00031929 0.00002213
-0.02835300 -0.03494586 0.04165198
17.08235220 8.00674360 -7.75359723
-0.00015965 0.00141653 0.00058165
-0.01590168 -0.01279487 -0.01000221
16.16530090 10.55761624 -7.06758280
-0.00059399 -0.00052577 0.00046724
-0.01538640 -0.00311676 0.00345531
-6.74814804 0.41415885 11.00864468
-0.00102676 0.00043197 -0.00006494
-0.00215512 0.01621524 0.02272172
-7.83900920 1.67411750 13.56596142
-0.00067971 -0.00072072 0.00120158
-0.03764974 0.01176591 0.01206223
-2.25119929 -16.76278086 13.93571780
0.00018569 0.00015471 0.00057704
0.02167136 -0.00417817 0.02341967
-4.56523671 -17.52347872 12.49343052
-0.00116291 0.00003578 -0.00079969
-0.03421541 -0.04701354 -0.01190305
6.82638787 -6.31688537 -4.43181196
-0.00032587 0.00006776 -0.00087669
0.01483938 0.00830738 0.00859983
5.52723407 -7.91761455 -6.19885675
-0.00018543 0.00043135 0.00002682
-0.00815824 -0.01271616 -0.01013471
-2.82732966 -11.47919824 2.24486992
-0.00013775 0.00018972 -0.00026698
0.01100652 -0.00341241 -0.00683769
-0.25194297 -10.18109300 2.41091678
-0.00005717 0.00074063 -0.00086700
-0.00331844 -0.00489275 -0.00453004
-14.62868077 -0.88995237 5.82455674
-0.00009866 0.00007528 0.00067228
-0.02998674 -0.01215141 -0.00313967
-15.91296712 -1.89570828 3.40760120
0.00013017 -0.00017604 0.00086764
-0.00409478 0.00580665 0.02055984
-9.56326766 4.79124463 -23.34810987
0.00007000 -0.00054383 -0.00056435
0.00320952 -0.01137195 0.00855186
-8.97790587 4.51641067 -20.40604811
-0.00003186 -0.00085344 -0.00091416
-0.00350396 -0.01227552 -0.02590733
1.82007761 1.15890792 -3.16944034
0.00096199 -0.00034996 0.00044477
0.01558122 0.00091583 0.02409815
0.62081362 0.37754458 -0.65187590
-0.00079293 -0.00058861 0.00098052
0.01685930 0.01188244 0.00207058
14.06374708 9.50450499 3.57915523
0.00027324 -0.00076133 -0.00034962
-0.02825390 -0.01032365 0.00220953
11.29770731 9.08404861 2.47832851
-0.00079809 -0.00075125 -0.00071925
0.01065050 0.00170686 0.00337210
5.43083802 -9.18549782 -10.57871741
-0.00007617 -0.00021684 0.00008619
-0.00103660 0.00548403 -0.00592079
-13.01818164 10.41604741 21.22738973
0.00005386 -0.00003014 0.00011654
0.00609637 0.00080892 -0.00183871
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06758290
0.32169419
428.64138603
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1865008112
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.3595879741 (a.u.)
total exchange computation time: 3.3307549953 s
-154.1466696295
-931.38957864
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1861114116
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.3591296988 (a.u.)
total exchange computation time: 3.2443289757 s
-154.1478143973
Anderson extrapolation: theta=0.9286698929 (0.9286698929)
-931.38939349
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1861114116
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3590767985 (a.u.)
total exchange computation time: 3.2442069054 s
-154.1497858716
Anderson extrapolation: theta=0.3008504436 (0.3008504436)
-931.38953380
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1861114116
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3590142715 (a.u.)
total exchange computation time: 3.2453119755 s
-154.1507770874
Anderson extrapolation: theta=0.3708419035 (0.3708419035)
-931.38955141
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1861114116
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.3589600448 (a.u.)
total exchange computation time: 3.2461309433 s
-154.1513779534
Anderson extrapolation: theta=1.3278467490 (1.3278467490)
-931.38955731
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1861114116
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.3588853869 (a.u.)
total exchange computation time: 3.2453079224 s
-154.1521448044
Anderson extrapolation: theta=0.4837162750 (0.4837162750)
-931.38956313
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1861114116
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3588611114 (a.u.)
total exchange computation time: 3.2478001118 s
-154.1523751202
Anderson extrapolation: theta=1.0621568394 (1.0621568394)
-931.38956566
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1861114116
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.3588566071 (a.u.)
total exchange computation time: 3.2462329865 s
-154.1524184537
Anderson extrapolation: theta=0.4649072956 (0.4649072956)
-931.38956778
237.952371 31.799691 245.826590
-142.329446 490.046452 -805.516521
95.622926 521.846143 -559.689931
771.180886
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1861114116
ExchangeOperator: bisection time: 1.783 s
total exchange = -52.3588738066 (a.u.)
total exchange computation time: 3.2456479073 s
678.58969718
-1083.07982911
89.82877520
-389.58562654
-174.78371153
77.96006127
551.60419304
0.00000000
-931.38956860
-8.77613983 -3.92393618 3.59347576
0.00007974 -0.00011817 0.00030760
-0.04317529 0.01900381 -0.01488249
-17.84128434 4.47495182 6.51763035
0.00008271 -0.00020311 -0.00006344
0.00720402 0.01466166 0.00989393
-15.56853056 -0.90312328 0.48908469
0.00009021 0.00002186 -0.00026703
0.01894277 0.05910297 0.01974292
3.33476566 -20.66936768 15.59982919
-0.00043903 0.00021680 -0.00023107
-0.04063112 0.00219576 -0.01221977
7.56754430 15.97957699 -1.33966592
0.00034478 0.00012653 -0.00003206
0.01017468 -0.02368195 0.00265696
-9.82518971 9.54149915 11.11413824
-0.00017868 -0.00023470 -0.00009678
-0.02205201 0.02776383 -0.00914763
-8.23899684 -0.50751198 -14.23483812
-0.00021529 0.00023376 -0.00014920
-0.01858073 -0.01274501 -0.01427035
-10.81067413 2.32165960 -7.06664512
0.00012736 0.00035337 0.00034160
-0.01772547 -0.01562935 -0.00408767
-0.26753616 -5.74371389 15.24459781
-0.00017059 0.00001178 0.00025224
-0.02287391 -0.00643899 -0.03437350
-25.57127243 -0.64979379 -20.73652504
-0.00043403 -0.00016344 0.00005035
-0.00887733 -0.02800027 -0.01717852
8.85929628 7.49898056 7.85940278
0.00002564 0.00002066 0.00000222
0.02068962 0.02045409 -0.01080619
20.78234293 28.73779929 -4.98714701
0.00003721 -0.00015318 -0.00016679
-0.00553577 -0.01967580 0.01812961
7.75934016 -1.56480727 -7.22732098
-0.00015208 0.00009210 -0.00006509
-0.03261937 0.03151397 0.00316991
-9.31779490 -3.51513381 13.45092275
0.00023544 0.00016926 0.00029851
0.01934068 0.02136268 -0.03648774
-1.29504019 -22.75758366 13.92298974
0.00009680 0.00009745 0.00011293
0.00917819 0.00993437 0.00418963
-11.07335871 -8.64937122 -8.19992537
0.00017083 0.00026116 0.00013313
0.01526540 -0.03400854 -0.00512887
-15.90894116 -8.56335119 -15.51249902
0.00005094 0.00004816 0.00009157
-0.00034980 0.02493080 -0.00130142
16.67546700 12.68431001 3.58064985
0.00039516 0.00013893 0.00009600
0.00802947 0.01445006 -0.02479673
20.20748277 -4.60468215 -14.73285615
-0.00024298 -0.00011457 -0.00001671
0.01909895 0.03230632 -0.01932470
-0.48111589 8.15153756 -14.88498911
0.00031118 0.00007808 -0.00006853
-0.00491664 -0.01110550 0.00173076
0.72580845 -0.72424528 -16.87780005
-0.00026046 0.00038359 -0.00027427
-0.04839074 0.01263768 0.01270197
11.78112994 20.99568864 -23.16805608
0.00041347 0.00002106 0.00002774
0.02523337 0.01960417 0.02062830
-11.28064361 15.24281162 -16.21327207
0.00004258 0.00010090 -0.00028092
-0.00891017 -0.01340437 0.00419580
4.46279013 17.60017465 10.81038191
0.00044315 0.00001113 -0.00033172
0.02470240 -0.01857362 -0.01302631
-2.14338863 -11.09489303 -3.53102703
0.00007027 -0.00003044 0.00022137
0.00584473 -0.00302317 -0.01275783
1.22221081 -8.11852632 3.74858124
0.00008823 -0.00013399 0.00016166
0.04639734 0.00089764 0.02094199
9.61502864 1.94437685 8.21051674
-0.00001381 0.00023354 0.00021476
-0.01233892 -0.00190431 -0.00179460
-6.94025686 -9.31649822 -3.04210641
-0.00011485 0.00039273 -0.00021982
0.01674494 0.01388307 -0.00428786
3.89723573 -12.39937506 -13.01942028
-0.00007019 0.00032920 -0.00020487
0.01491090 -0.00996874 0.01045308
1.19178604 -4.57377684 -0.94535869
0.00015595 0.00019643 0.00008193
0.00996711 -0.02383682 0.00831503
17.01087584 4.49759345 27.15602063
0.00036541 0.00012818 -0.00027484
-0.00572309 -0.03941473 0.02868320
-9.62905891 6.07579150 -4.44794512
-0.00012951 -0.00012979 0.00016718
0.00256346 0.01297055 0.00986532
-4.92488833 14.93168874 -9.22990587
0.00036221 0.00002041 -0.00021275
-0.00920940 0.00009623 -0.00658771
3.02204084 12.18498236 -6.86028664
-0.00019860 0.00002530 -0.00005293
-0.02449728 0.00141879 0.00781388
-4.18698591 11.89376685 -13.76263795
0.00023119 0.00005431 0.00003836
-0.03388054 0.01906950 0.01453741
3.86108574 7.24179106 17.36461367
0.00002164 0.00014827 -0.00016922
-0.01453338 0.00777794 0.01472413
-15.33677692 8.72402471 -9.07341453
-0.00038796 -0.00019014 -0.00004211
0.05127002 0.01018758 -0.02892470
3.73436261 9.22990310 0.51165479
-0.00003545 -0.00008214 0.00017105
0.02384205 0.03043533 0.00307765
15.83659528 -24.03010322 -26.66249372
0.00014072 -0.00005968 -0.00009571
-0.02929098 -0.00208448 -0.02737950
5.75112608 4.18140436 0.16260438
-0.00019210 -0.00015568 0.00016906
-0.01615332 0.00601335 -0.00712910
17.17209143 -5.28494775 0.32971488
0.00034700 0.00002668 -0.00015787
-0.00185997 0.00697842 -0.00364716
-4.68268334 2.45856754 -2.54672193
-0.00046521 -0.00018060 0.00046491
0.04023775 0.01651797 -0.00248295
0.85575159 2.43617537 -11.88197850
-0.00034160 0.00022918 -0.00013072
0.02441337 0.03171796 -0.05127549
15.43527259 8.88811355 -7.40422224
-0.00015131 -0.00026298 0.00024379
0.03130597 0.02302586 0.01049833
-6.39246181 0.97890598 12.78868462
-0.00022333 0.00011139 0.00008233
0.03576038 -0.01631057 -0.03970279
-3.52315030 -16.18359151 12.84833042
-0.00010752 -0.00004781 0.00027963
0.01228818 0.04079069 -0.02461631
7.05949407 -6.90273905 -6.16893279
0.00004434 0.00035576 -0.00036776
-0.01198658 0.00643644 0.00264913
-1.11571734 -11.58504562 1.48154643
0.00005834 -0.00021209 -0.00042423
-0.01468240 0.00306845 0.00929079
-16.21486980 -1.77916726 5.30171777
0.00044405 0.00000763 0.00035877
0.02982472 0.00849996 -0.00557043
-9.14228264 3.52975436 -22.03016170
-0.00024275 -0.00021379 -0.00029688
0.00412701 0.02672562 0.01931154
2.14969495 1.20979893 -1.30652957
-0.00027713 -0.00019568 -0.00027143
-0.04342239 -0.02032102 -0.02349729
12.47147619 8.52611888 3.81503437
0.00028910 -0.00013185 -0.00006545
0.00941867 0.00955710 -0.01409318
-7.45730264 -4.20101685 2.45955443
0.00005931 -0.00077676 0.00111259
0.05580701 -0.01296768 -0.01911371
-9.99222250 -3.64801086 2.16461025
-0.00039167 -0.00115742 -0.00017415
0.00064818 0.00901758 0.02473218
-16.63372993 5.85017727 6.97284063
0.00003316 -0.00096146 -0.00041809
-0.00913539 -0.02014120 -0.01312451
-17.20566234 3.55243290 5.07460830
-0.00001004 -0.00029929 -0.00090339
0.00458668 0.00818617 0.00155969
-16.37652694 0.85779240 0.49129894
-0.00039135 0.00025407 -0.00006989
0.03418922 -0.02167645 0.01042729
-16.94314779 -1.65565774 -0.23062600
0.00079270 -0.00012775 -0.00010110
-0.04710336 -0.04399513 -0.03459485
1.57529397 -20.88251182 14.90744594
-0.00047667 -0.00075875 -0.00016114
0.02209310 -0.01541448 0.00924850
3.30889806 -18.86418717 15.78730550
-0.00002001 -0.00008947 0.00066798
0.01693653 0.01240972 0.00721156
8.24126650 14.20736420 -1.21511364
-0.00046957 -0.00021775 0.00019720
-0.00496681 0.01279654 -0.00472799
7.37519296 16.39761538 0.40233034
-0.00075804 -0.00024365 0.00069859
-0.00437009 0.00859164 0.00732228
-8.49289742 9.49961059 12.38501568
-0.00054535 0.00076965 -0.00007296
0.00223637 -0.01237423 0.00599456
-10.66019945 11.17721047 11.55627672
0.00002576 -0.00078396 -0.00029654
0.00971644 -0.02199589 -0.00256186
-9.98307675 0.23793895 -14.57656217
-0.00075312 0.00078396 -0.00019795
0.02705661 -0.01046169 0.01323775
-8.17297034 -2.06914094 -15.27587717
0.00052826 -0.00041084 -0.00100209
-0.00270790 0.02428436 0.00683078
-12.23446903 1.09620808 -7.03721484
-0.00020864 -0.00029476 0.00024927
0.01844907 0.01432495 0.00432436
-11.00849608 3.65862123 -5.77474130
-0.00097662 -0.00049229 -0.00029311
0.00532107 -0.01026516 -0.01210710
-1.99346208 -6.23875810 14.61715417
-0.00018300 -0.00060508 0.00021812
0.01986986 0.00516859 0.00508474
-0.38618182 -5.64797693 17.01355250
-0.00022184 0.00018050 0.00073560
-0.00036170 -0.00138352 0.03259720
-24.91503077 -0.51773021 -19.09794345
0.00048983 0.00031446 0.00022349
0.01820090 0.00618143 0.02456597
-25.59436761 0.91602994 -21.59076370
0.00004565 -0.00076658 -0.00041321
-0.00224350 0.02345679 -0.01490936
9.52525978 8.70591681 6.57462214
0.00001060 -0.00071390 -0.00058319
-0.00643694 -0.02360187 0.00967065
10.09737109 7.87409822 9.21186854
-0.00014562 0.00027681 0.00018914
-0.00760918 -0.00635496 -0.00419879
19.76845558 27.49180075 -4.01000313
0.00021922 0.00032021 0.00021718
0.01058764 0.00965129 -0.00786822
20.19515568 30.43259206 -4.38018766
0.00060502 -0.00061895 -0.00064003
0.00326020 0.00015192 -0.00495863
6.05402737 -0.73352188 -6.97871603
0.00021400 -0.00110540 -0.00060659
0.03218156 -0.00734372 -0.00628295
7.31327018 -3.30455819 -7.17793989
0.00073737 -0.00004944 0.00022377
-0.00158142 -0.02366201 0.00137263
-8.78634633 -2.17981566 12.21613126
-0.00043183 -0.00031197 0.00064318
0.00667635 -0.02225728 0.01738551
-11.06137832 -3.10133888 13.33439237
0.00045626 -0.00072284 -0.00046602
-0.02741339 -0.00211880 0.01391237
-1.29255930 -24.21834668 15.01561539
0.00067534 -0.00019380 0.00056993
0.00228337 -0.00781582 -0.00400421
-2.99851737 -22.13030809 13.86295970
-0.00005828 0.00009367 0.00114094
-0.01505704 0.00024133 -0.00058331
-12.38282060 -8.04445271 -7.08269965
-0.00082655 -0.00097691 -0.00022413
-0.01509651 0.01272560 0.00340669
-10.34377376 -7.34988327 -9.17937112
-0.00063207 -0.00106801 0.00182231
0.00199083 0.02384380 0.00064202
-16.21128668 -10.26778549 -15.90515655
-0.00007232 -0.00076638 -0.00063804
-0.00287362 -0.03012293 0.00295529
-14.23241358 -8.14836209 -16.19655076
0.00010380 -0.00010827 -0.00012904
-0.00137360 0.00448421 0.00072886
17.13995198 12.80505745 5.34155968
0.00077844 0.00049125 -0.00000819
0.00040634 -0.00029161 0.00906292
17.33312838 14.21853739 2.71914622
-0.00038389 0.00054279 0.00013004
-0.01035408 -0.01527740 0.01228855
18.44603419 -4.27395204 -15.03801481
-0.00008476 -0.00029287 0.00004848
0.00036180 -0.00104026 0.00048517
21.11182354 -2.99784421 -15.42444934
-0.00099386 0.00098702 -0.00021936
-0.01414456 -0.03630698 0.01333524
-1.31268561 7.16365096 -13.53761647
0.00132332 -0.00093877 0.00016633
0.01252228 -0.00032889 -0.01857880
0.10237701 7.01240550 -16.24226944
-0.00028430 0.00014082 -0.00113483
-0.01174907 0.00636358 0.01871300
0.81100533 0.53889984 -15.55364306
-0.00025605 0.00006977 -0.00019957
0.00112012 0.00352025 0.00416451
2.41212625 -1.01018476 -17.29493765
0.00022631 -0.00004604 0.00035798
0.04460834 -0.01042703 -0.00638158
12.19836634 22.65925790 -22.32152119
0.00054768 -0.00172256 -0.00018845
0.00248166 -0.01860875 -0.01505175
9.99480358 21.16525323 -23.16029159
-0.00003229 -0.00049027 -0.00041734
-0.02653495 -0.00819010 -0.00655648
-9.89820812 16.09522138 -17.11093405
-0.00060349 -0.00055998 -0.00006915
-0.00309526 0.00255370 -0.00871770
-10.80880246 15.32245644 -14.48920993
-0.00011981 0.00089089 -0.00096205
0.00094552 -0.00194815 0.01493515
3.13056485 18.61941522 11.39249470
-0.00026146 0.00117704 0.00032330
-0.01971916 0.01358099 0.00456032
4.87685159 18.10707055 9.09197036
-0.00031414 0.00094546 -0.00067651
-0.00490165 0.00072623 0.00515075
-3.85215229 -10.42751003 -3.29256261
-0.00174302 0.00027780 -0.00061712
0.00627749 -0.00127442 0.00784297
-1.30976478 -11.43371269 -1.91386740
-0.00003142 -0.00028862 -0.00099309
-0.01297030 0.01048070 0.00851850
0.13938024 -7.18430098 4.87534745
0.00015068 -0.00096206 0.00032485
-0.00324118 0.00743924 0.00869501
2.87984303 -8.40839868 4.71913278
-0.00022546 -0.00029604 0.00100432
-0.03389886 0.01149364 -0.01829611
8.06098924 1.94394429 9.19986747
-0.00099599 -0.00032467 -0.00101427
0.01102345 0.00058380 -0.00554126
9.70149384 3.61795936 7.46612734
0.00035732 0.00112487 0.00033361
-0.00271271 0.00607738 0.00316172
-7.93583718 -8.70749737 -4.43965068
0.00045848 0.00057248 0.00043895
-0.00723174 -0.00183052 0.00240785
-7.99721860 -10.20183954 -1.88889442
0.00049218 -0.00044328 0.00066913
-0.01826508 -0.00775396 0.00459725
4.84049852 -13.62706096 -11.95333702
-0.00069700 0.00035890 -0.00045019
-0.01075274 0.01443722 -0.01413399
2.42721389 -13.18565030 -13.76404513
0.00027452 -0.00004796 -0.00024299
-0.00848255 -0.00475761 0.00221897
1.34528375 -6.08838985 0.17447598
-0.00009413 -0.00027952 0.00088758
-0.00514335 0.02572263 -0.01364149
-0.18142190 -3.60155108 -0.27164315
-0.00030182 -0.00027717 -0.00001698
-0.00708727 -0.00300105 0.00633792
17.49588235 3.39194441 25.76858241
-0.00015479 -0.00023948 0.00004605
-0.00350273 0.00652376 0.00671706
16.57843345 3.22286311 28.54633857
0.00036612 0.00028240 0.00010958
0.00731002 0.03062493 -0.03443397
-10.88032735 7.27244065 -3.86126521
-0.00059929 -0.00001144 0.00131955
-0.00155882 0.00707010 0.00088667
-8.38612345 7.07606782 -5.45532337
0.00117899 -0.00062206 0.00021898
-0.01070722 -0.00353551 0.00712284
-6.41403826 16.01458161 -9.15303538
0.00005942 -0.00038585 0.00005793
0.00829383 -0.00204609 0.00097064
-4.81970608 14.31854352 -10.97959054
-0.00006283 0.00035750 -0.00042266
0.00528436 0.00153934 0.00985937
2.77972702 10.73643463 -5.70897392
-0.00024578 0.00111062 0.00022756
0.00487052 0.01195559 -0.01337829
1.38756816 13.11651030 -6.93872228
0.00028129 -0.00027771 -0.00030636
0.01821992 -0.00567036 0.00454629
-2.70755193 11.04794592 -14.20767120
-0.00005217 0.00089456 0.00012619
0.04117595 -0.01810187 -0.01176172
-5.28002370 10.51896858 -13.30538985
0.00028508 0.00070155 0.00048317
-0.01024128 -0.00189026 0.00141586
4.35987080 7.81963080 19.09477841
0.00072218 -0.00063184 -0.00007923
-0.01056143 -0.01043722 -0.01978684
1.97463107 7.02156979 17.38579377
0.00028852 -0.00054103 0.00063553
0.01625380 -0.00002018 0.00624277
-13.40969632 8.73204938 -8.91117976
-0.00010985 -0.00010388 -0.00075354
-0.05043775 -0.00722923 0.00825442
-16.32666673 8.39614399 -7.60655164
-0.00021085 0.00042176 0.00023198
0.00517301 -0.00767264 0.02541304
5.28248618 10.44662389 0.34669875
-0.00078321 0.00054047 0.00094272
-0.04139741 -0.03095488 0.00814259
2.21455137 9.96183981 1.36378688
0.00096366 0.00146757 -0.00121369
0.02499506 -0.01151281 -0.01645950
14.32583710 -23.81613793 -25.58183779
-0.00010175 0.00028413 -0.00011012
0.00467360 -0.00279361 -0.00041134
14.97003886 -24.12131468 -28.37184297
0.00049427 -0.00125149 0.00041756
0.01859464 -0.00155939 0.03094573
4.37408152 3.40687073 -0.86733752
-0.00055043 0.00024316 0.00077631
0.01188207 0.01708203 0.01521169
5.08000207 5.86937143 0.61180518
0.00095641 0.00049691 0.00141033
0.00514352 -0.01177916 -0.00154818
17.27426613 -3.61068644 -0.48460442
0.00116366 0.00039857 -0.00041550
0.00115963 -0.01857812 0.00610052
16.39234161 -6.48885929 -0.81730194
-0.00129497 0.00035546 -0.00084759
0.00096388 0.00587200 -0.00810699
-6.25210038 2.80174574 -1.79312107
0.00057714 -0.00034949 -0.00082562
-0.02929351 0.01389552 0.01898525
-5.11581483 1.15231647 -3.71647450
0.00060117 0.00074068 -0.00060547
-0.00131874 -0.02036951 -0.01267874
2.51480345 2.86368832 -11.29746827
0.00037809 -0.00011799 0.00018336
0.00608794 0.00299354 -0.00685735
0.13367102 1.64491625 -10.53407254
0.00145001 -0.00046678 0.00019803
-0.03083257 -0.03725147 0.04445353
17.07947016 8.02759948 -7.74517905
-0.00021719 0.00135702 0.00053834
-0.01226360 -0.01633414 -0.01119594
16.15591956 10.54963425 -7.06046830
-0.00065623 -0.00053231 0.00048298
-0.01508161 -0.00008465 0.00424957
-6.76361545 0.42113528 11.00836681
-0.00103454 0.00049796 0.00002932
-0.00165321 0.01608598 0.02342170
-7.85035850 1.66366725 13.58435474
-0.00082507 -0.00067639 0.00124681
-0.03350548 0.00993588 0.01007942
-2.24774985 -16.76058818 13.94509104
0.00026730 0.00013761 0.00066767
0.01827871 -0.00419252 0.02094706
-4.58372880 -17.52438267 12.48107045
-0.00128942 -0.00014222 -0.00084311
-0.02771346 -0.04011749 -0.00935082
6.82195449 -6.31561434 -4.44469878
-0.00026475 0.00010466 -0.00083420
0.01507949 0.00975551 0.01219961
5.52420261 -7.91153390 -6.19876508
-0.00021714 0.00038013 -0.00001592
-0.00736123 -0.01235741 -0.01078445
-2.82905864 -11.47645699 2.24065574
-0.00008990 0.00017569 -0.00029627
0.01241608 -0.00345799 -0.00750047
-0.25290222 -10.17013354 2.39777297
-0.00007312 0.00071535 -0.00088753
-0.00448948 -0.00748246 -0.00552201
-14.63107950 -0.88919549 5.83454471
-0.00021687 0.00002764 0.00065977
-0.02788038 -0.01116954 -0.00298270
-15.91114006 -1.89817098 3.42124576
0.00011491 -0.00015256 0.00094611
-0.00337347 0.00568872 0.01785306
-9.56211934 4.78273866 -23.35631304
0.00008302 -0.00058886 -0.00053030
0.00316253 -0.01066852 0.00811460
-8.97849120 4.50323290 -20.42055442
-0.00004547 -0.00089925 -0.00101299
-0.00315506 -0.01014866 -0.02246857
1.83498496 1.15368652 -3.16203037
0.00102081 -0.00034763 0.00053248
0.01321183 0.00022707 0.01883811
0.60943635 0.36907958 -0.63710472
-0.00071281 -0.00053383 0.00098097
0.02235801 0.01493117 -0.00185033
14.06697996 9.49276873 3.57397862
0.00016064 -0.00080050 -0.00034176
-0.02686566 -0.00885296 0.00163780
11.28606237 9.07283220 2.46764314
-0.00074511 -0.00074680 -0.00069677
0.01528136 0.00046942 0.00762967
5.42969270 -9.18873562 -10.57744047
-0.00007654 -0.00021485 0.00008404
-0.00103797 0.00560562 -0.00607621
-13.01736314 10.41559679 21.22913465
0.00005528 -0.00002996 0.00011612
0.00617308 0.00072420 -0.00175827
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06719153
0.32237707
429.55128831
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1857652785
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3606291602 (a.u.)
total exchange computation time: 3.3560881615 s
-154.1458429335
-931.38954992
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1857652785
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3606031229 (a.u.)
total exchange computation time: 3.3608179092 s
-154.1472283790
Anderson extrapolation: theta=1.3511040216 (1.3511040216)
-931.38978434
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1857652785
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3604791966 (a.u.)
total exchange computation time: 3.3589160442 s
-154.1496478234
Anderson extrapolation: theta=0.0583304114 (0.0583304114)
-931.38992593
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1857652785
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3603961756 (a.u.)
total exchange computation time: 3.3568391800 s
-154.1503079131
Anderson extrapolation: theta=2.1464066962 (2.0000000000)
-931.38993255
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1857652785
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3601979597 (a.u.)
total exchange computation time: 3.3586940765 s
-154.1517893448
Anderson extrapolation: theta=0.3213458525 (0.3213458525)
-931.38994082
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1857652785
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3601228035 (a.u.)
total exchange computation time: 3.3582408428 s
-154.1522752900
Anderson extrapolation: theta=1.3864146891 (1.3864146891)
-931.38994286
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1857652785
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3600312985 (a.u.)
total exchange computation time: 3.3608479500 s
-154.1527904919
Anderson extrapolation: theta=0.3990859602 (0.3990859602)
-931.38994477
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1857652785
ExchangeOperator: bisection time: 1.692 s
total exchange = -52.3600109626 (a.u.)
total exchange computation time: 3.3579311371 s
-154.1528276950
Anderson extrapolation: theta=0.9909261473 (0.9909261473)
-931.38994532
237.878887 31.709673 245.833782
-142.353184 490.019298 -805.532112
95.525703 521.728970 -559.698330
771.095649
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1857652785
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3600045809 (a.u.)
total exchange computation time: 3.3572721481 s
678.60344969
-1083.10964101
89.82758363
-389.56605474
-174.78527860
77.97367440
551.60419304
0.00000000
-931.38994561
-8.77511028 -3.92563540 3.59803235
0.00005657 -0.00010827 0.00029985
-0.04694115 0.01948831 -0.01526244
-17.84001595 4.47196173 6.51671698
0.00008622 -0.00019713 -0.00005975
0.00646388 0.00859742 0.00442920
-15.56710429 -0.90256741 0.48515535
0.00010066 0.00005310 -0.00025631
0.02168226 0.06237495 0.02196313
3.32802352 -20.66610726 15.59631606
-0.00045966 0.00021722 -0.00023734
-0.03961112 -0.00054093 -0.01216744
7.57275527 15.98138365 -1.34013657
0.00034975 0.00011474 -0.00002914
0.00913335 -0.02218455 0.00868811
-9.82795491 9.53808578 11.11265118
-0.00018977 -0.00022111 -0.00010173
-0.02107031 0.02507356 -0.01006289
-8.24229790 -0.50405475 -14.23713119
-0.00022527 0.00022636 -0.00015740
-0.02022756 -0.01602938 -0.01761932
-10.80883211 2.32689980 -7.06153684
0.00011750 0.00034348 0.00033850
-0.02060775 -0.02281179 -0.00796786
-0.27018330 -5.74356201 15.24824879
-0.00018252 0.00000851 0.00023585
-0.02351872 -0.00626350 -0.02937346
-25.57781716 -0.65235340 -20.73583599
-0.00043806 -0.00017822 0.00004322
-0.00678244 -0.02946190 -0.01055646
8.85976067 7.49936942 7.85939442
0.00003616 0.00003091 -0.00000317
0.02021735 0.01939382 -0.01014571
20.78287972 28.73542570 -4.98957900
0.00003494 -0.00016394 -0.00015789
-0.00329233 -0.02216902 0.01648651
7.75693307 -1.56330415 -7.22828510
-0.00016766 0.00010763 -0.00006367
-0.02796646 0.02887580 0.00234979
-9.31418862 -3.51251246 13.45525961
0.00024551 0.00017927 0.00028059
0.01978623 0.01754981 -0.03319133
-1.29355282 -22.75608355 13.92469989
0.00010132 0.00010180 0.00011571
0.00841233 0.00698018 0.00662177
-11.07073739 -8.64558504 -8.19794817
0.00017629 0.00023984 0.00013355
0.00598632 -0.04889343 0.00674235
-15.90817845 -8.56253259 -15.51113042
0.00005050 0.00005869 0.00009031
-0.00133337 0.01602676 -0.00361035
16.68142543 12.68644966 3.58199426
0.00039929 0.00014646 0.00008342
0.00800536 0.01485363 -0.02414578
20.20391178 -4.60627613 -14.73318130
-0.00023263 -0.00009734 -0.00002685
0.02112759 0.03471470 -0.02009921
-0.47646717 8.15266596 -14.88601035
0.00030880 0.00007152 -0.00006805
-0.00431593 -0.01441212 0.00011731
0.72171482 -0.71844273 -16.88186511
-0.00028413 0.00038969 -0.00026828
-0.04365204 0.01109604 0.01059264
11.78742938 20.99608014 -23.16756047
0.00042498 0.00002904 0.00003723
0.01949417 0.01141223 0.01627279
-11.28003924 15.24427334 -16.21746964
0.00003656 0.00009324 -0.00027939
-0.01450125 -0.01635900 0.00174489
4.46953264 17.60026998 10.80535589
0.00045337 0.00000388 -0.00033803
0.01504312 -0.00963540 -0.01151175
-2.14231203 -11.09536125 -3.52775573
0.00006995 -0.00003070 0.00021308
-0.00710152 0.00200739 -0.01947582
1.22371319 -8.12053276 3.75108694
0.00011254 -0.00013382 0.00017226
0.04813127 -0.00021220 0.02028530
9.61477394 1.94787260 8.21373127
-0.00002027 0.00023383 0.00021335
-0.01280866 0.00304001 -0.00368863
-6.94191499 -9.31055379 -3.04542020
-0.00010593 0.00039865 -0.00021986
0.01794904 0.00914224 0.00412706
3.89624033 -12.39447557 -13.02245308
-0.00006287 0.00032450 -0.00019987
0.01356581 -0.00829855 0.00900395
1.19416371 -4.57092234 -0.94409766
0.00016098 0.00018328 0.00008707
0.00961150 -0.02729155 0.01165342
17.01633498 4.49936415 27.15200865
0.00036236 0.00010805 -0.00025977
-0.00615138 -0.03887333 0.02994250
-9.63099164 6.07389464 -4.44539942
-0.00012858 -0.00012211 0.00017244
0.00102707 0.01690684 0.01060589
-4.91949067 14.93199519 -9.23312254
0.00035738 0.00002042 -0.00021623
-0.00959800 -0.00003019 -0.00694891
3.01896736 12.18536730 -6.86105050
-0.00021023 0.00002651 -0.00004954
-0.02071401 0.00328188 0.00539382
-4.18364868 11.89465500 -13.76200653
0.00021308 0.00006551 0.00004599
-0.03657765 0.02449400 0.01514664
3.86135428 7.24404508 17.36213222
0.00001452 0.00015217 -0.00016152
-0.01315583 0.00737730 0.01520677
-15.34239858 8.72121190 -9.07415773
-0.00036159 -0.00018491 -0.00005699
0.05128551 0.01015019 -0.02894261
3.73392286 9.22878834 0.51423245
-0.00002234 -0.00006655 0.00017231
0.02711099 0.03021757 0.00180926
15.83859312 -24.03100651 -26.66403505
0.00012580 -0.00006079 -0.00010880
-0.02872239 -0.00222228 -0.02351611
5.74818222 4.17909238 0.16511277
-0.00020016 -0.00015172 0.00016601
-0.01516581 0.00938063 -0.00471527
17.17728919 -5.28452063 0.32733277
0.00034530 0.00002981 -0.00016119
-0.00472566 0.00517639 -0.00925166
-4.68950624 2.45592218 -2.53975780
-0.00044136 -0.00017261 0.00046237
0.05249679 0.01457969 -0.00742041
0.85072182 2.43973536 -11.88413707
-0.00032775 0.00024581 -0.00015641
0.02944025 0.03295888 -0.04864413
15.43312368 8.88425760 -7.40052490
-0.00013638 -0.00025110 0.00024926
0.02677048 0.02320305 0.01078820
-6.39567383 0.98051398 12.78976641
-0.00020643 0.00010373 0.00006262
0.02996702 -0.01347974 -0.03695541
-3.52471565 -16.18415125 12.85242988
-0.00010213 -0.00002904 0.00026695
0.00866406 0.03218670 -0.02469413
7.06011288 -6.89737786 -6.17443893
0.00003781 0.00035847 -0.00036710
-0.01339126 0.00412465 -0.00008225
-1.11489885 -11.58821518 1.47521887
0.00005083 -0.00020993 -0.00041896
-0.01454598 0.00535450 0.01120599
-16.20809396 -1.77902007 5.30707791
0.00045842 0.00001168 0.00035654
0.02604410 0.00724394 -0.00312657
-9.14590795 3.52665054 -22.03454038
-0.00024068 -0.00020109 -0.00028802
0.00391164 0.02266423 0.01514122
2.14537046 1.20678534 -1.31069165
-0.00029991 -0.00020651 -0.00028096
-0.04516050 -0.02177875 -0.01355161
12.47584908 8.52417803 3.81399827
0.00029224 -0.00012703 -0.00007342
0.00275986 0.00918044 -0.01689841
-7.45470288 -4.21306568 2.47565759
0.00029098 -0.00082965 0.00103014
0.05759464 -0.01291878 -0.02124472
-9.99807772 -3.66509576 2.16275592
-0.00038359 -0.00112062 -0.00006920
0.00330771 0.00899463 0.02663944
-16.63351244 5.83513816 6.96616717
0.00000128 -0.00103662 -0.00046905
-0.00647276 -0.01664948 -0.01182162
-17.20567246 3.54819442 5.06110524
0.00000476 -0.00026087 -0.00088872
0.00265925 0.01062206 0.00562360
-16.38134948 0.86093915 0.49057004
-0.00025019 0.00016216 -0.00002783
0.03490934 -0.02331440 0.01016550
-16.93270072 -1.65892210 -0.23320263
0.00059342 -0.00031144 -0.00024613
-0.05044209 -0.04592418 -0.03639702
1.56882085 -20.89436548 14.90531230
-0.00038583 -0.00081837 -0.00012226
0.02237686 -0.01377030 0.00978152
3.30911694 -18.86514893 15.79754625
0.00004684 -0.00003659 0.00069654
0.01578762 0.01347594 0.00676748
8.23407071 14.20449013 -1.21230049
-0.00048920 -0.00016518 0.00017761
-0.00464018 0.01293454 -0.00486238
7.36368851 16.39422392 0.41303353
-0.00077447 -0.00021163 0.00071612
-0.00367420 0.00708270 0.00125940
-8.50100921 9.51077610 12.38410501
-0.00053322 0.00071704 -0.00004679
0.00370437 -0.01337699 0.00681574
-10.65951531 11.16477711 11.55175016
0.00006077 -0.00086603 -0.00030649
0.00742225 -0.01818129 -0.00230883
-9.99354447 0.24937771 -14.57912571
-0.00063705 0.00073718 -0.00014359
0.02976305 -0.01243573 0.01337176
-8.16512936 -2.07455945 -15.29069919
0.00051476 -0.00030072 -0.00096748
-0.00389994 0.02962300 0.01010860
-12.23703328 1.09222566 -7.03334326
-0.00012744 -0.00023179 0.00026605
0.02129603 0.01649963 0.00388730
-11.02298228 3.65092236 -5.77950890
-0.00095505 -0.00052515 -0.00033414
0.00523568 -0.00582116 -0.00797847
-1.99559817 -6.24767590 14.62058171
-0.00010069 -0.00058295 0.00023950
0.02041960 0.00566459 0.00538236
-0.38952051 -5.64531179 17.02558542
-0.00022284 0.00017398 0.00085825
-0.00012643 -0.00180890 0.02743898
-24.90712554 -0.51282381 -19.09383831
0.00056020 0.00033887 0.00031309
0.01624543 0.00576496 0.01929441
-25.59375166 0.90524997 -21.59741864
0.00003622 -0.00066625 -0.00047646
-0.00237204 0.02565632 -0.01605431
9.52522151 8.69448510 6.56617059
-0.00001435 -0.00080882 -0.00054373
-0.00577700 -0.02286137 0.00964561
10.09495366 7.87805568 9.21457691
-0.00017695 0.00025093 0.00017044
-0.00773006 -0.00631723 -0.00495313
19.77206833 27.49689965 -4.00698649
0.00026084 0.00035748 0.00018627
0.00978582 0.00859116 -0.00726588
20.20433088 30.42331239 -4.38994013
0.00061560 -0.00061102 -0.00065754
0.00192064 0.00373446 -0.00361140
6.05822355 -0.75032798 -6.98800747
0.00033569 -0.00112943 -0.00063043
0.02738362 -0.00441675 -0.00538638
7.32428220 -3.30602485 -7.17454125
0.00073147 -0.00014638 0.00022939
-0.00130649 -0.02379340 0.00137544
-8.79261919 -2.18517729 12.22631168
-0.00039983 -0.00039555 0.00070770
0.00898907 -0.01865501 0.01419685
-11.05537444 -3.11224638 13.32782837
0.00033881 -0.00073141 -0.00040916
-0.03008168 -0.00207677 0.01392259
-1.28235926 -24.22149313 15.02404170
0.00068442 -0.00021980 0.00054866
0.00216312 -0.00491455 -0.00640958
-2.99985300 -22.12889564 13.88005592
-0.00011767 0.00009419 0.00113791
-0.01401494 0.00001348 -0.00090045
-12.39568140 -8.05871646 -7.08595717
-0.00088577 -0.00092531 -0.00021136
-0.01389185 0.01253461 0.00284105
-10.35319380 -7.36517283 -9.15201673
-0.00060713 -0.00093997 0.00180196
0.01021541 0.03883507 -0.01060516
-16.21245947 -10.28020419 -15.91463662
-0.00008092 -0.00087139 -0.00062166
-0.00134017 -0.02128181 0.00506491
-14.23089872 -8.14984878 -16.19846406
0.00009711 -0.00009005 -0.00012556
-0.00190009 0.00443698 0.00097744
17.15164100 12.81241721 5.34171450
0.00077934 0.00048938 0.00002817
0.00003463 -0.00062401 0.00873562
17.32705273 14.22621108 2.72147340
-0.00042557 0.00048018 0.00017929
-0.01004954 -0.01536889 0.01181798
18.44477392 -4.27837689 -15.03727269
-0.00008712 -0.00029734 0.00005039
-0.00151627 -0.00115196 0.00044947
21.09648223 -2.98415148 -15.42733106
-0.00105168 0.00083360 -0.00016306
-0.01416071 -0.03879199 0.01422329
-1.29245204 7.14955939 -13.53569081
0.00137474 -0.00093762 0.00008856
0.01264681 0.00088964 -0.01949200
0.09775250 7.01471287 -16.25871851
-0.00033396 0.00017141 -0.00105328
-0.01256081 0.00860835 0.02120918
0.80719894 0.54005429 -15.55650896
-0.00025172 0.00008621 -0.00018064
0.00099997 0.00452470 0.00509927
2.41688784 -1.01119482 -17.28976355
0.00039937 -0.00008757 0.00033430
0.04010760 -0.00990308 -0.00520758
12.20665764 22.63284932 -22.32480918
0.00056043 -0.00178303 -0.00024207
0.00375694 -0.01099565 -0.01119694
9.99350615 21.15764822 -23.16675266
-0.00013237 -0.00052318 -0.00044346
-0.02245819 -0.00791742 -0.00622539
-9.90735527 16.08689995 -17.11223845
-0.00060774 -0.00054469 -0.00011031
0.00101372 0.00493208 -0.01142792
-10.81057061 15.33576011 -14.50318298
-0.00011349 0.00088350 -0.00088956
0.00214585 -0.00166895 0.02054999
3.12603877 18.63748695 11.39748401
-0.00032218 0.00121686 0.00033403
-0.01000410 0.00591044 0.00069031
4.87198922 18.12127477 9.08198050
-0.00033446 0.00094599 -0.00065050
-0.00504469 -0.00046898 0.00758503
-3.87810517 -10.42338203 -3.30157907
-0.00169644 0.00026488 -0.00058566
0.01652176 -0.00505242 0.00755835
-1.31063359 -11.43772077 -1.92850271
-0.00007975 -0.00024784 -0.00094478
-0.01068680 0.00947888 0.01513068
0.14154111 -7.19850384 4.88048664
0.00013320 -0.00092859 0.00036294
-0.00531443 0.00894106 0.00995181
2.87542229 -8.41248708 4.73363699
-0.00036355 -0.00024951 0.00092778
-0.03369528 0.01128245 -0.01917397
8.04638721 1.93909210 9.18448369
-0.00094897 -0.00032164 -0.00103784
0.01199244 0.00090031 -0.00599950
9.70677056 3.63501862 7.47122838
0.00034517 0.00113940 0.00035141
-0.00323679 0.00103436 0.00554928
-7.92918162 -8.69896627 -4.43299262
0.00042082 0.00056825 0.00044003
-0.01120237 -0.00024110 -0.00188135
-7.99039564 -10.20872637 -1.87871661
0.00042330 -0.00046892 0.00067939
-0.01545000 -0.00479734 0.00042595
4.82971406 -13.62123507 -11.96052299
-0.00073678 0.00041400 -0.00050401
-0.00871855 0.01253662 -0.01220928
2.43107176 -13.18651550 -13.76762203
0.00023808 -0.00006718 -0.00023531
-0.00935656 -0.00465101 0.00154245
1.34371420 -6.09179441 0.18737165
-0.00011530 -0.00016737 0.00082587
-0.00522053 0.02917729 -0.01656467
-0.18616631 -3.60580062 -0.27170368
-0.00033004 -0.00028951 0.00000809
-0.00673049 -0.00303881 0.00593738
17.49345314 3.38855211 25.76947900
-0.00016842 -0.00021423 0.00007103
-0.00316981 0.00583524 0.00550908
16.58414926 3.22803758 28.54692706
0.00039599 0.00040799 -0.00003155
0.00730928 0.03085125 -0.03464903
-10.88936451 7.27248577 -3.84144480
-0.00059573 0.00001140 0.00131779
0.00330228 0.00410887 -0.00174550
-8.36876670 7.06662857 -5.45182041
0.00112808 -0.00063772 0.00025228
-0.01421378 -0.00412819 0.00917563
-6.41289274 16.00873116 -9.15213675
0.00009336 -0.00039372 0.00006216
0.00831914 -0.00180784 0.00109996
-4.82048660 14.32395316 -10.98562825
-0.00004055 0.00036359 -0.00038175
0.00562332 0.00144496 0.01016305
2.77618953 10.75346033 -5.70597051
-0.00022687 0.00115163 0.00017850
0.00438637 0.00811561 -0.01063328
1.39234581 13.11217082 -6.94317842
0.00034909 -0.00029673 -0.00028816
0.01496765 -0.00363761 0.00436678
-2.70707276 11.06080969 -14.20613876
0.00012446 0.00081454 0.00007596
0.04528632 -0.02106883 -0.01282740
-5.27606132 10.52943388 -13.29809890
0.00024072 0.00068840 0.00048999
-0.01147087 -0.00454480 0.00192382
4.37037985 7.80983332 19.09298362
0.00067885 -0.00067409 -0.00016043
-0.01065021 -0.01024328 -0.01995920
1.97945689 7.01345379 17.39551807
0.00035291 -0.00054056 0.00066022
0.01526503 0.00025040 0.00584247
-13.41288956 8.73026961 -8.92222994
-0.00031709 -0.00013362 -0.00071857
-0.05101182 -0.00732683 0.00886703
-16.32967100 8.40223531 -7.60229317
-0.00018875 0.00039043 0.00033492
0.00564784 -0.00766559 0.02497802
5.26946950 10.45378242 0.36108908
-0.00094863 0.00041327 0.00097340
-0.03957715 -0.03131252 0.00687593
2.22977216 9.98350053 1.34507709
0.00105525 0.00142153 -0.00127529
0.01983909 -0.01102318 -0.01369329
14.32445404 -23.81196163 -25.58350226
-0.00008020 0.00027250 -0.00011305
0.00587795 -0.00289650 -0.00102078
14.97802274 -24.14013488 -28.36463128
0.00056715 -0.00125732 0.00053760
0.01708048 -0.00129443 0.02781433
4.36618914 3.41104152 -0.85522670
-0.00050524 0.00031237 0.00083647
0.01023803 0.01679652 0.01423694
5.09450584 5.87646407 0.63291262
0.00097789 0.00044228 0.00140091
0.00537318 -0.01495828 -0.00305895
17.29175656 -3.60527712 -0.49064998
0.00116696 0.00031764 -0.00038719
0.00045596 -0.02104075 0.00775901
16.37294654 -6.48334746 -0.83026427
-0.00128437 0.00038747 -0.00087187
0.00422537 0.00979828 -0.00377557
-6.24434093 2.79692919 -1.80492357
0.00043322 -0.00028789 -0.00073722
-0.04115626 0.01625572 0.02428769
-5.10683771 1.16280250 -3.72594510
0.00059493 0.00065643 -0.00065815
-0.00173543 -0.02087442 -0.01310485
2.52066131 2.86201025 -11.29492798
0.00039387 -0.00010703 0.00015024
0.00163869 0.00236874 -0.00935764
0.15447638 1.63677306 -10.52973986
0.00132237 -0.00062033 0.00037971
-0.03164862 -0.03791455 0.04447869
17.07583653 8.04745431 -7.73744703
-0.00025914 0.00128318 0.00049010
-0.00827016 -0.01981384 -0.01241801
16.14561392 10.54164707 -7.05309335
-0.00071689 -0.00052598 0.00050207
-0.01460946 0.00318224 0.00509510
-6.77918419 0.42909756 11.00952436
-0.00104039 0.00056291 0.00012513
-0.00121226 0.01570981 0.02347769
-7.86376121 1.65382594 13.60336579
-0.00095130 -0.00064034 0.00128270
-0.02828541 0.00770953 0.00748917
-2.24318017 -16.75865244 13.95574804
0.00033363 0.00012111 0.00074700
0.01418834 -0.00388766 0.01788247
-4.60391934 -17.52774527 12.46813729
-0.00138698 -0.00028957 -0.00087500
-0.02004107 -0.03201145 -0.00625833
6.81844528 -6.31374543 -4.45683793
-0.00020283 0.00014714 -0.00077752
0.01523045 0.01103763 0.01554382
5.52072001 -7.90621058 -6.19933434
-0.00024498 0.00033088 -0.00006106
-0.00626958 -0.01175132 -0.01131344
-2.83002668 -11.47392766 2.23598189
-0.00003711 0.00016148 -0.00032793
0.01342661 -0.00349680 -0.00800020
-0.25413661 -10.15963265 2.38429074
-0.00009360 0.00067974 -0.00091189
-0.00553595 -0.00994457 -0.00640004
-14.63518691 -0.88912315 5.84434989
-0.00032497 -0.00001513 0.00064847
-0.02503589 -0.00976581 -0.00254866
-15.90951975 -1.90028503 3.43598447
0.00010277 -0.00012972 0.00101243
-0.00256833 0.00549250 0.01461249
-9.56077720 4.77357886 -23.36401890
0.00009565 -0.00063042 -0.00049850
0.00302204 -0.00967800 0.00745197
-8.97926988 4.48943315 -20.43643775
-0.00005749 -0.00093380 -0.00109458
-0.00272969 -0.00676347 -0.01746895
1.85070202 1.14847904 -3.15346588
0.00106970 -0.00034823 0.00059681
0.01071778 -0.00052258 0.01265155
0.59942933 0.36152966 -0.62244695
-0.00061209 -0.00046762 0.00096593
0.02694382 0.01748189 -0.00550849
14.06856635 9.48048990 3.56890237
0.00005544 -0.00083292 -0.00033645
-0.02462964 -0.00701316 0.00096225
11.27535397 9.06164456 2.45742535
-0.00067423 -0.00074698 -0.00065800
0.01941379 -0.00055482 0.01134709
5.42854180 -9.19194333 -10.57619616
-0.00007691 -0.00021282 0.00008184
-0.00101534 0.00572886 -0.00624900
-13.01652315 10.41514868 21.23087344
0.00005672 -0.00002980 0.00011572
0.00623571 0.00062913 -0.00175863
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06732570
0.32261991
429.87485475
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1857652785
ExchangeOperator: bisection time: 1.699 s
total exchange = -52.3623380500 (a.u.)
total exchange computation time: 3.3582508564 s
-154.1514068916
-931.38928880
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1857652785
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3623419866 (a.u.)
total exchange computation time: 3.3587582111 s
-154.1526977972
Anderson extrapolation: theta=1.3495075537 (1.3495075537)
-931.38952308
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1857652785
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3622785094 (a.u.)
total exchange computation time: 3.3562860489 s
-154.1548847463
Anderson extrapolation: theta=0.0527996687 (0.0527996687)
-931.38966259
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1857652785
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3622172390 (a.u.)
total exchange computation time: 3.3566989899 s
-154.1554262262
Anderson extrapolation: theta=1.9630811213 (1.9630811213)
-931.38966798
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1857652785
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3620768496 (a.u.)
total exchange computation time: 3.3581490517 s
-154.1565886365
Anderson extrapolation: theta=0.2290467965 (0.2290467965)
-931.38967395
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1857652785
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3620390906 (a.u.)
total exchange computation time: 3.3579189777 s
-154.1568458747
Anderson extrapolation: theta=1.8768212995 (1.8768212995)
-931.38967516
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1857652785
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3619841907 (a.u.)
total exchange computation time: 3.3581960201 s
-154.1571628223
Anderson extrapolation: theta=0.2911139166 (0.2911139166)
-931.38967665
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1857652785
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3619844295 (a.u.)
total exchange computation time: 3.3565709591 s
-154.1570975450
Anderson extrapolation: theta=1.3137453577 (1.3137453577)
-931.38967698
237.800834 31.613443 245.852363
-142.377230 489.988778 -805.544736
95.423604 521.602221 -559.692372
770.992926
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1857652785
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.3619962739 (a.u.)
total exchange computation time: 3.3568899632 s
678.63234652
-1083.17231576
89.82528285
-389.52356030
-174.78943422
78.00565762
551.60419304
0.00000000
-931.38967718
-8.77444286 -3.92718427 3.60247120
0.00003203 -0.00009824 0.00029164
-0.04848697 0.01950406 -0.01666563
-17.83869768 4.46903796 6.51583779
0.00008921 -0.00019432 -0.00005885
0.00516085 0.00234365 -0.00090573
-15.56551075 -0.90153034 0.48139544
0.00011187 0.00008541 -0.00024483
0.02192287 0.06329084 0.02266049
3.32097580 -20.66285102 15.59270907
-0.00047963 0.00021638 -0.00024351
-0.03802716 -0.00273145 -0.01184484
7.57803670 15.98301917 -1.34054020
0.00035413 0.00010377 -0.00002316
0.00789712 -0.02046311 0.01457698
-9.83088267 9.53486586 11.11108649
-0.00020021 -0.00020907 -0.00010714
-0.01953372 0.02172888 -0.01099932
-8.24575501 -0.50072119 -14.23956020
-0.00023594 0.00021742 -0.00016715
-0.02124364 -0.01873336 -0.02027933
-10.80714907 2.33196401 -7.05649004
0.00010637 0.00032996 0.00033332
-0.02268320 -0.02976719 -0.01218777
-0.27301187 -5.74345846 15.25167316
-0.00019467 0.00000539 0.00022229
-0.02370322 -0.00586722 -0.02333223
-25.58441422 -0.65514029 -20.73522839
-0.00044093 -0.00019345 0.00003952
-0.00438303 -0.02978683 -0.00384886
8.86038103 7.49990790 7.85930778
0.00004635 0.00004051 -0.00000817
0.01939944 0.01793372 -0.00931159
20.78339110 28.73288109 -4.99188380
0.00003389 -0.00017594 -0.00014989
-0.00077104 -0.02448427 0.01462007
7.75431024 -1.56157826 -7.22923110
-0.00018066 0.00012148 -0.00006269
-0.02255821 0.02495227 0.00147710
-9.31042970 -3.50975572 13.45934041
0.00025548 0.00018722 0.00026449
0.01898172 0.01337260 -0.02939826
-1.29200055 -22.75452959 13.92646113
0.00010534 0.00010470 0.00011973
0.00721886 0.00428606 0.00901578
-11.06806989 -8.64217606 -8.19591896
0.00017681 0.00021079 0.00014019
-0.00399046 -0.06406136 0.01907251
-15.90742602 -8.56159035 -15.50978967
0.00004955 0.00006462 0.00008784
-0.00239343 0.00701581 -0.00599802
16.68744562 12.68870390 3.58315240
0.00040336 0.00015409 0.00007131
0.00783751 0.01481464 -0.02294731
20.20050378 -4.60760229 -14.73366152
-0.00022136 -0.00007903 -0.00003732
0.02271234 0.03648299 -0.02063884
-0.47185174 8.15368317 -14.88703069
0.00030673 0.00006341 -0.00006837
-0.00374034 -0.01711936 -0.00134066
0.71728443 -0.71255458 -16.88584845
-0.00030498 0.00039495 -0.00026344
-0.03742416 0.00935011 0.00821857
11.79387921 20.99655969 -23.16693933
0.00043327 0.00003253 0.00004429
0.01275399 0.00216299 0.01119416
-11.27954673 15.24560887 -16.22165376
0.00002771 0.00008404 -0.00027896
-0.01994101 -0.01940864 -0.00006659
4.47639120 17.60029098 10.80024105
0.00045874 0.00000113 -0.00034354
0.00583068 -0.00104599 -0.00990817
-2.14129021 -11.09581398 -3.52463468
0.00006327 -0.00002849 0.00020127
-0.01888221 0.00659457 -0.02645679
1.22558688 -8.12254083 3.75374913
0.00013748 -0.00013410 0.00018251
0.04885851 -0.00088577 0.01957835
9.61442042 1.95139180 8.21691735
-0.00002694 0.00023660 0.00021098
-0.01310477 0.00772902 -0.00553979
-6.94343466 -9.30453883 -3.04870216
-0.00009643 0.00040208 -0.00021553
0.01899594 0.00419349 0.01269394
3.89534959 -12.38964010 -13.02541642
-0.00005638 0.00032073 -0.00019574
0.01166724 -0.00635889 0.00707330
1.19661554 -4.56827840 -0.94274673
0.00016575 0.00016860 0.00009380
0.00891075 -0.02978063 0.01454618
17.02174668 4.50083495 27.14822766
0.00035916 0.00008840 -0.00024418
-0.00631566 -0.03755634 0.03066158
-9.63291645 6.07212821 -4.44277190
-0.00012847 -0.00011250 0.00017813
-0.00058226 0.02045546 0.01151337
-4.91416706 14.93230142 -9.23639282
0.00035239 0.00002037 -0.00021983
-0.00980049 -0.00019309 -0.00706239
3.01573408 12.18577757 -6.86177274
-0.00021977 0.00002869 -0.00004746
-0.01640078 0.00522133 0.00267194
-4.18059364 11.89573212 -13.76125826
0.00019399 0.00007920 0.00005380
-0.03762807 0.02872949 0.01522612
3.86152133 7.24635601 17.35976809
0.00000814 0.00015583 -0.00015370
-0.01164632 0.00688835 0.01522008
-15.34762459 8.71847739 -9.07512421
-0.00033560 -0.00017974 -0.00007168
0.04977394 0.00995409 -0.02819763
3.73369226 9.22790670 0.51682407
-0.00000763 -0.00005130 0.00017287
0.03012563 0.02907261 0.00038627
15.84036938 -24.03192694 -26.66575779
0.00011130 -0.00006194 -0.00011974
-0.02765699 -0.00224147 -0.01902904
5.74512137 4.17685278 0.16758479
-0.00020758 -0.00014604 0.00016426
-0.01369513 0.01271591 -0.00209149
17.18245049 -5.28405357 0.32487930
0.00034215 0.00003195 -0.00016726
-0.00754842 0.00316595 -0.01435063
-4.69592414 2.45338930 -2.53285092
-0.00041153 -0.00016572 0.00045730
0.06348527 0.01219637 -0.01227185
0.84591917 2.44354961 -11.88667091
-0.00031176 0.00026262 -0.00018011
0.03273870 0.03243800 -0.04350435
15.43118129 8.88058065 -7.39674433
-0.00012385 -0.00023918 0.00025488
0.02195550 0.02315111 0.01103962
-6.39865467 0.98201798 12.79056311
-0.00019265 0.00009763 0.00004458
0.02360288 -0.01023564 -0.03318566
-3.52621416 -16.18446268 12.85633883
-0.00009864 -0.00001487 0.00025423
0.00491546 0.02292227 -0.02474188
7.06062838 -6.89198486 -6.17994571
0.00003051 0.00036001 -0.00036776
-0.01500268 0.00184566 -0.00250604
-1.11419257 -11.59134344 1.46897777
0.00004344 -0.00020664 -0.00041279
-0.01417636 0.00743882 0.01278070
-16.20111720 -1.77881699 5.31241392
0.00047067 0.00001499 0.00035560
0.02157531 0.00564948 -0.00050319
-9.14950308 3.52372156 -22.03880225
-0.00023873 -0.00019070 -0.00028150
0.00367610 0.01775206 0.01019278
2.14069757 1.20360373 -1.31495828
-0.00032336 -0.00021794 -0.00028526
-0.04600711 -0.02269072 -0.00318996
12.48024327 8.52230801 3.81283180
0.00029193 -0.00012266 -0.00008274
-0.00393527 0.00780940 -0.01933293
-7.44857336 -4.22590626 2.49045873
0.00052572 -0.00088163 0.00094208
0.05731383 -0.01252673 -0.02186530
-10.00373022 -3.68162941 2.16253421
-0.00036515 -0.00108382 0.00004254
0.00571973 0.00901945 0.02805879
-16.63369165 5.81907867 6.95876921
-0.00001879 -0.00109643 -0.00051424
-0.00334819 -0.01262808 -0.01030219
-17.20551960 3.54460692 5.04794683
0.00001191 -0.00021304 -0.00085805
0.00084210 0.01279134 0.00938704
-16.38403256 0.86265706 0.49046415
-0.00010706 0.00006483 0.00001296
0.03515051 -0.02432705 0.00980061
-16.92534505 -1.66500097 -0.23800989
0.00038655 -0.00049930 -0.00039524
-0.05082522 -0.04603287 -0.03659171
1.56371912 -20.90706306 14.90377813
-0.00029491 -0.00087113 -0.00008160
0.02212742 -0.01205186 0.01012005
3.31030337 -18.86528479 15.80820175
0.00010881 0.00001950 0.00072311
0.01454696 0.01397757 0.00623672
8.22659055 14.20240877 -1.20978534
-0.00050724 -0.00011274 0.00015759
-0.00419284 0.01273405 -0.00493985
7.35195887 16.39126653 0.42381389
-0.00078782 -0.00018567 0.00070902
-0.00286293 0.00562327 -0.00473608
-8.50889398 9.52112179 12.38361206
-0.00051553 0.00066044 -0.00001766
0.00495386 -0.01432707 0.00744465
-10.65837628 11.15122948 11.54708210
0.00008569 -0.00093117 -0.00031509
0.00477653 -0.01370592 -0.00190162
-10.00218813 0.26005432 -14.58086975
-0.00051135 0.00068300 -0.00008903
0.03176785 -0.01408734 0.01333498
-8.15752741 -2.07816249 -15.30490169
0.00049645 -0.00017072 -0.00092061
-0.00506669 0.03401275 0.01283859
-12.23829237 1.08925445 -7.02923344
-0.00003597 -0.00016108 0.00028102
0.02348268 0.01811015 0.00344227
-11.03714762 3.64286675 -5.78476548
-0.00093412 -0.00053908 -0.00035758
0.00500862 -0.00099865 -0.00349668
-1.99648282 -6.25624654 14.62433912
-0.00001723 -0.00055912 0.00026175
0.02043379 0.00599893 0.00551049
-0.39286695 -5.64275751 17.03929997
-0.00022276 0.00016559 0.00095788
0.00016554 -0.00229707 0.02133286
-24.89822470 -0.50756411 -19.08855068
0.00062193 0.00036139 0.00037959
0.01396900 0.00526086 0.01325879
-25.59328108 0.89604238 -21.60505750
0.00002633 -0.00055923 -0.00054325
-0.00246755 0.02673000 -0.01663976
9.52482918 8.68165230 6.55831019
-0.00003617 -0.00089985 -0.00050524
-0.00490013 -0.02169880 0.00919397
10.09206248 7.88162598 9.21698172
-0.00020838 0.00022536 0.00014908
-0.00765140 -0.00619844 -0.00550363
19.77628082 27.50252507 -4.00441514
0.00029865 0.00038980 0.00015835
0.00872342 0.00723050 -0.00639813
20.21362380 30.41426159 -4.39991391
0.00062067 -0.00058823 -0.00066952
0.00056059 0.00741732 -0.00225078
6.06409796 -0.76740477 -6.99762903
0.00043567 -0.00114076 -0.00065042
0.02155760 -0.00113102 -0.00439649
7.33521416 -3.30894972 -7.17105831
0.00072705 -0.00024191 0.00023496
-0.00085329 -0.02296887 0.00135519
-8.79834113 -2.19168223 12.23736217
-0.00035817 -0.00046314 0.00075803
0.01140398 -0.01443028 0.01044181
-11.05121416 -3.12328116 13.32211763
0.00021279 -0.00074022 -0.00035230
-0.03160483 -0.00223383 0.01391184
-1.27202667 -24.22494077 15.03207519
0.00069295 -0.00023413 0.00051766
0.00201425 -0.00210025 -0.00876609
-3.00204756 -22.12748237 13.89709695
-0.00017187 0.00009344 0.00113356
-0.01251423 -0.00038057 -0.00122879
-12.40939358 -8.07221201 -7.08904057
-0.00093905 -0.00087493 -0.00020168
-0.01219198 0.01212525 0.00189973
-10.36198778 -7.37808233 -9.12531230
-0.00054805 -0.00074963 0.00173541
0.01870837 0.05433702 -0.02197129
-16.21371440 -10.29392716 -15.92380629
-0.00008317 -0.00093978 -0.00059643
0.00024034 -0.01219510 0.00728416
-14.22950030 -8.15106354 -16.20031746
0.00008838 -0.00007208 -0.00012108
-0.00237470 0.00435774 0.00121513
17.16333214 12.81973873 5.34240470
0.00077853 0.00048605 0.00006258
-0.00042853 -0.00100432 0.00810927
17.32036118 14.23294287 2.72452486
-0.00046561 0.00041811 0.00022608
-0.00955124 -0.01501671 0.01108823
18.44342073 -4.28287235 -15.03650303
-0.00009695 -0.00030232 0.00005219
-0.00329904 -0.00128390 0.00043031
21.08027307 -2.97283617 -15.42934110
-0.00110885 0.00067147 -0.00010369
-0.01382094 -0.04057203 0.01483924
-1.27144340 7.13552235 -13.53495973
0.00142615 -0.00093191 0.00000787
0.01251743 0.00190470 -0.02000589
0.09235818 7.01754781 -16.27386775
-0.00038639 0.00021035 -0.00096262
-0.01310207 0.01045047 0.02316756
0.80345383 0.54148603 -15.55906235
-0.00024785 0.00010651 -0.00015810
0.00089287 0.00541284 0.00593401
2.42410748 -1.01281181 -17.28490860
0.00055076 -0.00012622 0.00031616
0.03399481 -0.00901491 -0.00367107
12.21517919 22.60576685 -22.32878339
0.00057892 -0.00181020 -0.00027860
0.00529691 -0.00230377 -0.00668140
9.99083233 21.14955798 -23.17359526
-0.00021422 -0.00055488 -0.00046803
-0.01760451 -0.00760344 -0.00580240
-9.91644029 16.07888079 -17.11424322
-0.00059517 -0.00051968 -0.00016251
0.00513989 0.00731108 -0.01412545
-10.81220725 15.34896149 -14.51589661
-0.00010256 0.00087737 -0.00079548
0.00320386 -0.00133342 0.02550002
3.12089957 18.65592091 11.40251563
-0.00034414 0.00122579 0.00032921
-0.00074688 -0.00153515 -0.00304820
4.86681769 18.13545023 9.07245550
-0.00035517 0.00094168 -0.00061505
-0.00508931 -0.00163833 0.00976678
-3.90304549 -10.41956368 -3.31013231
-0.00161063 0.00023764 -0.00055496
0.02548491 -0.00828119 0.00746738
-1.31215735 -11.44114792 -1.94221071
-0.00011835 -0.00021144 -0.00086928
-0.00820874 0.00834158 0.02182724
0.14337629 -7.21215874 4.88623573
0.00010784 -0.00088959 0.00040548
-0.00710106 0.01015253 0.01087116
2.86893650 -8.41588401 4.74696610
-0.00049921 -0.00020419 0.00084852
-0.03270863 0.01090427 -0.01962073
8.03252015 1.93429508 9.16873222
-0.00089846 -0.00031729 -0.00106293
0.01273109 0.00122676 -0.00628358
9.71184891 3.65214127 7.47666952
0.00033086 0.00113379 0.00037863
-0.00376835 -0.00377990 0.00777647
-7.92321261 -8.69044995 -4.42644987
0.00036708 0.00057058 0.00042358
-0.01510447 0.00138182 -0.00616998
-7.98451955 -10.21590722 -1.86851270
0.00036615 -0.00048210 0.00067224
-0.01252616 -0.00165445 -0.00392697
4.81839526 -13.61464085 -11.96845721
-0.00076759 0.00046040 -0.00054919
-0.00636699 0.01017360 -0.00991032
2.43435620 -13.18766574 -13.77110440
0.00019862 -0.00008564 -0.00023014
-0.00995956 -0.00438596 0.00098773
1.34182470 -6.09341082 0.19925214
-0.00013649 -0.00004290 0.00075341
-0.00515107 0.03174832 -0.01890571
-0.19132321 -3.61023639 -0.27140034
-0.00035636 -0.00030217 0.00003127
-0.00615061 -0.00315661 0.00540727
17.49082966 3.38551742 25.77071321
-0.00018055 -0.00019207 0.00009069
-0.00276678 0.00501475 0.00411647
16.59031302 3.23510281 28.54539204
0.00042536 0.00053307 -0.00017183
0.00706977 0.03037521 -0.03402007
-10.89819928 7.27278270 -3.82173136
-0.00057279 0.00002247 0.00130544
0.00792632 0.00130954 -0.00430396
-8.35228107 7.05693632 -5.44775510
0.00106351 -0.00065535 0.00029340
-0.01739170 -0.00450508 0.01095430
-6.41123736 16.00276992 -9.15117071
0.00012702 -0.00040040 0.00006690
0.00815575 -0.00146042 0.00122236
-4.82092249 14.32945135 -10.99104311
-0.00001692 0.00036912 -0.00034014
0.00594357 0.00126176 0.01020602
2.77292086 10.77098339 -5.70361878
-0.00021011 0.00117620 0.00014147
0.00381771 0.00391256 -0.00749602
1.39804076 13.10760841 -6.94736693
0.00040253 -0.00030687 -0.00027080
0.01119471 -0.00132670 0.00412714
-2.70381815 11.07238224 -14.20539245
0.00031394 0.00072447 0.00002255
0.04746722 -0.02302211 -0.01331632
-5.27280195 10.53962065 -13.29069004
0.00019180 0.00066480 0.00049877
-0.01247974 -0.00700670 0.00237358
4.38023619 7.79940806 19.08996561
0.00063562 -0.00071519 -0.00024124
-0.01051067 -0.00987334 -0.01959709
1.98521824 7.00535313 17.40560043
0.00041251 -0.00053912 0.00068320
0.01391205 0.00045407 0.00540483
-13.41920913 8.72804082 -8.93273671
-0.00052427 -0.00016368 -0.00068104
-0.05040448 -0.00738695 0.00950156
-16.33232914 8.40785683 -7.59650390
-0.00016386 0.00035944 0.00043442
0.00653447 -0.00750440 0.02372664
5.25402729 10.45902193 0.37590080
-0.00110489 0.00028591 0.00099880
-0.03691460 -0.03102921 0.00555526
2.24620883 10.00448569 1.32552809
0.00112456 0.00137833 -0.00132509
0.01408729 -0.01012220 -0.01068127
14.32343121 -23.80796284 -25.58522929
-0.00005405 0.00026050 -0.00011823
0.00692272 -0.00297904 -0.00151463
14.98705343 -24.15903441 -28.35571495
0.00063302 -0.00126231 0.00064313
0.01516340 -0.00114683 0.02384482
4.35892421 3.41624171 -0.84224335
-0.00046758 0.00037976 0.00089206
0.00819838 0.01619314 0.01297145
5.10933891 5.88263998 0.65383260
0.00100006 0.00037534 0.00138545
0.00547846 -0.01780936 -0.00450869
17.30927493 -3.60115732 -0.49622001
0.00116749 0.00022791 -0.00035268
-0.00019526 -0.02288246 0.00912993
16.35381042 -6.47723513 -0.84345800
-0.00126057 0.00043475 -0.00087885
0.00742611 0.01334446 0.00035717
-6.23910379 2.79310889 -1.81523758
0.00024315 -0.00021726 -0.00062870
-0.05188240 0.01832192 0.02883076
-5.09796695 1.17200922 -3.73621885
0.00058735 0.00057166 -0.00071109
-0.00197303 -0.02061730 -0.01281137
2.52661960 2.86047735 -11.29296117
0.00039196 -0.00009845 0.00010728
-0.00257608 0.00183373 -0.01166812
0.17334213 1.62630623 -10.52268125
0.00119451 -0.00077308 0.00055570
-0.03094085 -0.03685390 0.04166827
17.07169606 8.06609482 -7.73047607
-0.00028430 0.00119539 0.00043685
-0.00404810 -0.02316015 -0.01364888
16.13441293 10.53385491 -7.04540615
-0.00077536 -0.00050603 0.00052469
-0.01401073 0.00658438 0.00597450
-6.79482721 0.43802263 11.01212078
-0.00104459 0.00062588 0.00021991
-0.00084040 0.01511348 0.02291533
-7.87889743 1.64445711 13.62283583
-0.00105470 -0.00061379 0.00130711
-0.02233190 0.00528412 0.00445838
-2.23774094 -16.75695496 13.96750099
0.00038227 0.00010636 0.00081294
0.00962015 -0.00333216 0.01439813
-4.62533813 -17.53306973 12.45482059
-0.00145190 -0.00040268 -0.00089352
-0.01173977 -0.02335638 -0.00280895
6.81586948 -6.31120006 -4.46802446
-0.00014043 0.00019443 -0.00070798
0.01531447 0.01210922 0.01849781
5.51685317 -7.90160747 -6.20059696
-0.00026787 0.00028455 -0.00010812
-0.00493391 -0.01092801 -0.01171975
-2.83017186 -11.47161264 2.23081773
0.00001895 0.00014713 -0.00036129
0.01401448 -0.00352853 -0.00832621
-0.25571028 -10.14974122 2.37041628
-0.00011805 0.00063447 -0.00093955
-0.00643184 -0.01221792 -0.00713955
-14.64082868 -0.88964932 5.85399886
-0.00042005 -0.00005133 0.00063951
-0.02150435 -0.00795523 -0.00183788
-15.90805683 -1.90206248 3.45161872
0.00009406 -0.00010782 0.00106450
-0.00169585 0.00522458 0.01087275
-9.55924985 4.76382593 -23.37126805
0.00010753 -0.00066754 -0.00046988
0.00279245 -0.00848795 0.00655956
-8.98021586 4.47521889 -20.45339168
-0.00006752 -0.00095373 -0.00115407
-0.00218077 -0.00299026 -0.01165626
1.86707593 1.14323953 -3.14412602
0.00110827 -0.00035202 0.00063422
0.00816522 -0.00133125 0.00566005
0.59107359 0.35505113 -0.60812676
-0.00049461 -0.00039205 0.00093662
0.03056589 0.01950643 -0.00884146
14.06864328 9.46778127 3.56388510
-0.00003924 -0.00085718 -0.00033402
-0.02171828 -0.00486700 0.00022700
11.26583537 9.05042292 2.44790299
-0.00058747 -0.00075087 -0.00060504
0.02305543 -0.00135074 0.01458024
5.42738546 -9.19512029 -10.57498540
-0.00007726 -0.00021075 0.00007957
-0.00097092 0.00584965 -0.00643761
-13.01566145 10.41470277 21.23260611
0.00005818 -0.00002967 0.00011531
0.00635565 0.00051318 -0.00172875
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06732974
0.32234744
429.51180511
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1872796106
ExchangeOperator: bisection time: 1.692 s
total exchange = -52.3653368305 (a.u.)
total exchange computation time: 3.3111610413 s
-154.1591620963
-931.38856400
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1872796106
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3653206916 (a.u.)
total exchange computation time: 3.3110558987 s
-154.1605860276
Anderson extrapolation: theta=1.3472707315 (1.3472707315)
-931.38880028
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1872796106
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3652252934 (a.u.)
total exchange computation time: 3.3141880035 s
-154.1629494741
Anderson extrapolation: theta=0.0532817519 (0.0532817519)
-931.38894098
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1872796106
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3651575563 (a.u.)
total exchange computation time: 3.3129999638 s
-154.1635069364
Anderson extrapolation: theta=1.9766565191 (1.9766565191)
-931.38894658
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1872796106
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3649996423 (a.u.)
total exchange computation time: 3.3156058788 s
-154.1647218374
Anderson extrapolation: theta=0.2326527410 (0.2326527410)
-931.38895300
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1872796106
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3649541811 (a.u.)
total exchange computation time: 3.3122949600 s
-154.1650079906
Anderson extrapolation: theta=1.8761113098 (1.8761113098)
-931.38895437
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1872796106
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3648835204 (a.u.)
total exchange computation time: 3.3125278950 s
-154.1653869808
Anderson extrapolation: theta=0.2910850460 (0.2910850460)
-931.38895615
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1872796106
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3648785472 (a.u.)
total exchange computation time: 3.3125381470 s
-154.1653445869
Anderson extrapolation: theta=1.3068265109 (1.3068265109)
-931.38895658
237.721872 31.509501 245.882422
-142.400951 489.955874 -805.554671
95.320921 521.465375 -559.672249
770.873039
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1872796106
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3648838638 (a.u.)
total exchange computation time: 3.3116140366 s
678.67531391
-1083.26612588
89.82211479
-389.45944173
-174.79593414
78.05523418
551.60419304
0.00000000
-931.38895692
-8.77414951 -3.92858267 3.60678148
0.00000728 -0.00008833 0.00028246
-0.04774246 0.01902939 -0.01903173
-17.83733961 4.46613227 6.51495160
0.00009138 -0.00019474 -0.00006065
0.00328906 -0.00400560 -0.00610733
-15.56374807 -0.90000500 0.47781035
0.00012257 0.00011757 -0.00023340
0.01967092 0.06175870 0.02178755
3.31363471 -20.65961585 15.58901069
-0.00049862 0.00021456 -0.00024945
-0.03584648 -0.00432983 -0.01124468
7.58337906 15.98449682 -1.34083137
0.00035783 0.00009374 -0.00001424
0.00650174 -0.01853534 0.02012492
-9.83396112 9.53181356 11.10943694
-0.00020971 -0.00019892 -0.00011303
-0.01742512 0.01775524 -0.01190204
-8.24937600 -0.49753214 -14.24214565
-0.00024697 0.00020724 -0.00017810
-0.02166384 -0.02085187 -0.02229839
-10.80564103 2.33679858 -7.05153725
0.00009438 0.00031295 0.00032591
-0.02394894 -0.03637853 -0.01663089
-0.27602331 -5.74340017 15.25491753
-0.00020678 0.00000253 0.00021203
-0.02341239 -0.00526343 -0.01655276
-25.59104509 -0.65815698 -20.73465048
-0.00044245 -0.00020856 0.00003919
-0.00152800 -0.02894495 0.00257840
8.86115106 7.50058473 7.85914930
0.00005601 0.00004925 -0.00001269
0.01819531 0.01604299 -0.00827459
20.78389654 28.73014758 -4.99407582
0.00003420 -0.00018906 -0.00014291
0.00197942 -0.02653404 0.01254649
7.75151337 -1.55965986 -7.23016570
-0.00019065 0.00013298 -0.00006216
-0.01630657 0.01979990 0.00057679
-9.30652435 -3.50689581 13.46319442
0.00026470 0.00019293 0.00025047
0.01688437 0.00883681 -0.02514633
-1.29039260 -22.75294256 13.92829192
0.00010865 0.00010629 0.00012496
0.00563245 0.00189939 0.01130908
-11.06543317 -8.63926128 -8.19374260
0.00017219 0.00017413 0.00015305
-0.01395415 -0.07851123 0.03093677
-15.90669206 -8.56059398 -15.50849519
0.00004804 0.00006598 0.00008415
-0.00346860 -0.00174334 -0.00835658
16.69352627 12.69107242 3.58413350
0.00040733 0.00016160 0.00005994
0.00757763 0.01437479 -0.02124283
20.19727100 -4.60864699 -14.73430095
-0.00020940 -0.00005997 -0.00004802
0.02379935 0.03762288 -0.02094496
-0.46726517 8.15456832 -14.88806137
0.00030495 0.00005407 -0.00006939
-0.00320112 -0.01921982 -0.00261895
0.71256532 -0.70659429 -16.88976838
-0.00032233 0.00039927 -0.00025984
-0.03003662 0.00747497 0.00577746
11.80042744 20.99705593 -23.16623182
0.00043790 0.00003101 0.00004856
0.00526484 -0.00806139 0.00541518
-11.27920807 15.24679466 -16.22583839
0.00001614 0.00007329 -0.00027925
-0.02503634 -0.02239644 -0.00107993
4.48329475 17.60030391 10.79504978
0.00045954 0.00000265 -0.00034822
-0.00269399 0.00696901 -0.00831927
-2.14041407 -11.09621583 -3.52171773
0.00005086 -0.00002404 0.00018587
-0.02934882 0.01067930 -0.03342237
1.22783751 -8.12455573 3.75656237
0.00016251 -0.00013461 0.00019240
0.04849588 -0.00109446 0.01885514
9.61396580 1.95497063 8.22006069
-0.00003370 0.00024169 0.00020767
-0.01319517 0.01205860 -0.00731834
-6.94480778 -9.29849152 -3.05188618
-0.00008643 0.00040296 -0.00020686
0.01989320 -0.00074241 0.02103851
3.89454885 -12.38485368 -13.02832519
-0.00005101 0.00031802 -0.00019271
0.00922058 -0.00417911 0.00468039
1.19913610 -4.56586420 -0.94128358
0.00017007 0.00015288 0.00010191
0.00788659 -0.03135516 0.01698395
17.02710965 4.50201601 27.14468321
0.00035591 0.00006961 -0.00022840
-0.00630234 -0.03549002 0.03070111
-9.63484575 6.07051959 -4.44005555
-0.00012919 -0.00010120 0.00018432
-0.00220444 0.02349199 0.01256659
-4.90891906 14.93260615 -9.23971758
0.00034734 0.00002022 -0.00022343
-0.00981956 -0.00037769 -0.00691965
3.01237427 12.18622811 -6.86247437
-0.00022697 0.00003188 -0.00004685
-0.01160969 0.00718495 -0.00030372
-4.17782890 11.89703087 -13.76039252
0.00017484 0.00009472 0.00006151
-0.03685701 0.03162411 0.01474471
3.86159853 7.24872008 17.35752137
0.00000259 0.00015922 -0.00014600
-0.00994836 0.00628517 0.01470404
-15.35246661 8.71581967 -9.07630823
-0.00031077 -0.00017471 -0.00008581
0.04677093 0.00960764 -0.02673906
3.73369407 9.22724934 0.51941867
0.00000854 -0.00003690 0.00017268
0.03272907 0.02694017 -0.00114921
15.84193227 -24.03286467 -26.66762734
0.00009749 -0.00006306 -0.00012821
-0.02606045 -0.00213792 -0.01388542
5.74195486 4.17471128 0.17004066
-0.00021411 -0.00013867 0.00016391
-0.01170987 0.01594936 0.00072253
17.18755356 -5.28356209 0.32231511
0.00033755 0.00003304 -0.00017579
-0.01031525 0.00106640 -0.01884958
-4.70185227 2.45095052 -2.52603872
-0.00037661 -0.00016012 0.00044986
0.07232530 0.00960495 -0.01666505
0.84136909 2.44761410 -11.88954037
-0.00029447 0.00027873 -0.00020058
0.03447194 0.03020396 -0.03608897
15.42940828 8.87708231 -7.39287859
-0.00011383 -0.00022734 0.00026061
0.01699719 0.02287811 0.01124626
-6.40145343 0.98344301 12.79110379
-0.00018222 0.00009326 0.00002870
0.01695138 -0.00676121 -0.02856662
-3.52767476 -16.18459728 12.86005690
-0.00009704 -0.00000549 0.00024152
0.00128920 0.01354462 -0.02471622
7.06102813 -6.88657762 -6.18547182
0.00002234 0.00036040 -0.00036957
-0.01677798 -0.00033084 -0.00451905
-1.11359565 -11.59441430 1.46283526
0.00003631 -0.00020234 -0.00040591
-0.01356472 0.00928380 0.01397794
-16.19397400 -1.77857034 5.31774605
0.00048044 0.00001740 0.00035606
0.01645154 0.00371983 0.00227715
-9.15306984 3.52092954 -22.04298548
-0.00023691 -0.00018297 -0.00027767
0.00341576 0.01229793 0.00472991
2.13566974 1.20024708 -1.31924951
-0.00034701 -0.00022970 -0.00028417
-0.04596953 -0.02303836 0.00742670
12.48460709 8.52049824 3.81151618
0.00028817 -0.00011911 -0.00009314
-0.01070576 0.00599200 -0.02114010
-7.43893130 -4.23951455 2.50391984
0.00075511 -0.00093116 0.00085447
0.05497399 -0.01171691 -0.02101791
-10.00903218 -3.69761030 2.16403212
-0.00033743 -0.00104680 0.00015901
0.00784745 0.00909925 0.02895532
-16.63407606 5.80224525 6.95073987
-0.00002521 -0.00113884 -0.00055284
0.00020270 -0.00813402 -0.00859205
-17.20531514 3.54180336 5.03536372
0.00001199 -0.00015705 -0.00081301
-0.00080562 0.01461599 0.01265910
-16.38456140 0.86288406 0.49095891
0.00003608 -0.00003536 0.00005207
0.03491974 -0.02471747 0.00934512
-16.92110427 -1.67390102 -0.24505972
0.00018418 -0.00068375 -0.00054178
-0.04823370 -0.04425572 -0.03514402
1.55997349 -20.92049925 14.90286418
-0.00020609 -0.00091675 -0.00003997
0.02134926 -0.01028276 0.01026245
3.31238134 -18.86456402 15.81923947
0.00016554 0.00007641 0.00074730
0.01322280 0.01388388 0.00560493
8.21885342 14.20110783 -1.20757292
-0.00052324 -0.00006180 0.00013735
-0.00363725 0.01220239 -0.00496607
7.34005378 16.38865378 0.43430400
-0.00079770 -0.00016547 0.00067801
-0.00197088 0.00426346 -0.01044293
-8.51647514 9.53058942 12.38357536
-0.00049325 0.00060008 0.00001360
0.00595150 -0.01522292 0.00785611
-10.65694452 11.13684188 11.54229749
0.00009917 -0.00097682 -0.00032171
0.00181848 -0.00863835 -0.00134094
-10.00888486 0.26986758 -14.58179654
-0.00037883 0.00062271 -0.00003497
0.03309737 -0.01542157 0.01312716
-8.15023596 -2.07968101 -15.31831736
0.00047345 -0.00002471 -0.00086371
-0.00618806 0.03745913 0.01500997
-12.23811230 1.08739313 -7.02491266
0.00006308 -0.00008498 0.00029415
0.02500024 0.01914354 0.00298583
-11.05100599 3.63474992 -5.79023635
-0.00091437 -0.00053281 -0.00036226
0.00465883 0.00406905 0.00120509
-1.99611515 -6.26444953 14.62843424
0.00006522 -0.00053427 0.00028419
0.01992545 0.00616793 0.00547153
-0.39620325 -5.64034401 17.05432193
-0.00022142 0.00015512 0.00103135
0.00049023 -0.00282797 0.01463017
-24.88846775 -0.50198198 -19.08245048
0.00067390 0.00038170 0.00042075
0.01147284 0.00467938 0.00688709
-25.59296173 0.88847297 -21.61371614
0.00001609 -0.00045010 -0.00061125
-0.00254454 0.02669252 -0.01664823
9.52413654 8.66748967 6.55101326
-0.00005397 -0.00098533 -0.00046946
-0.00381566 -0.02014567 0.00832141
10.08870238 7.88481639 9.21904923
-0.00023907 0.00020044 0.00012591
-0.00737190 -0.00599846 -0.00583927
19.78102794 27.50859363 -4.00223591
0.00033162 0.00041600 0.00013450
0.00741627 0.00559468 -0.00527665
20.22295107 30.40566538 -4.41002565
0.00062022 -0.00055041 -0.00067599
-0.00078198 0.01109772 -0.00091780
6.07129356 -0.78455088 -7.00752003
0.00050982 -0.00113804 -0.00066622
0.01473936 0.00246434 -0.00333730
7.34609383 -3.31328226 -7.16749232
0.00072477 -0.00033221 0.00024040
-0.00026682 -0.02123367 0.00130538
-8.80336417 -2.19907154 12.24905259
-0.00030652 -0.00051233 0.00079197
0.01387616 -0.00964653 0.00617314
-11.04899082 -3.13445285 13.31725949
0.00008306 -0.00075002 -0.00029548
-0.03189968 -0.00256573 0.01389971
-1.26157062 -24.22851713 15.03957144
0.00070083 -0.00023733 0.00047728
0.00183922 0.00053699 -0.01100152
-3.00500906 -22.12609241 13.91406267
-0.00021912 0.00009079 0.00112782
-0.01061431 -0.00091824 -0.00158112
-12.42385297 -8.08496445 -7.09200754
-0.00098457 -0.00082652 -0.00019642
-0.01009041 0.01157092 0.00067516
-10.36963520 -7.38766173 -9.09995440
-0.00045507 -0.00049720 0.00162399
0.02680419 0.06923039 -0.03256804
-16.21495460 -10.30839753 -15.93252953
-0.00007903 -0.00097141 -0.00056214
0.00178666 -0.00328896 0.00950197
-14.22824742 -8.15201122 -16.20209639
0.00007782 -0.00005449 -0.00011565
-0.00279403 0.00425407 0.00144352
17.17499702 12.82699870 5.34359188
0.00077567 0.00048108 0.00009389
-0.00097399 -0.00142659 0.00721874
17.31308428 14.23875435 2.72825588
-0.00050325 0.00035837 0.00026940
-0.00887316 -0.01422474 0.01011436
18.44186535 -4.28744648 -15.03570699
-0.00011377 -0.00030790 0.00005396
-0.00493136 -0.00144608 0.00043529
21.06321687 -2.96400736 -15.43044169
-0.00116396 0.00050348 -0.00004233
-0.01315760 -0.04165942 0.01519443
-1.24966761 7.12160203 -13.53545475
0.00147654 -0.00092249 -0.00007411
0.01214855 0.00270730 -0.02012124
0.08616089 7.02102322 -16.28759714
-0.00044048 0.00025596 -0.00086514
-0.01337442 0.01187824 0.02455159
0.79976345 0.54324951 -15.56125206
-0.00024439 0.00013012 -0.00013244
0.00079871 0.00614590 0.00663077
2.43341052 -1.01498128 -17.28027863
0.00067476 -0.00016062 0.00030477
0.02670533 -0.00782439 -0.00190725
12.22402537 22.57854320 -22.33316708
0.00060424 -0.00179990 -0.00029541
0.00709616 0.00734691 -0.00154927
9.98707961 21.14100175 -23.18079346
-0.00027514 -0.00058515 -0.00049066
-0.01221504 -0.00721341 -0.00527516
-9.92521030 16.07130970 -17.11711369
-0.00056603 -0.00048513 -0.00022547
0.00912433 0.00959849 -0.01669384
-10.81364754 15.36208116 -14.52704744
-0.00008773 0.00087267 -0.00068309
0.00405602 -0.00096598 0.02951702
3.11571460 18.67426079 11.40736043
-0.00032989 0.00120534 0.00030973
0.00772121 -0.00847974 -0.00649138
4.86133425 18.14952529 9.06352906
-0.00037583 0.00093268 -0.00057128
-0.00502816 -0.00276741 0.01165969
-3.92642395 -10.41625285 -3.31822790
-0.00149094 0.00019835 -0.00052432
0.03310458 -0.01095014 0.00753147
-1.31418419 -11.44406385 -1.95458101
-0.00014673 -0.00017982 -0.00076678
-0.00568234 0.00713570 0.02834677
0.14477626 -7.22519143 4.89265108
0.00007589 -0.00084631 0.00045096
-0.00853704 0.01103233 0.01138856
2.86044613 -8.41861266 4.75909273
-0.00062926 -0.00016075 0.00076836
-0.03095291 0.01035944 -0.01962224
8.01943334 1.92957325 9.15259565
-0.00084543 -0.00031161 -0.00108884
0.01322963 0.00155574 -0.00639728
9.71669631 3.66903226 7.48258724
0.00031439 0.00110924 0.00041450
-0.00429192 -0.00823452 0.00978289
-7.91816930 -8.68184894 -4.42028525
0.00029785 0.00057941 0.00039006
-0.01878469 0.00294204 -0.01023766
-7.97941114 -10.22318945 -1.85854945
0.00032085 -0.00048234 0.00064731
-0.00965003 0.00153841 -0.00827506
4.80668626 -13.60742314 -11.97699880
-0.00078823 0.00049628 -0.00058429
-0.00373323 0.00738962 -0.00726768
2.43703026 -13.18908478 -13.77452623
0.00015727 -0.00010268 -0.00022697
-0.01027836 -0.00395421 0.00056300
1.33961950 -6.09308149 0.20997398
-0.00015710 0.00009028 0.00067257
-0.00493960 0.03344732 -0.02066726
-0.19685706 -3.61486562 -0.27076560
-0.00037987 -0.00031545 0.00005202
-0.00535669 -0.00334464 0.00475204
17.48803661 3.38279007 25.77219972
-0.00019093 -0.00017347 0.00010436
-0.00231324 0.00408670 0.00257706
16.59691007 3.24402961 28.54177207
0.00045325 0.00065477 -0.00030782
0.00658371 0.02919873 -0.03254568
-10.90654827 7.27315989 -3.80228170
-0.00053169 0.00002264 0.00128290
0.01219370 -0.00122756 -0.00672656
-8.33686131 7.04696796 -5.44301846
0.00098673 -0.00067408 0.00034118
-0.02019486 -0.00466059 0.01243427
-6.40908216 15.99671917 -9.15012975
0.00015964 -0.00040545 0.00007213
0.00781073 -0.00101099 0.00133927
-4.82099413 14.33502687 -10.99583247
0.00000797 0.00037373 -0.00029889
0.00624142 0.00099117 0.00998642
2.76988617 10.78874625 -5.70172644
-0.00019580 0.00118308 0.00011790
0.00318979 -0.00054538 -0.00403953
1.40442180 13.10296469 -6.95130251
0.00043965 -0.00030708 -0.00025455
0.00697413 0.00122557 0.00382922
-2.69765447 11.08254385 -14.20546226
0.00050796 0.00062867 -0.00003154
0.04750466 -0.02387593 -0.01316204
-5.27030742 10.54937801 -13.28313572
0.00013933 0.00063172 0.00050920
-0.01320447 -0.00918847 0.00273297
4.38944837 7.78837770 19.08574656
0.00059351 -0.00075438 -0.00031940
-0.01010258 -0.00931132 -0.01866754
1.99183220 6.99728030 17.41601403
0.00046586 -0.00053695 0.00070432
0.01220054 0.00060834 0.00493254
-13.42861779 8.72535930 -8.94266115
-0.00072654 -0.00019391 -0.00064093
-0.04860759 -0.00741029 0.01013420
-16.33458681 8.41301844 -7.58926051
-0.00013465 0.00032939 0.00052731
0.00776354 -0.00720346 0.02174308
5.23632273 10.46235978 0.39105299
-0.00124844 0.00016113 0.00101870
-0.03335337 -0.03005283 0.00418569
2.26350885 10.02485049 1.30532448
0.00116934 0.00133960 -0.00136222
0.00783302 -0.00883906 -0.00749655
14.32283265 -23.80414663 -25.58704914
-0.00002400 0.00024820 -0.00012516
0.00778278 -0.00304075 -0.00187619
14.99701342 -24.17800422 -28.34533726
0.00069026 -0.00126700 0.00073080
0.01285358 -0.00114717 0.01906802
4.35216173 3.42243431 -0.82846503
-0.00043901 0.00044407 0.00094197
0.00578566 0.01528751 0.01145993
5.12450773 5.88772441 0.67447626
0.00102240 0.00029756 0.00136428
0.00545565 -0.02026901 -0.00585404
17.32678133 -3.59843989 -0.50123050
0.00116546 0.00013193 -0.00031318
-0.00080110 -0.02409897 0.01020938
16.33512943 -6.47030497 -0.85662984
-0.00122400 0.00049556 -0.00086956
0.01047516 0.01642500 0.00419258
-6.23704633 2.79041147 -1.82378466
0.00001340 -0.00013920 -0.00050395
-0.06058223 0.01988797 0.03223822
-5.08921711 1.17995238 -3.74727776
0.00057908 0.00048944 -0.00076134
-0.00207449 -0.01963179 -0.01178687
2.53242000 2.85905683 -11.29170946
0.00037354 -0.00009183 0.00005538
-0.00643888 0.00140375 -0.01373704
0.19031163 1.61358076 -10.51306895
0.00107207 -0.00091814 0.00071492
-0.02899263 -0.03415642 0.03627007
17.06730749 8.08331593 -7.72434159
-0.00029206 0.00109438 0.00037861
0.00025058 -0.02628515 -0.01486009
16.12235327 10.52646629 -7.03735279
-0.00083119 -0.00047213 0.00055091
-0.01331871 0.01000754 0.00686363
-6.81052175 0.44787394 11.01612158
-0.00104742 0.00068601 0.00031118
-0.00054476 0.01431962 0.02176389
-7.89540229 1.63541213 13.64257910
-0.00113297 -0.00059721 0.00131859
-0.01597988 0.00283549 0.00116227
-2.23171212 -16.75546170 13.98013635
0.00041169 0.00009424 0.00086413
0.00478168 -0.00259728 0.01065670
-4.64747639 -17.53982561 12.44133174
-0.00148262 -0.00048045 -0.00089760
-0.00329737 -0.01471260 0.00081227
6.81423225 -6.30791257 -4.47807733
-0.00007779 0.00024556 -0.00062742
0.01535129 0.01292086 0.02093459
5.51268395 -7.89767409 -6.20257784
-0.00028491 0.00024196 -0.00015657
-0.00340919 -0.00992195 -0.01199706
-2.82945815 -11.46951388 2.22514330
0.00007652 0.00013267 -0.00039560
0.01416592 -0.00354808 -0.00847214
-0.25767813 -10.14059858 2.35610426
-0.00014581 0.00058039 -0.00096991
-0.00715612 -0.01425207 -0.00772260
-14.64778837 -0.89066303 5.86353521
-0.00049938 -0.00007933 0.00063400
-0.01732839 -0.00575290 -0.00085815
-15.90669785 -1.90351972 3.46791933
0.00008904 -0.00008715 0.00110036
-0.00076297 0.00489654 0.00668425
-9.55755136 4.75355281 -23.37811520
0.00011829 -0.00069935 -0.00044536
0.00247422 -0.00708697 0.00544166
-8.98129548 4.46082138 -20.47105999
-0.00007514 -0.00095753 -0.00118839
-0.00154759 0.00112815 -0.00514257
1.88395025 1.13791844 -3.13443929
0.00113645 -0.00035922 0.00064177
0.00562688 -0.00219462 -0.00196467
0.58459111 0.34976808 -0.59434844
-0.00036425 -0.00030929 0.00089439
0.03324282 0.02100642 -0.01182836
14.06738918 9.45477435 3.55888175
-0.00012070 -0.00087207 -0.00033473
-0.01815669 -0.00242071 -0.00057348
11.25772974 9.03911850 2.43927419
-0.00048695 -0.00075755 -0.00053996
0.02615170 -0.00192029 0.01727401
5.42622390 -9.19826584 -10.57380920
-0.00007760 -0.00020863 0.00007722
-0.00090352 0.00597171 -0.00664447
-13.01477763 10.41425865 21.23433276
0.00005967 -0.00002957 0.00011491
0.00648144 0.00037226 -0.00173172
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06736186
0.32159506
428.50929116
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1867171444
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3689066132 (a.u.)
total exchange computation time: 3.4339361191 s
-154.1704986892
-931.38729854
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1867171444
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3688733105 (a.u.)
total exchange computation time: 3.4358901978 s
-154.1720999111
Anderson extrapolation: theta=1.3500240289 (1.3500240289)
-931.38754066
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1867171444
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3687658289 (a.u.)
total exchange computation time: 3.4348659515 s
-154.1746306880
Anderson extrapolation: theta=0.0552050450 (0.0552050450)
-931.38768555
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1867171444
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3687071258 (a.u.)
total exchange computation time: 3.4342679977 s
-154.1751374996
Anderson extrapolation: theta=2.0306215643 (2.0000000000)
-931.38769163
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1867171444
ExchangeOperator: bisection time: 1.698 s
total exchange = -52.3685726715 (a.u.)
total exchange computation time: 3.4358160496 s
-154.1762198752
Anderson extrapolation: theta=0.2500137169 (0.2500137169)
-931.38769877
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1867171444
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3685366871 (a.u.)
total exchange computation time: 3.4359469414 s
-154.1764533199
Anderson extrapolation: theta=1.7110843350 (1.7110843350)
-931.38770033
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1867171444
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3684925044 (a.u.)
total exchange computation time: 3.4349901676 s
-154.1766775214
Anderson extrapolation: theta=0.2985030974 (0.2985030974)
-931.38770217
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1867171444
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3684967278 (a.u.)
total exchange computation time: 3.4364039898 s
-154.1765802592
Anderson extrapolation: theta=1.2102143834 (1.2102143834)
-931.38770263
237.645280 31.401727 245.921156
-142.423692 489.921714 -805.562271
95.221588 521.323440 -559.641115
770.742147
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1867171444
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.3685141678 (a.u.)
total exchange computation time: 3.4334890842 s
678.73295149
-1083.38928063
89.81750554
-389.37547215
-174.80489307
78.12058131
551.60419304
0.00000000
-931.38770299
-8.77422447 -3.92983427 3.61094493
-0.00001650 -0.00007880 0.00027186
-0.04472460 0.01803590 -0.02217837
-17.83595615 4.46319567 6.51401831
0.00009247 -0.00019842 -0.00006502
0.00093162 -0.01028439 -0.01089788
-15.56183365 -0.89800322 0.47439335
0.00013153 0.00014831 -0.00022280
0.01517855 0.05778486 0.01943491
3.30601707 -20.65641408 15.58522556
-0.00051634 0.00021209 -0.00025500
-0.03303624 -0.00530763 -0.01033254
7.58877157 15.98583147 -1.34096728
0.00036078 0.00008475 -0.00000259
0.00498013 -0.01641934 0.02516167
-9.83717400 9.52889824 11.10769557
-0.00021798 -0.00019096 -0.00011936
-0.01474829 0.01321797 -0.01272669
-8.25316413 -0.49450397 -14.24490313
-0.00025807 0.00019612 -0.00018991
-0.02149557 -0.02238371 -0.02364221
-10.80431774 2.34135250 -7.04671277
0.00008194 0.00029268 0.00031620
-0.02441764 -0.04244688 -0.02111216
-0.27921537 -5.74338249 15.25803420
-0.00021862 0.00000003 0.00020538
-0.02261229 -0.00446203 -0.00933132
-25.59768775 -0.66139697 -20.73405267
-0.00044248 -0.00022292 0.00004203
0.00140146 -0.02692960 0.00845961
8.86206145 7.50138533 7.85892700
0.00006496 0.00005690 -0.00001663
0.01658482 0.01373114 -0.00703280
20.78441724 28.72720938 -4.99617104
0.00003597 -0.00020313 -0.00013703
0.00489670 -0.02819914 0.01030686
7.74859070 -1.55758872 -7.23109584
-0.00019722 0.00014156 -0.00006210
-0.00923325 0.01354764 -0.00034284
-9.30248873 -3.50396773 13.46685442
0.00027252 0.00019623 0.00023873
0.01351158 0.00397501 -0.02048415
-1.28874119 -22.75134088 13.93020995
0.00011105 0.00010674 0.00013133
0.00371550 -0.00014609 0.01344604
-11.06290411 -8.63695220 -8.19132758
0.00016269 0.00013058 0.00017159
-0.02298907 -0.09084766 0.04118366
-15.90598486 -8.55961106 -15.50726518
0.00004599 0.00006297 0.00007928
-0.00449784 -0.00996150 -0.01059527
16.69966537 12.69355185 3.58495072
0.00041113 0.00016877 0.00004958
0.00723374 0.01351416 -0.01905886
20.19422183 -4.60940145 -14.73510197
-0.00019702 -0.00004050 -0.00005880
0.02433302 0.03810754 -0.02100495
-0.46270330 8.15530518 -14.88911225
0.00030341 0.00004377 -0.00007094
-0.00276484 -0.02080368 -0.00340683
0.70761449 -0.70057633 -16.89364375
-0.00033569 0.00040263 -0.00025748
-0.02189988 0.00556635 0.00340153
11.80701628 20.99748997 -23.16548254
0.00043856 0.00002404 0.00004970
-0.00271600 -0.01905453 -0.00096833
-11.27906255 15.24780766 -16.23003135
0.00000210 0.00006106 -0.00027984
-0.02954343 -0.02516637 -0.00118858
4.49017751 17.60037061 10.78979433
0.00045618 0.00000811 -0.00035211
-0.01037326 0.01423833 -0.00680842
-2.13976435 -11.09653530 -3.51905863
0.00003345 -0.00001765 0.00016699
-0.03834898 0.01419366 -0.04000731
1.23046226 -8.12657908 3.75952107
0.00018705 -0.00013510 0.00020190
0.04693462 -0.00082246 0.01811206
9.61340938 1.95864249 8.22314757
-0.00004046 0.00024889 0.00020348
-0.01306865 0.01593446 -0.00897251
-6.94602743 -9.29244993 -3.05490791
-0.00007602 0.00040137 -0.00019405
0.02057185 -0.00545327 0.02876097
3.89381925 -12.38009951 -13.03119785
-0.00004703 0.00031648 -0.00019103
0.00626488 -0.00179956 0.00186238
1.20171751 -4.56369190 -0.93968941
0.00017378 0.00013659 0.00011115
0.00655338 -0.03201184 0.01895089
17.03242400 4.50292329 27.14137562
0.00035273 0.00005209 -0.00021280
-0.00607453 -0.03263308 0.02996399
-9.63679205 6.06909220 -4.43724226
-0.00013073 -0.00008849 0.00019109
-0.00379293 0.02593541 0.01373719
-4.90374681 14.93290797 -9.24309573
0.00034234 0.00001997 -0.00022689
-0.00964914 -0.00057725 -0.00651793
3.00892489 12.18673409 -6.86317834
-0.00023161 0.00003607 -0.00004782
-0.00643454 0.00910701 -0.00346534
-4.17534849 11.89857359 -13.75941303
0.00015656 0.00011136 0.00006882
-0.03423824 0.03308140 0.01370347
3.86159898 7.25113264 17.35538809
-0.00000209 0.00016229 -0.00013869
-0.00823575 0.00566537 0.01370938
-15.35694781 8.71323607 -9.07769853
-0.00028789 -0.00016989 -0.00009901
0.04221772 0.00913849 -0.02458762
3.73394838 9.22679983 0.52200440
0.00002588 -0.00002386 0.00017168
0.03470169 0.02374539 -0.00271832
15.84329411 -24.03381889 -26.66960401
0.00008465 -0.00006410 -0.00013387
-0.02388774 -0.00187890 -0.00812265
5.73869801 4.17269282 0.17250212
-0.00021950 -0.00012968 0.00016504
-0.00924281 0.01897612 0.00365712
17.19257705 -5.28306238 0.31960551
0.00033158 0.00003303 -0.00018647
-0.01292215 -0.00111289 -0.02268074
-4.70722243 2.44858583 -2.51935507
-0.00033790 -0.00015583 0.00044037
0.07821719 0.00705701 -0.02023177
0.83708495 2.45191161 -11.89268825
-0.00027664 0.00029330 -0.00021677
0.03488581 0.02643945 -0.02685952
15.42776641 8.87376047 -7.38892609
-0.00010636 -0.00021570 0.00026643
0.01206574 0.02238898 0.01139822
-6.40412141 0.98481589 12.79142409
-0.00017522 0.00009070 0.00001537
0.01027736 -0.00320719 -0.02324736
-3.52912540 -16.18462738 12.86358430
-0.00009723 -0.00000085 0.00022884
-0.00202376 0.00449147 -0.02456887
7.06129845 -6.88117293 -6.19103279
0.00001322 0.00035971 -0.00037228
-0.01866349 -0.00232944 -0.00601062
-1.11310339 -11.59741355 1.45680059
0.00002955 -0.00019716 -0.00039851
-0.01270966 0.01084568 0.01477018
-16.18670388 -1.77829498 5.32309575
0.00048743 0.00001873 0.00035798
0.01070464 0.00146063 0.00517228
-9.15661026 3.51823239 -22.04713223
-0.00023525 -0.00017818 -0.00027674
0.00302865 0.00634679 -0.00113921
2.13028728 1.19671269 -1.32348345
-0.00037043 -0.00024149 -0.00027762
-0.04510171 -0.02280619 0.01805642
12.48888833 8.51873469 3.81003748
0.00028091 -0.00011661 -0.00010432
-0.01751065 0.00371457 -0.02231159
-7.42592009 -4.25384092 2.51609284
0.00097095 -0.00097647 0.00077304
0.05068054 -0.01046690 -0.01884058
-10.01385320 -3.71303353 2.16730460
-0.00030170 -0.00100938 0.00027803
0.00964168 0.00921879 0.02930652
-16.63444804 5.78491333 6.94218396
-0.00001648 -0.00116221 -0.00058415
0.00406990 -0.00330477 -0.00673293
-17.20516005 3.53989555 5.02355643
0.00000569 -0.00009436 -0.00075552
-0.00227420 0.01607060 0.01548310
-16.38295014 0.86159621 0.49202638
0.00017730 -0.00013582 0.00008914
0.03420758 -0.02445820 0.00880025
-16.91981955 -1.68551333 -0.25426340
-0.00000208 -0.00085726 -0.00067929
-0.04294446 -0.04068130 -0.03216863
1.55753628 -20.93456564 14.90257917
-0.00012153 -0.00095510 0.00000185
0.02004747 -0.00848823 0.01020662
3.31526968 -18.86299237 15.83062070
0.00021670 0.00013172 0.00076869
0.01181861 0.01318648 0.00486444
8.21089338 14.20055472 -1.20566487
-0.00053676 -0.00001370 0.00011711
-0.00298073 0.01134347 -0.00494286
7.32802790 16.38630231 0.44415411
-0.00080383 -0.00015056 0.00062464
-0.00103248 0.00303833 -0.01568096
-8.52369155 9.53912410 12.38402013
-0.00046746 0.00053617 0.00004606
0.00667571 -0.01606118 0.00803429
-10.65540131 11.12192486 11.53743071
0.00010003 -0.00100075 -0.00032575
-0.00139726 -0.00307415 -0.00063483
-10.01355318 0.27873570 -14.58191881
-0.00024224 0.00055763 0.00001790
0.03376730 -0.01643853 0.01275209
-8.14332377 -2.07890380 -15.33081313
0.00044601 0.00013348 -0.00079909
-0.00724441 0.03997453 0.01662671
-12.23640006 1.08670505 -7.02040889
0.00016694 -0.00000584 0.00030540
0.02584272 0.01959378 0.00251839
-11.06457884 3.62688248 -5.79563337
-0.00089624 -0.00050568 -0.00034763
0.00421652 0.00921104 0.00595624
-1.99452634 -6.27227451 14.63286469
0.00014454 -0.00050907 0.00030612
0.01890449 0.00616736 0.00526651
-0.39950950 -5.63810382 17.07024052
-0.00021873 0.00014244 0.00107689
0.00082425 -0.00337905 0.00766163
-24.87800767 -0.49611308 -19.07592819
0.00071545 0.00039951 0.00043572
0.00886808 0.00403657 0.00044135
-25.59279832 0.88253944 -21.62339509
0.00000552 -0.00034345 -0.00067806
-0.00262983 0.02551470 -0.01605489
9.52321006 8.65209239 6.54422631
-0.00006696 -0.00106374 -0.00043806
-0.00254090 -0.01823652 0.00704875
10.08489049 7.88763919 9.22075888
-0.00026820 0.00017651 0.00010182
-0.00688876 -0.00571504 -0.00595211
19.78622956 27.51500506 -4.00038007
0.00035880 0.00043501 0.00011572
0.00588499 0.00371313 -0.00391600
20.23223042 30.39774930 -4.42019363
0.00061441 -0.00049782 -0.00067717
-0.00206392 0.01464560 0.00034261
6.07939248 -0.80154596 -7.01761555
0.00055426 -0.00112012 -0.00067761
0.00701451 0.00630502 -0.00223792
7.35695714 -3.31891614 -7.16384633
0.00072504 -0.00041375 0.00024556
0.00040105 -0.01867689 0.00122279
-8.80753679 -2.20705204 12.26112135
-0.00024477 -0.00054101 0.00080759
0.01635285 -0.00439311 0.00147003
-11.04872248 -3.14578178 13.31325321
-0.00004532 -0.00076145 -0.00023869
-0.03093895 -0.00303076 0.01389776
-1.25100186 -24.23206058 15.04639345
0.00070794 -0.00023025 0.00042814
0.00164062 0.00292686 -0.01305266
-3.00862108 -22.12475874 13.93093150
-0.00025793 0.00008571 0.00112057
-0.00838475 -0.00156904 -0.00196641
-12.43893075 -8.09700775 -7.09493313
-0.00102090 -0.00078054 -0.00019654
-0.00768999 0.01093877 -0.00073565
-10.37563989 -7.39299826 -9.07659247
-0.00033152 -0.00018809 0.00147301
0.03367657 0.08207920 -0.04133741
-16.21608530 -10.32306946 -15.94067044
-0.00006877 -0.00096769 -0.00051897
0.00323641 0.00511073 0.01162788
-14.22716577 -8.15269820 -16.20378685
0.00006567 -0.00003735 -0.00010930
-0.00315169 0.00413469 0.00166154
17.18660221 12.83417124 5.34522148
0.00077042 0.00047432 0.00012112
-0.00159444 -0.00188406 0.00610990
17.30526357 14.24369404 2.73260676
-0.00053779 0.00030276 0.00030825
-0.00803402 -0.01300004 0.00890617
18.44000775 -4.29210925 -15.03488428
-0.00013681 -0.00031422 0.00005582
-0.00635055 -0.00164776 0.00047527
21.04535429 -2.95773170 -15.43061107
-0.00121574 0.00033250 0.00001994
-0.01218758 -0.04203726 0.01528600
-1.22714728 7.10784764 -13.53718291
0.00152510 -0.00091025 -0.00015572
0.01162196 0.00328533 -0.01982932
0.07914393 7.02522660 -16.29982186
-0.00049515 0.00030652 -0.00076315
-0.01338767 0.01287361 0.02537165
0.79612201 0.54538965 -15.56303540
-0.00024131 0.00015635 -0.00010427
0.00071267 0.00669411 0.00715470
2.44435024 -1.01763028 -17.27576556
0.00076747 -0.00018968 0.00030078
0.01867698 -0.00640263 -0.00004579
12.23330644 22.55176981 -22.33764571
0.00063734 -0.00174878 -0.00029025
0.00910618 0.01767931 0.00407489
9.98257827 21.13200344 -23.18831496
-0.00031344 -0.00061363 -0.00051092
-0.00653500 -0.00672502 -0.00464243
-9.93342112 16.06432687 -17.12100726
-0.00052126 -0.00044163 -0.00029840
0.01279175 0.01169575 -0.01900720
-10.81483925 15.37514162 -14.53638928
-0.00006996 0.00086948 -0.00055669
0.00464403 -0.00059835 0.03235391
3.11100283 18.69208098 11.41180740
-0.00028307 0.00115790 0.00027699
0.01520035 -0.01474125 -0.00953360
4.85554266 18.16343075 9.05531721
-0.00039603 0.00091919 -0.00052043
-0.00485798 -0.00383938 0.01323002
-3.94777354 -10.41361311 -3.32586192
-0.00134282 0.00014926 -0.00049319
0.03939682 -0.01308108 0.00770901
-1.31655928 -11.44654246 -1.96521405
-0.00016505 -0.00015310 -0.00063862
-0.00328390 0.00594075 0.03438504
0.14565303 -7.23754799 4.89976438
0.00003890 -0.00080016 0.00049762
-0.00957104 0.01155837 0.01145406
2.85005876 -8.42070643 4.77001678
-0.00075055 -0.00011987 0.00068914
-0.02842247 0.00964991 -0.01915290
8.00715732 1.92494677 9.13606703
-0.00079089 -0.00030459 -0.00111486
0.01346493 0.00188302 -0.00634075
9.72128068 3.68541860 7.48910452
0.00029583 0.00106742 0.00045804
-0.00479391 -0.01223686 0.01153161
-7.91427722 -8.67306763 -4.41474806
0.00021437 0.00059426 0.00034087
-0.02207610 0.00432721 -0.01384319
-7.97489415 -10.23037741 -1.84909335
0.00028694 -0.00046969 0.00060496
-0.00694734 0.00465457 -0.01245408
4.79474846 -13.59975254 -11.98598580
-0.00079763 0.00052003 -0.00060799
-0.00087079 0.00423686 -0.00433333
2.43907439 -13.19074616 -13.77791356
0.00011518 -0.00011764 -0.00022527
-0.01032550 -0.00336940 0.00027187
1.33711158 -6.09070230 0.21942919
-0.00017658 0.00022866 0.00058571
-0.00459406 0.03428908 -0.02184996
-0.20271920 -3.61969983 -0.26983962
-0.00039975 -0.00032958 0.00006988
-0.00437727 -0.00357446 0.00398764
17.48510180 3.38031317 25.77384415
-0.00019939 -0.00015883 0.00011153
-0.00182936 0.00308357 0.00093127
16.60391061 3.25474590 28.53615749
0.00047865 0.00077022 -0.00043601
0.00584985 0.02731447 -0.03020309
-10.91414996 7.27346185 -3.78324428
-0.00047405 0.00001312 0.00125086
0.01602162 -0.00343053 -0.00895673
-8.32267921 7.03671398 -5.43751976
0.00089934 -0.00069298 0.00039436
-0.02258142 -0.00459087 0.01359924
-6.40644826 15.99060646 -9.14900672
0.00019050 -0.00040847 0.00007783
0.00729739 -0.00046859 0.00145181
-4.82068325 14.34066314 -11.00000981
0.00003403 0.00037705 -0.00025907
0.00651324 0.00063617 0.00950751
2.76704696 10.80647568 -5.70008168
-0.00018414 0.00117143 0.00010893
0.00251399 -0.00515365 -0.00035357
1.41123026 13.09839607 -6.95500341
0.00045879 -0.00029646 -0.00023962
0.00239654 0.00396967 0.00347710
-2.68857940 11.09124220 -14.20633871
0.00069764 0.00053159 -0.00008362
0.04534598 -0.02364356 -0.01233224
-5.26862214 10.55857224 -13.27541390
0.00008460 0.00059045 0.00052086
-0.01358639 -0.01101336 0.00297412
4.39804140 7.77677668 19.08038346
0.00055349 -0.00079098 -0.00039275
-0.00948665 -0.00860744 -0.01723746
1.99919389 6.98924475 17.42672993
0.00051160 -0.00053433 0.00072347
0.01018971 0.00067063 0.00444214
-13.44100543 8.72222364 -8.95196452
-0.00091897 -0.00022416 -0.00059825
-0.04558647 -0.00739700 0.01075884
-16.33636867 8.41773857 -7.58068458
-0.00009981 0.00030076 0.00061069
0.00929129 -0.00681343 0.01907275
5.21657406 10.46385580 0.40646170
-0.00137543 0.00004191 0.00103293
-0.02880714 -0.02830607 0.00278229
2.28128892 10.04467358 1.28466143
0.00118778 0.00130679 -0.00138619
0.00119463 -0.00721871 -0.00423470
14.32271107 -23.80051677 -25.58898398
0.00000914 0.00023571 -0.00013328
0.00843999 -0.00307627 -0.00210090
15.00776116 -24.19704434 -28.33379097
0.00073729 -0.00127204 0.00079738
0.01017014 -0.00132181 0.01352286
4.34575383 3.42956383 -0.81398437
-0.00042095 0.00050415 0.00098525
0.00305640 0.01412224 0.00972633
5.14001091 5.89156664 0.69476114
0.00104439 0.00021059 0.00133782
0.00530765 -0.02230356 -0.00710106
17.34423863 -3.59719940 -0.50561531
0.00116107 0.00003230 -0.00026987
-0.00134733 -0.02467328 0.01099077
16.31709042 -6.46236818 -0.86954473
-0.00117543 0.00056788 -0.00084537
0.01330104 0.01897612 0.00764969
-6.23870172 2.78893291 -1.83035598
-0.00024603 -0.00005615 -0.00036827
-0.06640948 0.02076493 0.03417758
-5.08059441 1.18669239 -3.75905904
0.00057060 0.00041256 -0.00080599
-0.00207802 -0.01800075 -0.01006859
2.53782580 2.85772234 -11.29129964
0.00034025 -0.00008673 -0.00000442
-0.00985838 0.00109200 -0.01553850
0.20550428 1.59876197 -10.50123380
0.00095940 -0.00104930 0.00084776
-0.02616035 -0.03004863 0.02875964
17.06293428 8.09892613 -7.71911782
-0.00028244 0.00098123 0.00031553
0.00445578 -0.02909868 -0.01601685
16.10947736 10.51969099 -7.02887878
-0.00088407 -0.00042447 0.00058074
-0.01256976 0.01332096 0.00773561
-6.82624966 0.45860286 11.02145621
-0.00104921 0.00074253 0.00039660
-0.00033415 0.01335074 0.02004779
-7.91288649 1.62654092 13.66239360
-0.00118507 -0.00059038 0.00131640
-0.00952441 0.00050796 -0.00223396
-2.22539026 -16.75412762 13.99342481
0.00042119 0.00008536 0.00089981
-0.00013133 -0.00175241 0.00681058
-4.66981675 -17.54748317 12.42789266
-0.00147936 -0.00052379 -0.00088687
0.00489416 -0.00650220 0.00443983
6.81353584 -6.30383321 -4.48684720
-0.00001505 0.00029940 -0.00053821
0.01535792 0.01343264 0.02273836
5.50830579 -7.89434878 -6.20529398
-0.00029546 0.00020379 -0.00020588
-0.00175263 -0.00876108 -0.01214274
-2.82787625 -11.46763256 2.21894964
0.00013380 0.00011817 -0.00043018
0.01387104 -0.00355046 -0.00845291
-0.26008456 -10.13232940 2.34131896
-0.00017615 0.00051860 -0.00100234
-0.00769446 -0.01599870 -0.00815029
-14.65581004 -0.89202932 5.87301896
-0.00056047 -0.00009760 0.00063302
-0.01257499 -0.00318861 0.00037932
-15.90538563 -1.90467688 3.48462958
0.00008793 -0.00006791 0.00111834
0.00021738 0.00451774 0.00211702
-9.55570124 4.74284535 -23.38462884
0.00012754 -0.00072503 -0.00042584
0.00205421 -0.00548318 0.00411563
-8.98246996 4.44649300 -20.48904346
-0.00007994 -0.00094362 -0.00119466
-0.00080360 0.00568108 0.00207671
1.90116943 1.13246284 -3.12487296
0.00115444 -0.00037004 0.00061739
0.00317802 -0.00310043 -0.00996916
0.58014596 0.34577243 -0.58129503
-0.00022489 -0.00022148 0.00084073
0.03497510 0.02197858 -0.01443740
14.06502233 9.44161908 3.55384324
-0.00018637 -0.00087644 -0.00033885
-0.01399026 0.00028243 -0.00144569
11.25122685 9.02769639 2.43170405
-0.00037497 -0.00076610 -0.00046507
0.02866328 -0.00226508 0.01938782
5.42505748 -9.20137932 -10.57266868
-0.00007791 -0.00020648 0.00007481
-0.00081660 0.00609409 -0.00686804
-13.01387124 10.41381582 21.23605338
0.00006119 -0.00002950 0.00011450
0.00660098 0.00022269 -0.00177867
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06720856
0.32049443
427.04275890
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1867171444
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3736101913 (a.u.)
total exchange computation time: 3.4347958565 s
-154.1835503903
-931.38603983
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1867171444
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.3735081879 (a.u.)
total exchange computation time: 3.4344270229 s
-154.1855770477
Anderson extrapolation: theta=1.3428984982 (1.3428984982)
-931.38628706
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1867171444
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.3732921043 (a.u.)
total exchange computation time: 3.4329810143 s
-154.1887243513
Anderson extrapolation: theta=0.0529860965 (0.0529860965)
-931.38643349
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1867171444
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3732129455 (a.u.)
total exchange computation time: 3.4318408966 s
-154.1893157676
Anderson extrapolation: theta=1.9735351593 (1.9735351593)
-931.38643922
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1867171444
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3730291123 (a.u.)
total exchange computation time: 3.4334449768 s
-154.1906028053
Anderson extrapolation: theta=0.2300570041 (0.2300570041)
-931.38644560
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1867171444
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3729753796 (a.u.)
total exchange computation time: 3.4360349178 s
-154.1909092533
Anderson extrapolation: theta=1.8397763793 (1.8397763793)
-931.38644690
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1867171444
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3728901506 (a.u.)
total exchange computation time: 3.4341211319 s
-154.1913196625
Anderson extrapolation: theta=0.2766105202 (0.2766105202)
-931.38644850
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1867171444
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3728817450 (a.u.)
total exchange computation time: 3.4339239597 s
-154.1912825075
Anderson extrapolation: theta=1.2812020278 (1.2812020278)
-931.38644887
237.573137 31.291846 245.970303
-142.444834 489.887494 -805.567889
95.128303 521.179341 -559.597586
770.601556
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0706395349
ExchangeOperator: pair fraction: ispin=0: 0.1867171444
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3728831975 (a.u.)
total exchange computation time: 3.4354460239 s
678.80123518
-1083.53523920
89.81174200
-389.27574525
-174.81555868
78.19902528
551.60419304
0.00000000
-931.38644915
-8.77464447 -3.93094673 3.61493729
-0.00003819 -0.00006991 0.00025952
-0.03963951 0.01653651 -0.02581369
-17.83456551 4.46017974 6.51300093
0.00009223 -0.00020527 -0.00007173
-0.00186818 -0.01638041 -0.01517409
-15.55980212 -0.89555563 0.47112628
0.00013774 0.00017643 -0.00021373
0.00897883 0.05154750 0.01585076
3.29814457 -20.65325326 15.58136072
-0.00053244 0.00020926 -0.00026000
-0.02958099 -0.00566517 -0.00909940
7.59420250 15.98703946 -1.34090908
0.00036293 0.00007689 0.00001148
0.00337089 -0.01414567 0.02953836
-9.84050066 9.52608489 11.10585602
-0.00022475 -0.00018544 -0.00012609
-0.01156907 0.00824284 -0.01344253
-8.25711808 -0.49164847 -14.24784299
-0.00026893 0.00018436 -0.00020224
-0.02075474 -0.02334403 -0.02430373
-10.80318283 2.34557896 -7.04205116
0.00006946 0.00026949 0.00030424
-0.02412458 -0.04774376 -0.02542620
-0.28258187 -5.74339923 15.26107889
-0.00022991 -0.00000201 0.00020247
-0.02128706 -0.00349150 -0.00196855
-25.60431960 -0.66484472 -20.73338961
-0.00044100 -0.00023598 0.00004769
0.00436457 -0.02381985 0.01356384
8.86309979 7.50229186 7.85865043
0.00007297 0.00006328 -0.00001988
0.01458664 0.01104573 -0.00562324
20.78497573 28.72405363 -4.99818675
0.00003926 -0.00021793 -0.00013234
0.00789372 -0.02935655 0.00795346
7.74559681 -1.55541307 -7.23202864
-0.00019996 0.00014669 -0.00006251
-0.00142968 0.00640743 -0.00124382
-9.29834888 -3.50100898 13.47035640
0.00027830 0.00019696 0.00022947
0.00897369 -0.00113166 -0.01551953
-1.28706111 -22.74974033 13.93223172
0.00011240 0.00010623 0.00013874
0.00154325 -0.00182965 0.01537496
-11.06055240 -8.63534398 -8.18859484
0.00014903 0.00008161 0.00019469
-0.03012689 -0.09955806 0.04865470
-15.90531236 -8.55870499 -15.50611691
0.00004343 0.00005593 0.00007330
-0.00543828 -0.01740902 -0.01264115
16.70586029 12.69613553 3.58562091
0.00041474 0.00017539 0.00004045
0.00679945 0.01223216 -0.01644047
20.19136038 -4.60986192 -14.73606503
-0.00018453 -0.00002095 -0.00006956
0.02425635 0.03789587 -0.02080828
-0.45816276 8.15588156 -14.89018942
0.00030211 0.00003286 -0.00007290
-0.00229232 -0.02164617 -0.00421695
0.70249471 -0.69451543 -16.89749288
-0.00034477 0.00040502 -0.00025629
-0.01341833 0.00371545 0.00123705
11.81358417 20.99777702 -23.16474072
0.00043506 0.00001131 0.00004746
-0.01086880 -0.03042497 -0.00773788
-11.27914495 15.24862652 -16.23423348
-0.00001404 0.00004750 -0.00028023
-0.03322464 -0.02757290 -0.00034190
4.49698024 17.60054714 10.78448636
0.00044912 0.00001708 -0.00035525
-0.01710281 0.02063691 -0.00540076
-2.13941047 -11.09674526 -3.51670817
0.00001183 -0.00000961 0.00014491
-0.04572588 0.01708121 -0.04582781
1.23344910 -8.12860878 3.76261949
0.00021047 -0.00013533 0.00021102
0.04412189 -0.00006603 0.01735486
9.61275214 1.96243728 8.22616523
-0.00004709 0.00025795 0.00019848
-0.01271854 0.01928467 -0.01047576
-6.94708838 -9.28645042 -3.05770775
-0.00006534 0.00039747 -0.00017753
0.02094159 -0.00970154 0.03547107
3.89313799 -12.37535922 -13.03405614
-0.00004468 0.00031620 -0.00019089
0.00288164 0.00071994 -0.00130429
1.20434947 -4.56176656 -0.93794903
0.00017674 0.00012018 0.00012128
0.00495099 -0.03178146 0.02041788
17.03769148 4.50357880 27.13829919
0.00034973 0.00003625 -0.00019779
-0.00558754 -0.02898449 0.02839152
-9.63876762 6.06786490 -4.43432299
-0.00013307 -0.00007469 0.00019847
-0.00532623 0.02771951 0.01496334
-4.89864900 14.93320533 -9.24652416
0.00033746 0.00001962 -0.00023007
-0.00929278 -0.00078564 -0.00586801
3.00542588 12.18731032 -6.86390905
-0.00023352 0.00004121 -0.00005043
-0.00098741 0.01088320 -0.00669015
-4.17313221 11.90037153 -13.75832782
0.00014006 0.00012837 0.00007547
-0.02991968 0.03310299 0.01214928
3.86153590 7.25358891 17.35336057
-0.00000587 0.00016502 -0.00013202
-0.00647248 0.00492661 0.01222241
-15.36110331 8.71072297 -9.07927852
-0.00026773 -0.00016534 -0.00011095
0.03616820 0.00857272 -0.02185346
3.73447040 9.22653350 0.52456916
0.00004401 -0.00001274 0.00016989
0.03581049 0.01948685 -0.00425594
15.84447166 -24.03478760 -26.67164334
0.00007306 -0.00006496 -0.00013642
-0.02115248 -0.00145595 -0.00181639
5.73536986 4.17082075 0.17499178
-0.00022350 -0.00011922 0.00016767
-0.00631754 0.02172624 0.00659597
17.19750085 -5.28257126 0.31672093
0.00032431 0.00003188 -0.00019893
-0.01532302 -0.00334539 -0.02576841
-4.71198917 2.44627558 -2.51282752
-0.00029707 -0.00015279 0.00042934
0.08055152 0.00478190 -0.02269252
0.83306994 2.45641310 -11.89604334
-0.00025885 0.00030562 -0.00022790
0.03426814 0.02145161 -0.01644119
15.42621761 8.87061135 -7.38488565
-0.00010136 -0.00020435 0.00027231
0.00737291 0.02172765 0.01147482
-6.40671010 0.98616402 12.79156504
-0.00017159 0.00008995 0.00000492
0.00383498 0.00028585 -0.01740234
-3.53059166 -16.18462283 12.86692215
-0.00009901 -0.00000069 0.00021628
-0.00490659 -0.00387792 -0.02428335
7.06142478 -6.87578621 -6.19664014
0.00000312 0.00035806 -0.00037559
-0.02060636 -0.00409254 -0.00688952
-1.11270917 -11.60032912 1.45087986
0.00002330 -0.00019126 -0.00039084
-0.01160543 0.01210913 0.01508657
-16.17935117 -1.77800836 5.32848535
0.00049132 0.00001883 0.00036139
0.00444258 -0.00108821 0.00810652
-9.16012731 3.51558420 -22.05128776
-0.00023379 -0.00017653 -0.00027890
0.00266283 0.00007013 -0.00726195
2.12455687 1.19300235 -1.32757809
-0.00039320 -0.00025301 -0.00026569
-0.04345655 -0.02200270 0.02832431
12.49303447 8.51699980 3.80838664
0.00027019 -0.00011541 -0.00011594
-0.02417524 0.00096187 -0.02288329
-7.40980286 -4.26880877 2.52711118
0.00116582 -0.00101583 0.00070268
0.04470826 -0.00879969 -0.01560532
-10.01808332 -3.72789177 2.17237315
-0.00025942 -0.00097140 0.00039733
0.01105911 0.00937332 0.02908992
-16.63457059 5.76737887 6.93321540
0.00000847 -0.00116547 -0.00060767
0.00814517 0.00171179 -0.00477864
-17.20514434 3.53897265 5.01269805
-0.00000623 -0.00002658 -0.00068754
-0.00356317 0.01710845 0.01779523
-16.37924243 0.85880942 0.49363320
0.00031462 -0.00023384 0.00012383
0.03301197 -0.02352232 0.00817965
-16.92116672 -1.69961884 -0.26543856
-0.00016235 -0.00101302 -0.00080206
-0.03550726 -0.03556470 -0.02792719
1.55632771 -20.94915224 14.90291969
-0.00004332 -0.00098613 0.00004304
0.01823448 -0.00669925 0.00995551
3.31888233 -18.86061256 15.84230006
0.00026197 0.00018298 0.00078681
0.01034209 0.01190804 0.00400954
8.20275066 14.20069682 -1.20405973
-0.00054742 0.00003026 0.00009705
-0.00223781 0.01017543 -0.00487483
7.31593874 16.38413706 0.45304318
-0.00080612 -0.00014032 0.00055110
-0.00008411 0.00197249 -0.02031460
-8.53049884 9.54667446 12.38495730
-0.00043929 0.00046896 0.00007877
0.00711296 -0.01683846 0.00797285
-10.65394374 11.10681944 11.53252502
0.00008738 -0.00100121 -0.00032664
-0.00479199 0.00284623 0.00019682
-10.01615202 0.28659637 -14.58125956
-0.00010423 0.00048904 0.00006890
0.03378954 -0.01713736 0.01221516
-8.13685555 -2.07567671 -15.34228991
0.00041442 0.00030008 -0.00072897
-0.00821893 0.04158003 0.01769405
-12.23310402 1.08721780 -7.01575078
0.00027288 0.00007393 0.00031471
0.02601283 0.01945804 0.00204235
-11.07789328 3.61957954 -5.80066535
-0.00088001 -0.00045782 -0.00031391
0.00372834 0.01421828 0.01055092
-1.99177893 -6.27972152 14.63761790
0.00021869 -0.00048422 0.00032689
0.01739003 0.00599594 0.00489884
-0.40276523 -5.63607072 17.08662866
-0.00021470 0.00012751 0.00109404
0.00114752 -0.00392896 0.00073255
-24.86700410 -0.48999679 -19.06937885
0.00074635 0.00041459 0.00042476
0.00625683 0.00334632 -0.00580567
-25.59279608 0.87816961 -21.63405799
-0.00000545 -0.00024377 -0.00074127
-0.00274079 0.02327688 -0.01488635
9.52212785 8.63557746 6.53787135
-0.00007438 -0.00113371 -0.00041264
-0.00109099 -0.01601276 0.00539594
10.08065640 7.89011173 9.22210374
-0.00029495 0.00015391 0.00007772
-0.00620614 -0.00534742 -0.00584417
19.79179186 27.52164405 -3.99876422
0.00037932 0.00044592 0.00010294
0.00415926 0.00162601 -0.00233984
20.24138328 30.39073079 -4.43034061
0.00060357 -0.00043129 -0.00067343
-0.00324117 0.01792148 0.00148436
6.08792129 -0.81815462 -7.02784824
0.00056562 -0.00108622 -0.00068449
-0.00145094 0.01029268 -0.00113068
7.36784503 -3.32569465 -7.16012539
0.00072809 -0.00048343 0.00025033
0.00109143 -0.01543501 0.00110789
-8.81070721 -2.21530179 12.27328020
-0.00017302 -0.00054755 0.00080335
0.01876720 0.00118915 -0.00354389
-11.05035027 -3.15729645 13.31009867
-0.00016731 -0.00077494 -0.00018189
-0.02877984 -0.00357229 0.01390976
-1.24033254 -24.23542466 15.05241551
0.00071419 -0.00021403 0.00037110
0.00142232 0.00501182 -0.01486876
-3.01274696 -22.12352122 13.94767981
-0.00028713 0.00007780 0.00111167
-0.00591126 -0.00230137 -0.00238887
-12.45447983 -8.10838066 -7.09790381
-0.00104703 -0.00073718 -0.00020261
-0.00510543 0.01028690 -0.00223442
-10.37958067 -7.39330447 -9.05576395
-0.00018411 0.00016622 0.00129204
0.03847854 0.09135807 -0.04724908
-16.21701766 -10.33742818 -15.94809872
-0.00005288 -0.00093117 -0.00046747
0.00454282 0.01276454 0.01358434
-14.22627728 -8.15313177 -16.20537548
0.00005220 -0.00002072 -0.00010209
-0.00344255 0.00400628 0.00186752
17.19810968 12.84122831 5.34722552
0.00076254 0.00046562 0.00014348
-0.00226521 -0.00237622 0.00483313
17.29695049 14.24783702 2.73750347
-0.00056862 0.00025298 0.00034174
-0.00705377 -0.01136591 0.00748544
18.43776095 -4.29687299 -15.03403244
-0.00016512 -0.00032146 0.00005793
-0.00750351 -0.00189878 0.00055717
21.02674479 -2.95403235 -15.42984363
-0.00126295 0.00016145 0.00008202
-0.01092351 -0.04169099 0.01510703
-1.20391469 7.09429459 -13.54012634
0.00157094 -0.00089613 -0.00023535
0.01082060 0.00362498 -0.01914788
0.07130649 7.03021896 -16.31049164
-0.00054932 0.00036023 -0.00065921
-0.01313022 0.01341589 0.02550596
0.79252426 0.54794004 -15.56438025
-0.00023856 0.00018438 -0.00007440
0.00063019 0.00702496 0.00746826
2.45643459 -1.02067168 -17.27125529
0.00082676 -0.00021262 0.00030435
0.01034810 -0.00482897 0.00179443
12.24314560 22.52607992 -22.34187461
0.00067891 -0.00165481 -0.00026154
0.01124088 0.02831911 0.00998156
9.97767642 21.12259298 -23.19612097
-0.00032842 -0.00063987 -0.00052839
-0.00079753 -0.00612277 -0.00390894
-9.94084798 16.05806082 -17.12606571
-0.00046252 -0.00039016 -0.00037999
0.01596048 0.01349852 -0.02093234
-10.81574634 15.38816541 -14.54374828
-0.00005041 0.00086771 -0.00042148
0.00492715 -0.00026732 0.03383361
3.10722263 18.70899773 11.41567009
-0.00020790 0.00108648 0.00023276
0.02159382 -0.02021981 -0.01211510
4.84945334 18.17710091 9.04791617
-0.00041531 0.00090146 -0.00046389
-0.00457783 -0.00483998 0.01444861
-3.96670866 -10.41177506 -3.33302348
-0.00117157 0.00009248 -0.00046118
0.04443129 -0.01471240 0.00795745
-1.31913563 -11.44865698 -1.97373975
-0.00017421 -0.00013107 -0.00048747
-0.00120040 0.00484330 0.03960613
0.14594323 -7.24919619 4.90757967
-0.00000144 -0.00075262 0.00054357
-0.01017288 0.01171388 0.01104040
2.83792949 -8.42220878 4.77976703
-0.00085995 -0.00008224 0.00061285
-0.02512827 0.00877136 -0.01819102
7.99570651 1.92043568 9.11914980
-0.00073594 -0.00029624 -0.00114033
0.01343503 0.00220127 -0.00612376
9.72557124 3.70105498 7.49632852
0.00027529 0.00101031 0.00050815
-0.00526171 -0.01571867 0.01299471
-7.91173811 -8.66402112 -4.41005926
0.00011858 0.00061419 0.00027836
-0.02481697 0.00542778 -0.01675389
-7.97080294 -10.23728010 -1.84040051
0.00026353 -0.00044467 0.00054617
-0.00451305 0.00759200 -0.01632682
4.78275729 -13.59182229 -11.99523838
-0.00079500 0.00053032 -0.00061924
0.00215736 0.00080136 -0.00117401
2.44048572 -13.19261404 -13.78128423
0.00007349 -0.00012987 -0.00022450
-0.01008066 -0.00261799 0.00010576
1.33432211 -6.08622166 0.22754530
-0.00019438 0.00036876 0.00049521
-0.00412026 0.03428964 -0.02245108
-0.20884961 -3.62475310 -0.26866926
-0.00041532 -0.00034469 0.00008442
-0.00324433 -0.00382007 0.00313298
17.48205487 3.37802526 25.77554567
-0.00020584 -0.00014836 0.00011185
-0.00132878 0.00203773 -0.00077343
16.61126966 3.26713618 28.52869188
0.00050053 0.00087650 -0.00055280
0.00486065 0.02470874 -0.02696944
-10.92076975 7.27355356 -3.76475579
-0.00040180 -0.00000461 0.00121019
0.01934728 -0.00524874 -0.01095453
-8.30988104 7.02617864 -5.43118761
0.00080311 -0.00071114 0.00045164
-0.02452632 -0.00430137 0.01444048
-6.40336714 15.98446504 -9.14779471
0.00021896 -0.00040911 0.00008399
0.00663283 0.00015392 0.00155971
-4.81997320 14.34633840 -11.00360447
0.00006114 0.00037876 -0.00022171
0.00675655 0.00020236 0.00877706
2.76436183 10.82388926 -5.69845858
-0.00017528 0.00114099 0.00011522
0.00182299 -0.00974908 0.00343295
1.41818559 13.09407075 -6.95849122
0.00045877 -0.00027439 -0.00022622
-0.00240882 0.00683677 0.00308256
-2.67672525 11.09849152 -14.20797096
0.00087428 0.00043752 -0.00013108
0.04112150 -0.02240619 -0.01089988
-5.26776951 10.56709150 -13.26750982
0.00002909 0.00054260 0.00053320
-0.01358269 -0.01240880 0.00306444
4.40605303 7.76464815 19.07396393
0.00051649 -0.00082445 -0.00045917
-0.00862662 -0.00777633 -0.01527294
2.00718007 6.98125031 17.43771807
0.00054855 -0.00053163 0.00074059
0.00790150 0.00065245 0.00393990
-13.45618689 8.71863464 -8.96060851
-0.00109648 -0.00025428 -0.00055306
-0.04130736 -0.00735003 0.01135891
-16.33758111 8.42204114 -7.57093974
-0.00005834 0.00027385 0.00068206
0.01101001 -0.00635715 0.01586244
5.19505991 10.46361705 0.42204093
-0.00148170 -0.00006846 0.00104140
-0.02321505 -0.02572182 0.00136389
2.29914221 10.06405427 1.26373886
0.00117867 0.00128112 -0.00139687
-0.00565343 -0.00535054 -0.00099283
14.32310674 -23.79707545 -25.59104757
0.00004451 0.00022312 -0.00014204
0.00887731 -0.00308300 -0.00218483
15.01913218 -24.21616547 -28.32141592
0.00077268 -0.00127820 0.00083992
0.00715245 -0.00169315 0.00729926
4.33953324 3.43755885 -0.79890763
-0.00041460 0.00055901 0.00102110
0.00005306 0.01273114 0.00782600
5.15583938 5.89404197 0.71461083
0.00106551 0.00011629 0.00130654
0.00503140 -0.02385587 -0.00820915
17.36161337 -3.59747104 -0.50932653
0.00115459 -0.00006838 -0.00022397
-0.00182306 -0.02460823 0.01147607
16.29986657 -6.45326843 -0.88199080
-0.00111589 0.00064949 -0.00080792
0.01584367 0.02096968 0.01067869
-6.24442709 2.78872695 -1.83483269
-0.00052215 0.00002879 -0.00022806
-0.06875472 0.02081498 0.03445707
-5.07209906 1.19232920 -3.77145739
0.00056222 0.00034343 -0.00084236
-0.00202611 -0.01583788 -0.00773461
2.54262741 2.85645478 -11.29184212
0.00029402 -0.00008267 -0.00007099
-0.01277102 0.00089645 -0.01704784
0.21909366 1.58210162 -10.48763608
0.00085931 -0.00116152 0.00094694
-0.02283267 -0.02488084 0.01978898
17.05883415 8.11275298 -7.71487567
-0.00025624 0.00085743 0.00024792
0.00837139 -0.03150503 -0.01707979
16.09583109 10.51373209 -7.01993069
-0.00093386 -0.00036378 0.00061402
-0.01180265 0.01638781 0.00855744
-6.84199806 0.47014999 11.02801950
-0.00105034 0.00079480 0.00047392
-0.00021770 0.01223220 0.01780174
-7.93095441 1.61770085 13.68207119
-0.00121111 -0.00059258 0.00130044
-0.00322013 -0.00158878 -0.00558053
-2.21907645 -16.75290093 14.00713067
0.00041082 0.00008002 0.00091987
-0.00494262 -0.00086259 0.00300752
-4.69185715 -17.55553922 12.41472569
-0.00144376 -0.00053507 -0.00086158
0.01253327 0.00097770 0.00793733
6.81378066 -6.29893062 -4.49422352
0.00004768 0.00035465 -0.00044308
0.01534879 0.01361387 0.02382434
5.50382022 -7.89156041 -6.20875429
-0.00029909 0.00017060 -0.00025552
-0.00002385 -0.00748421 -0.01215355
-2.82544426 -11.46596883 2.21223793
0.00018894 0.00010368 -0.00046425
0.01312366 -0.00354157 -0.00822731
-0.26296254 -10.12504071 2.32603415
-0.00020827 0.00045033 -0.00103610
-0.00802895 -0.01741533 -0.00837736
-14.66460240 -0.89359102 5.88252595
-0.00060116 -0.00010475 0.00063757
-0.00734510 -0.00031058 0.00184477
-15.90406009 -1.90555716 3.50146958
0.00009088 -0.00005030 0.00111709
0.00122937 0.00410372 -0.00272768
-9.55372522 4.73180185 -23.39089025
0.00013491 -0.00074383 -0.00041210
0.00155380 -0.00371826 0.00261033
-8.98369368 4.43251280 -20.50689965
-0.00008144 -0.00091069 -0.00117064
0.00006988 0.01043778 0.00968068
1.91858337 1.12681723 -3.11591760
0.00116276 -0.00038462 0.00056023
0.00089773 -0.00403502 -0.01801059
0.57784431 0.34312377 -0.56912643
-0.00008036 -0.00013077 0.00077725
0.03577474 0.02242333 -0.01663860
14.06179807 9.42848112 3.54871614
-0.00023404 -0.00086938 -0.00034664
-0.00934523 0.00317518 -0.00236490
11.24648063 9.01613546 2.42532212
-0.00025393 -0.00077563 -0.00038268
0.03058441 -0.00239992 0.02094115
5.42388669 -9.20446009 -10.57156503
-0.00007818 -0.00020427 0.00007231
-0.00071044 0.00621559 -0.00710230
-13.01294187 10.41337377 21.23776782
0.00006274 -0.00002946 0.00011408
0.00675345 0.00007280 -0.00181307
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06720364
0.31924551
425.37863716
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1862844781
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3781234284 (a.u.)
total exchange computation time: 3.3832631111 s
-154.1996390681
-931.38440736
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1862844781
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3780074176 (a.u.)
total exchange computation time: 3.3819940090 s
-154.2019095355
Anderson extrapolation: theta=1.3516699524 (1.3516699524)
-931.38466587
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1862844781
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3778004872 (a.u.)
total exchange computation time: 3.3824248314 s
-154.2052589895
Anderson extrapolation: theta=0.0570967658 (0.0570967658)
-931.38482215
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1862844781
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3777466458 (a.u.)
total exchange computation time: 3.3861920834 s
-154.2057472269
Anderson extrapolation: theta=2.1126134868 (2.0000000000)
-931.38482942
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1862844781
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3776282454 (a.u.)
total exchange computation time: 3.3816289902 s
-154.2067547035
Anderson extrapolation: theta=0.3052798964 (0.3052798964)
-931.38483866
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1862844781
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3775959925 (a.u.)
total exchange computation time: 3.3826811314 s
-154.2069848453
Anderson extrapolation: theta=1.4989238059 (1.4989238059)
-931.38484105
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1862844781
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3775683624 (a.u.)
total exchange computation time: 3.3834619522 s
-154.2071306800
Anderson extrapolation: theta=0.3722133127 (0.3722133127)
-931.38484370
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1862844781
ExchangeOperator: bisection time: 1.602 s
total exchange = -52.3775788400 (a.u.)
total exchange computation time: 3.3816351891 s
-154.2069960808
Anderson extrapolation: theta=1.0404127592 (1.0404127592)
-931.38484452
237.508713 31.181888 201.651489
-142.463794 489.854405 -805.571898
95.044919 521.036293 -603.920408
803.263478
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1862844781
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3776047557 (a.u.)
total exchange computation time: 3.3828008175 s
678.87994710
-1083.70036154
89.80435740
-389.16304403
-174.82813927
78.28732824
551.60419304
0.00000000
-931.38484511
-8.77537028 -3.93193161 3.61873050
-0.00005685 -0.00006189 0.00024526
-0.03289938 0.01464093 -0.02962059
-17.83318929 4.45703744 6.51186650
0.00009048 -0.00021516 -0.00008049
-0.00493897 -0.02207386 -0.01891295
-15.55770133 -0.89271038 0.46798149
0.00014051 0.00020087 -0.00020672
0.00178321 0.04348583 0.01140536
3.29004386 -20.65013614 15.57742569
-0.00054662 0.00020641 -0.00026428
-0.02557774 -0.00543164 -0.00756826
7.59965944 15.98813831 -1.34062300
0.00036424 0.00007023 0.00002761
0.00172868 -0.01178681 0.03321366
-9.84391658 9.52333513 11.10391276
-0.00022979 -0.00018254 -0.00013316
-0.00801531 0.00302425 -0.01404156
-8.26123216 -0.48897307 -14.25097036
-0.00027929 0.00017226 -0.00021477
-0.01950958 -0.02373610 -0.02443166
-10.80223404 2.34943708 -7.03758571
0.00005729 0.00024381 0.00029014
-0.02317513 -0.05211435 -0.02938208
-0.28611259 -5.74344291 15.26410838
-0.00024039 -0.00000352 0.00020332
-0.01949353 -0.00238089 0.00525848
-25.61091778 -0.66847623 -20.73262190
-0.00043801 -0.00024720 0.00005575
0.00725509 -0.01982100 0.01776300
8.86425066 7.50328360 7.85833048
0.00007987 0.00006819 -0.00002238
0.01224983 0.00805889 -0.00408194
20.78559511 28.72067140 -5.00014109
0.00004410 -0.00023319 -0.00012885
0.01090651 -0.02996868 0.00558197
7.74259188 -1.55318798 -7.23297103
-0.00019856 0.00014801 -0.00006336
0.00688078 -0.00129537 -0.00208852
-9.29413980 -3.49805896 13.47373864
0.00028151 0.00019506 0.00022279
0.00350968 -0.00624879 -0.01047623
-1.28536913 -22.74815390 13.93437210
0.00011260 0.00010496 0.00014708
-0.00078373 -0.00313038 0.01708036
-11.05843311 -8.63450382 -8.18548675
0.00013238 0.00002937 0.00022073
-0.03461744 -0.10358461 0.05257022
-15.90468181 -8.55793323 -15.50506616
0.00004042 0.00004529 0.00006633
-0.00627236 -0.02396158 -0.01445659
16.71210766 12.69881358 3.58616426
0.00041811 0.00018126 0.00003275
0.00630865 0.01058131 -0.01351972
20.18868605 -4.61003003 -14.73718863
-0.00017223 -0.00000168 -0.00008015
0.02357104 0.03704430 -0.02039280
-0.45363990 8.15629094 -14.89129912
0.00030103 0.00002168 -0.00007522
-0.00192873 -0.02182509 -0.00481680
0.69727141 -0.68842587 -16.90133246
-0.00034951 0.00040649 -0.00025612
-0.00500084 0.00203636 -0.00059438
11.82006821 20.99782934 -23.16405861
0.00042742 -0.00000723 0.00004172
-0.01884721 -0.04169170 -0.01459157
-11.27948367 15.24923266 -16.23843824
-0.00003183 0.00003282 -0.00027995
-0.03594759 -0.02953211 0.00143209
4.50365104 17.60088289 10.77913671
0.00043884 0.00002911 -0.00035770
-0.02287425 0.02614744 -0.00411098
-2.13940936 -11.09682345 -3.51471126
-0.00001316 -0.00000025 0.00012012
-0.05144716 0.01931112 -0.05059209
1.23677633 -8.13063898 3.76585181
0.00023214 -0.00013504 0.00021975
0.04014542 0.00118224 0.01656400
9.61199679 1.96638084 8.22910207
-0.00005349 0.00026859 0.00019275
-0.01218205 0.02209395 -0.01181780
-6.94798777 -9.28052575 -3.06023394
-0.00005457 0.00039156 -0.00015789
0.02094839 -0.01330541 0.04091419
3.89247895 -12.37061338 -13.03692450
-0.00004415 0.00031723 -0.00019244
-0.00082585 0.00326665 -0.00471333
1.20701963 -4.56008640 -0.93605114
0.00017882 0.00010410 0.00013203
0.00313422 -0.03076300 0.02139421
17.04291586 4.50401071 27.13544179
0.00034705 0.00002246 -0.00018382
-0.00483749 -0.02463646 0.02594627
-9.64078428 6.06685145 -4.43128829
-0.00013619 -0.00006014 0.00020649
-0.00678436 0.02886858 0.01625485
-4.89362288 14.93349664 -9.24999786
0.00033282 0.00001916 -0.00023287
-0.00878391 -0.00099304 -0.00499823
3.00191924 12.18797051 -6.86469137
-0.00023262 0.00004721 -0.00005469
0.00451278 0.01244466 -0.00985079
-4.17114676 11.90242484 -13.75714889
0.00012611 0.00014509 0.00008123
-0.02430879 0.03189584 0.01025394
3.86142288 7.25608319 17.35142734
-0.00000875 0.00016735 -0.00012624
-0.00472375 0.00415270 0.01026892
-15.36497978 8.70827601 -9.08102710
-0.00025104 -0.00016109 -0.00012139
0.02875307 0.00795483 -0.01873097
3.73526868 9.22641750 0.52710108
0.00006244 -0.00000407 0.00016734
0.03585224 0.01425033 -0.00566883
15.84548603 -24.03576755 -26.67369669
0.00006301 -0.00006555 -0.00013563
-0.01794453 -0.00085225 0.00489331
5.73199297 4.16911630 0.17753233
-0.00022591 -0.00010742 0.00017181
-0.00302934 0.02414444 0.00950126
17.20230644 -5.28210594 0.31363755
0.00031587 0.00002958 -0.00021279
-0.01750693 -0.00562087 -0.02812677
-4.71613448 2.44400222 -2.50647502
-0.00025597 -0.00015079 0.00041734
0.07926125 0.00299473 -0.02395418
0.82931930 2.46108008 -11.89952527
-0.00024156 0.00031517 -0.00023356
0.03298837 0.01569617 -0.00558101
15.42472570 8.86762986 -7.38075670
-0.00009865 -0.00019337 0.00027822
0.00317098 0.02098008 0.01150184
-6.40926920 0.98751436 12.79157173
-0.00017116 0.00009095 -0.00000245
-0.00215825 0.00359744 -0.01125423
-3.53209577 -16.18464819 12.87007267
-0.00010215 -0.00000460 0.00020388
-0.00729633 -0.01132474 -0.02393910
7.06139215 -6.87043106 -6.20230063
-0.00000799 0.00035558 -0.00037920
-0.02259929 -0.00555464 -0.00711756
-1.11240449 -11.60315127 1.44507553
0.00001767 -0.00018479 -0.00038309
-0.01029047 0.01303445 0.01502684
-16.17196419 -1.77773013 5.33393750
0.00049191 0.00001755 0.00036631
-0.00215693 -0.00387146 0.01101866
-9.16362382 3.51293655 -22.05549932
-0.00023251 -0.00017814 -0.00028421
0.00229483 -0.00635613 -0.01336812
2.11849120 1.18912227 -1.33145422
-0.00041497 -0.00026399 -0.00024869
-0.04119534 -0.02068885 0.03780447
12.49699411 8.51527233 3.80655927
0.00025611 -0.00011571 -0.00012771
-0.03059567 -0.00211669 -0.02289399
-7.39094564 -4.28431592 2.53717312
0.00133363 -0.00104764 0.00064699
0.03743608 -0.00677219 -0.01165266
-10.02163566 -3.74217556 2.17922452
-0.00021218 -0.00093272 0.00051456
0.01206160 0.00955986 0.02829212
-16.63419396 5.74994933 6.92395399
0.00005019 -0.00114818 -0.00062312
0.01227776 0.00674948 -0.00278719
-17.20534700 3.53909826 5.00293026
-0.00002298 0.00004456 -0.00061133
-0.00463656 0.01771518 0.01950770
-16.37351154 0.85458103 0.49574131
0.00044607 -0.00032659 0.00015586
0.03133456 -0.02187882 0.00749901
-16.92469001 -1.71590398 -0.27832528
-0.00028928 -0.00114547 -0.00090564
-0.02662423 -0.02926957 -0.02277363
1.55623665 -20.96414941 14.90387035
0.00002647 -0.00100991 0.00008281
0.01592977 -0.00494528 0.00951437
3.32312882 -18.85750296 15.85422514
0.00030107 0.00022796 0.00080122
0.00879935 0.01010790 0.00304074
8.19447080 14.20146253 -1.20275336
-0.00055490 0.00006887 0.00007735
-0.00142375 0.00872635 -0.00476912
7.30384443 16.38209269 0.46068726
-0.00080457 -0.00013408 0.00046005
0.00084117 0.00108191 -0.02425535
-8.53687020 9.55319284 12.38638308
-0.00040992 0.00039870 0.00011074
0.00726303 -0.01755230 0.00767742
-10.65277985 11.09188845 11.52763139
0.00006071 -0.00097714 -0.00032395
-0.00826183 0.00893650 0.00112335
-10.01668004 0.29340676 -14.57985168
0.00003270 0.00041824 0.00011732
0.03323657 -0.01751519 0.01148611
-8.13089104 -2.06990134 -15.35268230
0.00037906 0.00047157 -0.00065563
-0.00909120 0.04236264 0.01820569
-12.22821375 1.08892306 -7.01096750
0.00037814 0.00015196 0.00032208
0.02551615 0.01873399 0.00156590
-11.09097922 3.61314799 -5.80505070
-0.00086574 -0.00039024 -0.00026220
0.00325581 0.01886036 0.01476190
-1.98796576 -6.28680106 14.64267135
0.00028569 -0.00046042 0.00034584
0.01541022 0.00565501 0.00437604
-0.40595064 -5.63427842 17.10306170
-0.00020941 0.00011038 0.00108348
0.00144333 -0.00445957 -0.00590253
-24.85561707 -0.48367541 -19.06318532
0.00076675 0.00042679 0.00038911
0.00372915 0.00262820 -0.01164533
-25.59296182 0.87522634 -21.64563321
-0.00001695 -0.00015511 -0.00079866
-0.00289059 0.02012186 -0.01320675
9.52097878 8.61808117 6.53184709
-0.00007557 -0.00119407 -0.00039466
0.00050856 -0.01353625 0.00340472
10.07604197 7.89225655 9.22309044
-0.00031853 0.00013298 0.00005450
-0.00533626 -0.00490025 -0.00552313
19.79760906 27.52838269 -3.99729178
0.00039247 0.00044799 0.00009697
0.00228156 -0.00061207 -0.00058480
20.25033750 30.38481062 -4.44039662
0.00058822 -0.00035222 -0.00066537
-0.00427036 0.02078461 0.00246448
6.09636118 -0.83413249 -7.03815021
0.00054142 -0.00103598 -0.00068691
-0.01039838 0.01429662 -0.00005694
7.37879981 -3.33341911 -7.15633656
0.00073389 -0.00053882 0.00025456
0.00175061 -0.01167529 0.00096555
-8.81272746 -2.22347866 12.28522185
-0.00009196 -0.00053184 0.00077983
0.02091557 0.00650491 -0.00797047
-11.05374188 -3.16903005 13.30779661
-0.00027824 -0.00079073 -0.00012493
-0.02551818 -0.00415410 0.01397248
-1.22957606 -24.23848158 15.05752632
0.00071953 -0.00019000 0.00030719
0.00118997 0.00675136 -0.01641321
-3.01723512 -22.12242475 13.96428171
-0.00030590 0.00006680 0.00110098
-0.00327572 -0.00308172 -0.00284602
-12.47034180 -8.11912312 -7.10101142
-0.00106246 -0.00069642 -0.00021480
-0.00244557 0.00966398 -0.00373095
-10.38116325 -7.38801169 -9.03783115
-0.00002267 0.00054856 0.00109431
0.04054648 0.09580114 -0.04954351
-16.21767160 -10.35100460 -15.95469447
-0.00003199 -0.00086522 -0.00040841
0.00567995 0.01951941 0.01532409
-14.22559977 -8.15331982 -16.20684965
0.00003768 -0.00000462 -0.00009407
-0.00366440 0.00387529 0.00206030
17.20947832 12.84813975 5.34952577
0.00075183 0.00045485 0.00016038
-0.00297531 -0.00289338 0.00344292
17.28820511 14.25128342 2.74285894
-0.00059520 0.00021066 0.00036903
-0.00595991 -0.00934742 0.00587279
18.43505429 -4.30175311 -15.03314645
-0.00019750 -0.00032984 0.00006046
-0.00834703 -0.00220126 0.00068102
21.00746582 -2.95288807 -15.42815034
-0.00130441 -0.00000664 0.00014280
-0.00937092 -0.04059175 0.01464550
-1.18001895 7.08096371 -13.54424328
0.00161316 -0.00088107 -0.00031148
0.00984587 0.00374982 -0.01811841
0.06266434 7.03603353 -16.31959826
-0.00060199 0.00041535 -0.00055594
-0.01265144 0.01356375 0.02504788
0.78896512 0.55092097 -15.56526740
-0.00023616 0.00021329 -0.00004371
0.00054505 0.00712677 0.00755254
2.46915314 -1.02400902 -17.26663505
0.00085219 -0.00022898 0.00031521
0.00209905 -0.00317815 0.00351935
12.25367367 22.50212560 -22.34549178
0.00072916 -0.00151785 -0.00020872
0.01336014 0.03872157 0.01587127
9.97272570 21.11280728 -23.20416655
-0.00032026 -0.00066342 -0.00054268
0.00478898 -0.00540339 -0.00308803
-9.94729668 16.05262204 -17.13240702
-0.00039219 -0.00033211 -0.00046842
0.01846586 0.01491685 -0.02235171
-10.81635147 15.40117282 -14.54903374
-0.00003037 0.00086712 -0.00028321
0.00487934 -0.00002154 0.03385084
3.10476584 18.72467529 11.41879030
-0.00010887 0.00099435 0.00017898
0.02688241 -0.02487551 -0.01421182
4.84308346 18.19047444 9.04140063
-0.00043322 0.00087981 -0.00040312
-0.00419217 -0.00575472 0.01529632
-3.98292075 -10.41083868 -3.33969736
-0.00098211 0.00002995 -0.00042809
0.04831046 -0.01589477 0.00824119
-1.32178555 -11.45047467 -1.97983815
-0.00017587 -0.00011314 -0.00031728
0.00038652 0.00393349 0.04370419
0.14560997 -7.26012648 4.91607157
-0.00004334 -0.00070515 0.00058686
-0.01033747 0.01151929 0.01014950
2.82426021 -8.42317358 4.78840242
-0.00095434 -0.00004852 0.00054155
-0.02107440 0.00773160 -0.01671444
7.98507908 1.91605951 9.10185727
-0.00068165 -0.00028662 -0.00116460
0.01313913 0.00250979 -0.00576054
9.72953934 3.71572802 7.50434893
0.00025293 0.00094013 0.00056362
-0.00568296 -0.01863892 0.01415909
-7.91071994 -8.65464195 -4.40639725
0.00001299 0.00063783 0.00020579
-0.02686704 0.00614652 -0.01876914
-7.96698831 -10.24371751 -1.83270828
0.00024938 -0.00040818 0.00047239
-0.00241180 0.01026943 -0.01978994
4.77089834 -13.58384292 -12.00456290
-0.00077984 0.00052622 -0.00061731
0.00526309 -0.00280831 0.00211815
2.44127924 -13.19464236 -13.78464842
0.00003332 -0.00013875 -0.00022416
-0.00958673 -0.00172696 0.00005888
1.33128012 -6.07963954 0.23428548
-0.00021000 0.00050718 0.00040343
-0.00352698 0.03347022 -0.02247408
-0.21517884 -3.63004049 -0.26730689
-0.00042603 -0.00036077 0.00009534
-0.00199814 -0.00405290 0.00220871
17.47892650 3.37586223 25.77719978
-0.00021025 -0.00014219 0.00010521
-0.00082997 0.00098419 -0.00248033
16.61892660 3.28104077 28.51957342
0.00051782 0.00097062 -0.00065454
0.00360198 0.02136637 -0.02282941
-10.92620381 7.27332360 -3.74693866
-0.00031705 -0.00002892 0.00116188
0.02213451 -0.00665333 -0.01269063
-8.29858600 7.01537969 -5.42397047
0.00069986 -0.00072769 0.00051169
-0.02601139 -0.00379816 0.01495512
-6.39987951 15.97833305 -9.14648711
0.00024442 -0.00040708 0.00009060
0.00583046 0.00084145 0.00167693
-4.81884906 14.35202606 -11.00666121
0.00008919 0.00037855 -0.00018782
0.00697340 -0.00030685 0.00781524
2.76178842 10.84070536 -5.69662510
-0.00016921 0.00109215 0.00013688
0.00114880 -0.01415790 0.00716823
1.42499330 13.09016442 -6.96179010
0.00043896 -0.00024052 -0.00021449
-0.00728579 0.00973985 0.00265997
-2.66235092 11.10436765 -14.21027122
0.00103010 0.00035014 -0.00017162
0.03514987 -0.02036380 -0.00894305
-5.26774932 10.57485027 -13.25941792
-0.00002556 0.00049001 0.00054556
-0.01316932 -0.01333367 0.00298738
4.41353597 7.75204304 19.06660839
0.00048347 -0.00085428 -0.00051654
-0.00753301 -0.00682335 -0.01281180
2.01565050 6.97329584 17.44894767
0.00057570 -0.00052915 0.00075565
0.00538630 0.00056113 0.00343173
-13.47389991 8.71459519 -8.96855636
-0.00125388 -0.00028416 -0.00050550
-0.03574039 -0.00727644 0.01192388
-16.33811879 8.42595410 -7.56022276
-0.00000966 0.00024888 0.00073950
0.01281923 -0.00586431 0.01225344
5.17212301 10.46180191 0.43770374
-0.00156291 -0.00016645 0.00104409
-0.01653514 -0.02224352 -0.00005019
2.31664902 10.08310704 1.24275544
0.00114159 0.00126333 -0.00139461
-0.01249684 -0.00335508 0.00209832
14.32404647 -23.79382307 -25.59324507
0.00008121 0.00021057 -0.00015086
0.00908447 -0.00306148 -0.00213384
15.03094155 -24.23539037 -28.30859352
0.00079515 -0.00128634 0.00085591
0.00384466 -0.00229269 0.00053136
4.33331591 3.44633411 -0.78335126
-0.00042094 0.00060782 0.00104898
-0.00315624 0.01116061 0.00581963
5.17197620 5.89505526 0.73395741
0.00108526 0.00001669 0.00127107
0.00463625 -0.02489881 -0.00915521
17.37887637 -3.59925082 -0.51233442
0.00114634 -0.00016750 -0.00017669
-0.00221654 -0.02391363 0.01166899
16.28361373 -6.44288352 -0.89378242
-0.00104663 0.00073810 -0.00075904
0.01806097 0.02240381 0.01324793
-6.25436618 2.78979667 -1.83719765
-0.00080024 0.00011213 -0.00009012
-0.06737213 0.01997975 0.03306385
-5.06372789 1.19699537 -3.78432976
0.00055408 0.00028394 -0.00086817
-0.00195880 -0.01328451 -0.00489888
2.54664633 2.85524216 -11.29342940
0.00023700 -0.00007917 -0.00014312
-0.01513790 0.00081853 -0.01825751
0.23128371 1.56391642 -10.47282557
0.00077313 -0.00125125 0.00100789
-0.01935748 -0.01904126 0.01004427
17.05524707 8.12464901 -7.71168028
-0.00021502 0.00072479 0.00017623
0.01180699 -0.03342282 -0.01801179
16.08146149 10.50877753 -7.01045815
-0.00098056 -0.00029135 0.00065049
-0.01105484 0.01906917 0.00929563
-6.85775980 0.48244678 11.03567378
-0.00105113 0.00084237 0.00054098
-0.00017047 0.01105269 0.01502330
-7.94921968 1.60876341 13.70140677
-0.00121210 -0.00060272 0.00127118
0.00273294 -0.00337323 -0.00874298
-2.21306555 -16.75172711 14.02102085
0.00038131 0.00007829 0.00092472
-0.00950333 0.00001871 -0.00063359
-4.71312945 -17.56353536 12.40204517
-0.00137845 -0.00051762 -0.00082249
0.01943341 0.00756638 0.01120085
6.81496615 -6.29319368 -4.50013974
0.00011036 0.00040994 -0.00034509
0.01533548 0.01345092 0.02414445
5.49933319 -7.88923072 -6.21295945
-0.00029563 0.00014279 -0.00030492
0.00171802 -0.00612884 -0.01203018
-2.82220797 -11.46452215 2.20502200
0.00024015 0.00008926 -0.00049704
0.01194487 -0.00351580 -0.00782301
-0.26633259 -10.11881935 2.31023593
-0.00024133 0.00037702 -0.00107041
-0.00815397 -0.01847059 -0.00841650
-14.67384490 -0.89517176 5.89214601
-0.00061979 -0.00009963 0.00064847
-0.00177384 0.00281400 0.00349273
-15.90265920 -1.90618594 3.51814241
0.00009800 -0.00003441 0.00109575
0.00225339 0.00367535 -0.00771837
-9.55165398 4.72053047 -23.39699169
0.00014009 -0.00075516 -0.00040480
0.00098255 -0.00182965 0.00096264
-8.98491312 4.41917228 -20.52416256
-0.00007927 -0.00085829 -0.00111536
0.00099112 0.01521287 0.01737947
1.93605233 1.12092433 -3.10806604
0.00116226 -0.00040303 0.00047098
-0.00114387 -0.00497921 -0.02567671
0.57773515 0.34184934 -0.55797755
0.00006556 -0.00003932 0.00070567
0.03565423 0.02234340 -0.01840135
14.05800107 9.41553775 3.54344410
-0.00026204 -0.00085027 -0.00035824
-0.00435865 0.00617787 -0.00331548
11.24360880 9.00442745 2.42022359
-0.00012627 -0.00078532 -0.00029510
0.03190973 -0.00234216 0.02193185
5.42271208 -9.20750749 -10.57049950
-0.00007841 -0.00020203 0.00006972
-0.00058843 0.00633582 -0.00734711
-13.01198898 10.41293197 21.23947593
0.00006433 -0.00002946 0.00011366
0.00690093 -0.00008491 -0.00187558
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06677731
0.31806780
423.80939672
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1860248783
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3841319558 (a.u.)
total exchange computation time: 3.3629369736 s
-154.2151936049
-931.38351684
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1860248783
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3839020575 (a.u.)
total exchange computation time: 3.3642020226 s
-154.2181024398
Anderson extrapolation: theta=1.3691368536 (1.3691368536)
-931.38378699
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1860248783
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3834995727 (a.u.)
total exchange computation time: 3.3616251945 s
-154.2224954407
Anderson extrapolation: theta=0.0639021289 (0.0639021289)
-931.38395382
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1860248783
ExchangeOperator: bisection time: 1.609 s
total exchange = -52.3833999789 (a.u.)
total exchange computation time: 3.3624699116 s
-154.2231885502
Anderson extrapolation: theta=2.2441261663 (2.0000000000)
-931.38396259
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1860248783
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.3831713293 (a.u.)
total exchange computation time: 3.3637878895 s
-154.2246762413
Anderson extrapolation: theta=0.3702766681 (0.3702766681)
-931.38397390
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1860248783
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3830803371 (a.u.)
total exchange computation time: 3.3642039299 s
-154.2251789872
Anderson extrapolation: theta=1.1467921057 (1.1467921057)
-931.38397693
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1860248783
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.3829924164 (a.u.)
total exchange computation time: 3.3654267788 s
-154.2255682677
Anderson extrapolation: theta=0.4631986370 (0.4631986370)
-931.38397938
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1860248783
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3829723479 (a.u.)
total exchange computation time: 3.3633019924 s
-154.2255526624
Anderson extrapolation: theta=0.8493333904 (0.8493333904)
-931.38398023
237.454435 31.076215 201.715798
-142.480064 489.823557 -805.574633
94.974371 520.899773 -603.858835
803.120288
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1860248783
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3829730482 (a.u.)
total exchange computation time: 3.3660509586 s
678.96242172
-1083.87571317
89.79721886
-389.04350363
-174.84143140
78.38210270
551.60419304
0.00000000
-931.38398067
-8.77634989 -3.93280355 3.62229520
-0.00007168 -0.00005495 0.00022910
-0.02479286 0.01236252 -0.03322860
-17.83185116 4.45372484 6.51058615
0.00008712 -0.00022782 -0.00009100
-0.00811416 -0.02712475 -0.02195481
-15.55558678 -0.88952965 0.46492470
0.00013950 0.00022075 -0.00020214
-0.00572036 0.03382901 0.00642185
3.28174583 -20.64706093 15.57343226
-0.00055860 0.00020382 -0.00026770
-0.02098249 -0.00466193 -0.00573139
7.60512972 15.98914624 -1.34008069
0.00036471 0.00006479 0.00004543
0.00008739 -0.00934696 0.03607101
-9.84739432 9.52060871 11.10186118
-0.00023293 -0.00018233 -0.00014049
-0.00419478 -0.00222780 -0.01444245
-8.26549674 -0.48648079 -14.25428621
-0.00028884 0.00016010 -0.00022722
-0.01765106 -0.02355085 -0.02396996
-10.80146403 2.35289317 -7.03334693
0.00004578 0.00021621 0.00027417
-0.02158604 -0.05521648 -0.03270550
-0.28979371 -5.74350495 15.26717845
-0.00024983 -0.00000443 0.00020780
-0.01720717 -0.00114093 0.01215855
-25.61745998 -0.67226065 -20.73171716
-0.00043357 -0.00025617 0.00006571
0.01001868 -0.01507459 0.02096371
8.86549603 7.50433752 7.85797905
0.00008549 0.00007150 -0.00002405
0.00958264 0.00482651 -0.00242599
20.78629863 28.71705797 -5.00205238
0.00005046 -0.00024858 -0.00012658
0.01381999 -0.02989789 0.00325356
7.73964004 -1.55097288 -7.23392953
-0.00019283 0.00014530 -0.00006463
0.01541084 -0.00924633 -0.00283771
-9.28990364 -3.49515715 13.47704007
0.00028173 0.00019053 0.00021871
-0.00266141 -0.01137940 -0.00540186
-1.28368320 -22.74659161 13.93664425
0.00011157 0.00010311 0.00015624
-0.00319985 -0.00405381 0.01851192
-11.05658088 -8.63446278 -8.18197309
0.00011422 -0.00002350 0.00024774
-0.03599957 -0.10201862 0.05249578
-15.90409966 -8.55734632 -15.50412694
0.00003702 0.00003154 0.00005850
-0.00697736 -0.02951467 -0.01598966
16.71840370 12.70157326 3.58660331
0.00042124 0.00018622 0.00002661
0.00583254 0.00872442 -0.01034693
20.18619357 -4.60991236 -14.73846955
-0.00016046 0.00001695 -0.00009046
0.02219812 0.03541816 -0.01968752
-0.44913192 8.15653195 -14.89244598
0.00030011 0.00001057 -0.00007777
-0.00163881 -0.02135796 -0.00511185
0.69200953 -0.68232060 -16.90517662
-0.00035000 0.00040717 -0.00025679
0.00309809 0.00057386 -0.00201011
11.82640685 20.99756003 -23.16348906
0.00041582 -0.00003136 0.00003254
-0.02627414 -0.05212422 -0.02112209
-11.28009971 15.24961097 -16.24263196
-0.00005071 0.00001728 -0.00027854
-0.03750135 -0.03086526 0.00403231
4.51014536 17.60142035 10.77375536
0.00042584 0.00004373 -0.00035951
-0.02766882 0.03072292 -0.00291141
-2.13980514 -11.09675266 -3.51310465
-0.00004063 0.00001007 0.00009324
-0.05537292 0.02082337 -0.05392527
1.24041326 -8.13266006 3.76921191
0.00025144 -0.00013400 0.00022804
0.03492710 0.00286188 0.01567227
9.61114745 1.97049486 8.23194774
-0.00005957 0.00028052 0.00018638
-0.01146356 0.02431083 -0.01293771
-6.94872554 -9.27470373 -3.06244449
-0.00004392 0.00038399 -0.00013585
0.02046804 -0.01610359 0.04478785
3.89181354 -12.36584234 -13.03982922
-0.00004557 0.00031955 -0.00019576
-0.00471497 0.00574784 -0.00823210
1.20971397 -4.55864357 -0.93398820
0.00017992 0.00008875 0.00014314
0.00114473 -0.02892741 0.02180663
17.04810292 4.50425256 27.13278456
0.00034483 0.00001110 -0.00017136
-0.00378103 -0.01953435 0.02249913
-9.64285328 6.06606070 -4.42812818
-0.00014004 -0.00004521 0.00021525
-0.00820325 0.02920109 0.01779946
-4.88866453 14.93378028 -9.25351011
0.00032847 0.00001861 -0.00023516
-0.00813087 -0.00118151 -0.00391636
2.99844743 12.18872671 -6.86554968
-0.00022892 0.00005393 -0.00006051
0.00987385 0.01368843 -0.01279100
-4.16934885 11.90472422 -13.75589084
0.00011529 0.00016090 0.00008596
-0.01775725 0.02957798 0.00811187
3.86127342 7.25860950 17.34957334
-0.00001074 0.00016928 -0.00012158
-0.00302392 0.00333674 0.00786154
-15.36863443 8.70589042 -9.08292018
-0.00023851 -0.00015716 -0.00013014
0.01997948 0.00730575 -0.01531033
3.73634355 9.22641144 0.52958928
0.00008053 0.00000168 0.00016412
0.03450843 0.00809281 -0.00684848
15.84636197 -24.03675407 -26.67571228
0.00005472 -0.00006579 -0.00013133
-0.01429651 -0.00007215 0.01181487
5.72859271 4.16759811 0.18014618
-0.00022654 -0.00009450 0.00017741
0.00055160 0.02609744 0.01226464
17.20697696 -5.28168399 0.31033719
0.00030638 0.00002609 -0.00022766
-0.01941228 -0.00793842 -0.02970017
-4.71966832 2.44175197 -2.50030733
-0.00021648 -0.00014955 0.00040502
0.07430013 0.00182515 -0.02394264
0.82582316 2.46586814 -11.90305026
-0.00022505 0.00032164 -0.00023367
0.03121326 0.00947740 0.00516494
15.42325824 8.86481021 -7.37653900
-0.00009792 -0.00018279 0.00028412
-0.00034989 0.02016118 0.01145190
-6.41184496 0.98889245 12.79149161
-0.00017367 0.00009358 -0.00000660
-0.00760559 0.00663618 -0.00489498
-3.53365617 -16.18476093 12.87303850
-0.00010640 -0.00001208 0.00019168
-0.00921088 -0.01776286 -0.02348960
7.06118516 -6.86511876 -6.20801604
-0.00002011 0.00035244 -0.00038274
-0.02453486 -0.00667481 -0.00666060
-1.11217919 -11.60587287 1.43938712
0.00001276 -0.00017794 -0.00037549
-0.00877217 0.01359117 0.01452048
-16.16459385 -1.77748177 5.33947464
0.00048906 0.00001480 0.00037269
-0.00893323 -0.00682004 0.01379981
-9.16710262 3.51023987 -22.05981401
-0.00023145 -0.00018306 -0.00029252
0.00183749 -0.01276946 -0.01894055
2.11210773 1.18508259 -1.33503870
-0.00043540 -0.00027415 -0.00022715
-0.03826342 -0.01882717 0.04595295
12.50071772 8.51352853 3.80455529
0.00023884 -0.00011766 -0.00013935
-0.03653796 -0.00546729 -0.02237242
-7.36979410 -4.30023811 2.54652092
0.00146990 -0.00107060 0.00060821
0.02927093 -0.00446505 -0.00733278
-10.02444880 -3.75587346 2.18780981
-0.00016181 -0.00089323 0.00062727
0.01259825 0.00977159 0.02688357
-16.63306487 5.73293343 6.91452176
0.00010853 -0.00111069 -0.00063051
0.01628123 0.01160059 -0.00082984
-17.20583381 3.54030956 4.99435803
-0.00004366 0.00011726 -0.00052944
-0.00548456 0.01787123 0.02057765
-16.36586027 0.84901178 0.49830901
0.00056967 -0.00041107 0.00018502
0.02916558 -0.01947627 0.00677581
-16.92984499 -1.73398294 -0.29260770
-0.00037839 -0.00125058 -0.00098703
-0.01699687 -0.02218378 -0.01706891
1.55712187 -20.97944966 14.90540410
0.00008589 -0.00102667 0.00012041
0.01315514 -0.00325891 0.00888757
3.32791458 -18.85377388 15.86633658
0.00033375 0.00026466 0.00081144
0.00719623 0.00785844 0.00196197
8.18610367 14.20276304 -1.20173927
-0.00055894 0.00010104 0.00005815
-0.00055576 0.00702048 -0.00463055
7.29180167 16.38011462 0.46684481
-0.00079935 -0.00013110 0.00035447
0.00171148 0.00037571 -0.02742932
-8.54279644 9.55863552 12.38827939
-0.00038052 0.00032568 0.00014104
0.00713054 -0.01819097 0.00715646
-10.65212229 11.07750515 11.52280661
0.00001998 -0.00092831 -0.00031737
-0.01167807 0.01496662 0.00209733
-10.01517111 0.29914371 -14.57773987
0.00016586 0.00034661 0.00016252
0.03194701 -0.01755114 0.01063948
-8.12548369 -2.06152972 -15.36195892
0.00034037 0.00064427 -0.00058132
-0.00984892 0.04217711 0.01816892
-12.22175970 1.09177645 -7.00608825
0.00048001 0.00022582 0.00032750
0.02434917 0.01742135 0.00108729
-11.10386563 3.60787232 -5.80853136
-0.00085324 -0.00030500 -0.00019456
0.00286393 0.02286518 0.01834778
-1.98320816 -6.29353403 14.64799298
0.00034371 -0.00043835 0.00036234
0.01299154 0.00514809 0.00370108
-0.40904759 -5.63275942 17.11913299
-0.00020299 0.00009115 0.00104681
0.00169992 -0.00495358 -0.01204782
-24.84400150 -0.47719297 -19.05770549
0.00077715 0.00043604 0.00033075
0.00136134 0.00189544 -0.01692297
-25.59330471 0.87351625 -21.65801782
-0.00002917 -0.00008086 -0.00084831
-0.00308672 0.01622474 -0.01109729
9.51986088 8.59975529 6.52603149
-0.00006996 -0.00124395 -0.00038542
0.00223330 -0.01087691 0.00111810
10.07110050 7.89410106 9.22373865
-0.00033820 0.00011402 0.00003300
-0.00429464 -0.00437825 -0.00500178
19.80356609 27.53508382 -3.99585517
0.00039775 0.00044075 0.00009843
0.00030184 -0.00293180 0.00130206
20.25903001 30.38016426 -4.45030159
0.00056905 -0.00026259 -0.00065370
-0.00511314 0.02308995 0.00324425
6.10416379 -0.84923417 -7.04845568
0.00048041 -0.00096970 -0.00068512
-0.01946552 0.01814986 0.00093357
7.38986188 -3.34185911 -7.15248855
0.00074221 -0.00057812 0.00025816
0.00232017 -0.00756368 0.00079571
-8.81346588 -2.23125686 12.29667503
-0.00000227 -0.00049360 0.00073678
0.02298632 0.01221192 -0.01310396
-11.05869739 -3.18101824 13.30635087
-0.00037409 -0.00080870 -0.00006782
-0.02140039 -0.00464488 0.01398285
-1.21874665 -24.24112473 15.06163123
0.00072389 -0.00015963 0.00023759
0.00094565 0.00811716 -0.01765826
-3.02192404 -22.12151714 13.98070919
-0.00031378 0.00005259 0.00108834
-0.00058200 -0.00387540 -0.00334258
-12.48635365 -8.12927331 -7.10434770
-0.00106706 -0.00065810 -0.00023295
0.00019189 0.00909415 -0.00515510
-10.38026089 -7.37684763 -9.02293469
0.00014093 0.00093761 0.00089516
0.03953656 0.09463847 -0.04794137
-16.21797744 -10.36338476 -15.96035106
-0.00000685 -0.00077370 -0.00034277
0.00662775 0.02528164 0.01680851
-14.22514683 -8.15327036 -16.20819756
0.00002240 0.00001097 -0.00008528
-0.00381591 0.00375496 0.00224179
17.22066462 12.85487387 5.35203702
0.00073824 0.00044200 0.00017146
-0.00367862 -0.00340009 0.00197887
17.27909448 14.25415695 2.74857433
-0.00061708 0.00017724 0.00038944
-0.00474899 -0.00701282 0.00411892
18.43183606 -4.30676813 -15.03221872
-0.00023263 -0.00033957 0.00006361
-0.00885192 -0.00256148 0.00086256
20.98761254 -2.95423151 -15.42555948
-0.00133891 -0.00016859 0.00020108
-0.00752040 -0.03868392 0.01388046
-1.15551978 7.06786263 -13.54947061
0.00165108 -0.00086597 -0.00038267
0.00871306 0.00364133 -0.01673380
0.05324684 7.04267936 -16.32716980
-0.00065224 0.00047018 -0.00045588
-0.01194644 0.01327923 0.02392937
0.78543939 0.55433867 -15.56569169
-0.00023413 0.00024212 -0.00001319
0.00045211 0.00698580 0.00739093
2.48200033 -1.02754114 -17.26179912
0.00084469 -0.00023857 0.00033273
-0.00577300 -0.00151564 0.00506030
12.26502053 22.48054438 -22.34813626
0.00078766 -0.00134026 -0.00013270
0.01527371 0.04821046 0.02134386
9.96806848 21.10269042 -23.21240138
-0.00028995 -0.00068379 -0.00055347
0.01004864 -0.00456829 -0.00219595
-9.95261368 16.04809746 -17.14011818
-0.00031330 -0.00026921 -0.00056133
0.02014924 0.01587519 -0.02312912
-10.81665756 15.41417891 -14.55224461
-0.00001119 0.00086737 -0.00014780
0.00451047 0.00014322 0.03243352
3.10395657 18.73882832 11.42103951
0.00000955 0.00088491 0.00011763
0.03108416 -0.02869937 -0.01581880
4.83645666 18.20349529 9.03582254
-0.00044935 0.00085464 -0.00033969
-0.00370004 -0.00656776 0.01575224
-3.99617208 -10.41087643 -3.34586617
-0.00077898 -0.00003658 -0.00039383
0.05112353 -0.01667210 0.00853046
-1.32441178 -11.45205130 -1.98325808
-0.00017239 -0.00009839 -0.00013320
0.00131891 0.00329006 0.04640112
0.14464317 -7.27035080 4.92518550
-0.00008504 -0.00065915 0.00062558
-0.01007678 0.01099917 0.00880185
2.80929935 -8.42366453 4.79601345
-0.00103062 -0.00001938 0.00047738
-0.01626674 0.00653336 -0.01469820
7.97525690 1.91183715 9.08421169
-0.00062912 -0.00027578 -0.00118711
0.01257670 0.00279527 -0.00525536
9.73315915 3.72925876 7.51323709
0.00022896 0.00085923 0.00062322
-0.00605177 -0.02096243 0.01501534
-7.91134834 -8.64488610 -4.40388553
-0.00009931 0.00066345 0.00012716
-0.02810342 0.00639170 -0.01972336
-7.96332149 -10.24952554 -1.82622890
0.00024306 -0.00036142 0.00038544
-0.00068105 0.01262237 -0.02277076
4.75936195 -13.57603566 -12.01375761
-0.00075205 0.00050730 -0.00060189
0.00834495 -0.00645534 0.00542673
2.44148522 -13.19677652 -13.78800900
-0.00000438 -0.00014374 -0.00022381
-0.00886635 -0.00071441 0.00011366
1.32802198 -6.07100616 0.23964830
-0.00022297 0.00064057 0.00031278
-0.00282102 0.03182518 -0.02189964
-0.22163054 -3.63557627 -0.26580916
-0.00043150 -0.00037772 0.00010238
-0.00067983 -0.00424278 0.00123761
17.47574727 3.37375952 25.77870188
-0.00021266 -0.00014025 0.00009168
-0.00034624 -0.00003579 -0.00414227
16.62680429 3.29625482 28.50905583
0.00052944 0.00104962 -0.00073747
0.00208731 0.01730275 -0.01776930
-10.93028134 7.27268588 -3.72989929
-0.00022211 -0.00005809 0.00110713
0.02433866 -0.00762548 -0.01410980
-8.28888509 7.00434796 -5.41583678
0.00059167 -0.00074174 0.00057320
-0.02695187 -0.00307806 0.01515272
-6.39603456 15.97225262 -9.14507673
0.00026640 -0.00040213 0.00009765
0.00493091 0.00158009 0.00177331
-4.81729755 14.35769491 -11.00923899
0.00011805 0.00037614 -0.00015829
0.00715461 -0.00087144 0.00663804
2.75928542 10.85665377 -5.69435229
-0.00016579 0.00102608 0.00017333
0.00052494 -0.01818465 0.01067625
1.43135448 13.08685501 -6.96492597
0.00039947 -0.00019494 -0.00020451
-0.01204862 0.01257402 0.00222628
-2.64582239 11.10899576 -14.21311957
0.00115874 0.00027233 -0.00020334
0.02782455 -0.01772382 -0.00658454
-5.26853622 10.58179188 -13.25114294
-0.00007764 0.00043468 0.00055725
-0.01232623 -0.01375040 0.00273158
4.42055724 7.73901975 19.05846766
0.00045539 -0.00088000 -0.00056291
-0.00621216 -0.00576755 -0.00988452
2.02445104 6.96537577 17.46038759
0.00059222 -0.00052719 0.00076863
0.00270058 0.00040117 0.00292403
-13.49380334 8.71010979 -8.97577344
-0.00138583 -0.00031370 -0.00045572
-0.02885127 -0.00718272 0.01244137
-16.33787083 8.42950765 -7.54875481
0.00004639 0.00022595 0.00078167
0.01461583 -0.00536013 0.00839001
5.14817272 10.45862355 0.45336348
-0.00161456 -0.00024830 0.00104106
-0.00874881 -0.01782098 -0.00142933
2.33338995 10.10195419 1.22190061
0.00107708 0.00125366 -0.00138029
-0.01908343 -0.00138079 0.00491279
14.32554295 -23.79075831 -25.59557333
0.00011825 0.00019819 -0.00015918
0.00904941 -0.00299939 -0.00194036
15.04298655 -24.25475577 -28.29573855
0.00080378 -0.00129732 0.00084356
0.00038263 -0.00307826 -0.00657736
4.32690514 3.45579336 -0.76743823
-0.00044063 0.00064995 0.00106858
-0.00648496 0.00946389 0.00377430
5.18839716 5.89454260 0.75274290
0.00110316 -0.00008606 0.00123212
0.00412672 -0.02539444 -0.00990933
17.39600354 -3.60249618 -0.51462717
0.00113667 -0.00026252 -0.00012921
-0.00251613 -0.02259595 0.01157107
16.26846777 -6.43112556 -0.90476212
-0.00096904 0.00083142 -0.00070065
0.01991788 0.02327965 0.01533568
-6.26843425 2.79209087 -1.83753626
-0.00106598 0.00019049 0.00003933
-0.06270875 0.01837820 0.03030063
-5.05547676 1.20084738 -3.79750236
0.00054612 0.00023540 -0.00088162
-0.00193639 -0.01047724 -0.00168601
2.54973751 2.85407970 -11.29613560
0.00017150 -0.00007575 -0.00021956
-0.01692403 0.00085477 -0.01916161
0.24228742 1.54456425 -10.45739948
0.00070089 -0.00131649 0.00102870
-0.01600222 -0.01289423 0.00014407
17.05238359 8.13449668 -7.70958876
-0.00016112 0.00058547 0.00010109
0.01457881 -0.03477762 -0.01877177
16.06641438 10.50499164 -7.00041591
-0.00102430 -0.00020903 0.00068973
-0.01035849 0.02122635 0.00991310
-6.87353199 0.49542095 11.04424878
-0.00105202 0.00088479 0.00059587
-0.00026565 0.00971553 0.01184972
-7.96731745 1.59961923 13.72020652
-0.00118973 -0.00061948 0.00122949
0.00821622 -0.00482885 -0.01166363
-2.20763707 -16.75055214 14.03487220
0.00033391 0.00008005 0.00091521
-0.01370004 0.00084162 -0.00401888
-4.73321074 -17.57106778 12.39005110
-0.00128671 -0.00047524 -0.00077067
0.02547672 0.01317645 0.01416322
6.81709149 -6.28663238 -4.50457624
0.00017298 0.00046385 -0.00024740
0.01531769 0.01293725 0.02367605
5.49495145 -7.88727665 -6.21790190
-0.00028514 0.00012061 -0.00035355
0.00341642 -0.00473137 -0.01177533
-2.81823962 -11.46329094 2.19732663
0.00028568 0.00007500 -0.00052780
0.01034110 -0.00346373 -0.00723422
-0.27020237 -10.11372997 2.29392189
-0.00027445 0.00030023 -0.00110446
-0.00805857 -0.01912218 -0.00825035
-14.68319612 -0.89658004 5.90198012
-0.00061532 -0.00008145 0.00066636
0.00396011 0.00608472 0.00526276
-15.90112021 -1.90658948 3.53434221
0.00010927 -0.00002026 0.00105407
0.00326655 0.00325295 -0.01268816
-9.54952251 4.70914696 -23.40303413
0.00014278 -0.00075822 -0.00040524
0.00033204 0.00033511 -0.00117804
-8.98607182 4.40676411 -20.54036034
-0.00007334 -0.00078650 -0.00102927
0.00191160 0.01992976 0.02476078
1.95345119 1.11472627 -3.10178811
0.00115402 -0.00042527 0.00035215
-0.00289125 -0.00590725 -0.03249216
0.57981110 0.34194426 -0.54795642
0.00020908 0.00005071 0.00062788
0.03460004 0.02172601 -0.01967766
14.05393695 9.40297300 3.53796886
-0.00026992 -0.00081955 -0.00037369
0.00050069 0.00886100 -0.00424835
11.24269261 8.99257589 2.41646918
0.00000562 -0.00079446 -0.00020458
0.03264845 -0.00213432 0.02237904
5.42153431 -9.21052087 -10.56947343
-0.00007860 -0.00019974 0.00006705
-0.00045511 0.00645515 -0.00759796
-13.01101207 10.41248988 21.24117752
0.00006594 -0.00002950 0.00011321
0.00702576 -0.00024500 -0.00195710
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06685140
0.31712927
422.55884752
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1860248783
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3895970470 (a.u.)
total exchange computation time: 3.3630290031 s
-154.2343715767
-931.38290189
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1860248783
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3893183063 (a.u.)
total exchange computation time: 3.3638379574 s
-154.2376647529
Anderson extrapolation: theta=1.3514280992 (1.3514280992)
-931.38316973
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1860248783
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3888639141 (a.u.)
total exchange computation time: 3.3637840748 s
-154.2424914717
Anderson extrapolation: theta=0.0566566166 (0.0566566166)
-931.38333077
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1860248783
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3887723288 (a.u.)
total exchange computation time: 3.3636491299 s
-154.2431539533
Anderson extrapolation: theta=2.0773377302 (2.0000000000)
-931.38333783
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1860248783
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3885632448 (a.u.)
total exchange computation time: 3.3649780750 s
-154.2445788243
Anderson extrapolation: theta=0.2739721190 (0.2739721190)
-931.38334616
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1860248783
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3884972443 (a.u.)
total exchange computation time: 3.3617370129 s
-154.2449543434
Anderson extrapolation: theta=1.5499336707 (1.5499336707)
-931.38334800
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1860248783
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3884087168 (a.u.)
total exchange computation time: 3.3642010689 s
-154.2453767622
Anderson extrapolation: theta=0.3301712025 (0.3301712025)
-931.38334995
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1860248783
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.3883952559 (a.u.)
total exchange computation time: 3.3609890938 s
-154.2453575851
Anderson extrapolation: theta=1.1180969510 (1.1180969510)
-931.38335047
237.410411 30.975897 201.785908
-142.493259 489.795950 -805.576453
94.917152 520.771847 -603.790545
802.979205
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1860248783
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.3883928866 (a.u.)
total exchange computation time: 3.3632869720 s
679.04911965
-1084.05669265
89.78830988
-388.92048296
-174.85521183
78.47989360
551.60419304
0.00000000
-931.38335081
-8.77752078 -3.93358011 3.62560355
-0.00008209 -0.00004924 0.00021124
-0.01568715 0.00985533 -0.03621433
-17.83057564 4.45020299 6.50913644
0.00008217 -0.00024283 -0.00010287
-0.01115137 -0.03126019 -0.02418328
-15.55351636 -0.88608793 0.46191744
0.00013472 0.00023534 -0.00020016
-0.01286367 0.02292586 0.00124653
3.27328593 -20.64402168 15.56939462
-0.00056806 0.00020173 -0.00027010
-0.01581917 -0.00342881 -0.00361124
7.61060067 15.99008205 -1.33926010
0.00036434 0.00006062 0.00006449
-0.00150488 -0.00686380 0.03803688
-9.85090443 9.51786509 11.09969818
-0.00023408 -0.00018477 -0.00014795
-0.00029076 -0.00723693 -0.01459630
-8.26989750 -0.48417019 -14.25778697
-0.00029731 0.00014813 -0.00023917
-0.01526531 -0.02296808 -0.02251117
-10.80086055 2.35592327 -7.02936046
0.00003523 0.00018741 0.00025674
-0.01946510 -0.05674375 -0.03511010
-0.29360757 -5.74357580 15.27034231
-0.00025797 -0.00000467 0.00021569
-0.01444413 0.00019690 0.01854165
-25.62392490 -0.67616136 -20.73065069
-0.00042776 -0.00026257 0.00007706
0.01256161 -0.00980443 0.02316820
8.86681533 7.50542867 7.85760889
0.00008966 0.00007311 -0.00002486
0.00663714 0.00143678 -0.00072032
20.78710877 28.71321389 -5.00393857
0.00005826 -0.00026374 -0.00012547
0.01652217 -0.02905588 0.00106206
7.73680708 -1.54882912 -7.23490992
-0.00018277 0.00013853 -0.00006624
0.02370151 -0.01704473 -0.00342700
-9.28568801 -3.49234313 13.48029983
0.00027866 0.00018341 0.00021716
-0.00926669 -0.01631456 -0.00059840
-1.28202195 -22.74506060 13.93905921
0.00010932 0.00010088 0.00016604
-0.00557672 -0.00460274 0.01961804
-11.05500638 -8.63520878 -8.17805444
0.00009615 -0.00007412 0.00027375
-0.03428327 -0.09482921 0.04862045
-15.90357133 -8.55698711 -15.50331107
0.00003328 0.00001520 0.00004997
-0.00753942 -0.03399853 -0.01720861
16.72474474 12.70440024 3.58696254
0.00042409 0.00019010 0.00002215
0.00528237 0.00636227 -0.00698869
20.18387234 -4.60952145 -14.73990235
-0.00014958 0.00003453 -0.00010032
0.02010008 0.03293849 -0.01866925
-0.44463659 8.15660818 -14.89363227
0.00029932 -0.00000012 -0.00008039
-0.00143606 -0.02023530 -0.00507772
0.68677155 -0.67621090 -16.90903630
-0.00034647 0.00040716 -0.00025807
0.01063004 -0.00061016 -0.00296123
11.83254280 20.99688860 -23.16308246
0.00040065 -0.00006042 0.00002021
-0.03272564 -0.06088725 -0.02682360
-11.28100507 15.24975117 -16.24679457
-0.00007007 0.00000125 -0.00027565
-0.03775528 -0.03146734 0.00721764
4.51642623 17.60219484 10.76835154
0.00041063 0.00006046 -0.00036071
-0.03148239 0.03432407 -0.00178453
-2.14062811 -11.09652123 -3.51191405
-0.00006963 0.00002098 0.00006509
-0.05740296 0.02156799 -0.05553983
1.24431965 -8.13465907 3.77269292
0.00026776 -0.00013200 0.00023582
0.02851870 0.00491927 0.01460208
9.61020967 1.97479642 8.23469360
-0.00006522 0.00029342 0.00017949
-0.01049890 0.02587042 -0.01386714
-6.94930542 -9.26900594 -3.06430952
-0.00003367 0.00037523 -0.00011227
0.01941524 -0.01797237 0.04691020
3.89111176 -12.36102695 -13.04279745
-0.00004900 0.00032309 -0.00020089
-0.00861359 0.00801490 -0.01169117
1.21241714 -4.55742391 -0.93175703
0.00017996 0.00007455 0.00015430
-0.00095989 -0.02628087 0.02159982
17.05326081 4.50434371 27.13030090
0.00034324 0.00000254 -0.00016094
-0.00242109 -0.01377044 0.01802077
-9.64498556 6.06549524 -4.42483076
-0.00014459 -0.00003025 0.00022475
-0.00948404 0.02894708 0.01914422
-4.88376890 14.93405481 -9.25705259
0.00032449 0.00001795 -0.00023684
-0.00733547 -0.00136577 -0.00263739
2.99505178 12.18958851 -6.86650667
-0.00022256 0.00006119 -0.00006774
0.01484159 0.01451911 -0.01532681
-4.16768792 11.90725179 -13.75457022
0.00010797 0.00017528 0.00008955
-0.01070735 0.02633188 0.00586669
3.86110063 7.26116155 17.34777999
-0.00001189 0.00017078 -0.00011826
-0.00142442 0.00250060 0.00505575
-15.37213495 8.70356119 -9.08493138
-0.00023081 -0.00015357 -0.00013709
0.00996298 0.00665429 -0.01172117
3.73768465 9.22646782 0.53202464
0.00009752 0.00000406 0.00016038
0.03154223 0.00118779 -0.00769660
15.84712761 -24.03774115 -26.67763673
0.00004838 -0.00006559 -0.00012350
-0.01034983 0.00083880 0.01867047
5.72519670 4.16628126 0.18285465
-0.00022529 -0.00008073 0.00018436
0.00431037 0.02746660 0.01477176
17.21149773 -5.28132328 0.30680770
0.00029598 0.00002140 -0.00024313
-0.02101072 -0.01028317 -0.03043871
-4.72262895 2.43951580 -2.49432434
-0.00018034 -0.00014877 0.00039296
0.06625270 0.00119133 -0.02295424
0.82256781 2.47072933 -11.90653540
-0.00020954 0.00032488 -0.00022842
0.02908669 0.00313161 0.01524796
15.42178809 8.86214611 -7.37223297
-0.00009878 -0.00017264 0.00028998
-0.00301124 0.01932073 0.01132621
-6.41447939 0.99032173 12.79137372
-0.00017880 0.00009772 -0.00000746
-0.01232331 0.00944893 0.00155416
-3.53528763 -16.18501070 12.87582312
-0.00011151 -0.00002259 0.00017974
-0.01066304 -0.02307458 -0.02295000
7.06078890 -6.85985796 -6.21378282
-0.00003319 0.00034881 -0.00038587
-0.02632703 -0.00742804 -0.00552811
-1.11202157 -11.60848962 1.43381073
0.00000869 -0.00017092 -0.00036827
-0.00707614 0.01373534 0.01358618
-16.15729243 -1.77728602 5.34511825
0.00048274 0.00001053 0.00038044
-0.01562486 -0.00980741 0.01631828
-9.17056725 3.50744468 -22.06427481
-0.00023057 -0.00019113 -0.00030354
0.00157954 -0.01859345 -0.02394170
2.10542907 1.18089766 -1.33826866
-0.00045415 -0.00028322 -0.00020191
-0.03462770 -0.01641908 0.05218567
12.50415944 8.51174255 3.80237870
0.00021872 -0.00012137 -0.00015057
-0.04172219 -0.00894801 -0.02123514
-7.34684866 -4.31643395 2.55541931
0.00157185 -0.00108375 0.00058715
0.02063686 -0.00197266 -0.00297594
-10.02648984 -3.76897250 2.19804268
-0.00011025 -0.00085284 0.00073298
0.01263889 0.01000092 0.02486185
-16.63093797 5.71662848 6.90503867
0.00018252 -0.00105424 -0.00063013
0.01993570 0.01603474 0.00101850
-17.20665676 3.54261613 4.98704692
-0.00006733 0.00018968 -0.00044454
-0.00610349 0.01757583 0.02098464
-16.35642156 0.84224889 0.50129197
0.00068340 -0.00048413 0.00021118
0.02650898 -0.01628765 0.00602892
-16.93604164 -1.75342146 -0.30793622
-0.00042800 -0.00132595 -0.00104472
-0.00728645 -0.01470792 -0.01117013
1.55881332 -20.99494963 14.90748254
0.00013309 -0.00103674 0.00015509
0.00995143 -0.00166798 0.00808967
3.33314137 -18.84956318 15.87856826
0.00035977 0.00029147 0.00081705
0.00554165 0.00526445 0.00078548
8.17770249 14.20449382 -1.20100897
-0.00055936 0.00012580 0.00003957
0.00035230 0.00509837 -0.00446254
7.27986380 16.37815958 0.47132133
-0.00079075 -0.00013063 0.00023757
0.00250015 -0.00014627 -0.02979581
-8.54828567 9.56296333 12.39061429
-0.00035219 0.00025022 0.00016882
0.00673584 -0.01874970 0.00644128
-10.65218044 11.06403910 11.51811036
-0.00003429 -0.00085553 -0.00030683
-0.01488518 0.02066298 0.00306004
-10.01170427 0.30380501 -14.57497600
0.00029241 0.00027555 0.00020399
0.03000068 -0.01723079 0.00966123
-8.12067995 -2.05057323 -15.37012204
0.00029886 0.00081450 -0.00050829
-0.01047153 0.04115354 0.01758276
-12.21381337 1.09569753 -7.00114237
0.00057575 0.00029311 0.00033099
0.02251356 0.01551987 0.00061791
-11.11657651 3.60399796 -5.81088754
-0.00084201 -0.00020509 -0.00011402
0.00263387 0.02604028 0.02107619
-1.97765435 -6.29995148 14.65354144
0.00039104 -0.00041868 0.00037579
0.01017690 0.00448092 0.00288584
-0.41204036 -5.63154401 17.13446592
-0.00019562 0.00007000 0.00098634
0.00190861 -0.00539869 -0.01755178
-24.83230250 -0.47059436 -19.05326280
0.00077832 0.00044228 0.00025220
-0.00079141 0.00116284 -0.02152981
-25.59383678 0.87280052 -21.67108254
-0.00004227 -0.00002360 -0.00088873
-0.00332650 0.01180228 -0.00868569
9.51887985 8.58076281 6.52028441
-0.00005716 -0.00128270 -0.00038594
0.00403334 -0.00809343 -0.00137113
10.06589583 7.89567723 9.22408031
-0.00035330 0.00009736 0.00001401
-0.00309273 -0.00377955 -0.00428959
19.80954162 27.54160528 -3.99433876
0.00039485 0.00042401 0.00010776
-0.00172251 -0.00526596 0.00326232
20.26740915 30.37693300 -4.46000774
0.00054688 -0.00016493 -0.00063933
-0.00573955 0.02471265 0.00379235
6.11077343 -0.86322352 -7.05870393
0.00038307 -0.00088839 -0.00067956
-0.02818267 0.02165428 0.00178964
7.40106614 -3.35076266 -7.14859178
0.00075259 -0.00060028 0.00026102
0.00276040 -0.00328490 0.00060615
-8.81279555 -2.23828664 12.30732511
0.00009518 -0.00043290 0.00067340
0.02471404 0.01750219 -0.01791744
-11.06496445 -3.19329110 13.30576208
-0.00045167 -0.00082845 -0.00001067
-0.01657585 -0.00502285 0.01398970
-1.20785929 -24.24327042 15.06465393
0.00072725 -0.00012448 0.00016355
0.00069603 0.00908989 -0.01858263
-3.02664863 -22.12084704 13.99693182
-0.00031070 0.00003518 0.00107361
0.00209136 -0.00464843 -0.00386454
-12.50235373 -8.13886616 -7.10799991
-0.00106108 -0.00062197 -0.00025667
0.00274000 0.00859450 -0.00645488
-10.37693548 -7.35988353 -9.01097636
0.00029440 0.00131061 0.00070990
0.03558874 0.08794918 -0.04274257
-16.21787709 -10.37421550 -15.96497752
0.00002178 -0.00066075 -0.00027163
0.00738477 0.03000697 0.01801548
-14.22492776 -8.15299077 -16.20940808
0.00000667 0.00002608 -0.00007580
-0.00388422 0.00364149 0.00240151
17.23162547 12.86139961 5.35466956
0.00072171 0.00042700 0.00017662
-0.00441146 -0.00393783 0.00054680
17.26969279 14.25660069 2.75454215
-0.00063394 0.00015401 0.00040237
-0.00350716 -0.00435853 0.00221268
18.42807534 -4.31194014 -15.03123814
-0.00026910 -0.00035088 0.00006761
-0.00899915 -0.00297378 0.00109655
20.96729837 -2.95794574 -15.42211795
-0.00136524 -0.00032098 0.00025556
-0.00536484 -0.03591304 0.01278700
-1.13048663 7.05498472 -13.55572350
0.00168411 -0.00085176 -0.00044756
0.00745515 0.00331494 -0.01502928
0.04309719 7.05013903 -16.33327479
-0.00069918 0.00052300 -0.00036171
-0.01103309 0.01257418 0.02216867
0.78194137 0.55818450 -15.56566301
-0.00023249 0.00026989 0.00001618
0.00034588 0.00660744 0.00698221
2.49449372 -1.03116615 -17.25665307
0.00080625 -0.00024146 0.00035609
-0.01303997 0.00010156 0.00637088
12.27730346 22.46191779 -22.34947266
0.00085307 -0.00112734 -0.00003603
0.01674442 0.05601782 0.02597396
9.96402710 21.09229359 -23.22077079
-0.00023913 -0.00070055 -0.00056052
0.01482964 -0.00363709 -0.00125286
-9.95669581 16.04454581 -17.14924684
-0.00022942 -0.00020350 -0.00065597
0.02091512 0.01629095 -0.02319752
-10.81668723 15.42719378 -14.55346776
0.00000588 0.00086801 -0.00002095
0.00384615 0.00017397 0.02966306
3.10505232 18.75122248 11.42231926
0.00014300 0.00076150 0.00005070
0.03424314 -0.03170817 -0.01694388
4.82960310 18.21611362 9.03120985
-0.00046326 0.00082637 -0.00027522
-0.00310906 -0.00726817 0.01580590
-4.00629025 -10.41193594 -3.35151218
-0.00056637 -0.00010554 -0.00035842
0.05295163 -0.01708671 0.00880107
-1.32695718 -11.45342629 -1.98383427
-0.00016665 -0.00008560 0.00005863
0.00148873 0.00297091 0.04750502
0.14305880 -7.27990102 4.93483886
-0.00012487 -0.00061584 0.00065796
-0.00942216 0.01020059 0.00704801
2.79334157 -8.42375508 4.80272368
-0.00108579 0.00000456 0.00042256
-0.01073831 0.00518745 -0.01213483
7.96620550 1.90778610 9.06624404
-0.00057939 -0.00026384 -0.00120730
0.01176840 0.00304960 -0.00463023
9.73640806 3.74150479 7.52304548
0.00020360 0.00077007 0.00068570
-0.00635953 -0.02267820 0.01556817
-7.91369910 -8.63473852 -4.40258257
-0.00021486 0.00068900 0.00004695
-0.02846266 0.00611543 -0.01953654
-7.95969641 -10.25456000 -1.82114505
0.00024301 -0.00030579 0.00028744
0.00065699 0.01460594 -0.02520042
4.74833698 -13.56862403 -12.02261974
-0.00071195 0.00047373 -0.00057321
0.01128381 -0.00997511 0.00861695
2.44114782 -13.19895447 -13.79136261
-0.00003875 -0.00014440 -0.00022306
-0.00795855 0.00039202 0.00025353
1.32459095 -6.06042234 0.24366898
-0.00023284 0.00076557 0.00022572
-0.00201032 0.02936348 -0.02071818
-0.22812390 -3.64137207 -0.26423558
-0.00043153 -0.00039530 0.00010540
0.00066549 -0.00436220 0.00024161
17.47254682 3.37165461 25.77995012
-0.00021314 -0.00014235 0.00007159
0.00011043 -0.00098918 -0.00569265
16.63480991 3.31252929 28.49744922
0.00053435 0.00111055 -0.00079789
0.00031444 0.01252645 -0.01180424
-10.93286724 7.27158083 -3.71372465
-0.00011930 -0.00009034 0.00104712
0.02598837 -0.00816189 -0.01526595
-8.28083596 6.99312758 -5.40677444
0.00048051 -0.00075244 0.00063481
-0.02745820 -0.00216304 0.01500440
-6.39188741 15.96626904 -9.14355768
0.00028455 -0.00039412 0.00010507
0.00395382 0.00234249 0.00186212
-4.81530757 14.36331035 -11.01140995
0.00014758 0.00037133 -0.00013393
0.00729960 -0.00148387 0.00528516
2.75681458 10.87148772 -5.69142519
-0.00016475 0.00094474 0.00022327
-0.00001453 -0.02163300 0.01376862
1.43697725 13.08431621 -6.96792539
0.00034117 -0.00013816 -0.00019627
-0.01648829 0.01521843 0.00180523
-2.62758860 11.11253765 -14.21637146
0.00125566 0.00020604 -0.00022489
0.01961781 -0.01472762 -0.00396376
-5.27007855 10.58789077 -13.24270055
-0.00012545 0.00037870 0.00056750
-0.01107573 -0.01365606 0.00228628
4.42719779 7.72564299 19.04972114
0.00043313 -0.00090125 -0.00059650
-0.00468664 -0.00463601 -0.00655703
2.03341709 6.95748029 17.47200671
0.00059756 -0.00052599 0.00077955
-0.00008601 0.00018162 0.00242128
-13.51547494 8.70518419 -8.98222803
-0.00148697 -0.00034284 -0.00040394
-0.02065616 -0.00707914 0.01290781
-16.33672711 8.43273271 -7.53677267
0.00010956 0.00020506 0.00080783
0.01630589 -0.00486749 0.00441775
5.12368626 10.45435301 0.46893562
-0.00163225 -0.00031015 0.00103256
0.00008855 -0.01245853 -0.00273520
2.34896133 10.12071671 1.20134687
0.00098675 0.00125164 -0.00135530
-0.02513186 0.00039223 0.00731983
14.32759404 -23.78787738 -25.59802052
0.00015467 0.00018611 -0.00016647
0.00877873 -0.00291241 -0.00162780
15.05505500 -24.27430983 -28.28328669
0.00079816 -0.00131190 0.00080201
-0.00313427 -0.00405854 -0.01376128
4.32009693 3.46583261 -0.75129388
-0.00047396 0.00068502 0.00107990
-0.00983085 0.00770290 0.00176550
5.20507103 5.89247361 0.77092109
0.00111876 -0.00018964 0.00119053
0.00350787 -0.02531304 -0.01044839
17.41297649 -3.60712636 -0.51621077
0.00112600 -0.00035092 -0.00008271
-0.00270959 -0.02067507 0.01119153
16.25454250 -6.41794088 -0.91480196
-0.00088468 0.00092721 -0.00063474
0.02137919 0.02360812 0.01692637
-6.28634549 2.79551139 -1.83601785
-0.00130560 0.00026058 0.00015465
-0.05459033 0.01593137 0.02615318
-5.04734431 1.20405728 -3.81077829
0.00053826 0.00019860 -0.00088147
-0.00190976 -0.00753458 0.00175922
2.55179148 2.85296963 -11.30001615
0.00009993 -0.00007196 -0.00029907
-0.01811110 0.00100136 -0.01976211
0.25231041 1.52442185 -10.44196456
0.00064173 -0.00135664 0.00100981
-0.01295522 -0.00676181 -0.00939232
17.05041359 8.14221296 -7.70864769
-0.00009758 0.00044188 0.00002327
0.01652236 -0.03551009 -0.01932050
16.05073243 10.50250664 -6.98976614
-0.00106537 -0.00011922 0.00073118
-0.00974286 0.02273405 0.01037356
-6.88932046 0.50899055 11.05355001
-0.00105350 0.00092166 0.00063708
-0.00045832 0.00833335 0.00831831
-7.98491169 1.59017911 13.73829146
-0.00114610 -0.00064144 0.00117652
0.01314322 -0.00592108 -0.01426639
-2.20304822 -16.74932560 14.04847725
0.00027029 0.00008498 0.00089256
-0.01744439 0.00157259 -0.00707099
-4.75173066 -17.57779267 12.37892504
-0.00117211 -0.00041194 -0.00070745
0.03061887 0.01780996 0.01678357
6.82015560 -6.27927821 -4.50756172
0.00023552 0.00051497 -0.00015318
0.01529328 0.01208479 0.02244448
5.49077909 -7.88561254 -6.22356601
-0.00026790 0.00010414 -0.00040088
0.00502194 -0.00332750 -0.01139329
-2.81363751 -11.46227202 2.18918791
0.00032384 0.00006099 -0.00055582
0.00833756 -0.00339705 -0.00648003
-0.27456603 -10.10981253 2.27710222
-0.00030671 0.00022164 -0.00113741
-0.00773524 -0.01934543 -0.00788011
-14.69230463 -0.89761541 5.91213676
-0.00058754 -0.00004987 0.00069155
0.00963873 0.00937620 0.00706644
-15.89938103 -1.90679365 3.54976440
0.00012462 -0.00000777 0.00099251
0.00424418 0.00286056 -0.01744412
-9.54737070 4.69778399 -23.40914877
0.00014277 -0.00075278 -0.00041363
-0.00033368 0.00232574 -0.00293201
-8.98711336 4.39557735 -20.55504063
-0.00006374 -0.00069668 -0.00091447
0.00278960 0.02403559 0.03143485
1.97067285 1.10816618 -3.09750150
0.00113929 -0.00045121 0.00020819
-0.00431817 -0.00679002 -0.03797964
0.58400755 0.34337068 -0.53914126
0.00034636 0.00013710 0.00054595
0.03260086 0.02056313 -0.02042460
14.04990351 9.39095131 3.53223327
-0.00025733 -0.00077737 -0.00039297
0.00565930 0.01178302 -0.00518613
11.24377731 8.98059354 2.41408630
0.00013919 -0.00080233 -0.00011348
0.03273448 -0.00171866 0.02221434
5.42035410 -9.21349959 -10.56848815
-0.00007874 -0.00019741 0.00006428
-0.00031214 0.00656808 -0.00784958
-13.01001070 10.41204693 21.24287230
0.00006759 -0.00002957 0.00011275
0.00713791 -0.00037312 -0.00205931
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06685918
0.31649163
421.70922629
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1855489454
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3951249514 (a.u.)
total exchange computation time: 3.3907680511 s
-154.2534764691
-931.38256157
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1855489454
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3947779498 (a.u.)
total exchange computation time: 3.3898730278 s
-154.2572440448
Anderson extrapolation: theta=1.3386846218 (1.3386846218)
-931.38282425
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1855489454
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3942313706 (a.u.)
total exchange computation time: 3.3942210674 s
-154.2627083647
Anderson extrapolation: theta=0.0501669763 (0.0501669763)
-931.38297844
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1855489454
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.3941349109 (a.u.)
total exchange computation time: 3.3912620544 s
-154.2634075722
Anderson extrapolation: theta=1.8979568209 (1.8979568209)
-931.38298394
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1855489454
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3939245015 (a.u.)
total exchange computation time: 3.3929181099 s
-154.2648598943
Anderson extrapolation: theta=0.2172811476 (0.2172811476)
-931.38298958
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1855489454
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3938671556 (a.u.)
total exchange computation time: 3.3934659958 s
-154.2651930207
Anderson extrapolation: theta=1.8857891836 (1.8857891836)
-931.38299068
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1855489454
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3937728020 (a.u.)
total exchange computation time: 3.3916051388 s
-154.2656689623
Anderson extrapolation: theta=0.2831296642 (0.2831296642)
-931.38299209
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1855489454
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3937617862 (a.u.)
total exchange computation time: 3.3932631016 s
-154.2656498911
Anderson extrapolation: theta=1.3132884811 (1.3132884811)
-931.38299245
237.380493 30.882384 201.860775
-142.503007 489.772402 -805.577681
94.877486 520.654786 -603.716906
802.843227
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1855489454
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3937604736 (a.u.)
total exchange computation time: 3.3360888958 s
679.13516204
-1084.23641401
89.77927161
-388.79823210
-174.86901981
78.57747471
551.60419304
0.00000000
-931.38299275
-8.77881268 -3.93428064 3.62863251
-0.00008768 -0.00004484 0.00019206
-0.00602566 0.00723988 -0.03839227
-17.82938614 4.44643997 6.50750015
0.00007574 -0.00025969 -0.00011565
-0.01384604 -0.03430904 -0.02554388
-15.55154518 -0.88246935 0.45891980
0.00012649 0.00024412 -0.00020082
-0.01913479 0.01121931 -0.00381658
3.26470398 -20.64100888 15.56532912
-0.00057477 0.00020038 -0.00027136
-0.01025224 -0.00184178 -0.00126365
7.61606001 15.99096491 -1.33814607
0.00036318 0.00005772 0.00008434
-0.00300334 -0.00441353 0.03916213
-9.85441679 9.51506565 11.09742257
-0.00023326 -0.00018964 -0.00015543
0.00347818 -0.01172539 -0.01449437
-8.27441602 -0.48203679 -14.26146141
-0.00030441 0.00013660 -0.00025022
-0.01233197 -0.02186694 -0.02045100
-10.80040724 2.35851561 -7.02564486
0.00002587 0.00015825 0.00023832
-0.01691074 -0.05666853 -0.03651584
-0.29753286 -5.74364512 15.27364922
-0.00026460 -0.00000421 0.00022671
-0.01131637 0.00160743 0.02429340
-25.63029290 -0.68013772 -20.72940548
-0.00042072 -0.00026619 0.00008930
0.01484914 -0.00428294 0.02444864
8.86818584 7.50653091 7.85723318
0.00009227 0.00007297 -0.00002480
0.00351596 -0.00201144 0.00094626
20.78804637 28.70914565 -5.00581656
0.00006738 -0.00027829 -0.00012543
0.01895403 -0.02751826 -0.00089778
7.73415698 -1.54681686 -7.23591675
-0.00016864 0.00012790 -0.00006811
0.03125760 -0.02430150 -0.00382358
-9.28154387 -3.48965496 13.48355496
0.00027219 0.00017388 0.00021794
-0.01590626 -0.02074344 0.00363086
-1.28040372 -22.74356509 13.94162552
0.00010586 0.00009847 0.00017634
-0.00785943 -0.00479075 0.02042406
-11.05369636 -8.63668636 -8.17376070
0.00007961 -0.00011988 0.00029701
-0.03004659 -0.08310593 0.04183506
-15.90310116 -8.55689019 -15.50262796
0.00002929 -0.00000317 0.00004088
-0.00799378 -0.03744944 -0.01812535
16.73112652 12.70727631 3.58726786
0.00042665 0.00019270 0.00001943
0.00465064 0.00375498 -0.00360287
20.18170618 -4.60887643 -14.74147918
-0.00013996 0.00005062 -0.00010959
0.01731956 0.02962375 -0.01736158
-0.44015233 8.15652831 -14.89485774
0.00029861 -0.00001009 -0.00008291
-0.00134028 -0.01853832 -0.00470508
0.68161558 -0.67010591 -16.91291882
-0.00033925 0.00040662 -0.00025972
0.01743410 -0.00148150 -0.00343332
11.83842627 20.99574744 -23.16288280
0.00038249 -0.00009340 0.00000527
-0.03788644 -0.06735349 -0.03128220
-11.28220169 15.24964860 -16.25090150
-0.00008924 -0.00001491 -0.00027102
-0.03680803 -0.03137736 0.01080945
4.52246422 17.60323412 10.76293396
0.00039369 0.00007881 -0.00036136
-0.03440518 0.03703501 -0.00072282
-2.14189392 -11.09612340 -3.51115193
-0.00009922 0.00003207 0.00003655
-0.05766203 0.02158418 -0.05546080
1.24844605 -8.13662012 3.77628657
0.00028053 -0.00012886 0.00024301
0.02112703 0.00728674 0.01333894
9.60919090 1.97929756 8.23733248
-0.00007033 0.00030698 0.00017217
-0.00938886 0.02682746 -0.01458572
-6.94973551 -9.26344680 -3.06581264
-0.00002409 0.00036576 -0.00008804
0.01783727 -0.01887553 0.04732751
3.89034353 -12.35614973 -13.04585587
-0.00005439 0.00032770 -0.00020773
-0.01236067 0.00992829 -0.01492625
1.21511291 -4.55640700 -0.92935922
0.00017891 0.00006190 0.00016520
-0.00312255 -0.02292593 0.02078789
17.05840003 4.50432862 27.12795626
0.00034242 -0.00000293 -0.00015308
-0.00077447 -0.00747688 0.01255281
-9.64719101 6.06515309 -4.42138564
-0.00014978 -0.00001560 0.00023493
-0.01069057 0.02804879 0.02043236
-4.87892987 14.93431880 -9.26061541
0.00032094 0.00001721 -0.00023783
-0.00644951 -0.00151965 -0.00121855
2.99177063 12.19056233 -6.86758191
-0.00021381 0.00006876 -0.00007614
0.01917490 0.01491074 -0.01732591
-4.16610960 11.90998249 -13.75320434
0.00010428 0.00018783 0.00009200
-0.00364399 0.02249455 0.00366430
3.86091685 7.26373290 17.34602563
-0.00001225 0.00017185 -0.00011645
-0.00000433 0.00166455 0.00195755
-15.37555861 8.70128330 -9.08703300
-0.00022852 -0.00015030 -0.00014220
-0.00106850 0.00604872 -0.00813956
3.73926909 9.22653336 0.53440062
0.00011254 0.00000278 0.00015630
0.02688710 -0.00618360 -0.00816464
15.84781340 -24.03872176 -26.67941714
0.00004410 -0.00006490 -0.00011222
-0.00628475 0.00186022 0.02515681
5.72183395 4.16517630 0.18567708
-0.00022210 -0.00006641 0.00019251
0.00809840 0.02820735 0.01692356
17.21585640 -5.28104190 0.30304338
0.00028484 0.00001550 -0.00025877
-0.02231211 -0.01266304 -0.03040802
-4.72507847 2.43728882 -2.48851844
-0.00014891 -0.00014817 0.00038161
0.05595546 0.00113473 -0.02120615
0.81953686 2.47561467 -11.90990290
-0.00019518 0.00032490 -0.00021825
0.02677709 -0.00305153 0.02429464
15.42029471 8.85963106 -7.36783955
-0.00010075 -0.00016289 0.00029576
-0.00465087 0.01857804 0.01112767
-6.41720889 0.99182392 12.79126782
-0.00018617 0.00010321 -0.00000503
-0.01633693 0.01190518 0.00791110
-3.53700136 -16.18543848 12.87843068
-0.00011726 -0.00003554 0.00016807
-0.01172339 -0.02732000 -0.02241235
7.06018953 -6.85465447 -6.21959226
-0.00004715 0.00034489 -0.00038827
-0.02797848 -0.00780812 -0.00379639
-1.11191854 -11.61100040 1.42833916
0.00000551 -0.00016392 -0.00036161
-0.00528152 0.01348069 0.01228619
-16.15011155 -1.77716593 5.35088775
0.00047308 0.00000474 0.00038939
-0.02195814 -0.01271679 0.01850740
-9.17401969 3.50450604 -22.06892033
-0.00022981 -0.00020202 -0.00031680
0.00137669 -0.02375872 -0.02762263
2.09848326 1.17658606 -1.34109603
-0.00047086 -0.00029092 -0.00017407
-0.03037348 -0.01353485 0.05609716
12.50727929 8.50988754 3.80003829
0.00019615 -0.00012682 -0.00016106
-0.04602838 -0.01226383 -0.01957170
-7.32263846 -4.33275069 2.56413533
0.00163837 -0.00108654 0.00058340
0.01192123 0.00060863 0.00114330
-10.02775628 -3.78145862 2.20979925
-0.00005959 -0.00081147 0.00082918
0.01216102 0.01024824 0.02222704
-16.62758928 5.70130625 6.89561800
0.00027027 -0.00098099 -0.00062256
0.02301723 0.01981986 0.00268351
-17.20785376 3.54599985 4.98102189
-0.00009306 0.00025998 -0.00035934
-0.00649106 0.01683648 0.02071927
-16.34535822 0.83448780 0.50464442
0.00078533 -0.00054252 0.00023428
0.02338693 -0.01229585 0.00527872
-16.94268485 -1.77376138 -0.32394930
-0.00043883 -0.00137068 -0.00107852
0.00198242 -0.00718985 -0.00537455
1.56111466 -21.01055183 14.91005677
0.00016646 -0.00104055 0.00018621
0.00637977 -0.00019618 0.00714347
3.33870779 -18.84502985 15.89084808
0.00037895 0.00030721 0.00081770
0.00384724 0.00244371 -0.00046862
8.16932290 14.20653705 -1.20055216
-0.00055603 0.00014237 0.00002172
0.00127752 0.00301274 -0.00427449
7.26807915 16.37619558 0.47397177
-0.00077915 -0.00013192 0.00011267
0.00317891 -0.00048191 -0.03134024
-8.55336209 9.56614205 12.39334395
-0.00032595 0.00017265 0.00019334
0.00610719 -0.01922232 0.00556055
-10.65315084 11.05183940 11.51360166
-0.00010089 -0.00076074 -0.00029252
-0.01771999 0.02573659 0.00394430
-10.00639881 0.30741031 -14.57162004
0.00040959 0.00020656 0.00024122
0.02736026 -0.01654307 0.00856195
-8.11651797 -2.03709459 -15.37720758
0.00025511 0.00097876 -0.00043881
-0.01094348 0.03925047 0.01642612
-12.20448728 1.10056977 -6.99615862
0.00066265 0.00035144 0.00033259
0.02002389 0.01303358 0.00016667
-11.12912598 3.60171952 -5.81195205
-0.00083124 -0.00009432 -0.00002443
0.00263746 0.02818361 0.02278001
-1.97147685 -6.30609432 14.65926677
0.00042619 -0.00040203 0.00038566
0.00702691 0.00366971 0.00194635
-0.41491616 -5.63065946 17.14872316
-0.00018750 0.00004715 0.00090490
0.00206469 -0.00578566 -0.02231232
-24.82065200 -0.46392448 -19.05013959
0.00077121 0.00044557 0.00015632
-0.00268970 0.00044606 -0.02540477
-25.59457271 0.87280810 -21.68467958
-0.00005644 0.00001496 -0.00091890
-0.00361262 0.00707620 -0.00608379
9.51814600 8.56127432 6.51445330
-0.00003693 -0.00131004 -0.00039687
0.00587035 -0.00528795 -0.00398155
10.06050161 7.89702178 9.22415909
-0.00036321 0.00008326 -0.00000174
-0.00176038 -0.00311987 -0.00342032
19.81541158 27.54780400 -3.99262242
0.00038373 0.00039788 0.00012510
-0.00371946 -0.00752122 0.00522595
20.27543653 30.37521628 -4.46948147
0.00052263 -0.00006222 -0.00062321
-0.00613188 0.02556526 0.00409656
6.11565587 -0.87588576 -7.06884250
0.00025192 -0.00079389 -0.00067087
-0.03601811 0.02460366 0.00246329
7.41243957 -3.35986752 -7.14465786
0.00076444 -0.00060496 0.00026309
0.00303989 0.00099401 0.00040318
-8.81061059 -2.24424378 12.31687710
0.00019884 -0.00035187 0.00059150
0.02602863 0.02216111 -0.02217612
-11.07224738 -3.20587180 13.30603067
-0.00050866 -0.00084939 0.00004639
-0.01132214 -0.00522772 0.01394240
-1.19692927 -24.24485902 15.06653778
0.00072957 -0.00008617 0.00008641
0.00044373 0.00966162 -0.01918019
-3.03124504 -22.12046183 14.01291761
-0.00029690 0.00001470 0.00105672
0.00466428 -0.00537711 -0.00440331
-12.51818590 -8.14793228 -7.11204771
-0.00104498 -0.00058771 -0.00028537
0.00513864 0.00817265 -0.00759313
-10.37142898 -7.33752937 -9.00163757
0.00042690 0.00164674 0.00055156
0.02927020 0.07658899 -0.03476673
-16.21732415 -10.38320723 -15.96849989
0.00005310 -0.00053063 -0.00019614
0.00794935 0.03368703 0.01893825
-14.22494674 -8.15248802 -16.21047142
-0.00000919 0.00004076 -0.00006570
-0.00387682 0.00354452 0.00254261
17.24231596 12.86768402 5.35733560
0.00070224 0.00040984 0.00017600
-0.00512189 -0.00446635 -0.00085066
17.26007616 14.25877732 2.76064557
-0.00064572 0.00014206 0.00040735
-0.00225583 -0.00148979 0.00022510
18.42376310 -4.31729440 -15.03019035
-0.00030544 -0.00036396 0.00007267
-0.00879214 -0.00343311 0.00137922
20.94665541 -2.96386094 -15.41789274
-0.00138212 -0.00046019 0.00030485
-0.00289785 -0.03223166 0.01134350
-1.10499658 7.04230997 -13.56289748
0.00171181 -0.00083929 -0.00050492
0.00610532 0.00278526 -0.01304623
0.03227136 7.05836933 -16.33802115
-0.00074202 0.00057211 -0.00027603
-0.00993667 0.01146802 0.01977478
0.77846454 0.56243528 -15.56520643
-0.00023133 0.00029566 0.00004338
0.00022212 0.00600845 0.00633703
2.50618794 -1.03478493 -17.25111657
0.00073968 -0.00023793 0.00038427
-0.01954864 0.00162779 0.00742726
12.29061259 22.44672432 -22.34921721
0.00092311 -0.00088735 0.00007695
0.01754111 0.06145844 0.02932922
9.96089457 21.08167386 -23.22921699
-0.00016997 -0.00071335 -0.00056366
0.01902429 -0.00262670 -0.00028426
-9.95949613 16.04199258 -17.15979718
-0.00014436 -0.00013720 -0.00074935
0.02072203 0.01616350 -0.02251343
-10.81648117 15.44021931 -14.55287297
0.00001972 0.00086851 0.00009221
0.00292758 0.00006894 0.02572645
3.10824671 18.76167336 11.42256057
0.00028736 0.00062740 -0.00001988
0.03641929 -0.03393393 -0.01760428
4.82255900 18.22828652 9.02756584
-0.00047456 0.00079550 -0.00021136
-0.00242690 -0.00784543 0.01545335
-4.01316320 -10.41404264 -3.35661880
-0.00034815 -0.00017553 -0.00032198
0.05386931 -0.01717303 0.00903694
-1.32941134 -11.45461921 -1.98149906
-0.00016186 -0.00007339 0.00025159
0.00085779 0.00300431 0.04694886
0.14089699 -7.28882609 4.94492417
-0.00016135 -0.00057625 0.00068249
-0.00843394 0.00918242 0.00496036
2.77672568 -8.42352771 4.80869021
-0.00111705 0.00002274 0.00037930
-0.00456182 0.00371332 -0.00904095
7.95787534 1.90392195 9.04799262
-0.00053342 -0.00025092 -0.00122474
0.01073301 0.00327323 -0.00390684
9.73926723 3.75236096 7.53380799
0.00017713 0.00067518 0.00074982
-0.00659943 -0.02377480 0.01582230
-7.91779422 -8.62421615 -4.40247694
-0.00033008 0.00071234 -0.00003016
-0.02793669 0.00531080 -0.01821283
-7.95603106 -10.25869931 -1.81760564
0.00024763 -0.00024287 0.00018068
0.00160061 0.01619374 -0.02705974
4.73800356 -13.56182373 -12.03095376
-0.00066039 0.00042640 -0.00053203
0.01395480 -0.01319146 0.01153999
2.44032267 -13.20110839 -13.79470068
-0.00006912 -0.00014040 -0.00022160
-0.00690757 0.00156204 0.00045683
1.32103671 -6.04803894 0.24641991
-0.00023921 0.00087888 0.00014474
-0.00110634 0.02609892 -0.01892033
-0.23457648 -3.64743522 -0.26264719
-0.00042610 -0.00041318 0.00010435
0.00199238 -0.00438963 -0.00075620
17.46935313 3.36948908 25.78084948
-0.00021185 -0.00014813 0.00004549
0.00052182 -0.00183952 -0.00708393
16.64283479 3.32957146 28.48511918
0.00053152 0.00115066 -0.00083224
-0.00170027 0.00710682 -0.00501200
-10.93386041 7.26997556 -3.69848561
-0.00001096 -0.00012387 0.00098307
0.02704373 -0.00824805 -0.01609017
-8.27446964 6.98177465 -5.39679254
0.00036832 -0.00075902 0.00069514
-0.02746069 -0.00105820 0.01452782
-6.38749794 15.96042902 -9.14192451
0.00029861 -0.00038298 0.00011284
0.00292872 0.00311084 0.00193708
-4.81287022 14.36883486 -11.01325700
0.00017763 0.00036396 -0.00011539
0.00740871 -0.00212625 0.00379256
2.75434286 10.88499586 -5.68765425
-0.00016568 0.00085085 0.00028462
-0.00043987 -0.02432745 0.01626594
1.44158952 13.08271010 -6.97081418
0.00026583 -0.00007122 -0.00018968
-0.02039104 0.01754932 0.00142252
-2.60815250 11.11517693 -14.21986627
0.00131822 0.00015226 -0.00023549
0.01100587 -0.01159712 -0.00122589
-5.27229968 10.59315274 -13.23411804
-0.00016737 0.00032410 0.00057556
-0.00944377 -0.01306793 0.00165972
4.43355112 7.71198210 19.04057277
0.00041745 -0.00091780 -0.00061584
-0.00298754 -0.00346286 -0.00291025
2.04237786 6.94959594 17.48377422
0.00059148 -0.00052580 0.00078844
-0.00288902 -0.00008498 0.00192771
-13.53841248 8.69982474 -8.98789156
-0.00155215 -0.00037156 -0.00035037
-0.01125149 -0.00697995 0.01331351
-16.33458408 8.43565946 -7.52451978
0.00017924 0.00018611 0.00081783
0.01780488 -0.00440629 0.00047536
5.09920522 10.44931893 0.48434014
-0.00161198 -0.00034834 0.00101895
0.00983326 -0.00623283 -0.00392455
2.36299247 10.13950328 1.18124174
0.00087337 0.00125606 -0.00132153
-0.03036876 0.00177470 0.00920877
14.33018314 -23.78517494 -25.60056747
0.00018950 0.00017446 -0.00017225
0.00826836 -0.00279275 -0.00120023
15.06693136 -24.29411262 -28.27167820
0.00077838 -0.00133077 0.00073163
-0.00654589 -0.00518278 -0.02069299
4.31268623 3.47634395 -0.73504134
-0.00052074 0.00071292 0.00108326
-0.01306729 0.00595208 -0.00012047
5.22195988 5.88885328 0.78845894
0.00113163 -0.00029169 0.00114723
0.00279130 -0.02463722 -0.01075074
17.42978339 -3.61302363 -0.51710848
0.00111477 -0.00043031 -0.00003829
-0.00278765 -0.01818833 0.01055035
16.24192749 -6.40330936 -0.92380444
-0.00079517 0.00102328 -0.00056335
0.02243341 0.02342246 0.01802273
-6.30760237 2.79990829 -1.83289662
-0.00150747 0.00031957 0.00025143
-0.04422252 0.01294643 0.02122127
-5.03932890 1.20680541 -3.82394641
0.00053039 0.00017383 -0.00086703
-0.00194345 -0.00459178 0.00530618
2.55273549 2.85192093 -11.30510784
0.00002475 -0.00006735 -0.00038045
-0.01869137 0.00125291 -0.02006967
0.26153943 1.50386504 -10.42710526
0.00059418 -0.00137228 0.00095346
-0.01032407 -0.00089216 -0.01819202
17.04945619 8.14775297 -7.70889070
-0.00002800 0.00029661 -0.00005631
0.01753715 -0.03559684 -0.01963228
16.03445339 10.50141492 -6.97848061
-0.00110411 -0.00002476 0.00077412
-0.00922052 0.02350783 0.01064715
-6.90513701 0.52307087 11.06336104
-0.00105597 0.00095285 0.00066328
-0.00074888 0.00693171 0.00450949
-8.00170043 1.58037611 13.75550207
-0.00108356 -0.00066715 0.00111363
0.01747145 -0.00666709 -0.01651623
-2.19952847 -16.74800267 14.06164894
0.00019241 0.00009266 0.00085822
-0.02067715 0.00218409 -0.00973685
-4.76837407 -17.58342605 12.36882759
-0.00103834 -0.00033162 -0.00063427
0.03486518 0.02150601 0.01904116
6.82415697 -6.27118341 -4.50917167
0.00029792 0.00056197 -0.00006541
0.01525339 0.01092446 0.02052124
5.48691451 -7.88415236 -6.22992837
-0.00024439 0.00009336 -0.00044641
0.00648698 -0.00195085 -0.01089131
-2.80852442 -11.46146128 2.18065204
0.00035309 0.00004730 -0.00058044
0.00598261 -0.00330403 -0.00557369
-0.27940375 -10.10708069 2.25979961
-0.00033719 0.00014307 -0.00116842
-0.00718577 -0.01911805 -0.00730002
-14.70082243 -0.89807615 5.92272648
-0.00053718 -0.00000509 0.00072396
0.01501622 0.01254246 0.00880215
-15.89738173 -1.90682251 3.56411751
0.00014383 0.00000323 0.00091238
0.00516125 0.00252512 -0.02178080
-9.54523934 4.68656355 -23.41544310
0.00013996 -0.00073919 -0.00042930
-0.00104257 0.00432691 -0.00473779
-8.98798394 4.38586365 -20.56779440
-0.00005075 -0.00059146 -0.00077485
0.00356544 0.02747285 0.03690805
1.98762987 1.10118996 -3.09554251
0.00111938 -0.00048061 0.00004537
-0.00542970 -0.00759970 -0.04171872
0.59020199 0.34605734 -0.53157784
0.00047353 0.00021761 0.00046215
0.02964617 0.01884452 -0.02059571
14.04621691 9.37965175 3.52617983
-0.00022433 -0.00072370 -0.00041588
0.01049677 0.01449360 -0.00603180
11.24686818 8.96850585 2.41306485
0.00027180 -0.00080819 -0.00002424
0.03218001 -0.00114650 0.02147020
5.41917221 -9.21644305 -10.56754501
-0.00007882 -0.00019504 0.00006143
-0.00016474 0.00667813 -0.00810175
-13.00898448 10.41160268 21.24455990
0.00006925 -0.00002968 0.00011226
0.00721686 -0.00052400 -0.00216349
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06686666
0.31612609
421.22216415
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1855489454
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.4004531647 (a.u.)
total exchange computation time: 3.3410058022 s
-154.2723268663
-931.38241062
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1855489454
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4000476339 (a.u.)
total exchange computation time: 3.3372440338 s
-154.2764841074
Anderson extrapolation: theta=1.3389242909 (1.3389242909)
-931.38267141
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1855489454
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3994227249 (a.u.)
total exchange computation time: 3.3344149590 s
-154.2824692048
Anderson extrapolation: theta=0.0496926480 (0.0496926480)
-931.38282433
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1855489454
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3993232519 (a.u.)
total exchange computation time: 3.3369839191 s
-154.2831889500
Anderson extrapolation: theta=1.8836504282 (1.8836504282)
-931.38282968
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1855489454
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3991094775 (a.u.)
total exchange computation time: 3.3356478214 s
-154.2846688076
Anderson extrapolation: theta=0.2144438151 (0.2144438151)
-931.38283505
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1855489454
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3990526972 (a.u.)
total exchange computation time: 3.3381798267 s
-154.2850034040
Anderson extrapolation: theta=1.8905265121 (1.8905265121)
-931.38283608
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1855489454
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.3989594893 (a.u.)
total exchange computation time: 3.3374240398 s
-154.2854838492
Anderson extrapolation: theta=0.2830718383 (0.2830718383)
-931.38283739
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1855489454
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.3989490590 (a.u.)
total exchange computation time: 3.3379220963 s
-154.2854659832
Anderson extrapolation: theta=1.3106748243 (1.3106748243)
-931.38283772
237.364815 30.798119 201.938241
-142.509060 489.753533 -805.578645
94.855755 520.551652 -603.640405
802.716248
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1855489454
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.3989486889 (a.u.)
total exchange computation time: 3.3368029594 s
679.21892274
-1084.40991320
89.76988647
-388.68028091
-174.88250439
78.67181716
551.60419304
0.00000000
-931.38283798
-8.78015107 -3.93492531 3.63136530
-0.00008822 -0.00004180 0.00017201
0.00389642 0.00459749 -0.03957843
-17.82830346 4.44241227 6.50566681
0.00006807 -0.00027779 -0.00012890
-0.01598602 -0.03608063 -0.02597097
-15.54972162 -0.87876422 0.45589272
0.00011534 0.00024675 -0.00020401
-0.02421086 -0.00101545 -0.00856723
3.25604294 -20.63801030 15.56125388
-0.00057853 0.00019990 -0.00027136
-0.00437237 -0.00000858 0.00125814
7.62149618 15.99181373 -1.33672991
0.00036129 0.00005606 0.00010456
-0.00436662 -0.00205063 0.03945202
-9.85790231 9.51217575 11.09503515
-0.00023059 -0.00019662 -0.00016279
0.00692077 -0.01541281 -0.01410161
-8.27902968 -0.48007208 -14.26529362
-0.00030985 0.00012576 -0.00026003
-0.00885270 -0.02029511 -0.01769588
-10.80008439 2.36067077 -7.02221096
0.00001792 0.00012957 0.00021946
-0.01401423 -0.05486350 -0.03681355
-0.30154545 -5.74370205 15.27714354
-0.00026954 -0.00000301 0.00024050
-0.00789403 0.00305845 0.02933295
-25.63654635 -0.68414711 -20.72797166
-0.00041256 -0.00026696 0.00010199
0.01685329 0.00128143 0.02490511
8.86958347 7.50761763 7.85686477
0.00009325 0.00007106 -0.00002392
0.00029055 -0.00540578 0.00250556
20.78913020 28.70486511 -5.00770148
0.00007766 -0.00029188 -0.00012632
0.02103578 -0.02531741 -0.00255299
7.73174802 -1.54499207 -7.23695308
-0.00015094 0.00011376 -0.00007012
0.03755489 -0.03067454 -0.00399637
-9.27752245 -3.48712683 13.48683811
0.00026237 0.00016226 0.00022070
-0.02227221 -0.02443446 0.00707270
-1.27884613 -22.74210655 13.94434939
0.00010127 0.00009604 0.00018697
-0.00997484 -0.00463985 0.02091900
-11.05261814 -8.63880508 -8.16914422
0.00006569 -0.00015878 0.00031630
-0.02406450 -0.06819341 0.03318530
-15.90269267 -8.55708217 -15.50208469
0.00002509 -0.00002306 0.00003140
-0.00833150 -0.03989294 -0.01874605
16.73754419 12.71018135 3.58754538
0.00042889 0.00019393 0.00001843
0.00405650 0.00099572 -0.00027412
20.17967363 -4.60800287 -14.74318995
-0.00013194 0.00006477 -0.00011810
0.01387253 0.02541564 -0.01573642
-0.43567841 8.15630542 -14.89611951
0.00029791 -0.00001905 -0.00008514
-0.00136021 -0.01630666 -0.00396957
0.67659410 -0.66401235 -16.91682782
-0.00032874 0.00040572 -0.00026148
0.02343552 -0.00203167 -0.00343814
11.84401747 20.99408666 -23.16292447
0.00036208 -0.00012897 -0.00001156
-0.04148465 -0.07099329 -0.03413875
-11.28368228 15.24930397 -16.25492504
-0.00010764 -0.00003085 -0.00026449
-0.03474075 -0.03060768 0.01457664
4.52823679 17.60455911 10.75751080
0.00037546 0.00009833 -0.00036147
-0.03647746 0.03888066 0.00028545
-2.14360458 -11.09555906 -3.51081768
-0.00012850 0.00004300 0.00000847
-0.05623026 0.02089703 -0.05373462
1.25273544 -8.13852496 3.77998314
0.00028929 -0.00012445 0.00024948
0.01293338 0.00987971 0.01183897
9.60809970 1.98400567 8.23985883
-0.00007484 0.00032086 0.00016454
-0.00815642 0.02718099 -0.01508719
-6.95002799 -9.25803328 -3.06695066
-0.00001545 0.00035606 -0.00006401
0.01576207 -0.01883874 0.04611899
3.88947993 -12.35119591 -13.04902944
-0.00006163 0.00033317 -0.00021614
-0.01578867 0.01134433 -0.01776892
1.21778458 -4.55556695 -0.92680104
0.00017675 0.00005114 0.00017552
-0.00528940 -0.01890011 0.01934180
17.06353326 4.50425585 27.12570847
0.00034251 -0.00000505 -0.00014826
0.00114700 -0.00078497 0.00617714
-9.64947894 6.06502733 -4.41778290
-0.00015557 -0.00000156 0.00024577
-0.01183035 0.02652979 0.02171324
-4.87414059 14.93457107 -9.26418763
0.00031787 0.00001639 -0.00023807
-0.00550280 -0.00164688 0.00030158
2.98863742 12.19165117 -6.86879081
-0.00020306 0.00007641 -0.00008539
0.02265496 0.01484165 -0.01866094
-4.16455939 11.91288674 -13.75181019
0.00010414 0.00019832 0.00009336
0.00306564 0.01827645 0.00163634
3.86073304 7.26631708 17.34428638
-0.00001195 0.00017250 -0.00011629
0.00118886 0.00084666 -0.00133151
-15.37899051 8.69905206 -9.08919742
-0.00023210 -0.00014733 -0.00014550
-0.01287124 0.00551958 -0.00467335
3.74106095 9.22655119 0.53671361
0.00012474 -0.00000233 0.00015209
0.02055612 -0.01369850 -0.00822318
15.84845071 -24.03968801 -26.68100347
0.00004190 -0.00006367 -0.00009780
-0.00227819 0.00292128 0.03092509
5.71853367 4.16428895 0.18863007
-0.00021699 -0.00005190 0.00020165
0.01177213 0.02823710 0.01861524
17.22004295 -5.28085822 0.29904448
0.00027311 0.00000837 -0.00027422
-0.02331352 -0.01506342 -0.02964246
-4.72709630 2.43507059 -2.48287614
-0.00012311 -0.00014749 0.00037126
0.04439861 0.00151241 -0.01903993
0.81671249 2.48047647 -11.91308299
-0.00018204 0.00032183 -0.00020375
0.02432067 -0.00890121 0.03210329
15.41876545 8.85725933 -7.36336028
-0.00010330 -0.00015349 0.00030142
-0.00523813 0.01797764 0.01088049
-6.42006443 0.99341794 12.79122295
-0.00019542 0.00010987 0.00000062
-0.01965277 0.01400859 0.01405157
-3.53880552 -16.18607703 12.88086535
-0.00012348 -0.00005042 0.00015668
-0.01246097 -0.03053879 -0.02190472
7.05937432 -6.84951121 -6.22543099
-0.00006192 0.00034087 -0.00038965
-0.02943249 -0.00783444 -0.00155289
-1.11185626 -11.61340719 1.42296237
0.00000327 -0.00015716 -0.00035572
-0.00344022 0.01279701 0.01064019
-16.14310007 -1.77714395 5.35680002
0.00046032 -0.00000250 0.00039937
-0.02765578 -0.01541096 0.02028500
-9.17746152 3.50138411 -22.07377894
-0.00022910 -0.00021529 -0.00033159
0.00136892 -0.02785785 -0.02986698
2.09130313 1.17217004 -1.34349063
-0.00048522 -0.00029702 -0.00014490
-0.02543221 -0.01018698 0.05733548
12.51004405 8.50793792 3.79754689
0.00017168 -0.00013393 -0.00017057
-0.04915024 -0.01539334 -0.01742555
-7.29769766 -4.34903012 2.57292141
0.00166973 -0.00107877 0.00059560
0.00343293 0.00319492 0.00482772
-10.02827743 -3.79331666 2.22291802
-0.00001197 -0.00076907 0.00091337
0.01114716 0.01050913 0.01898517
-16.62282996 5.68719870 6.88636179
0.00036899 -0.00089404 -0.00060870
0.02530983 0.02274614 0.00410156
-17.20944858 3.55041542 4.97626666
-0.00011990 0.00032637 -0.00027662
-0.00664546 0.01566546 0.01977596
-16.33286158 0.82597315 0.50832038
0.00087362 -0.00058299 0.00025435
0.01983175 -0.00751083 0.00454700
-16.94920657 -1.79454193 -0.34029178
-0.00041345 -0.00138517 -0.00108930
0.01044227 0.00009804 0.00009804
1.56380698 -21.02616605 14.91306879
0.00018463 -0.00103862 0.00021322
0.00251630 0.00113941 0.00607750
3.34450999 -18.84034676 15.90309917
0.00039116 0.00031122 0.00081311
0.00212758 -0.00048284 -0.00177680
8.16102160 14.20876492 -1.20035732
-0.00054892 0.00015020 0.00000467
0.00220062 0.00081952 -0.00407230
7.25648933 16.37420204 0.47470149
-0.00076505 -0.00013420 -0.00001683
0.00372312 -0.00063423 -0.03205377
-8.55806422 9.56814271 12.39641440
-0.00030269 0.00009334 0.00021399
0.00527909 -0.01959961 0.00455137
-10.65520723 11.04121700 11.50933468
-0.00017799 -0.00064708 -0.00027490
-0.02001720 0.02989873 0.00468113
-9.99941654 0.31000174 -14.56773934
0.00051455 0.00014117 0.00027372
0.02401618 -0.01546562 0.00734689
-8.11302667 -2.02121045 -15.38328643
0.00020979 0.00113345 -0.00037529
-0.01124185 0.03647233 0.01466898
-12.19393400 1.10624078 -6.99116465
0.00073807 0.00039845 0.00033241
0.01689702 0.00997792 -0.00025495
-11.14151381 3.60116834 -5.81162046
-0.00081987 0.00002284 0.00006979
0.00293152 0.02916886 0.02334024
-1.96486868 -6.31201226 14.66511137
0.00044793 -0.00038894 0.00039149
0.00361389 0.00273378 0.00090302
-0.41766542 -5.63012949 17.16161297
-0.00017886 0.00002285 0.00080567
0.00216672 -0.00610826 -0.02626409
-24.80916634 -0.45722726 -19.04857335
0.00075691 0.00044599 0.00004616
-0.00430779 -0.00024148 -0.02851827
-25.59553004 0.87324936 -21.69864947
-0.00007187 0.00003402 -0.00093828
-0.00393902 0.00225238 -0.00340476
9.51777193 8.54146174 6.50837818
-0.00000923 -0.00132607 -0.00041849
0.00769147 -0.00255960 -0.00659766
10.05499951 7.89817511 9.22402824
-0.00036747 0.00007197 -0.00001367
-0.00032434 -0.00240885 -0.00242358
19.82105359 27.55354178 -3.99058580
0.00036467 0.00036289 0.00015031
-0.00561385 -0.00960609 0.00711444
20.28308812 30.37506636 -4.47870413
0.00049727 0.00004229 -0.00060635
-0.00628528 0.02559306 0.00415566
6.11833089 -0.88704013 -7.07883011
0.00009169 -0.00068888 -0.00065988
-0.04241523 0.02679766 0.00291572
7.42399931 -3.36891147 -7.14069923
0.00077706 -0.00059246 0.00026430
0.00313983 0.00512390 0.00019382
-8.80683043 -2.24884275 12.32507001
0.00030681 -0.00025374 0.00049397
0.02682450 0.02587214 -0.02556579
-11.08022421 -3.21877287 13.30715373
-0.00054374 -0.00087075 0.00010315
-0.00585145 -0.00522845 0.01384137
-1.18597205 -24.24585550 15.06724614
0.00073087 -0.00004635 0.00000750
0.00019258 0.00982968 -0.01944764
-3.03555560 -22.12040616 14.02863353
-0.00027293 -0.00000862 0.00103763
0.00706693 -0.00603828 -0.00494489
-12.53370313 -8.15649753 -7.11656087
-0.00101947 -0.00055503 -0.00031834
0.00735050 0.00782483 -0.00855010
-10.36412862 -7.31048136 -8.99442949
0.00053039 0.00192967 0.00042929
0.02139252 0.06190841 -0.02508427
-16.21628403 -10.39013440 -15.97086160
0.00008635 -0.00038760 -0.00011746
0.00832552 0.03632510 0.01957284
-14.22520331 -8.15176803 -16.21137893
-0.00002486 0.00005508 -0.00005506
-0.00379563 0.00346767 0.00266299
17.25269254 12.87369470 5.35994951
0.00067992 0.00039054 0.00016988
-0.00579945 -0.00497763 -0.00214438
17.25032128 14.26086264 2.76676279
-0.00065241 0.00014210 0.00040415
-0.00101956 0.00150925 -0.00179295
18.41891201 -4.32285906 -15.02905803
-0.00034025 -0.00037900 0.00007897
-0.00824428 -0.00392865 0.00170494
20.92583485 -2.97175150 -15.41297234
-0.00138827 -0.00058240 0.00034749
-0.00011361 -0.02758759 0.00952805
-1.07913236 7.02980591 -13.57087101
0.00173388 -0.00082937 -0.00055369
0.00469760 0.00207453 -0.01083092
0.02083656 7.06730245 -16.34155558
-0.00078006 0.00061594 -0.00020137
-0.00868563 0.00998521 0.01677143
0.77500133 0.56705429 -15.56436147
-0.00023072 0.00031858 0.00006752
0.00007756 0.00521343 0.00547512
2.51668409 -1.03830396 -17.24512487
0.00064824 -0.00022841 0.00041624
-0.02521069 0.00302926 0.00822129
12.30499675 22.43529740 -22.34716429
0.00099461 -0.00063105 0.00020032
0.01745714 0.06399934 0.03106150
9.95892797 21.07089315 -23.23768061
-0.00008504 -0.00072190 -0.00056284
0.02254914 -0.00156137 0.00068457
-9.96102648 16.04042994 -17.17172729
-0.00006199 -0.00007249 -0.00083842
0.01959693 0.01550990 -0.02108675
-10.81609570 15.45324906 -14.55070151
0.00002940 0.00086829 0.00018740
0.00181417 -0.00017557 0.02087155
3.11367310 18.77004457 11.42172299
0.00043870 0.00048576 -0.00009223
0.03766121 -0.03540235 -0.01781219
4.81536616 18.23997860 9.02486891
-0.00048292 0.00076253 -0.00014977
-0.00166174 -0.00829203 0.01469613
-4.01673472 -10.41720180 -3.36117159
-0.00012796 -0.00024525 -0.00028467
0.05391300 -0.01695359 0.00922737
-1.33181293 -11.45562800 -1.97628652
-0.00016122 -0.00006034 0.00043898
-0.00054326 0.00338491 0.04477754
0.13821829 -7.29718840 4.95531348
-0.00019324 -0.00054113 0.00069798
-0.00717565 0.00800649 0.00262158
2.75983022 -8.42307276 4.81410266
-0.00112196 0.00003469 0.00034967
0.00215528 0.00213616 -0.00546060
7.95020297 1.90025840 9.02950176
-0.00049209 -0.00023716 -0.00123907
0.00949543 0.00346165 -0.00310536
9.74172195 3.76176007 7.54554018
0.00014983 0.00057707 0.00081440
-0.00676441 -0.02424761 0.01578600
-7.92360148 -8.61336830 -4.40348749
-0.00044143 0.00073137 -0.00009971
-0.02657195 0.00400625 -0.01583252
-7.95226762 -10.26184617 -1.81572462
0.00025529 -0.00017432 0.00006753
0.00215194 0.01736309 -0.02832927
4.72852537 -13.55583188 -12.03858055
-0.00059872 0.00036693 -0.00047976
0.01623323 -0.01592156 0.01404406
2.43907419 -13.20316658 -13.79801076
-0.00009500 -0.00013157 -0.00021924
-0.00575892 0.00276376 0.00070157
1.31741467 -6.03405604 0.24801130
-0.00024171 0.00097723 0.00007239
-0.00011968 0.02204495 -0.01649684
-0.24090695 -3.65376739 -0.26110514
-0.00041537 -0.00043094 0.00009926
0.00325851 -0.00430626 -0.00173513
17.46619143 3.36721081 25.78131469
-0.00020899 -0.00015710 0.00001413
0.00087451 -0.00255511 -0.00826341
16.65075548 3.34704918 28.47248198
0.00052003 0.00116754 -0.00083741
-0.00392209 0.00115388 0.00248030
-10.93319618 7.26786481 -3.68423267
0.00010051 -0.00015685 0.00091629
0.02752314 -0.00789908 -0.01659668
-8.26978629 6.97035686 -5.38592028
0.00025715 -0.00076072 0.00075287
-0.02695985 0.00022725 0.01373050
-6.38292899 15.95477965 -9.14017262
0.00030845 -0.00036873 0.00012087
0.00188531 0.00386210 0.00199668
-4.80997882 14.37422906 -11.01487162
0.00020804 0.00035393 -0.00010314
0.00748078 -0.00278289 0.00220474
2.75184418 10.89701307 -5.68288644
-0.00016806 0.00074778 0.00035464
-0.00072635 -0.02612231 0.01800818
1.44495210 13.08217951 -6.97361579
0.00017606 0.00000435 -0.00018452
-0.02354948 0.01944422 0.00110371
-2.58804190 11.11710548 -14.22343622
0.00134561 0.00011117 -0.00023492
0.00239979 -0.00851547 0.00150359
-5.27509957 10.59761382 -13.22543382
-0.00020194 0.00027283 0.00058072
-0.00748205 -0.01203132 0.00086866
4.43972135 7.69810899 19.03124604
0.00040899 -0.00092954 -0.00061984
-0.00115628 -0.00228338 0.00094876
2.05116158 6.94170638 17.49565987
0.00057410 -0.00052675 0.00079533
-0.00562037 -0.00038180 0.00144429
-13.56203959 8.69403751 -8.99273915
-0.00157679 -0.00039991 -0.00029529
-0.00080927 -0.00689902 0.01365119
-16.33134985 8.43831616 -7.51223776
0.00025452 0.00016896 0.00081203
0.01904309 -0.00398967 -0.00331454
5.07532683 10.44390287 0.49950413
-0.00155055 -0.00035965 0.00100082
0.02023543 0.00069485 -0.00495139
2.37516242 10.15839861 1.16170098
0.00074076 0.00126498 -0.00128127
-0.03454232 0.00258790 0.01049811
14.33327897 -23.78264366 -25.60318797
0.00022177 0.00016335 -0.00017608
0.00752792 -0.00264556 -0.00067328
15.07840655 -24.31423305 -28.26133790
0.00074523 -0.00135441 0.00063420
-0.00968189 -0.00638497 -0.02699704
4.30447469 3.48722007 -0.71879617
-0.00058025 0.00073383 0.00107933
-0.01606043 0.00428353 -0.00179980
5.23901980 5.88372302 0.80533791
0.00114139 -0.00038972 0.00110321
0.00198671 -0.02334936 -0.01079453
17.44641945 -3.62003560 -0.51735961
0.00110347 -0.00049847 0.00000300
-0.00274352 -0.01517641 0.00966590
16.23068733 -6.38724236 -0.93170238
-0.00070223 0.00111760 -0.00048849
0.02306050 0.02274653 0.01861907
-6.33156948 2.80509863 -1.82847482
-0.00166406 0.00036566 0.00032726
-0.03242936 0.00961042 0.01589558
-5.03143259 1.20927213 -3.83678933
0.00052228 0.00016087 -0.00083816
-0.00202696 -0.00175277 0.00882748
2.55253397 2.85094901 -11.31142953
-0.00005156 -0.00006152 -0.00046250
-0.01866072 0.00160456 -0.02009463
0.27013573 1.48325355 -10.41336089
0.00055644 -0.00136481 0.00086313
-0.00814773 0.00454754 -0.02602171
17.04957357 8.15111138 -7.71033689
0.00004372 0.00015231 -0.00013663
0.01756889 -0.03503895 -0.01968612
16.01760925 10.50176391 -6.96654256
-0.00114092 0.00007124 0.00081775
-0.00880006 0.02348427 0.01071051
-6.92099947 0.53757600 11.07344844
-0.00105978 0.00097836 0.00067356
-0.00111935 0.00555438 0.00052413
-8.01741841 1.57016451 13.77170045
-0.00100457 -0.00069525 0.00104231
0.02119482 -0.00708732 -0.01839920
-2.19727594 -16.74654589 14.07422390
0.00010244 0.00010255 0.00081385
-0.02336261 0.00265966 -0.01198117
-4.78288072 -17.58774141 12.35989709
-0.00088899 -0.00023800 -0.00055261
0.03824246 0.02432603 0.02092934
6.82909316 -6.26241910 -4.50952394
0.00036010 0.00060368 0.00001329
0.01518420 0.00949395 0.01800074
5.48344749 -7.88281174 -6.23695822
-0.00021526 0.00008808 -0.00048965
0.00777313 -0.00063221 -0.01027773
-2.80304467 -11.46085303 2.17177459
0.00037211 0.00003403 -0.00060110
0.00332392 -0.00318955 -0.00453544
-0.28468185 -10.10552052 2.24204960
-0.00036497 0.00006637 -0.00119664
-0.00641081 -0.01842594 -0.00651127
-14.70841994 -0.89776821 5.93385565
-0.00046600 0.00005203 0.00076309
0.01982688 0.01541794 0.01035085
-15.89506613 -1.90669661 3.57713575
0.00016662 0.00001303 0.00081581
0.00599373 0.00227172 -0.02548905
-9.54317188 4.67560829 -23.42202779
0.00013426 -0.00071760 -0.00045213
-0.00175027 0.00623926 -0.00643593
-8.98863601 4.37783365 -20.57828621
-0.00003495 -0.00047413 -0.00061614
0.00417213 0.02996129 0.04078261
2.00425412 1.09374798 -3.09614031
0.00109549 -0.00051310 -0.00012851
-0.00626469 -0.00830816 -0.04339740
0.59821333 0.34989890 -0.52527665
0.00058662 0.00028993 0.00037894
0.02571447 0.01655621 -0.02014002
14.04317362 9.36924046 3.51975673
-0.00017259 -0.00065965 -0.00044201
0.01483017 0.01685928 -0.00675743
11.25193125 8.95634790 2.41335922
0.00040080 -0.00081136 0.00006072
0.03096882 -0.00040590 0.02011654
5.41798944 -9.21935066 -10.56664537
-0.00007885 -0.00019263 0.00005848
-0.00001725 0.00678512 -0.00835298
-13.00793313 10.41115661 21.24623997
0.00007093 -0.00002981 0.00011174
0.00727042 -0.00066271 -0.00228264
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06687585
0.31596214
421.00370787
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702761628
ExchangeOperator: pair fraction: ispin=0: 0.1848566793
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.4055739125 (a.u.)
total exchange computation time: 3.3044071198 s
-154.2899498061
-931.38248449
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702761628
ExchangeOperator: pair fraction: ispin=0: 0.1848566793
ExchangeOperator: bisection time: 1.691 s
total exchange = -52.4051033832 (a.u.)
total exchange computation time: 3.3041629791 s
-154.2945285539
Anderson extrapolation: theta=1.3426213663 (1.3426213663)
-931.38274450
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702761628
ExchangeOperator: pair fraction: ispin=0: 0.1848566793
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4043833712 (a.u.)
total exchange computation time: 3.3055319786 s
-154.3011281806
Anderson extrapolation: theta=0.0510313245 (0.0510313245)
-931.38289796
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702761628
ExchangeOperator: pair fraction: ispin=0: 0.1848566793
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4042734726 (a.u.)
total exchange computation time: 3.3076908588 s
-154.3019126446
Anderson extrapolation: theta=1.9357089082 (1.9357089082)
-931.38290370
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702761628
ExchangeOperator: pair fraction: ispin=0: 0.1848566793
ExchangeOperator: bisection time: 1.692 s
total exchange = -52.4040332844 (a.u.)
total exchange computation time: 3.3070740700 s
-154.3035595772
Anderson extrapolation: theta=0.2251543761 (0.2251543761)
-931.38290993
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702761628
ExchangeOperator: pair fraction: ispin=0: 0.1848566793
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4039683459 (a.u.)
total exchange computation time: 3.3071351051 s
-154.3039443283
Anderson extrapolation: theta=1.9044094786 (1.9044094786)
-931.38291126
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702761628
ExchangeOperator: pair fraction: ispin=0: 0.1848566793
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4038606325 (a.u.)
total exchange computation time: 3.3030259609 s
-154.3045099629
Anderson extrapolation: theta=0.2894062230 (0.2894062230)
-931.38291307
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702761628
ExchangeOperator: pair fraction: ispin=0: 0.1848566793
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4038473015 (a.u.)
total exchange computation time: 3.3029980659 s
-154.3045051393
Anderson extrapolation: theta=1.3136905786 (1.3136905786)
-931.38291357
237.363575 30.725344 202.014951
-142.511267 489.739737 -805.579674
94.852308 520.465080 -603.564723
802.602788
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702761628
ExchangeOperator: pair fraction: ispin=0: 0.1848566793
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4038445524 (a.u.)
total exchange computation time: 3.3041141033 s
679.29731694
-1084.57149773
89.76062330
-388.57036821
-174.89514378
78.76009237
551.60419304
0.00000000
-931.38291403
-8.78145941 -3.93553452 3.63379274
-0.00008366 -0.00004010 0.00015163
0.01385426 0.00199436 -0.03964978
-17.82734411 4.43810622 6.50363310
0.00005949 -0.00029643 -0.00014211
-0.01738414 -0.03641615 -0.02540513
-15.54808484 -0.87506692 0.45279955
0.00010194 0.00024300 -0.00020952
-0.02791765 -0.01354360 -0.01287201
3.24734817 -20.63501178 15.55718833
-0.00057921 0.00020040 -0.00027004
0.00170006 0.00195472 0.00388959
7.62689866 15.99264672 -1.33500939
0.00035874 0.00005558 0.00012470
-0.00555182 0.00016877 0.03889263
-9.86133443 9.50916694 11.09253893
-0.00022628 -0.00020523 -0.00016986
0.00984573 -0.01804782 -0.01338179
-8.28371164 -0.47826394 -14.26926234
-0.00031337 0.00011585 -0.00026824
-0.00481874 -0.01823669 -0.01422725
-10.79986966 2.36240268 -7.01906107
0.00001153 0.00010227 0.00020074
-0.01084058 -0.05128550 -0.03596253
-0.30561895 -5.74373538 15.28086416
-0.00027266 -0.00000106 0.00025668
-0.00426114 0.00451794 0.03358420
-25.64266978 -0.68814662 -20.72634570
-0.00040345 -0.00026490 0.00011472
0.01857563 0.00672666 0.02458515
8.87098334 7.50866264 7.85651569
0.00009256 0.00006745 -0.00002228
-0.00295480 -0.00863403 0.00386614
20.79037631 28.70038926 -5.00960609
0.00008891 -0.00030418 -0.00012796
0.02268808 -0.02252662 -0.00383471
7.72962878 -1.54340392 -7.23802024
-0.00013046 0.00009665 -0.00007215
0.04208142 -0.03585980 -0.00392825
-9.27367285 -3.48478721 13.49017582
0.00024943 0.00014900 0.00022496
-0.02805620 -0.02714287 0.00949557
-1.27736549 -22.74068380 13.94723465
0.00009566 0.00009378 0.00019777
-0.01186218 -0.00416681 0.02108819
-11.05172557 -8.64144989 -8.16427172
0.00005509 -0.00018957 0.00033093
-0.01716330 -0.05154191 0.02371644
-15.90234845 -8.55758192 -15.50168603
0.00002075 -0.00004394 0.00002167
-0.00855528 -0.04132783 -0.01906350
16.74399315 12.71309407 3.58782078
0.00043083 0.00019371 0.00001910
0.00349958 -0.00183325 0.00289458
20.17774811 -4.60693323 -14.74502211
-0.00012585 0.00007652 -0.00012568
0.00978481 0.02024929 -0.01376545
-0.43121499 8.15595673 -14.89741190
0.00029718 -0.00002674 -0.00008689
-0.00147945 -0.01357970 -0.00284478
0.67175343 -0.65793446 -16.92076335
-0.00031536 0.00040461 -0.00026314
0.02857995 -0.00226991 -0.00301124
11.84928862 20.99187820 -23.16322951
0.00034027 -0.00016562 -0.00002938
-0.04331687 -0.07150248 -0.03515458
-11.28543088 15.24872321 -16.25883612
-0.00012472 -0.00004623 -0.00025604
-0.03167518 -0.02920810 0.01828986
4.53372794 17.60618406 10.75208984
0.00035638 0.00011858 -0.00036108
-0.03770764 0.03985596 0.00124052
-2.14574904 -11.09483351 -3.51089796
-0.00015664 0.00005340 -0.00001834
-0.05318618 0.01954105 -0.05048812
1.25712461 -8.14035358 3.78377104
0.00029368 -0.00011867 0.00025512
0.00415423 0.01260407 0.01008636
9.60694557 1.98892348 8.24226880
-0.00007870 0.00033478 0.00015672
-0.00682921 0.02691586 -0.01535462
-6.95019887 -9.25276510 -3.06773288
-0.00000798 0.00034661 -0.00004099
0.01326482 -0.01790016 0.04340319
3.88849454 -12.34615458 -13.05234009
-0.00007051 0.00033921 -0.00022587
-0.01873514 0.01212187 -0.02005140
1.22041545 -4.55487271 -0.92409364
0.00017349 0.00004262 0.00018492
-0.00741113 -0.01423172 0.01723264
17.06867535 4.50417702 27.12350833
0.00034367 -0.00000369 -0.00014692
0.00334387 0.00607136 -0.00094655
-9.65185813 6.06510623 -4.41401264
-0.00016193 0.00001153 0.00025726
-0.01290332 0.02439033 0.02296414
-4.86939377 14.93481063 -9.26775752
0.00031529 0.00001552 -0.00023751
-0.00452350 -0.00173887 0.00188103
2.98567897 12.19285451 -6.87014367
-0.00019078 0.00008390 -0.00009514
0.02507980 0.01431671 -0.01922831
-4.16298554 11.91593198 -13.75040341
0.00010728 0.00020658 0.00009375
0.00915715 0.01386463 -0.00014400
3.86055840 7.26890780 17.34253686
-0.00001110 0.00017273 -0.00011784
0.00211192 0.00006187 -0.00468358
-15.38252170 8.69686342 -9.09139789
-0.00024187 -0.00014460 -0.00014706
-0.02509920 0.00508904 -0.00141337
3.74301139 9.22646334 0.53896317
0.00013330 -0.00001124 0.00014795
0.01271452 -0.02094389 -0.00787107
15.84907045 -24.04063173 -26.68235123
0.00004170 -0.00006190 -0.00008070
0.00148998 0.00393542 0.03559339
5.71532421 4.16361945 0.19172667
-0.00021006 -0.00003757 0.00021152
0.01517683 0.02746304 0.01973649
17.22404963 -5.28079074 0.29481689
0.00026094 0.00000001 -0.00028908
-0.02398844 -0.01745691 -0.02814591
-4.72877162 2.43286403 -2.47738073
-0.00010335 -0.00014655 0.00036211
0.03241466 0.00217083 -0.01654159
0.81407575 2.48526960 -11.91601540
-0.00017020 0.00031586 -0.00018558
0.02169749 -0.01431072 0.03856724
15.41719577 8.85502630 -7.35879708
-0.00010587 -0.00014435 0.00030694
-0.00478249 0.01756007 0.01058317
-6.42307158 0.99512004 12.79128649
-0.00020621 0.00011752 0.00000934
-0.02230645 0.01573152 0.01985091
-3.54070582 -16.18695117 12.88313102
-0.00013001 -0.00006670 0.00014553
-0.01292893 -0.03277290 -0.02143598
7.05833205 -6.84442839 -6.23128169
-0.00007736 0.00033692 -0.00038976
-0.03062357 -0.00753111 0.00110012
-1.11182051 -11.61571525 1.41766766
0.00000197 -0.00015087 -0.00035075
-0.00160817 0.01167004 0.00866644
-16.13630195 -1.77724086 5.36286879
0.00044487 -0.00001102 0.00041013
-0.03243361 -0.01773608 0.02157210
-9.18089278 3.49804727 -22.07886796
-0.00022835 -0.00023036 -0.00034706
0.00156058 -0.03072401 -0.03031228
2.08392681 1.16767543 -1.34544290
-0.00049682 -0.00030128 -0.00011583
-0.01970217 -0.00637997 0.05567679
12.51242963 8.50586955 3.79492106
0.00014597 -0.00014257 -0.00017887
-0.05083125 -0.01819681 -0.01481674
-7.27254646 -4.36511375 2.58200337
0.00166736 -0.00106056 0.00062171
-0.00459234 0.00571642 0.00795313
-10.02811541 -3.80453064 2.23720032
0.00003041 -0.00072558 0.00098313
0.00959824 0.01077927 0.01516113
-16.61651949 5.67448517 6.87735695
0.00047510 -0.00079721 -0.00058965
0.02663238 0.02464936 0.00522433
-17.21145067 3.55579106 4.97272342
-0.00014689 0.00038714 -0.00019912
-0.00656743 0.01408248 0.01815820
-16.31914952 0.81699818 0.51227502
0.00094661 -0.00060238 0.00027152
0.01589806 -0.00198391 0.00385505
-16.95508832 -1.81531647 -0.35662825
-0.00035561 -0.00137075 -0.00107868
0.01786994 0.00695885 0.00510079
1.56665352 -21.04171044 14.91645327
0.00018662 -0.00103153 0.00023570
-0.00154030 0.00233079 0.00492904
3.35044259 -18.83569325 15.91524138
0.00039632 0.00030330 0.00080312
0.00040000 -0.00339562 -0.00311126
8.15285518 14.21104302 -1.20041206
-0.00053809 0.00014898 -0.00001154
0.00310058 -0.00141621 -0.00386260
7.24512769 16.37216963 0.47346676
-0.00074905 -0.00013673 -0.00014756
0.00410919 -0.00060696 -0.03193630
-8.56244282 9.56894218 12.39976378
-0.00028314 0.00001270 0.00023034
0.00428922 -0.01987366 0.00345239
-10.65849041 11.03242697 11.50535460
-0.00026306 -0.00051880 -0.00025470
-0.02162877 0.03289370 0.00520677
-9.99096241 0.31164535 -14.56340838
0.00060438 0.00008101 0.00030106
0.01995652 -0.01398301 0.00603347
-8.11022434 -2.00309105 -15.38846627
0.00016364 0.00127500 -0.00032023
-0.01134650 0.03281484 0.01228421
-12.18234517 1.11252330 -6.98618630
0.00079948 0.00043187 0.00033059
0.01316490 0.00638047 -0.00063528
-11.15372197 3.60240481 -5.80985844
-0.00080663 0.00014157 0.00016389
0.00354782 0.02894978 0.02272584
-1.95803904 -6.31776266 14.67101133
0.00045537 -0.00037989 0.00039288
0.00002723 0.00170040 -0.00021791
-0.42028189 -5.62997388 17.17289316
-0.00016991 -0.00000262 0.00069202
0.00221537 -0.00636226 -0.02936694
-24.79794469 -0.45054485 -19.04875488
0.00073658 0.00044371 -0.00007512
-0.00564318 -0.00087422 -0.03084802
-25.59672879 0.87382865 -21.71282802
-0.00008884 0.00003366 -0.00094687
-0.00436873 -0.00242970 -0.00079895
9.51786924 8.52149230 6.50189872
0.00002577 -0.00133132 -0.00045054
0.00943843 -0.00001011 -0.00909259
10.04947753 7.89918082 9.22374886
-0.00036572 0.00006366 -0.00002136
0.00118169 -0.00165946 -0.00133773
19.82635155 27.55869083 -3.98811317
0.00033825 0.00031995 0.00018290
-0.00731807 -0.01141746 0.00884175
20.29035450 30.37648493 -4.48767211
0.00047174 0.00014522 -0.00058972
-0.00620920 0.02479042 0.00398579
6.11840645 -0.89655218 -7.08863902
-0.00009071 -0.00057679 -0.00064754
-0.04686775 0.02807206 0.00312538
7.43575148 -3.37764139 -7.13672872
0.00078971 -0.00056365 0.00026467
0.00305245 0.00898023 -0.00001581
-8.80140631 -2.25185612 12.33169608
0.00041681 -0.00014290 0.00038482
0.02702295 0.02838486 -0.02786391
-11.08855964 -3.23199438 13.30912509
-0.00055649 -0.00089165 0.00015934
-0.00038712 -0.00499978 0.01366598
-1.17500303 -24.24624955 15.06676263
0.00073116 -0.00000667 -0.00007184
-0.00005357 0.00959585 -0.01938810
-3.03943306 -22.12072055 14.04404640
-0.00023962 -0.00003447 0.00101633
0.00924049 -0.00661594 -0.00547764
-12.54876989 -8.16458323 -7.12159803
-0.00098534 -0.00052364 -0.00035485
0.00935236 0.00754161 -0.00931769
-10.35551719 -7.27963922 -8.98875874
0.00060029 0.00214895 0.00034786
0.01282191 0.04543050 -0.01478055
-16.21473367 -10.39483536 -15.97202376
0.00012076 -0.00023591 -0.00003678
0.00851830 0.03793010 0.01991996
-14.22569251 -8.15083552 -16.21212324
-0.00004006 0.00006914 -0.00004398
-0.00364432 0.00341396 0.00276127
17.26271371 12.87940032 5.36243199
0.00065496 0.00036922 0.00015875
-0.00642243 -0.00545809 -0.00330390
17.24050392 14.26304046 2.77277013
-0.00065417 0.00015444 0.00039276
0.00015940 0.00452885 -0.00378200
18.41355567 -4.32866449 -15.02782122
-0.00037218 -0.00039611 0.00008667
-0.00738654 -0.00444536 0.00206338
20.90500732 -2.98133279 -15.40746800
-0.00138241 -0.00068359 0.00038192
0.00298237 -0.02194892 0.00732486
-1.05298024 7.01742900 -13.57950833
0.00175016 -0.00082264 -0.00059307
0.00327112 0.00121662 -0.00844178
0.00886944 7.07684753 -16.34406216
-0.00081274 0.00065303 -0.00014012
-0.00730983 0.00817259 0.01320929
0.77154287 0.57199281 -15.56318096
-0.00023075 0.00033793 0.00008774
-0.00009161 0.00425524 0.00442400
2.52563518 -1.04163733 -17.23862933
0.00053548 -0.00021348 0.00045092
-0.02998478 0.00428029 0.00875500
12.32045079 22.42779276 -22.34320772
0.00106369 -0.00037083 0.00032705
0.01636061 0.06338172 0.03097518
9.95834332 21.06001675 -23.24610227
0.00001280 -0.00072605 -0.00055811
0.02534666 -0.00046624 0.00162976
-9.96135581 16.03981784 -17.18494973
0.00001404 -0.00001142 -0.00092024
0.01762144 0.01438275 -0.01896797
-10.81559904 15.46626806 -14.54725091
0.00003428 0.00086681 0.00026145
0.00057038 -0.00054834 0.01537566
3.12140760 18.77624609 11.41979377
0.00059327 0.00033962 -0.00016452
0.03800560 -0.03613227 -0.01757559
4.80807148 18.25116249 9.02307265
-0.00048799 0.00072802 -0.00009209
-0.00082237 -0.00860271 0.01354049
-4.01700211 -10.42139999 -3.36515886
0.00009063 -0.00031346 -0.00024668
0.05308919 -0.01643719 0.00936730
-1.33424781 -11.45642934 -1.96832975
-0.00016767 -0.00004510 0.00061452
-0.00261410 0.00407624 0.04115348
0.13509982 -7.30506003 4.96586346
-0.00021958 -0.00051101 0.00070358
-0.00572054 0.00673745 0.00012298
2.74306684 -8.42248690 4.81918045
-0.00109866 0.00004006 0.00033550
0.00925084 0.00049209 -0.00147790
7.94311253 1.89680700 9.01082059
-0.00045617 -0.00022272 -0.00125001
0.00809036 0.00361132 -0.00224962
9.74376209 3.76967313 7.55823984
0.00012202 0.00047832 0.00087825
-0.00684924 -0.02409294 0.01546899
-7.93103723 -8.60227492 -4.40546837
-0.00054569 0.00074419 -0.00015769
-0.02446283 0.00226857 -0.01254806
-7.94837230 -10.26392891 -1.81557980
0.00026443 -0.00010187 -0.00004959
0.00231978 0.01810140 -0.02900248
4.72004206 -13.55081581 -12.04534663
-0.00052877 0.00029764 -0.00041841
0.01800591 -0.01799437 0.01598772
2.43747276 -13.20505539 -13.80127784
-0.00011608 -0.00011782 -0.00021584
-0.00456333 0.00396417 0.00096385
1.31378529 -6.01872208 0.24859165
-0.00024005 0.00105747 0.00001122
0.00093603 0.01723144 -0.01344870
-0.24703772 -3.66036347 -0.25966944
-0.00039968 -0.00044811 0.00009025
0.00442194 -0.00409682 -0.00267470
17.46308332 3.36477595 25.78127346
-0.00020477 -0.00016870 -0.00002154
0.00119137 -0.00312271 -0.00919707
16.65843579 3.36459762 28.45999678
0.00049917 0.00115936 -0.00081099
-0.00629295 -0.00515631 0.01045374
-10.93084516 7.26526994 -3.67099688
0.00021276 -0.00018753 0.00084813
0.02742632 -0.00711917 -0.01676748
-8.26675519 6.95895300 -5.37420653
0.00014905 -0.00075682 0.00080670
-0.02595272 0.00168419 0.01262145
-6.37824449 15.94936697 -9.13829836
0.00031405 -0.00035150 0.00012911
0.00085554 0.00457272 0.00203520
-4.80662895 14.37945270 -11.01635112
0.00023868 0.00034123 -0.00009747
0.00751514 -0.00343478 0.00057090
2.74930099 10.90742934 -5.67701497
-0.00017130 0.00063942 0.00042999
-0.00085735 -0.02692198 0.01887501
1.44687142 13.08284059 -6.97634976
0.00007528 0.00008655 -0.00018048
-0.02578309 0.02079532 0.00087224
-2.56778423 11.11851214 -14.22691401
0.00133854 0.00008229 -0.00022343
-0.00586008 -0.00562112 0.00412168
-5.27835801 10.60133755 -13.21669636
-0.00022796 0.00022658 0.00058237
-0.00525343 -0.01060565 -0.00006327
4.44582071 7.68409594 19.02197746
0.00040817 -0.00093652 -0.00060791
0.00075468 -0.00113567 0.00489111
2.05960085 6.93379342 17.50763404
0.00054590 -0.00052894 0.00080026
-0.00818464 -0.00068836 0.00097029
-13.58571629 8.68782747 -8.99675011
-0.00155725 -0.00042800 -0.00023898
0.01037454 -0.00684984 0.01390988
-16.32694854 8.44072835 -7.50015887
0.00033421 0.00015340 0.00079127
0.01996506 -0.00362636 -0.00684557
5.05268859 10.43852939 0.51436466
-0.00144606 -0.00034179 0.00097891
0.03091682 0.00804769 -0.00577211
2.38521541 10.17745254 1.14280360
0.00059369 0.00127575 -0.00123705
-0.03745314 0.00268526 0.01114746
14.33683617 -23.78027451 -25.60584974
0.00025056 0.00015289 -0.00017757
0.00656581 -0.00247573 -0.00005712
15.08928837 -24.33474479 -28.25265216
0.00070020 -0.00138292 0.00051310
-0.01236402 -0.00757147 -0.03228304
4.29527886 3.49835870 -0.70266131
-0.00065119 0.00074823 0.00106914
-0.01866906 0.00276723 -0.00319049
5.25620148 5.87716178 0.82155533
0.00114770 -0.00048122 0.00105959
0.00110555 -0.02144258 -0.01056155
17.46288736 -3.62797768 -0.51701835
0.00109261 -0.00055335 0.00004026
-0.00257006 -0.01169048 0.00857189
16.22086046 -6.36978131 -0.93845922
-0.00060764 0.00120821 -0.00041222
0.02324566 0.02160656 0.01871485
-6.35752407 2.81087795 -1.82307884
-0.00177143 0.00039785 0.00038135
-0.02013177 0.00614699 0.01058111
-5.02366051 1.21163143 -3.84909125
0.00051373 0.00015897 -0.00079512
-0.00215627 0.00082158 0.01223955
2.55118882 2.85007543 -11.31898274
-0.00012649 -0.00005405 -0.00054410
-0.01802078 0.00205083 -0.01985008
0.27823268 1.46292076 -10.40121128
0.00052669 -0.00133620 0.00074304
-0.00641743 0.00945790 -0.03276507
17.05076768 8.15232238 -7.71298958
0.00011358 0.00001156 -0.00021663
0.01662834 -0.03386298 -0.01947365
16.00022579 10.50355215 -6.95394810
-0.00117621 0.00016548 0.00086118
-0.00847437 0.02264533 0.01054819
-6.93693052 0.55242155 11.08356796
-0.00106523 0.00099837 0.00066745
-0.00154482 0.00424207 -0.00351568
-8.03183744 1.55951855 13.78677122
-0.00091157 -0.00072447 0.00096403
0.02432657 -0.00721376 -0.01991730
-2.19645521 -16.74492611 14.08606458
0.00000266 0.00011409 0.00076122
-0.02548127 0.00298951 -0.01378524
-4.79504364 -17.59056592 12.35224927
-0.00072753 -0.00013450 -0.00046400
0.04078931 0.02633516 0.02244782
6.83495994 -6.25307293 -4.50877302
0.00042190 0.00063909 0.00008071
0.01506831 0.00784012 0.01500165
5.48045685 -7.88150986 -6.24461795
-0.00018130 0.00008802 -0.00053018
0.00884825 0.00060104 -0.00956168
-2.79736122 -11.46044026 2.16261917
0.00037977 0.00002128 -0.00061729
0.00042982 -0.00305196 -0.00339113
-0.29035285 -10.10508961 2.22390055
-0.00038913 -0.00000653 -0.00122121
-0.00541503 -0.01726062 -0.00551703
-14.71480233 -0.89651536 5.94561919
-0.00037685 0.00011995 0.00080791
0.02381100 0.01783242 0.01158810
-15.89238319 -1.90643149 3.58859187
0.00019259 0.00002201 0.00070578
0.00671936 0.00212292 -0.02837379
-9.54121168 4.66503541 -23.42900692
0.00012569 -0.00068848 -0.00048160
-0.00244358 0.00801963 -0.00799161
-8.98903238 4.37163986 -20.58627862
-0.00001711 -0.00034889 -0.00044552
0.00456174 0.03134350 0.04273615
2.02049444 1.08579682 -3.09939777
0.00106862 -0.00054824 -0.00030473
-0.00688827 -0.00889233 -0.04286415
0.60780061 0.35475514 -0.52020977
0.00068162 0.00035172 0.00029896
0.02078897 0.01369038 -0.01900900
14.04103922 9.35986240 3.51291949
-0.00010473 -0.00058693 -0.00047076
0.01838562 0.01873509 -0.00731276
11.25889227 8.94416507 2.41488646
0.00052350 -0.00081119 0.00013888
0.02909276 0.00048651 0.01814186
5.41680657 -9.22222184 -10.56579057
-0.00007884 -0.00019018 0.00005545
0.00012532 0.00688651 -0.00859923
-13.00685647 10.41070823 21.24791210
0.00007262 -0.00002998 0.00011120
0.00729535 -0.00078559 -0.00241018
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06699190
0.31592213
420.95040504
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702034884
ExchangeOperator: pair fraction: ispin=0: 0.1844240130
ExchangeOperator: bisection time: 1.782 s
total exchange = -52.4099701081 (a.u.)
total exchange computation time: 3.2710089684 s
-154.3062765396
-931.38250278
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702034884
ExchangeOperator: pair fraction: ispin=0: 0.1844240130
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.4094545720 (a.u.)
total exchange computation time: 3.2732059956 s
-154.3111701346
Anderson extrapolation: theta=1.3427519840 (1.3427519840)
-931.38276037
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702034884
ExchangeOperator: pair fraction: ispin=0: 0.1844240130
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.4086789690 (a.u.)
total exchange computation time: 3.2710630894 s
-154.3181807187
Anderson extrapolation: theta=0.0506134131 (0.0506134131)
-931.38291163
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702034884
ExchangeOperator: pair fraction: ispin=0: 0.1844240130
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.4085713840 (a.u.)
total exchange computation time: 3.2734839916 s
-154.3189702961
Anderson extrapolation: theta=1.9090374287 (1.9090374287)
-931.38291696
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702034884
ExchangeOperator: pair fraction: ispin=0: 0.1844240130
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.4083419961 (a.u.)
total exchange computation time: 3.2703208923 s
-154.3205984984
Anderson extrapolation: theta=0.2190857082 (0.2190857082)
-931.38292231
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702034884
ExchangeOperator: pair fraction: ispin=0: 0.1844240130
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.4082833829 (a.u.)
total exchange computation time: 3.2722399235 s
-154.3209648906
Anderson extrapolation: theta=1.8866618813 (1.8866618813)
-931.38292330
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702034884
ExchangeOperator: pair fraction: ispin=0: 0.1844240130
ExchangeOperator: bisection time: 1.789 s
total exchange = -52.4081893668 (a.u.)
total exchange computation time: 3.2716100216 s
-154.3214911505
Anderson extrapolation: theta=0.2854331180 (0.2854331180)
-931.38292448
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702034884
ExchangeOperator: pair fraction: ispin=0: 0.1844240130
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.4081805490 (a.u.)
total exchange computation time: 3.2712600231 s
-154.3214755439
Anderson extrapolation: theta=1.3126169713 (1.3126169713)
-931.38292475
237.377510 30.664571 202.091705
-142.509578 489.731179 -805.581096
94.867932 520.395750 -603.489392
802.503026
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702034884
ExchangeOperator: pair fraction: ispin=0: 0.1844240130
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.4081835628 (a.u.)
total exchange computation time: 3.2726171017 s
679.36942164
-1084.71756185
89.75137414
-388.47122718
-174.90674811
78.83967240
551.60419304
0.00000000
-931.38292493
-8.78266086 -3.93612834 3.63591431
-0.00007401 -0.00003972 0.00013152
0.02365767 -0.00050127 -0.03858098
-17.82651887 4.43351923 6.50140340
0.00005041 -0.00031486 -0.00015477
-0.01790750 -0.03523790 -0.02382804
-15.54666343 -0.87147411 0.44960707
0.00008699 0.00023280 -0.00021712
-0.03021789 -0.02611939 -0.01665946
3.23866652 -20.63199817 15.55315280
-0.00057677 0.00020192 -0.00026735
0.00780430 0.00393208 0.00654172
7.63225831 15.99348102 -1.33298883
0.00035564 0.00005618 0.00014434
-0.00651304 0.00217935 0.03748591
-9.86469060 9.50601890 11.08993948
-0.00022063 -0.00021487 -0.00017646
0.01209680 -0.01943537 -0.01231701
-8.28843077 -0.47659649 -14.27334083
-0.00031468 0.00010712 -0.00027447
-0.00025822 -0.01570660 -0.01000761
-10.79973855 2.36373894 -7.01618862
0.00000682 0.00007725 0.00018275
-0.00745237 -0.04601059 -0.03401413
-0.30972532 -5.74373386 15.28484387
-0.00027389 0.00000163 0.00027482
-0.00052674 0.00594737 0.03698172
-25.64864991 -0.69209424 -20.72453008
-0.00039355 -0.00026014 0.00012712
0.01991269 0.01180539 0.02365076
8.87236041 7.50964104 7.85619644
0.00009023 0.00006225 -0.00002002
-0.00611707 -0.01158220 0.00492885
20.79179745 28.69573963 -5.01154029
0.00010087 -0.00031493 -0.00013015
0.02383562 -0.01926748 -0.00467933
7.72783419 -1.54209243 -7.23911771
-0.00010821 0.00007724 -0.00007410
0.04444504 -0.03963511 -0.00362383
-9.27003969 -3.48265698 13.49358679
0.00023372 0.00013464 0.00023016
-0.03300179 -0.02869318 0.01073928
-1.27597636 -22.73929320 13.95028260
0.00008914 0.00009183 0.00020858
-0.01347054 -0.00339310 0.02093151
-11.05096542 -8.64449233 -8.15921626
0.00004808 -0.00021170 0.00034071
-0.01008114 -0.03450440 0.01432144
-15.90207023 -8.55840050 -15.50143445
0.00001632 -0.00006531 0.00001187
-0.00866204 -0.04175461 -0.01907567
16.75046911 12.71599265 3.58811852
0.00043250 0.00019205 0.00002134
0.00300768 -0.00461790 0.00580243
20.17589807 -4.60570738 -14.74696048
-0.00012202 0.00008535 -0.00013216
0.00512525 0.01410404 -0.01143216
-0.42676298 8.15550328 -14.89872624
0.00029636 -0.00003292 -0.00008797
-0.00173220 -0.01045735 -0.00133448
0.66713324 -0.65187408 -16.92472211
-0.00029956 0.00040346 -0.00026448
0.03285794 -0.00221133 -0.00219822
11.85422560 20.98911812 -23.16380576
0.00031800 -0.00020173 -0.00004724
-0.04329926 -0.06890969 -0.03430021
-11.28742385 15.24791712 -16.26260611
-0.00014001 -0.00006075 -0.00024574
-0.02779335 -0.02726002 0.02174597
4.53892819 17.60811649 10.74667845
0.00033689 0.00013910 -0.00036021
-0.03809294 0.03995396 0.00212856
-2.14830382 -11.09395720 -3.51136775
-0.00018283 0.00006294 -0.00004314
-0.04864090 0.01757011 -0.04595825
1.26154582 -8.14208496 3.78763675
0.00029348 -0.00011148 0.00025980
-0.00491184 0.01534745 0.00811613
9.60573876 1.99404893 8.24456030
-0.00008185 0.00034839 0.00014881
-0.00544234 0.02602309 -0.01537571
-6.95026742 -9.24763501 -3.06818025
-0.00000188 0.00033785 -0.00001970
0.01047675 -0.01615010 0.03936977
3.88736460 -12.34101974 -13.05580544
-0.00008074 0.00034545 -0.00023659
-0.02105765 0.01215058 -0.02163093
1.22298915 -4.55428826 -0.92125330
0.00016915 0.00003665 0.00019307
-0.00943128 -0.00898502 0.01445490
17.07384323 4.50414503 27.12130089
0.00034598 0.00000119 -0.00014936
0.00566728 0.01290102 -0.00854814
-9.65433687 6.06537331 -4.41006522
-0.00016882 0.00002337 0.00026937
-0.01389770 0.02164965 0.02415318
-4.86468184 14.93503678 -9.27131290
0.00031322 0.00001462 -0.00023613
-0.00353179 -0.00178637 0.00348015
2.98291402 12.19416830 -6.87164487
-0.00017757 0.00009103 -0.00010496
0.02630454 0.01338190 -0.01897602
-4.16134103 11.91908419 -13.74899775
0.00011335 0.00021257 0.00009329
0.01445142 0.00941975 -0.00162619
3.86040005 7.27149900 17.34075121
-0.00000985 0.00017257 -0.00012109
0.00272878 -0.00067419 -0.00794010
-15.38624653 8.69471403 -9.09360926
-0.00025790 -0.00014207 -0.00014702
-0.03725638 0.00477360 0.00156777
3.74505992 9.22621392 0.54115200
0.00013753 -0.00002368 0.00014409
0.00374892 -0.02742054 -0.00714377
15.84970167 -24.04154509 -26.68342439
0.00004333 -0.00005965 -0.00006157
0.00484422 0.00481639 0.03880542
5.71223184 4.16316181 0.19497553
-0.00020149 -0.00002387 0.00022178
0.01814954 0.02582121 0.02019410
17.22787126 -5.28085794 0.29037217
0.00024852 -0.00000957 -0.00030299
-0.02431481 -0.01979684 -0.02595346
-4.73019686 2.43067422 -2.47201293
-0.00008971 -0.00014520 0.00035422
0.02062404 0.00306853 -0.01412318
0.81160639 2.48995233 -11.91865028
-0.00015977 0.00030724 -0.00016443
0.01887682 -0.01921647 0.04366348
15.41558921 8.85292873 -7.35415223
-0.00010797 -0.00013538 0.00031229
-0.00336426 0.01734468 0.01024293
-6.42625081 0.99694351 12.79150317
-0.00021821 0.00012595 0.00002092
-0.02434911 0.01705834 0.02517058
-3.54270586 -16.18807815 12.88523132
-0.00013672 -0.00008389 0.00013462
-0.01316347 -0.03406943 -0.02101512
7.05705352 -6.83940367 -6.23712391
-0.00009333 0.00033320 -0.00038844
-0.03149357 -0.00693327 0.00404109
-1.11179717 -11.61793327 1.41243982
0.00000159 -0.00014527 -0.00034688
0.00013719 0.01009624 0.00640094
-16.12975404 -1.77747460 5.36910399
0.00042726 -0.00002061 0.00042142
-0.03603715 -0.01954272 0.02231335
-9.18431200 3.49447340 -22.08419084
-0.00022744 -0.00024653 -0.00036228
0.00197599 -0.03216798 -0.02887973
2.07639848 1.16313161 -1.34696564
-0.00050526 -0.00030347 -0.00008837
-0.01310231 -0.00213211 0.05111014
12.51442306 8.50366079 3.79218093
0.00011983 -0.00015254 -0.00018570
-0.05082653 -0.02055792 -0.01176574
-7.24767671 -4.38084704 2.59157274
0.00163347 -0.00103231 0.00065933
-0.01199805 0.00811604 0.01046001
-10.02736515 -3.81508400 2.25241179
0.00006539 -0.00068098 0.00103615
0.00752728 0.01105167 0.01079538
-16.60857682 5.66328231 6.86867229
0.00058438 -0.00069492 -0.00056667
0.02685737 0.02542395 0.00602302
-17.21385526 3.56202976 4.97029302
-0.00017309 0.00044066 -0.00012960
-0.00625785 0.01211258 0.01587508
-16.30446314 0.80790163 0.51646591
0.00100293 -0.00059790 0.00028597
0.01166767 0.00417908 0.00322191
-16.95987489 -1.83566453 -0.37265210
-0.00026975 -0.00132945 -0.00104876
0.02415714 0.01325982 0.00954569
1.56940566 -21.05711198 14.92013984
0.00017189 -0.00101986 0.00025342
-0.00567289 0.00338039 0.00374331
3.35639969 -18.83124785 15.92719291
0.00039445 0.00028373 0.00078769
-0.00131680 -0.00618014 -0.00444175
8.14487877 14.21323432 -1.20070351
-0.00052368 0.00013869 -0.00002689
0.00395610 -0.00362265 -0.00365109
7.23401788 16.37010003 0.47027477
-0.00073184 -0.00013880 -0.00027610
0.00431330 -0.00040416 -0.03098562
-8.56655855 9.56852368 12.40332475
-0.00026789 -0.00006884 0.00024211
0.00317976 -0.02003847 0.00230531
-10.66309912 11.02565288 11.50169361
-0.00035308 -0.00038109 -0.00023289
-0.02243439 0.03451859 0.00546981
-9.98128522 0.31243199 -14.55870766
0.00067616 0.00002775 0.00032287
0.01518061 -0.01208519 0.00464210
-8.10811740 -1.98296056 -15.39289325
0.00011750 0.00139980 -0.00027624
-0.01123991 0.02827670 0.00924808
-12.16994951 1.11919686 -6.98124689
0.00084452 0.00044958 0.00032733
0.00888146 0.00228999 -0.00096179
-11.16571271 3.60541550 -5.80670364
-0.00079020 0.00025701 0.00025319
0.00449516 0.02756024 0.02098480
-1.95120773 -6.32340884 14.67689792
0.00044801 -0.00037518 0.00038961
-0.00362784 0.00060210 -0.00138465
-0.42276258 -5.63020819 17.18237355
-0.00016086 -0.00002899 0.00056749
0.00221280 -0.00654378 -0.03159285
-24.78706889 -0.44391601 -19.05082696
0.00071147 0.00043892 -0.00020436
-0.00665138 -0.00146782 -0.03241612
-25.59819527 0.87425904 -21.72705554
-0.00010749 0.00001452 -0.00094493
-0.00476161 -0.00693956 0.00174697
9.51854500 8.50152224 6.49486200
0.00006762 -0.00132672 -0.00049225
0.01104827 0.00225978 -0.01132532
10.04402797 7.90008483 9.22338750
-0.00035774 0.00005846 -0.00002451
0.00272294 -0.00088630 -0.00020438
19.83120102 27.56314016 -3.98509865
0.00030538 0.00027030 0.00022206
-0.00877267 -0.01288262 0.01032433
20.29724035 30.37942282 -4.49639582
0.00044696 0.00024321 -0.00057420
-0.00592356 0.02318030 0.00361137
6.11560965 -0.90434379 -7.09825639
-0.00028651 -0.00046159 -0.00063484
-0.04898080 0.02831943 0.00309242
7.44769072 -3.38582095 -7.13275918
0.00080163 -0.00051985 0.00026419
0.00278092 0.01246065 -0.00021986
-8.79432605 -2.25312988 12.33661448
0.00052629 -0.00002464 0.00026888
0.02656461 0.02950741 -0.02888588
-11.09691880 -3.24552231 13.31193397
-0.00054731 -0.00091113 0.00021465
0.00487941 -0.00453604 0.01340622
-1.16403730 -24.24605551 15.06509090
0.00073045 0.00003126 -0.00015028
-0.00029264 0.00897080 -0.01900724
-3.04274420 -22.12144040 14.05912357
-0.00019801 -0.00006247 0.00099293
0.01112892 -0.00708974 -0.00597930
-12.56326347 -8.17220673 -7.12720624
-0.00094350 -0.00049330 -0.00039409
0.01112986 0.00731035 -0.00989296
-10.34611996 -7.24601281 -8.98399383
0.00063528 0.00230005 0.00030796
0.00430730 0.02853132 -0.00474763
-16.21266126 -10.39721172 -15.97196511
0.00015559 -0.00007978 0.00004472
0.00853114 0.03849850 0.01997711
-14.22640504 -8.14969378 -16.21269832
-0.00005451 0.00008303 -0.00003254
-0.00342776 0.00338421 0.00283605
17.27234126 12.88477143 5.36471200
0.00062758 0.00034602 0.00014323
-0.00697785 -0.00589849 -0.00429498
17.23069633 14.26549583 2.77854569
-0.00065130 0.00017890 0.00037344
0.00124191 0.00744405 -0.00567541
18.40774663 -4.33474236 -15.02645795
-0.00040005 -0.00041534 0.00009588
-0.00625788 -0.00496816 0.00244660
20.88436257 -2.99225926 -15.40151474
-0.00136329 -0.00075971 0.00040656
0.00637439 -0.01531255 0.00473525
-1.02662765 7.00512665 -13.58866301
0.00176063 -0.00081967 -0.00062243
0.00185744 0.00023658 -0.00593102
-0.00354567 7.08689348 -16.34575920
-0.00083962 0.00068209 -0.00009450
-0.00584809 0.00604918 0.00911991
0.76807879 0.57719212 -15.56172931
-0.00023151 0.00035310 0.00010335
-0.00028135 0.00317023 0.00322030
2.53274862 -1.04470837 -17.23159723
0.00040507 -0.00019378 0.00048727
-0.03385404 0.00536333 0.00903957
12.33690750 22.42417254 -22.33735281
0.00112614 -0.00011945 0.00044967
0.01420949 0.05966776 0.02904871
9.95931206 21.04911177 -23.25442405
0.00012050 -0.00072570 -0.00054962
0.02737233 0.00063455 0.00252641
-9.96060519 16.04008721 -17.19933464
0.00008052 0.00004422 -0.00099217
0.01492124 0.01285377 -0.01624201
-10.81506743 15.47925345 -14.54285799
0.00003393 0.00086358 0.00031230
-0.00074015 -0.00103232 0.00951728
3.13147132 18.78023321 11.41678740
0.00074745 0.00019202 -0.00023493
0.03746240 -0.03611971 -0.01688899
4.80072640 18.26181916 9.02210623
-0.00048951 0.00069252 -0.00003991
0.00008044 -0.00877393 0.01200019
-4.01401587 -10.42660555 -3.36857205
0.00030401 -0.00037895 -0.00020823
0.05136324 -0.01562021 0.00945636
-1.33684290 -11.45698087 -1.95785083
-0.00018364 -0.00002652 0.00077279
-0.00520528 0.00501440 0.03631902
0.13163076 -7.31251874 4.97642097
-0.00023973 -0.00048615 0.00069884
-0.00414018 0.00543449 -0.00244375
2.72687041 -8.42187088 4.82416766
-0.00104605 0.00003867 0.00033815
0.01650409 -0.00117219 0.00277407
7.93651792 1.89357693 8.99200155
-0.00042625 -0.00020774 -0.00125739
0.00655650 0.00371962 -0.00136283
9.74538248 3.77610962 7.57188754
0.00009404 0.00038150 0.00094024
-0.00684736 -0.02330155 0.01488012
-7.93997221 -8.59104251 -4.40821827
-0.00064007 0.00074921 -0.00020081
-0.02173692 0.00018851 -0.00855916
-7.94433481 -10.26490229 -1.81721242
0.00027349 -0.00002731 -0.00016824
0.00211428 0.01839607 -0.02907731
4.71266226 -13.54690255 -12.05113288
-0.00045280 0.00022153 -0.00035050
0.01918206 -0.01926396 0.01725389
2.43559166 -13.20670125 -13.80448584
-0.00013225 -0.00009923 -0.00021136
-0.00335167 0.00513487 0.00122690
1.31021328 -6.00233208 0.24834779
-0.00023395 0.00111658 -0.00003626
0.00204603 0.01170613 -0.00979217
-0.25289748 -3.66721063 -0.25839766
-0.00037952 -0.00046415 0.00007752
0.00545003 -0.00375478 -0.00355880
17.46004822 3.36214972 25.78066859
-0.00019949 -0.00018224 -0.00006042
0.00139620 -0.00350564 -0.00983449
16.66573043 3.38183004 28.44815225
0.00046849 0.00112517 -0.00075158
-0.00872213 -0.01158214 0.01862866
-10.92681328 7.26223878 -3.65878870
0.00032345 -0.00021415 0.00077997
0.02675735 -0.00591138 -0.01659607
-8.26531464 6.94765235 -5.36171927
0.00004611 -0.00074664 0.00085539
-0.02443896 0.00329600 0.01121226
-6.37350756 15.94423454 -9.13629937
0.00031553 -0.00033150 0.00013745
-0.00012748 0.00521837 0.00204832
-4.80281850 14.38446584 -11.01779564
0.00026937 0.00032591 -0.00009845
0.00750853 -0.00406146 -0.00105275
2.74670525 10.91619567 -5.66998673
-0.00017474 0.00052990 0.00050695
-0.00082566 -0.02668914 0.01879511
1.44721059 13.08477613 -6.97903027
-0.00003244 0.00017299 -0.00017717
-0.02695012 0.02151621 0.00074712
-2.54788570 11.11957430 -14.23013920
0.00129894 0.00006467 -0.00020163
-0.01352403 -0.00300391 0.00655221
-5.28193841 10.60441130 -13.20796277
-0.00024448 0.00018680 0.00057998
-0.00283163 -0.00886631 -0.00110511
4.45196633 7.67001329 19.01300863
0.00041519 -0.00093896 -0.00058002
0.00268185 -0.00005940 0.00876398
2.06753851 6.92583827 17.51966768
0.00050775 -0.00053235 0.00080327
-0.01049091 -0.00098252 0.00050189
-13.60875717 8.68119763 -8.99990859
-0.00149139 -0.00045597 -0.00018181
0.02186764 -0.00684408 0.01407568
-16.32132364 8.44291829 -7.48849953
0.00041693 0.00013921 0.00075681
0.02052927 -0.00332196 -0.01002446
5.03194512 10.43364912 0.52887145
-0.00129838 -0.00029384 0.00095414
0.04137134 0.01542295 -0.00635469
2.39297304 10.19667104 1.12458942
0.00043757 0.00128525 -0.00119148
-0.03896857 0.00196806 0.01115941
14.34079575 -23.77805709 -25.60851501
0.00027501 0.00014317 -0.00017642
0.00540528 -0.00228085 0.00062074
15.09941245 -24.35572055 -28.24594491
0.00064547 -0.00141600 0.00037326
-0.01442390 -0.00862549 -0.03616768
4.28493887 3.50966694 -0.68672198
-0.00073173 0.00075688 0.00105400
-0.02075229 0.00146899 -0.00421992
5.27345091 5.86928640 0.83712547
0.00115029 -0.00056367 0.00101751
0.00016016 -0.01891523 -0.01003582
17.47919776 -3.63663621 -0.51615175
0.00108273 -0.00059320 0.00007268
-0.00226843 -0.00781421 0.00729723
16.21245823 -6.35099608 -0.94406911
-0.00051323 0.00129325 -0.00033662
0.02296525 0.02002026 0.01829616
-6.38471245 2.81703400 -1.81703438
-0.00182880 0.00041595 0.00041426
-0.00794901 0.00271448 0.00552905
-5.01602058 1.21404108 -3.86064306
0.00050453 0.00016720 -0.00073864
-0.00234740 0.00320811 0.01540820
2.54873923 2.84932754 -11.32775249
-0.00019757 -0.00004458 -0.00062418
-0.01677475 0.00258651 -0.01934839
0.28593633 1.44316761 -10.39106972
0.00050316 -0.00128870 0.00059770
-0.00509858 0.01379066 -0.03838148
17.05298088 8.15145806 -7.71683573
0.00017774 -0.00012324 -0.00029521
0.01478120 -0.03212241 -0.01899282
15.98232297 10.50672825 -6.94070718
-0.00121033 0.00025465 0.00090347
-0.00822748 0.02100733 0.01015407
-6.95295625 0.56752707 11.09347201
-0.00107244 0.00101324 0.00064503
-0.00198871 0.00303944 -0.00746239
-8.04476558 1.54843050 13.80062134
-0.00080694 -0.00075366 0.00088030
0.02689162 -0.00707652 -0.02107095
-2.19719614 -16.74312311 14.09706041
-0.00010460 0.00012666 0.00070215
-0.02702424 0.00316268 -0.01512988
-4.80470674 -17.59177646 12.34597720
-0.00055731 -0.00002435 -0.00036993
0.04253439 0.02758258 0.02360016
6.84175019 -6.24324627 -4.50710271
0.00048310 0.00066740 0.00013515
0.01488686 0.00601411 0.01164893
5.47800849 -7.88017115 -6.25286368
-0.00014344 0.00009277 -0.00056760
0.00968531 0.00172387 -0.00875345
-2.79165143 -11.46021454 2.15325593
0.00037530 0.00000914 -0.00062866
-0.00261982 -0.00289448 -0.00217327
-0.29635572 -10.10571653 2.20541338
-0.00040878 -0.00007371 -0.00124131
-0.00420559 -0.01562054 -0.00432364
-14.71972544 -0.89416963 5.95809291
-0.00027360 0.00019647 0.00085690
0.02672854 0.01962240 0.01239197
-15.88928844 -1.90603627 3.59830907
0.00022127 0.00003063 0.00058598
0.00731901 0.00209569 -0.03026670
-9.53940124 4.65495403 -23.43647581
0.00011438 -0.00065247 -0.00051700
-0.00309351 0.00960498 -0.00933457
-8.98914919 4.36736700 -20.59165188
0.00000179 -0.00022047 -0.00027122
0.00468959 0.03151907 0.04258805
2.03631260 1.07730069 -3.10528221
0.00103946 -0.00058548 -0.00047432
-0.00738344 -0.00933304 -0.04015013
0.61866197 0.36045040 -0.51630788
0.00075450 0.00040062 0.00022504
0.01488387 0.01024830 -0.01717244
14.04003159 9.35163254 3.50563408
-0.00002436 -0.00050777 -0.00050132
0.02095703 0.02001672 -0.00764948
11.26763628 8.93201205 2.41752555
0.00063713 -0.00080708 0.00020762
0.02652936 0.00152944 0.01550998
5.41562438 -9.22505604 -10.56498194
-0.00007877 -0.00018770 0.00005233
0.00025974 0.00698322 -0.00883730
-13.00575441 10.41025712 21.24957583
0.00007432 -0.00003018 0.00011062
0.00729974 -0.00089359 -0.00254535
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06698633
0.31593860
420.97234742
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702034884
ExchangeOperator: pair fraction: ispin=0: 0.1844240130
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.4138917749 (a.u.)
total exchange computation time: 3.2713420391 s
-154.3196632608
-931.38252736
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702034884
ExchangeOperator: pair fraction: ispin=0: 0.1844240130
ExchangeOperator: bisection time: 1.788 s
total exchange = -52.4133160943 (a.u.)
total exchange computation time: 3.2746770382 s
-154.3249450913
Anderson extrapolation: theta=1.3404274577 (1.3404274577)
-931.38278122
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702034884
ExchangeOperator: pair fraction: ispin=0: 0.1844240130
ExchangeOperator: bisection time: 1.786 s
total exchange = -52.4124529574 (a.u.)
total exchange computation time: 3.2713389397 s
-154.3325209696
Anderson extrapolation: theta=0.0499468655 (0.0499468655)
-931.38292974
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702034884
ExchangeOperator: pair fraction: ispin=0: 0.1844240130
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.4123351369 (a.u.)
total exchange computation time: 3.2713348866 s
-154.3333781817
Anderson extrapolation: theta=1.8843783633 (1.8843783633)
-931.38293483
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702034884
ExchangeOperator: pair fraction: ispin=0: 0.1844240130
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.4120857654 (a.u.)
total exchange computation time: 3.2700209618 s
-154.3351389266
Anderson extrapolation: theta=0.2157437647 (0.2157437647)
-931.38293978
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702034884
ExchangeOperator: pair fraction: ispin=0: 0.1844240130
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.4120209506 (a.u.)
total exchange computation time: 3.2726640701 s
-154.3355475615
Anderson extrapolation: theta=1.8876823803 (1.8876823803)
-931.38294067
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702034884
ExchangeOperator: pair fraction: ispin=0: 0.1844240130
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.4119140144 (a.u.)
total exchange computation time: 3.2732620239 s
-154.3361617791
Anderson extrapolation: theta=0.2861800636 (0.2861800636)
-931.38294171
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702034884
ExchangeOperator: pair fraction: ispin=0: 0.1844240130
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.4119007745 (a.u.)
total exchange computation time: 3.2701680660 s
-154.3361759460
Anderson extrapolation: theta=1.3141695660 (1.3141695660)
-931.38294196
237.406301 30.616553 202.166943
-142.504040 489.727812 -805.583244
94.902262 520.344365 -603.416301
802.418799
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702034884
ExchangeOperator: pair fraction: ispin=0: 0.1844240130
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.4118979583 (a.u.)
total exchange computation time: 3.2747359276 s
679.43224980
-1084.84308873
89.74266473
-388.38603293
-174.91683701
78.90821229
551.60419304
0.00000000
-931.38294210
-8.78367980 -3.93672603 3.63773823
-0.00005940 -0.00004058 0.00011223
0.03316572 -0.00283964 -0.03643392
-17.82583178 4.42866039 6.49898988
0.00004130 -0.00033230 -0.00016637
-0.01750394 -0.03257047 -0.02127204
-15.54547515 -0.86808279 0.44628606
0.00007119 0.00021619 -0.00022652
-0.03120495 -0.03848340 -0.01989484
3.23004507 -20.62895424 15.54916773
-0.00057123 0.00020442 -0.00026332
0.01374897 0.00580833 0.00912476
7.63756772 15.99433213 -1.33067908
0.00035211 0.00005775 0.00016305
-0.00721067 0.00390934 0.03526214
-9.86795345 9.50272093 11.08724500
-0.00021404 -0.00022487 -0.00018244
0.01356038 -0.01947684 -0.01092591
-8.29315189 -0.47505021 -14.27749652
-0.00031351 0.00009981 -0.00027835
0.00478195 -0.01272699 -0.00506275
-10.79966494 2.36472024 -7.01357858
0.00000390 0.00005533 0.00016600
-0.00392982 -0.03925170 -0.03112287
-0.31383575 -5.74368645 15.28910888
-0.00027321 0.00000504 0.00029449
0.00317157 0.00730219 0.03947404
-25.65447642 -0.69595078 -20.72253200
-0.00038305 -0.00025286 0.00013890
0.02092508 0.01651441 0.02215771
8.87369030 7.51053010 7.85591521
0.00008632 0.00005563 -0.00001731
-0.00909808 -0.01414796 0.00559720
20.79340248 28.69094135 -5.01351058
0.00011329 -0.00032392 -0.00013265
0.02446464 -0.01568360 -0.00505291
7.72638247 -1.54108670 -7.24024313
-0.00008535 0.00005627 -0.00007583
0.04444456 -0.04190072 -0.00311382
-9.26666113 -3.48074811 13.49708061
0.00021574 0.00011980 0.00023568
-0.03692581 -0.02901276 0.01071971
-1.27469116 -22.73792877 13.95349202
0.00008189 0.00009036 0.00021922
-0.01475306 -0.00234466 0.02044914
-11.05028303 -8.64780096 -8.15405031
0.00004462 -0.00022524 0.00034585
-0.00337359 -0.01815786 0.00563580
-15.90185883 -8.55954121 -15.50133002
0.00001187 -0.00008664 0.00000213
-0.00865662 -0.04118402 -0.01879141
16.75696827 12.71885560 3.58846101
0.00043395 0.00018900 0.00002498
0.00260255 -0.00722892 0.00834730
20.17408757 -4.60437273 -14.74898704
-0.00012070 0.00009079 -0.00013736
-0.00000643 0.00703056 -0.00876375
-0.42232433 8.15496915 -14.90005087
0.00029537 -0.00003742 -0.00008817
-0.00210486 -0.00704954 0.00054014
0.66276654 -0.64583077 -16.92869783
-0.00028179 0.00040240 -0.00026532
0.03625476 -0.00188213 -0.00107137
11.85882853 20.98582642 -23.16464662
0.00029619 -0.00023580 -0.00006422
-0.04150443 -0.06360699 -0.03172865
-11.28963123 15.24690072 -16.26620833
-0.00015316 -0.00007416 -0.00023377
-0.02332981 -0.02489446 0.02479878
4.54383457 17.61035714 10.74128348
0.00031741 0.00015945 -0.00035892
-0.03763158 0.03917422 0.00291355
-2.15123384 -11.09294534 -3.51219209
-0.00020633 0.00007133 -0.00006536
-0.04274769 0.01506524 -0.04046777
1.26592914 -8.14369795 3.79156507
0.00028865 -0.00010290 0.00026344
-0.01390692 0.01800755 0.00602671
9.60448996 1.99937514 8.24673319
-0.00008429 0.00036138 0.00014096
-0.00404635 0.02450950 -0.01514828
-6.95025514 -9.24262951 -3.06832390
0.00000276 0.00033018 -0.00000076
0.00754501 -0.01369326 0.03427163
3.88607222 -12.33579115 -13.05943766
-0.00009199 0.00035149 -0.00024791
-0.02267683 0.01136180 -0.02242341
1.22549009 -4.55377313 -0.91830144
0.00016382 0.00003350 0.00019963
-0.01131028 -0.00325738 0.01105240
17.07905484 4.50421257 27.11902751
0.00034950 0.00000948 -0.00015574
0.00800287 0.01934329 -0.01627393
-9.65692282 6.06580740 -4.40593147
-0.00017621 0.00003366 0.00028208
-0.01482386 0.01834673 0.02526458
-4.85999715 14.93524915 -9.27484143
0.00031165 0.00001369 -0.00023394
-0.00258550 -0.00180665 0.00503035
2.98035199 12.19558533 -6.87329247
-0.00016405 0.00009759 -0.00011445
0.02626237 0.01212231 -0.01791564
-4.15958504 11.92230906 -13.74760463
0.00012192 0.00021630 0.00009216
0.01885804 0.00508696 -0.00279321
3.86026275 7.27408499 17.33890430
-0.00000837 0.00017205 -0.00012594
0.00302670 -0.00134540 -0.01093066
-15.39025878 8.69260146 -9.09580854
-0.00028002 -0.00013966 -0.00014554
-0.04874552 0.00458514 0.00420501
3.74713738 9.22575296 0.54328572
0.00013701 -0.00003911 0.00014068
-0.00576546 -0.03259521 -0.00610710
15.85037028 -24.04242129 -26.68419818
0.00004653 -0.00005702 -0.00004123
0.00761808 0.00540566 0.04028171
5.70927948 4.16290338 0.19838018
-0.00019154 -0.00001124 0.00023210
0.02054978 0.02328611 0.01992537
17.23150530 -5.28107786 0.28572722
0.00023603 -0.00002032 -0.00031560
-0.02426739 -0.02199994 -0.02310535
-4.73146300 2.42850808 -2.46675409
-0.00008195 -0.00014336 0.00034751
0.00958131 0.00409631 -0.01199419
0.80928266 2.49448681 -11.92094831
-0.00015084 0.00029623 -0.00014100
0.01583612 -0.02359646 0.04743811
15.41395668 8.85096497 -7.34942836
-0.00010913 -0.00012645 0.00031746
-0.00113398 0.01735324 0.00987051
-6.42961790 0.99889857 12.79191403
-0.00023112 0.00013496 0.00003507
-0.02586038 0.01797837 0.02985126
-3.54480745 -16.18946796 12.88716950
-0.00014350 -0.00010152 0.00012390
-0.01319379 -0.03446735 -0.02066481
7.05553203 -6.83443244 -6.24293495
-0.00010967 0.00032985 -0.00038556
-0.03201477 -0.00608324 0.00714740
-1.11177278 -11.62007341 1.40726135
0.00000207 -0.00014059 -0.00034423
0.00171053 0.00810015 0.00389143
-16.12348414 -1.77785911 5.37551132
0.00040815 -0.00003096 0.00043294
-0.03828192 -0.02071505 0.02250162
-9.18771598 3.49065137 -22.08973651
-0.00022626 -0.00026307 -0.00037629
0.00261705 -0.03216862 -0.02559358
2.06876908 1.15857133 -1.34809409
-0.00051007 -0.00030337 -0.00006395
-0.00560431 0.00251367 0.04386423
12.51602438 8.50129343 3.78935002
0.00009416 -0.00016359 -0.00019086
-0.04898341 -0.02240660 -0.00829988
-7.22354228 -4.39608293 2.60178316
0.00157079 -0.00099457 0.00070590
-0.01868487 0.01035507 0.01233976
-10.02615357 -3.82496004 2.26828487
0.00009095 -0.00063527 0.00107039
0.00498372 0.01132215 0.00596460
-16.59898817 5.65363759 6.86035676
0.00069224 -0.00059180 -0.00054110
0.02594001 0.02505487 0.00649679
-17.21664336 3.56901080 4.96883555
-0.00019757 0.00048542 -0.00007069
-0.00572602 0.00979668 0.01295976
-16.28906168 0.79906119 0.52085426
0.00104159 -0.00056730 0.00029799
0.00725832 0.01079976 0.00266191
-16.96318096 -1.85519995 -0.38809094
-0.00016058 -0.00126370 -0.00100190
0.02928249 0.01892376 0.01339233
1.57181013 -21.07230636 14.92405583
0.00014040 -0.00100417 0.00026632
-0.00974258 0.00430389 0.00257356
3.36227610 -18.82718121 15.93887222
0.00038563 0.00025327 0.00076690
-0.00300087 -0.00873446 -0.00573634
8.13714482 14.21520360 -1.20121873
-0.00050590 0.00011959 -0.00004138
0.00474680 -0.00572316 -0.00344290
7.22317241 16.36800565 0.46518379
-0.00071422 -0.00013969 -0.00039909
0.00431429 -0.00003240 -0.02921822
-8.57047940 9.56687709 12.40702700
-0.00025732 -0.00015082 0.00024917
0.00199303 -0.02009111 0.00114986
-10.66908276 11.02099430 11.49836785
-0.00044461 -0.00023974 -0.00021060
-0.02236875 0.03467356 0.00544192
-9.97067766 0.31247797 -14.55372243
0.00072703 -0.00001691 0.00033888
0.00972111 -0.00977908 0.00319799
-8.10669931 -1.96109709 -15.39675346
0.00007225 0.00150432 -0.00024601
-0.01091010 0.02288766 0.00554904
-12.15700953 1.12601076 -6.97636643
0.00087111 0.00044974 0.00032287
0.00413307 -0.00221309 -0.00122325
-11.17742795 3.61011526 -5.80226275
-0.00076928 0.00036464 0.00033335
0.00574571 0.02512240 0.01825241
-1.94459875 -6.32901812 14.68269966
0.00042584 -0.00037500 0.00038156
-0.00722569 -0.00051166 -0.00255414
-0.42510767 -5.63084353 17.18991774
-0.00015193 -0.00005595 0.00043567
0.00216001 -0.00665343 -0.03293188
-24.77660073 -0.43737713 -19.05488571
0.00068287 0.00043186 -0.00033851
-0.00734807 -0.00199154 -0.03325074
-25.59995358 0.87426413 -21.74117599
-0.00012775 -0.00002231 -0.00093298
-0.00515245 -0.01108641 0.00410454
9.51989786 8.48169067 6.48713120
0.00011564 -0.00131361 -0.00054226
0.01245994 0.00416026 -0.01315701
10.03874529 7.90093452 9.22301361
-0.00034348 0.00005643 -0.00002303
0.00425862 -0.00010607 0.00092792
19.83551284 27.56679995 -3.98145140
0.00026723 0.00021555 0.00026660
-0.00990055 -0.01391741 0.01148079
20.30376316 30.38378134 -4.50489819
0.00042370 0.00033315 -0.00056055
-0.00545970 0.02084600 0.00307273
6.10981102 -0.91039982 -7.10768424
-0.00048579 -0.00034751 -0.00062272
-0.04856758 0.02752084 0.00284289
7.45980040 -3.39323684 -7.12880311
0.00081208 -0.00046275 0.00026289
0.00233534 0.01548744 -0.00041295
-8.78561775 -2.25259525 12.33976257
0.00063251 0.00009521 0.00015154
0.02543279 0.02916047 -0.02855653
-11.10497892 -3.25932824 13.31556447
-0.00051735 -0.00092825 0.00026870
0.00978477 -0.00384673 0.01305393
-1.15308950 -24.24531168 15.06225428
0.00072879 0.00006585 -0.00022653
-0.00052029 0.00796246 -0.01831870
-3.04537329 -22.12259477 14.07383429
-0.00014934 -0.00009219 0.00096756
0.01269406 -0.00745447 -0.00643866
-12.57707494 -8.17938221 -7.13342075
-0.00089487 -0.00046382 -0.00043530
0.01267562 0.00711770 -0.01028032
-10.33645874 -7.21063783 -8.97951988
0.00063674 0.00238345 0.00030721
-0.00359143 0.01229530 0.00438163
-16.21006601 -10.39722865 -15.97068213
0.00019011 0.00007657 0.00012588
0.00836931 0.03803294 0.01974876
-14.22732766 -8.14834464 -16.21309959
-0.00006795 0.00009685 -0.00002085
-0.00315402 0.00337909 0.00288764
17.28154117 12.88978105 5.36672878
0.00059810 0.00032113 0.00012405
-0.00745336 -0.00628820 -0.00509411
17.22096484 14.26840742 2.78397342
-0.00064429 0.00021479 0.00034672
0.00219261 0.01012534 -0.00740447
18.40155408 -4.34112471 -15.02494475
-0.00042288 -0.00043668 0.00010668
-0.00491405 -0.00547720 0.00284042
20.86410849 -3.00412416 -15.39527128
-0.00132981 -0.00080681 0.00041987
0.01001680 -0.00774014 0.00178225
-1.00016122 6.99283880 -13.59818118
0.00176544 -0.00082085 -0.00064144
0.00049624 -0.00081489 -0.00337634
-0.01631919 7.09731016 -16.34689731
-0.00086045 0.00070198 -0.00006648
-0.00434626 0.00368963 0.00460005
0.76459748 0.58258572 -15.56008031
-0.00023310 0.00036367 0.00011383
-0.00049334 0.00200329 0.00190609
2.53778727 -1.04745072 -17.22401113
0.00026067 -0.00017003 0.00052431
-0.03682905 0.00626396 0.00908970
12.35423507 22.42420913 -22.32971761
0.00117783 0.00011124 0.00056105
0.01108964 0.05326102 0.02547460
9.96195836 21.03824569 -23.26259100
0.00023485 -0.00072090 -0.00053761
0.02860350 0.00171820 0.00335612
-9.95894010 16.04114433 -17.21471496
0.00013484 0.00009299 -0.00105197
0.01166458 0.01101896 -0.01302870
-10.81458118 15.49217557 -14.53788179
0.00002822 0.00085820 0.00033904
-0.00205524 -0.00160226 0.00357070
3.14383096 18.78200669 11.41274598
0.00089759 0.00004599 -0.00030159
0.03603583 -0.03536057 -0.01574566
4.79338624 18.27193810 9.02187526
-0.00048723 0.00065660 0.00000523
0.00103581 -0.00880856 0.01009962
-4.00788177 -10.43276841 -3.37140569
0.00050840 -0.00044046 -0.00016951
0.04868630 -0.01448964 0.00949840
-1.33975701 -11.45722509 -1.94514606
-0.00021088 -0.00000378 0.00090947
-0.00813065 0.00612022 0.03058849
0.12790796 -7.31964439 4.98682872
-0.00025331 -0.00046656 0.00068366
-0.00250856 0.00415513 -0.00498743
2.71168545 -8.42132670 4.82932489
-0.00096405 0.00003056 0.00035834
0.02363338 -0.00279706 0.00711006
7.93032514 1.89057482 8.97309898
-0.00040276 -0.00019241 -0.00126113
0.00494246 0.00378611 -0.00047100
9.74658321 3.78111805 7.58644718
0.00006625 0.00028921 0.00099931
-0.00675637 -0.02187365 0.01403433
-7.95023937 -8.57979855 -4.41149272
-0.00072237 0.00074527 -0.00022667
-0.01855071 -0.00211954 -0.00410035
-7.94016774 -10.26474824 -1.82062708
0.00028097 0.00004754 -0.00028599
0.00154732 0.01824339 -0.02856120
4.70645805 -13.54416989 -12.05586170
-0.00037336 0.00014206 -0.00027896
0.01970587 -0.01963565 0.01776634
2.43350515 -13.20803241 -13.80761866
-0.00014354 -0.00007599 -0.00020585
-0.00217119 0.00624528 0.00146955
1.30676667 -5.98522465 0.24750380
-0.00022326 0.00115186 -0.00006766
0.00319119 0.00556287 -0.00557814
-0.25842324 -3.67428791 -0.25734398
-0.00035549 -0.00047851 0.00006132
0.00630934 -0.00327744 -0.00437099
17.45709870 3.35930863 25.77946099
-0.00019352 -0.00019698 -0.00010125
0.00152577 -0.00370804 -0.01015518
16.67249053 3.39835265 28.43744940
0.00042800 0.00106515 -0.00065920
-0.01109801 -0.01779641 0.02659379
-10.92114155 7.25884532 -3.64759763
0.00043026 -0.00023498 0.00071323
0.02552470 -0.00428283 -0.01607756
-8.26537187 6.93655371 -5.34854484
-0.00004965 -0.00072960 0.00089775
-0.02243760 0.00504529 0.00952130
-6.36877844 15.93942192 -9.13417485
0.00031316 -0.00030903 0.00014578
-0.00103652 0.00578374 0.00203121
-4.79854789 14.38923006 -11.01930467
0.00029995 0.00030812 -0.00010593
0.00746278 -0.00464557 -0.00260950
2.74405891 10.92332631 -5.66180661
-0.00017772 0.00042336 0.00058163
-0.00063553 -0.02546026 0.01776529
1.44589809 13.08803032 -6.98166500
-0.00014262 0.00026100 -0.00017414
-0.02698095 0.02156314 0.00074034
-2.52881600 11.12045237 -14.23296283
0.00122961 0.00005707 -0.00017038
-0.02041505 -0.00071961 0.00874231
-5.28569235 10.60694167 -13.19929692
-0.00025087 0.00015460 0.00057318
-0.00029652 -0.00689738 -0.00222212
4.45827630 7.65592700 19.00457692
0.00042997 -0.00093723 -0.00053678
0.00455248 0.00090738 0.01240002
2.07483322 6.91782291 17.53173207
0.00046088 -0.00053689 0.00080436
-0.01245130 -0.00123940 0.00003366
-13.63045787 8.67414834 -9.00220442
-0.00137911 -0.00048402 -0.00012419
0.03309154 -0.00688822 0.01412926
-16.31444059 8.44490464 -7.47745454
0.00050118 0.00012613 0.00071023
0.02070944 -0.00307939 -0.01277688
5.01373714 10.42971407 0.54298878
-0.00110969 -0.00021677 0.00092750
0.05099269 0.02230454 -0.00668599
2.39834243 10.21601016 1.10705914
0.00027817 0.00129011 -0.00114705
-0.03905904 0.00041020 0.01058838
14.34508661 -23.77597945 -25.61114223
0.00029436 0.00013428 -0.00017240
0.00406411 -0.00207221 0.00134698
15.10865254 -24.37722493 -28.24145425
0.00058385 -0.00145290 0.00022100
-0.01574142 -0.00943435 -0.03836474
4.27332706 3.52106520 -0.67104128
-0.00081945 0.00076078 0.00103550
-0.02219057 0.00043896 -0.00483428
5.29071016 5.86025178 0.85208055
0.00114892 -0.00063457 0.00097819
-0.00083240 -0.01579034 -0.00921142
17.49536914 -3.64577365 -0.51483793
0.00107433 -0.00061660 0.00009963
-0.00184173 -0.00364209 0.00589237
16.20546345 -6.33098388 -0.94855769
-0.00042095 0.00137095 -0.00026377
0.02220884 0.01801758 0.01736208
-6.41238799 2.82335641 -1.81065107
-0.00183786 0.00042039 0.00042751
0.00351174 -0.00054255 0.00095682
-5.00852451 1.21664735 -3.87125055
0.00049445 0.00018457 -0.00066985
-0.00258634 0.00529753 0.01826619
2.54526159 2.84873817 -11.33770802
-0.00026237 -0.00003275 -0.00070172
-0.01494195 0.00320421 -0.01861011
0.29332751 1.42425964 -10.38328041
0.00048429 -0.00122471 0.00043165
-0.00413802 0.01753583 -0.04290044
17.05609997 8.14862507 -7.72184587
0.00023277 -0.00024993 -0.00037131
0.01215447 -0.02989372 -0.01826040
15.96391592 10.51119180 -6.92684396
-0.00124354 0.00033565 0.00094369
-0.00803177 0.01863902 0.00953474
-6.96910386 0.58281887 11.10291873
-0.00108143 0.00102351 0.00060696
-0.00240831 0.00198492 -0.01116885
-8.05604564 1.53690874 13.81318010
-0.00069292 -0.00078183 0.00079256
0.02892027 -0.00671225 -0.02187708
-2.19959328 -16.74112629 14.10712899
-0.00021700 0.00013962 0.00063852
-0.02799600 0.00318209 -0.01601532
-4.81176306 -17.59129655 12.34115149
-0.00038153 0.00008943 -0.00027189
0.04351078 0.02811510 0.02438820
6.84945280 -6.23305104 -4.50471848
0.00054338 0.00068800 0.00017546
0.01462304 0.00407087 0.00807993
5.47615370 -7.87872679 -6.26164588
-0.00010268 0.00010184 -0.00060154
0.01026481 0.00271553 -0.00786392
-2.78610219 -11.46016620 2.14375950
0.00035825 -0.00000233 -0.00063498
-0.00572790 -0.00272003 -0.00092053
-0.30261633 -10.10730078 2.18666123
-0.00042309 -0.00013324 -0.00125616
-0.00279849 -0.01352217 -0.00294436
-14.72301046 -0.89062132 5.97132609
-0.00016096 0.00027876 0.00090809
0.02841080 0.02065928 0.01266540
-15.88574515 -1.90551260 3.60617133
0.00025211 0.00003941 0.00046070
0.00777971 0.00220046 -0.03105933
-9.53778039 4.64546130 -23.44451679
0.00010054 -0.00061051 -0.00055731
-0.00367791 0.01093586 -0.01039961
-8.98897858 4.36502582 -20.59441509
0.00002066 -0.00009378 -0.00010179
0.00454399 0.03049577 0.04034832
2.05167825 1.06823257 -3.11362729
0.00100838 -0.00062420 -0.00062882
-0.00783306 -0.00962270 -0.03547978
0.63043550 0.36677375 -0.51345843
0.00080133 0.00043434 0.00016009
0.00804133 0.00625737 -0.01462109
14.04030835 9.34462944 3.49787986
0.00006417 -0.00042472 -0.00053274
0.02238071 0.02063216 -0.00772887
11.27800617 8.91995278 2.42111518
0.00073889 -0.00079840 0.00026425
0.02328042 0.00271826 0.01221054
5.41444358 -9.22785275 -10.56422076
-0.00007865 -0.00018518 0.00004912
0.00038138 0.00707354 -0.00906481
-13.00462694 10.40980290 21.25123071
0.00007601 -0.00003040 0.00011001
0.00728326 -0.00098155 -0.00267762
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06699029
0.31595181
420.98995109
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702761628
ExchangeOperator: pair fraction: ispin=0: 0.1848999459
ExchangeOperator: bisection time: 1.876 s
total exchange = -52.4171377885 (a.u.)
total exchange computation time: 3.3516180515 s
-154.3308930003
-931.38264583
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702761628
ExchangeOperator: pair fraction: ispin=0: 0.1848999459
ExchangeOperator: bisection time: 1.879 s
total exchange = -52.4165065299 (a.u.)
total exchange computation time: 3.3524219990 s
-154.3365242641
Anderson extrapolation: theta=1.3445970688 (1.3445970688)
-931.38289735
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702761628
ExchangeOperator: pair fraction: ispin=0: 0.1848999459
ExchangeOperator: bisection time: 1.874 s
total exchange = -52.4155580037 (a.u.)
total exchange computation time: 3.3516290188 s
-154.3446455671
Anderson extrapolation: theta=0.0519659218 (0.0519659218)
-931.38304555
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702761628
ExchangeOperator: pair fraction: ispin=0: 0.1848999459
ExchangeOperator: bisection time: 1.873 s
total exchange = -52.4154282384 (a.u.)
total exchange computation time: 3.3494820595 s
-154.3455829071
Anderson extrapolation: theta=1.9413452296 (1.9413452296)
-931.38305098
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702761628
ExchangeOperator: pair fraction: ispin=0: 0.1848999459
ExchangeOperator: bisection time: 1.876 s
total exchange = -52.4151486883 (a.u.)
total exchange computation time: 3.3572599888 s
-154.3475470079
Anderson extrapolation: theta=0.2247259080 (0.2247259080)
-931.38305659
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702761628
ExchangeOperator: pair fraction: ispin=0: 0.1848999459
ExchangeOperator: bisection time: 1.876 s
total exchange = -52.4150758302 (a.u.)
total exchange computation time: 3.3497760296 s
-154.3480074309
Anderson extrapolation: theta=1.8508284725 (1.8508284725)
-931.38305766
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702761628
ExchangeOperator: pair fraction: ispin=0: 0.1848999459
ExchangeOperator: bisection time: 1.874 s
total exchange = -52.4149584234 (a.u.)
total exchange computation time: 3.3500440121 s
-154.3486858640
Anderson extrapolation: theta=0.2778585702 (0.2778585702)
-931.38305890
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702761628
ExchangeOperator: pair fraction: ispin=0: 0.1848999459
ExchangeOperator: bisection time: 1.876 s
total exchange = -52.4149447615 (a.u.)
total exchange computation time: 3.3485240936 s
-154.3487001146
Anderson extrapolation: theta=1.2797032178 (1.2797032178)
-931.38305919
237.449736 30.581735 202.238260
-142.494817 489.729398 -805.586460
94.954919 520.311133 -603.348200
802.352268
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702761628
ExchangeOperator: pair fraction: ispin=0: 0.1848999459
ExchangeOperator: bisection time: 1.877 s
total exchange = -52.4149425951 (a.u.)
total exchange computation time: 3.3521280289 s
679.48350751
-1084.94380509
89.73465752
-388.31751964
-174.92495710
78.96369825
551.60419304
0.00000000
-931.38305939
-8.78444287 -3.93734562 3.63928107
-0.00004001 -0.00004259 0.00009429
0.04224507 -0.00498829 -0.03332767
-17.82527973 4.42355028 6.49641225
0.00003264 -0.00034801 -0.00017642
-0.01619230 -0.02852504 -0.01780617
-15.54452760 -0.86498837 0.44281158
0.00005519 0.00019335 -0.00023744
-0.03104971 -0.05034085 -0.02256980
3.22152969 -20.62586549 15.54525306
-0.00056272 0.00020784 -0.00025801
0.01932187 0.00747311 0.01153543
7.64282149 15.99521339 -1.32809729
0.00034830 0.00006011 0.00018041
-0.00760522 0.00529009 0.03224413
-9.87111169 9.49927269 11.08446624
-0.00020690 -0.00023455 -0.00018763
0.01418779 -0.01816834 -0.00923764
-8.29783613 -0.47360212 -14.28169127
-0.00030965 0.00009414 -0.00027950
0.01022256 -0.00932679 0.00058203
-10.79962165 2.36539872 -7.01120864
0.00000280 0.00003718 0.00015093
-0.00034577 -0.03129841 -0.02748193
-0.31792171 -5.74358271 15.29367842
-0.00027067 0.00000911 0.00031518
0.00670937 0.00852854 0.04100688
-25.66014149 -0.69967992 -20.72036298
-0.00037212 -0.00024328 0.00014979
0.02157468 0.02070873 0.02017669
8.87494999 7.51131000 7.85567716
0.00008093 0.00004780 -0.00001436
-0.01184801 -0.01631422 0.00587373
20.79519624 28.68602208 -5.01551986
0.00012590 -0.00033103 -0.00013522
0.02454478 -0.01195638 -0.00492866
7.72527364 -1.54040423 -7.24139257
-0.00006310 0.00003453 -0.00007726
0.04209269 -0.04265072 -0.00244800
-9.26356744 -3.47906306 13.50065712
0.00019603 0.00010511 0.00024087
-0.03971332 -0.02811336 0.00946684
-1.27351976 -22.73658243 13.95685921
0.00007406 0.00008949 0.00022953
-0.01568835 -0.00105134 0.01965505
-11.04962667 -8.65124967 -8.14884089
0.00004443 -0.00023073 0.00034678
0.00262225 -0.00318929 -0.00198439
-15.90171422 -8.56099964 -15.50137057
0.00000745 -0.00010741 -0.00000739
-0.00853507 -0.03960395 -0.01821342
16.76348751 12.72166278 3.58886791
0.00043521 0.00018469 0.00002981
0.00230369 -0.00954131 0.01044076
20.17227702 -4.60298383 -14.75108121
-0.00012211 0.00009237 -0.00014110
-0.00547157 -0.00086157 -0.00579788
-0.41790192 8.15438064 -14.90137134
0.00029416 -0.00004013 -0.00008732
-0.00257814 -0.00348089 0.00274644
0.65867953 -0.63980197 -16.93268182
-0.00026250 0.00040158 -0.00026552
0.03877622 -0.00131651 0.00030415
11.86311127 20.98204401 -23.16573226
0.00027572 -0.00026661 -0.00007952
-0.03809362 -0.05619631 -0.02776314
-11.29201859 15.24569228 -16.26961923
-0.00016392 -0.00008628 -0.00022036
-0.01851319 -0.02223925 0.02734260
4.54845063 17.61290002 10.73591099
0.00029840 0.00017917 -0.00035725
-0.03629109 0.03749622 0.00354640
-2.15449365 -11.09181726 -3.51332863
-0.00022648 0.00007831 -0.00008460
-0.03562593 0.01208508 -0.03435275
1.27020518 -8.14517201 3.79553989
0.00027930 -0.00009301 0.00026601
-0.02243272 0.02047037 0.00396692
9.60320995 2.00489043 8.24878922
-0.00008603 0.00037344 0.00013330
-0.00269198 0.02237831 -0.01466363
-6.95018466 -9.23772966 -3.06820316
0.00000589 0.00032392 0.00001534
0.00462575 -0.01065181 0.02835038
3.88460489 -12.33047491 -13.06324286
-0.00010387 0.00035692 -0.00025944
-0.02353067 0.00974344 -0.02237994
1.22790377 -4.55328313 -0.91526432
0.00015757 0.00003339 0.00020430
-0.01300082 0.00281636 0.00709616
17.08432818 4.50442934 27.11662857
0.00035419 0.00002088 -0.00016601
0.01025372 0.02501375 -0.02364641
-9.65962313 6.06638303 -4.40160281
-0.00018405 0.00004211 0.00029533
-0.01565934 0.01451075 0.02626503
-4.85533242 14.93544758 -9.27833116
0.00031055 0.00001277 -0.00023098
-0.00169874 -0.00178356 0.00649678
2.97799257 12.19709588 -6.87507828
-0.00015088 0.00010344 -0.00012320
0.02496260 0.01063590 -0.01610460
-4.15768356 11.92557318 -13.74623306
0.00013251 0.00021786 0.00009050
0.02234846 0.00097578 -0.00364434
3.86014881 7.27666061 17.33697307
-0.00000682 0.00017121 -0.00013221
0.00300134 -0.00194351 -0.01347677
-15.39464709 8.69052428 -9.09797538
-0.00030769 -0.00013732 -0.00014279
-0.05885473 0.00451974 0.00646363
3.74917035 9.22504054 0.54537233
0.00013164 -0.00005673 0.00013786
-0.01512099 -0.03592976 -0.00483842
15.85109765 -24.04325579 -26.68466122
0.00005099 -0.00005419 -0.00002062
0.00972728 0.00561707 0.03986201
5.70648566 4.16282459 0.20193855
-0.00018053 -0.00000014 0.00024208
0.02225686 0.01986744 0.01889699
17.23495213 -5.28146751 0.28090402
0.00022366 -0.00003214 -0.00032660
-0.02382268 -0.02398489 -0.01966267
-4.73265522 2.42637354 -2.46158777
-0.00007957 -0.00014097 0.00034183
-0.00035591 0.00520053 -0.01009195
0.80708110 2.49883924 -11.92288037
-0.00014354 0.00028310 -0.00011595
0.01254937 -0.02744955 0.04997198
15.41231541 8.84913509 -7.34462834
-0.00010898 -0.00011747 0.00032244
0.00172101 0.01757143 0.00947596
-6.43318449 1.00099233 12.79255519
-0.00024469 0.00014434 0.00005142
-0.02691595 0.01848176 0.03375613
-3.54701083 -16.19112368 12.88894825
-0.00015024 -0.00011912 0.00011334
-0.01302773 -0.03399300 -0.02037955
7.05376356 -6.82950814 -6.24869085
-0.00012617 0.00032700 -0.00038108
-0.03215316 -0.00502228 0.01029823
-1.11173518 -11.62215106 1.40211291
0.00000328 -0.00013704 -0.00034292
0.00302652 0.00571811 0.00119910
-16.11750958 -1.77840342 5.38209224
0.00038826 -0.00004173 0.00044442
-0.03905986 -0.02116771 0.02214974
-9.19109977 3.48658116 -22.09547963
-0.00022470 -0.00027926 -0.00038820
0.00345237 -0.03076972 -0.02071227
2.06109643 1.15403045 -1.34888413
-0.00051080 -0.00030080 -0.00004384
0.00276533 0.00750175 0.03432538
12.51724781 8.49875322 3.78645508
0.00006990 -0.00017547 -0.00019410
-0.04533579 -0.02378990 -0.00429035
-7.20055297 -4.41068420 2.61274985
0.00148235 -0.00094807 0.00075894
-0.02460686 0.01240832 0.01361995
-10.02463655 -3.83414220 2.28452350
0.00010531 -0.00058848 0.00108416
0.00204276 0.01158391 0.00077432
-16.58780976 5.64552838 6.85243940
0.00079408 -0.00049239 -0.00051421
0.02391527 0.02360529 0.00666410
-17.21978239 3.57659223 4.96817234
-0.00021945 0.00052011 -0.00002488
-0.00498556 0.00718588 0.00946207
-16.27321539 0.79088264 0.52540575
0.00106218 -0.00050923 0.00030789
0.00281864 0.01762498 0.00218207
-16.96469242 -1.87357560 -0.40270902
-0.00003278 -0.00117619 -0.00094056
0.03327941 0.02391171 0.01663198
1.57361752 -21.08723696 14.92812953
0.00009271 -0.00098490 0.00027460
-0.01360009 0.00512918 0.00147610
3.36796859 -18.82364986 15.95019997
0.00037004 0.00021301 0.00074096
-0.00463060 -0.01097121 -0.00696379
8.12970178 14.21682214 -1.20194495
-0.00048506 0.00009230 -0.00005504
0.00545342 -0.00763898 -0.00324122
7.21259136 16.36590929 0.45830214
-0.00069704 -0.00013873 -0.00051323
0.00409228 0.00050054 -0.02665386
-8.57427811 9.56399919 12.41079972
-0.00025168 -0.00023278 0.00025156
0.00076911 -0.02003010 0.00002217
-10.67643729 11.01846073 11.49537561
-0.00053406 -0.00010076 -0.00018903
-0.02142020 0.03335659 0.00511874
-9.95947434 0.31192464 -14.54854122
0.00075433 -0.00005137 0.00034895
0.00364275 -0.00708853 0.00173082
-8.10594985 -1.93783093 -15.40027359
0.00002882 0.00158521 -0.00023223
-0.01035076 0.01670591 0.00119522
-12.14381626 1.13268903 -6.97156093
0.00087760 0.00043089 0.00031749
-0.00095650 -0.00701446 -0.00141044
-11.18879106 3.61635467 -5.79670325
-0.00074274 0.00046052 0.00040070
0.00724639 0.02181332 0.01471869
-1.93843261 -6.33465876 14.68834486
0.00038935 -0.00037930 0.00036882
-0.01063397 -0.00159447 -0.00368348
-0.42732037 -5.63188665 17.19544366
-0.00014330 -0.00008321 0.00030022
0.00206088 -0.00669089 -0.03337135
-24.76658290 -0.43096031 -19.06098227
0.00065208 0.00042281 -0.00047460
-0.00772181 -0.00243679 -0.03336586
-25.60202766 0.87358978 -21.75504489
-0.00014959 -0.00007518 -0.00091185
-0.00554042 -0.01479488 0.00623751
9.52201434 8.46211407 6.47859405
0.00016917 -0.00129344 -0.00059922
0.01373908 0.00570946 -0.01472192
10.03372360 7.90177770 9.22269659
-0.00032299 0.00005759 -0.00001707
0.00577019 0.00067665 0.00199082
19.83921789 27.56960680 -3.97710054
0.00022525 0.00015758 0.00031507
-0.01064603 -0.01446403 0.01224262
20.30995138 30.38941743 -4.51321226
0.00040263 0.00041230 -0.00054934
-0.00485603 0.01789667 0.00241570
6.10103586 -0.91476920 -7.11693786
-0.00067828 -0.00023871 -0.00061196
-0.04565722 0.02573998 0.00242313
7.47205320 -3.39970357 -7.12487235
0.00082039 -0.00039433 0.00026084
0.00173265 0.01800411 -0.00059032
-8.77535076 -2.25027349 12.34116055
0.00073277 0.00021071 0.00003825
0.02364668 0.02737639 -0.02689856
-11.11243937 -3.27336991 13.31999500
-0.00046836 -0.00094214 0.00032112
0.01419949 -0.00295041 0.01260696
-1.14217359 -24.24407987 15.05829499
0.00072623 0.00009558 -0.00029938
-0.00073423 0.00658937 -0.01734259
-3.04722441 -22.12420598 14.08815041
-0.00009501 -0.00012315 0.00094043
0.01390141 -0.00770179 -0.00684069
-12.59010958 -8.18612147 -7.14026530
-0.00084041 -0.00043508 -0.00047772
0.01398485 0.00695101 -0.01048524
-10.32701764 -7.17450932 -8.97477740
0.00060788 0.00240331 0.00034120
-0.01053597 -0.00257360 0.01225522
-16.20695783 -10.39491469 -15.96818883
0.00022364 0.00022887 0.00020551
0.00803982 0.03651982 0.01923430
-14.22844357 -8.14678840 -16.21332389
-0.00008018 0.00011068 -0.00000900
-0.00283165 0.00339434 0.00291577
17.29028429 12.89440528 5.36843336
0.00056686 0.00029476 0.00010203
-0.00783925 -0.00661825 -0.00568205
17.21136774 14.27193955 2.78894736
-0.00063372 0.00026089 0.00031341
0.00298138 0.01244017 -0.00890232
18.39506036 -4.34784274 -15.02325746
-0.00043989 -0.00046003 0.00011909
-0.00341524 -0.00595230 0.00323081
20.84446830 -3.01646344 -15.38891859
-0.00128108 -0.00082132 0.00042049
0.01383638 0.00063521 -0.00148085
-0.97366438 6.98050100 -13.60790628
0.00176487 -0.00082638 -0.00065008
-0.00077615 -0.00188789 -0.00085204
-0.02935907 7.10795296 -16.34775350
-0.00087515 0.00071193 -0.00005755
-0.00285110 0.00117813 -0.00023049
0.76108593 0.58810210 -15.55831450
-0.00023558 0.00036939 0.00011879
-0.00072517 0.00079870 0.00052509
2.54056881 -1.04980918 -17.21586795
0.00010592 -0.00014299 0.00056111
-0.03892571 0.00697156 0.00892266
12.37224227 22.42750989 -22.32052117
0.00121514 0.00031154 0.00065515
0.00717754 0.04478720 0.02058506
9.96635765 21.02748490 -23.27055226
0.00035258 -0.00071174 -0.00052237
0.02902381 0.00276528 0.00410045
-9.95656013 16.04287677 -17.23089375
0.00017507 0.00013384 -0.00109791
0.00802971 0.00897778 -0.00945956
-10.81422088 15.50499949 -14.53268676
0.00001723 0.00085037 0.00034179
-0.00332190 -0.00223029 -0.00222610
3.15839911 18.78161306 11.40773956
0.00104007 -0.00009536 -0.00036262
0.03370864 -0.03383146 -0.01412774
4.78610957 18.28151720 9.02226326
-0.00048096 0.00062081 0.00004195
0.00203146 -0.00871209 0.00787096
-3.99876388 -10.43981929 -3.37365722
0.00069974 -0.00049666 -0.00013069
0.04497648 -0.01302214 0.00950066
-1.34316941 -11.45709422 -1.93056664
-0.00025037 0.00002365 0.00102158
-0.01119619 0.00730788 0.02428920
0.12403143 -7.32651539 4.99693080
-0.00026026 -0.00045205 0.00065830
-0.00089113 0.00294700 -0.00742621
2.69794890 -8.42095394 4.83491786
-0.00085385 0.00001604 0.00039594
0.03031039 -0.00431469 0.01129727
7.92443525 1.88780475 8.95416755
-0.00038592 -0.00017688 -0.00126128
0.00329936 0.00381172 0.00040097
9.74736988 3.78478593 7.60186693
0.00003902 0.00020406 0.00105443
-0.00657364 -0.01980854 0.01294502
-7.96164343 -8.56868448 -4.41501847
-0.00079104 0.00073167 -0.00023384
-0.01506415 -0.00453885 0.00059280
-7.93590584 -10.26347613 -1.82579215
0.00028542 0.00012084 -0.00040045
0.00063091 0.01764050 -0.02746496
4.70146154 -13.54264064 -12.05950170
-0.00029314 0.00006299 -0.00020692
0.01956050 -0.01907043 0.01749567
2.43128558 -13.20898083 -13.81066141
-0.00015013 -0.00004838 -0.00019943
-0.00105774 0.00726970 0.00167489
1.30351562 -5.96777630 0.24631795
-0.00020785 0.00116105 -0.00008088
0.00435120 -0.00106317 -0.00089322
-0.26356231 -3.68156605 -0.25655818
-0.00032836 -0.00049066 0.00004197
0.00697404 -0.00266809 -0.00509756
17.45424268 3.35624029 25.77763103
-0.00018719 -0.00021218 -0.00014275
0.00157327 -0.00373308 -0.01015710
16.67857047 3.41378457 28.42837638
0.00037820 0.00098093 -0.00053565
-0.01327789 -0.02343122 0.03388077
-10.91390551 7.25518939 -3.63739190
0.00053090 -0.00024831 0.00064931
0.02374114 -0.00224391 -0.01520881
-8.26680420 6.92576427 -5.33478689
-0.00013629 -0.00070518 0.00093266
-0.01997281 0.00690973 0.00757058
-6.36411285 15.93496376 -9.13192584
0.00030729 -0.00028446 0.00015397
-0.00183548 0.00624095 0.00197628
-4.79381991 14.39370958 -11.02097362
0.00033027 0.00028808 -0.00011952
0.00737879 -0.00516560 -0.00404132
2.74137362 10.92889660 -5.65253772
-0.00017963 0.00032369 0.00065029
-0.00030085 -0.02333121 0.01584196
1.44293204 13.09260603 -6.98425435
-0.00025059 0.00034781 -0.00017088
-0.02587117 0.02093014 0.00085547
-2.51099747 11.12128634 -14.23525068
0.00113391 0.00005807 -0.00013074
-0.02642802 0.00120898 0.01066076
-5.28946447 10.60904932 -13.19076725
-0.00024684 0.00013073 0.00056175
0.00227078 -0.00478687 -0.00337630
4.46486529 7.64189632 18.99690516
0.00045211 -0.00093184 -0.00047953
0.00628786 0.00173075 0.01562574
2.08136484 6.90973159 17.54379853
0.00040687 -0.00054235 0.00080353
-0.01398765 -0.00143471 -0.00044153
-13.65013052 8.66667690 -9.00363433
-0.00122293 -0.00051235 -0.00006663
0.04335935 -0.00697947 0.01404653
-16.30628834 8.44670227 -7.46719260
0.00058534 0.00011392 0.00065340
0.02049083 -0.00289974 -0.01504120
4.99865431 10.42714598 0.55669636
-0.00088473 -0.00011378 0.00089999
0.05913029 0.02810815 -0.00677700
2.40131805 10.23537442 1.09017779
0.00012120 0.00128697 -0.00110596
-0.03777923 -0.00194605 0.00952608
14.34962654 -23.77402882 -25.61368691
0.00030792 0.00012625 -0.00016536
0.00257362 -0.00185759 0.00209960
15.11692790 -24.39930751 -28.23931481
0.00051850 -0.00149236 0.00006360
-0.01624478 -0.00988285 -0.03868473
4.26035527 3.53249036 -0.65565685
-0.00091155 0.00076109 0.00101541
-0.02288957 -0.00028974 -0.00500225
5.30791840 5.85024943 0.86647111
0.00114343 -0.00069156 0.00094285
-0.00185117 -0.01210702 -0.00808848
17.51142765 -3.65513430 -0.51316298
0.00106791 -0.00062260 0.00012068
-0.00130040 0.00070897 0.00441553
16.19982977 -6.30986745 -0.95198222
-0.00033276 0.00143968 -0.00019581
0.02096194 0.01562355 0.01590637
-6.43984832 2.82964557 -1.80420912
-0.00180227 0.00041207 0.00042328
0.01391206 -0.00352860 -0.00302573
-5.00118695 1.21957828 -3.88073858
0.00048331 0.00020981 -0.00059013
-0.00286647 0.00705792 0.02076007
2.54086821 2.84834517 -11.34880410
-0.00031853 -0.00001824 -0.00077581
-0.01255094 0.00389520 -0.01765762
0.30046509 1.40642637 -10.37812031
0.00046873 -0.00114659 0.00024926
-0.00347891 0.02070563 -0.04637824
17.05996395 8.14396001 -7.72797513
0.00027580 -0.00036670 -0.00044396
0.00890877 -0.02726590 -0.01729965
15.94501663 10.51679767 -6.91239639
-0.00127600 0.00040567 0.00098096
-0.00785458 0.01563800 0.00870604
-6.98539906 0.59823231 11.11168095
-0.00109197 0.00102984 0.00055457
-0.00275242 0.00111368 -0.01447970
-8.06555329 1.52497562 13.82439809
-0.00057166 -0.00080811 0.00070221
0.03044034 -0.00615313 -0.02234740
-2.20370618 -16.73893444 14.11621606
-0.00033222 0.00015235 0.00057222
-0.02840423 0.00304855 -0.01644184
-4.81615278 -17.58909359 12.33782044
-0.00020331 0.00020397 -0.00017139
0.04373209 0.02795399 0.02480968
6.85805161 -6.22260631 -4.50183906
0.00060239 0.00070053 0.00020100
0.01426200 0.00206313 0.00442231
5.47492801 -7.87711601 -6.27091003
-0.00006011 0.00011466 -0.00063171
0.01057319 0.00355883 -0.00690427
-2.78090399 -11.46028457 2.13420665
0.00032860 -0.00001306 -0.00063619
-0.00878539 -0.00253250 0.00032460
-0.30904845 -10.10971375 2.16772863
-0.00043129 -0.00018332 -0.00126503
-0.00121454 -0.01099315 -0.00139796
-14.72455429 -0.88580688 5.98533549
-0.00004416 0.00036357 0.00095917
0.02876303 0.02085710 0.01234121
-15.88172506 -1.90485408 3.61213009
0.00028454 0.00004888 0.00033453
0.00809349 0.00243862 -0.03070141
-9.53638495 4.63663878 -23.45319513
0.00008449 -0.00056374 -0.00060129
-0.00417916 0.01195971 -0.01112890
-8.98852949 4.36455360 -20.59470551
0.00003838 0.00002647 0.00005458
0.00413329 0.02836899 0.03619394
2.06656385 1.05857471 -3.12414680
0.00097540 -0.00066380 -0.00076099
-0.00830793 -0.00976093 -0.02922061
0.64270185 0.37348058 -0.51150504
0.00081851 0.00045075 0.00010697
0.00036730 0.00177602 -0.01138599
14.04195673 9.33889079 3.48965197
0.00015599 -0.00034051 -0.00056383
0.02256545 0.02059130 -0.00749182
11.28980283 8.90806009 2.42545315
0.00082591 -0.00078458 0.00030589
0.01932089 0.00404381 0.00816988
5.41326483 -9.23061149 -10.56350825
-0.00007850 -0.00018263 0.00004584
0.00048705 0.00715721 -0.00928067
-13.00347411 10.40934525 21.25287626
0.00007770 -0.00003063 0.00010938
0.00724855 -0.00105133 -0.00280492
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06715330
0.31590610
420.92903509
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702761628
ExchangeOperator: pair fraction: ispin=0: 0.1848999459
ExchangeOperator: bisection time: 1.875 s
total exchange = -52.4192117328 (a.u.)
total exchange computation time: 3.2646939754 s
-154.3396253886
-931.38249306
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702761628
ExchangeOperator: pair fraction: ispin=0: 0.1848999459
ExchangeOperator: bisection time: 1.880 s
total exchange = -52.4185633328 (a.u.)
total exchange computation time: 3.2669157982 s
-154.3454151784
Anderson extrapolation: theta=1.3444460278 (1.3444460278)
-931.38274037
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1856354786
ExchangeOperator: bisection time: 1.877 s
total exchange = -52.4177033201 (a.u.)
total exchange computation time: 3.2734289169 s
-154.3538049842
Anderson extrapolation: theta=0.0331998561 (0.0331998561)
-931.38298498
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1856354786
ExchangeOperator: bisection time: 1.878 s
total exchange = -52.4175899070 (a.u.)
total exchange computation time: 3.2773540020 s
-154.3546473479
Anderson extrapolation: theta=2.2996990380 (2.0000000000)
-931.38299092
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1856354786
ExchangeOperator: bisection time: 1.879 s
total exchange = -52.4173278414 (a.u.)
total exchange computation time: 3.2777318954 s
-154.3565634801
Anderson extrapolation: theta=0.3309939148 (0.3309939148)
-931.38299810
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1856354786
ExchangeOperator: bisection time: 1.874 s
total exchange = -52.4172306645 (a.u.)
total exchange computation time: 3.2761070728 s
-154.3572377726
Anderson extrapolation: theta=1.1809133572 (1.1809133572)
-931.38299960
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1856354786
ExchangeOperator: bisection time: 1.875 s
total exchange = -52.4171314725 (a.u.)
total exchange computation time: 3.2768309116 s
-154.3578743187
Anderson extrapolation: theta=0.5103876865 (0.5103876865)
-931.38300081
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1856354786
ExchangeOperator: bisection time: 1.877 s
total exchange = -52.4171023407 (a.u.)
total exchange computation time: 3.2757670879 s
-154.3580016281
Anderson extrapolation: theta=0.8266433885 (0.8266433885)
-931.38300124
237.504693 30.560178 202.304270
-142.482195 489.735536 -805.591092
95.022499 520.295715 -603.286821
802.304116
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1856354786
ExchangeOperator: bisection time: 1.875 s
total exchange = -52.4170973114 (a.u.)
total exchange computation time: 3.2733178139 s
679.52170059
-1085.01705464
89.72786520
-388.26741386
-174.93100140
79.00445998
551.60419304
0.00000000
-931.38300143
-8.78488004 -3.93800370 3.64056680
-0.00001607 -0.00004565 0.00007813
0.05085575 -0.00692605 -0.02951226
-17.82485260 4.41822010 6.49369725
0.00002485 -0.00036135 -0.00018449
-0.01410180 -0.02336674 -0.01358469
-15.54381959 -0.86228231 0.43916298
0.00003947 0.00016460 -0.00024960
-0.03004343 -0.06144600 -0.02473177
3.21316338 -20.62271910 15.54142738
-0.00055149 0.00021203 -0.00025152
0.02435515 0.00883314 0.01370704
7.64801660 15.99613547 -1.32526675
0.00034437 0.00006308 0.00019604
-0.00767951 0.00626388 0.02853890
-9.87416046 9.49568429 11.08161621
-0.00019965 -0.00024325 -0.00019189
0.01402353 -0.01565282 -0.00732659
-8.30244149 -0.47222598 -14.28588152
-0.00030292 0.00009031 -0.00027759
0.01596539 -0.00557561 0.00684740
-10.79958102 2.36583575 -7.00905071
0.00000353 0.00002333 0.00013785
0.00320465 -0.02258340 -0.02337968
-0.32195592 -5.74341318 15.29856432
-0.00026639 0.00001377 0.00033643
0.00994621 0.00959501 0.04160951
-25.66564013 -0.70324930 -20.71803830
-0.00036094 -0.00023169 0.00015956
0.02190121 0.02436913 0.01781670
8.87611829 7.51196405 7.85548443
0.00007423 0.00003899 -0.00001142
-0.01420290 -0.01792473 0.00555137
20.79717936 28.68101057 -5.01756717
0.00013841 -0.00033623 -0.00013760
0.02413056 -0.00827821 -0.00431521
7.72448953 -1.54005079 -7.24256090
-0.00004258 0.00001274 -0.00007832
0.03771167 -0.04206713 -0.00169638
-9.26078013 -3.47759490 13.50430667
0.00017518 0.00009115 0.00024514
-0.04139361 -0.02617925 0.00712864
-1.27246940 -22.73524420 13.96037803
0.00006584 0.00008933 0.00023937
-0.01628460 0.00045397 0.01861112
-11.04895008 -8.65472298 -8.14364677
0.00004710 -0.00022898 0.00034411
0.00775409 0.01003022 -0.00840758
-15.90163545 -8.56276359 -15.50155163
0.00000311 -0.00012713 -0.00001654
-0.00831117 -0.03707474 -0.01738269
16.77002452 12.72439636 3.58935535
0.00043635 0.00017929 0.00003559
0.00212693 -0.01146086 0.01202735
20.17042426 -4.60160158 -14.75322011
-0.00012637 0.00008974 -0.00014327
-0.01110606 -0.00936537 -0.00262332
-0.41349940 8.15376527 -14.90267062
0.00029270 -0.00004100 -0.00008528
-0.00313400 0.00008265 0.00521339
0.65489167 -0.63378333 -16.93666346
-0.00024211 0.00040110 -0.00026496
0.04051346 -0.00055491 0.00186571
11.86710014 20.97782807 -23.16703208
0.00025734 -0.00029328 -0.00009253
-0.03338749 -0.04752481 -0.02286374
-11.29454878 15.24431226 -16.27281920
-0.00017218 -0.00009701 -0.00020578
-0.01360212 -0.01946562 0.02937595
4.55278672 17.61573216 10.73056586
0.00028030 0.00019780 -0.00035532
-0.03410473 0.03497585 0.00396419
-2.15802830 -11.09059595 -3.51473019
-0.00024270 0.00008366 -0.00010064
-0.02745248 0.00871576 -0.02801084
1.27430815 -8.14648814 3.79954531
0.00026579 -0.00008191 0.00026758
-0.03011759 0.02267147 0.00213438
9.60190916 2.01057837 8.25073211
-0.00008709 0.00038426 0.00012594
-0.00143741 0.01968504 -0.01395491
-6.95007848 -9.23291198 -3.06786370
0.00000756 0.00031933 0.00002826
0.00187322 -0.00717069 0.02190038
3.88295602 -12.32508351 -13.06722073
-0.00011601 0.00036132 -0.00027074
-0.02367115 0.00736577 -0.02156062
1.23021715 -4.55277140 -0.91217245
0.00015050 0.00003644 0.00020683
-0.01449118 0.00905438 0.00272466
17.08968063 4.50483908 27.11404721
0.00035998 0.00003493 -0.00017986
0.01225879 0.02959964 -0.03021374
-9.66244425 6.06707061 -4.39707153
-0.00019229 0.00004847 0.00030908
-0.01641111 0.01022351 0.02718299
-4.85068079 14.93563225 -9.28177076
0.00030988 0.00001187 -0.00022729
-0.00090205 -0.00172741 0.00784020
2.97582572 12.19868848 -6.87698833
-0.00013866 0.00010850 -0.00013086
0.02255051 0.00905847 -0.01368467
-4.15560968 11.92884483 -13.74488961
0.00014469 0.00021738 0.00008848
0.02499397 -0.00282876 -0.00420389
3.86005802 7.27922123 17.33493786
-0.00000536 0.00017007 -0.00013965
0.00267776 -0.00246811 -0.01543526
-15.39948944 8.68848196 -9.10009235
-0.00034005 -0.00013498 -0.00013899
-0.06696984 0.00456978 0.00834091
3.75108667 9.22405093 0.54742161
0.00012168 -0.00007550 0.00013574
-0.02360394 -0.03704931 -0.00343130
15.85190006 -24.04404696 -26.68481672
0.00005636 -0.00005136 -0.00000069
0.01115870 0.00539262 0.03762522
5.70386355 4.16289907 0.20564270
-0.00016883 0.00000899 0.00025136
0.02323602 0.01566191 0.01715769
17.23821517 -5.28204219 0.27592913
0.00021162 -0.00004492 -0.00033571
-0.02299682 -0.02569500 -0.01573853
-4.73385019 2.42427913 -2.45649932
-0.00008198 -0.00013799 0.00033706
-0.00900463 0.00635418 -0.00844373
0.80497636 2.50297992 -11.92442691
-0.00013799 0.00026811 -0.00008987
0.00903320 -0.03084362 0.05146801
15.41068742 8.84744077 -7.33975522
-0.00010725 -0.00010833 0.00032721
0.00498396 0.01799375 0.00908743
-6.43695872 1.00322867 12.79345676
-0.00025873 0.00015387 0.00006957
-0.02765319 0.01860560 0.03681577
-3.54931471 -16.19304164 12.89056978
-0.00015685 -0.00013628 0.00010291
-0.01267788 -0.03273375 -0.02019190
7.05174704 -6.82462259 -6.25436731
-0.00014265 0.00032473 -0.00037498
-0.03195413 -0.00380320 0.01340305
-1.11167424 -11.62418460 1.39697372
0.00000509 -0.00013479 -0.00034302
0.00400436 0.00301382 -0.00160241
-16.11183635 -1.77911104 5.38884405
0.00036833 -0.00005255 0.00045561
-0.03844024 -0.02091431 0.02135275
-9.19445692 3.48227358 -22.10138254
-0.00022268 -0.00029441 -0.00039729
0.00440387 -0.02814680 -0.01461460
2.05344513 1.14954744 -1.34940937
-0.00050703 -0.00029559 -0.00002907
0.01186891 0.01275242 0.02311170
12.51812149 8.49602947 3.78352705
0.00004800 -0.00018789 -0.00019523
-0.03983820 -0.02453818 -0.00009445
-7.17907172 -4.42452501 2.62455124
0.00137130 -0.00089359 0.00081608
-0.02975381 0.01426150 0.01435141
-10.02299435 -3.84261442 2.30080958
0.00010707 -0.00054064 0.00107627
-0.00118222 0.01183198 -0.00463404
-16.57516567 5.63886585 6.84493044
0.00088563 -0.00040083 -0.00048717
0.02089903 0.02121314 0.00657408
-17.22322697 3.58461407 4.96808902
-0.00023794 0.00054366 0.00000560
-0.00406301 0.00434224 0.00545861
-16.25719636 0.78378425 0.53009097
0.00106492 -0.00042353 0.00031598
-0.00147433 0.02432683 0.00177876
-16.96416431 -1.89048580 -0.41630778
0.00010919 -0.00106971 -0.00086721
0.03621435 0.02821181 0.01927584
1.57459141 -21.10185322 14.93229370
0.00003000 -0.00096237 0.00027865
-0.01709455 0.00589562 0.00050862
3.37337729 -18.82079091 15.96110094
0.00034795 0.00016441 0.00071019
-0.00618461 -0.01281959 -0.00809477
8.12259296 14.21797251 -1.20286982
-0.00046154 0.00005770 -0.00006789
0.00606064 -0.00929685 -0.00304919
7.20226110 16.36384361 0.44978698
-0.00068127 -0.00013529 -0.00061534
0.00363084 0.00118458 -0.02333041
-8.57802968 9.55989372 12.41457380
-0.00025103 -0.00031427 0.00024947
-0.00045214 -0.01985966 -0.00104432
-10.68510458 11.01797146 11.49269707
-0.00061794 0.00003005 -0.00016932
-0.01963982 0.03067608 0.00452598
-9.94804777 0.31093687 -14.54325392
0.00075577 -0.00007415 0.00035305
-0.00293925 -0.00406448 0.00027563
-8.10583476 -1.91354093 -15.40372047
-0.00001187 0.00163944 -0.00023750
-0.00956750 0.00984273 -0.00377128
-12.13068161 1.13893741 -6.96684187
0.00086293 0.00039213 0.00031150
-0.00622090 -0.01196003 -0.00151831
-11.19971007 3.62393093 -5.79024169
-0.00070970 0.00054156 0.00045245
0.00892527 0.01785502 0.01061316
-1.93291819 -6.34039712 14.69376432
0.00033961 -0.00038785 0.00035165
-0.01371586 -0.00259170 -0.00472418
-0.42940678 -5.63333982 17.19892438
-0.00013517 -0.00011048 0.00016482
0.00191869 -0.00665880 -0.03290847
-24.75703831 -0.42469282 -19.06912370
0.00062044 0.00041213 -0.00060974
-0.00776891 -0.00278967 -0.03278735
-25.60444130 0.87200870 -21.76853151
-0.00017300 -0.00014219 -0.00088254
-0.00591953 -0.01800441 0.00810809
9.52497284 8.44288738 6.46915466
0.00022702 -0.00126816 -0.00066068
0.01457984 0.00666895 -0.01536564
10.02905555 7.90266236 9.22250159
-0.00029656 0.00006187 -0.00000693
0.00716745 0.00141463 0.00297043
19.84227049 27.57152721 -3.97199937
0.00018109 0.00009843 0.00036574
-0.01097314 -0.01449034 0.01256254
20.31584198 30.39615034 -4.52137827
0.00038422 0.00047842 -0.00054095
-0.00415518 0.01446909 0.00169009
6.08946254 -0.91756108 -7.12604297
-0.00085431 -0.00013889 -0.00060314
-0.04050744 0.02312330 0.00189415
7.48441218 -3.40506689 -7.12097777
0.00082596 -0.00031675 0.00025811
0.00099417 0.01997361 -0.00074770
-8.76363457 -2.24627393 12.34091001
0.00082453 0.00031629 -0.00006582
0.02127083 0.02430350 -0.02404349
-11.11902959 -3.28759241 13.32519816
-0.00040252 -0.00095200 0.00037153
0.01802760 -0.00187449 0.01206887
-1.13130267 -24.24244421 15.05327283
0.00072283 0.00011901 -0.00036772
-0.00093131 0.00487882 -0.01610762
-3.04822357 -22.12628921 14.10204728
-0.00003653 -0.00015487 0.00091180
0.01472569 -0.00782852 -0.00717337
-12.60228713 -8.19243474 -7.14775245
-0.00078108 -0.00040699 -0.00052063
0.01505734 0.00679977 -0.01051612
-10.31822224 -7.13853854 -8.96928384
0.00055292 0.00236598 0.00040453
-0.01637056 -0.01569821 0.01874255
-16.20335692 -10.39036257 -15.96451673
0.00025546 0.00037284 0.00028249
0.00753769 0.03395423 0.01844435
-14.22973302 -8.14502414 -16.21336949
-0.00009101 0.00012463 0.00000293
-0.00247259 0.00343480 0.00292297
17.29854697 12.89862391 5.36978971
0.00053424 0.00026718 0.00007806
-0.00813010 -0.00688308 -0.00605111
17.20195335 14.27623410 2.79337570
-0.00062030 0.00031544 0.00027457
0.00358694 0.01426377 -0.01010782
18.38835733 -4.35492556 -15.02137217
-0.00045060 -0.00048521 0.00013305
-0.00182658 -0.00637487 0.00360408
20.82567608 -3.02876378 -15.38265666
-0.00121661 -0.00080045 0.00040733
0.01772396 0.00958278 -0.00496213
-0.94721511 6.96804751 -13.61768359
0.00175935 -0.00083621 -0.00064863
-0.00192694 -0.00292693 0.00156087
-0.04257368 7.11866796 -16.34862381
-0.00088387 0.00071151 -0.00006869
-0.00141847 -0.00138395 -0.00522128
0.75752993 0.59366743 -15.55651650
-0.00023906 0.00037021 0.00011807
-0.00097481 -0.00039886 -0.00087724
2.54096474 -1.05174037 -17.20717794
-0.00005566 -0.00011347 0.00059682
-0.04016885 0.00747823 0.00855842
12.39068936 22.43355548 -22.31006315
0.00123535 0.00047451 0.00072744
0.00271618 0.03498470 0.01480319
9.97253570 21.01689359 -23.27826223
0.00047035 -0.00069841 -0.00050430
0.02862862 0.00375839 0.00474509
-9.95368806 16.04515942 -17.24765230
0.00020005 0.00016613 -0.00112883
0.00420031 0.00683112 -0.00567477
-10.81406417 15.51768673 -14.52762816
0.00000126 0.00083992 0.00032157
-0.00449607 -0.00288589 -0.00767255
3.17503312 18.77914603 11.40186731
0.00117115 -0.00022883 -0.00041603
0.03045604 -0.03150372 -0.01201355
4.77895740 18.29056237 9.02313363
-0.00047058 0.00058566 0.00006898
0.00305268 -0.00849550 0.00536170
-3.98688954 -10.44766824 -3.37532648
0.00087363 -0.00054613 -0.00009193
0.04014223 -0.01119138 0.00947633
-1.34726798 -11.45651547 -1.91449863
-0.00030229 0.00005594 0.00110744
-0.01422185 0.00849566 0.01774051
0.12010028 -7.33320578 5.00657776
-0.00026075 -0.00044225 0.00062334
0.00065123 0.00185060 -0.00968856
2.68606995 -8.42084561 4.84120320
-0.00071802 -0.00000432 0.00044981
0.03618021 -0.00565063 0.01506972
7.91874758 1.88526828 8.93526069
-0.00037574 -0.00016133 -0.00125794
0.00168229 0.00380066 0.00123023
9.74775367 3.78723982 7.61808003
0.00001272 0.00012862 0.00110465
-0.00629940 -0.01711810 0.01163987
-7.97397071 -8.55784859 -4.41850789
-0.00084517 0.00070818 -0.00022180
-0.01143261 -0.00695835 0.00529963
-7.93160527 -10.26112290 -1.83264044
0.00028544 0.00019077 -0.00050927
-0.00062111 0.01658638 -0.02580496
4.69766383 -13.54228013 -12.06206945
-0.00021482 -0.00001192 -0.00013754
0.01877686 -0.01759815 0.01646949
2.42900118 -13.20948371 -13.81360152
-0.00015239 -0.00001680 -0.00019227
-0.00004720 0.00818613 0.00182880
1.30053125 -5.95039310 0.24507735
-0.00018772 0.00114257 -0.00007427
0.00550253 -0.00798135 0.00412754
-0.26827398 -3.68900771 -0.25608480
-0.00029895 -0.00050006 0.00001986
0.00742353 -0.00193553 -0.00572742
17.45148308 3.35294317 25.77517857
-0.00018083 -0.00022714 -0.00018361
0.00154005 -0.00358670 -0.00984503
16.68383666 3.42778049 28.42137979
0.00032021 0.00087566 -0.00038476
-0.01511161 -0.02809607 0.03998379
-10.90521446 7.25139593 -3.62811825
0.00062319 -0.00025251 0.00058966
0.02143265 0.00019058 -0.01399061
-8.26946060 6.91539830 -5.32056497
-0.00021200 -0.00067296 0.00095915
-0.01708704 0.00886269 0.00539474
-6.35955975 15.93088809 -9.12955572
0.00029843 -0.00025827 0.00016185
-0.00250182 0.00658153 0.00188121
-4.78863971 14.39787252 -11.02289026
0.00036017 0.00026608 -0.00013859
0.00725703 -0.00560632 -0.00529515
2.73866989 10.93303701 -5.64229794
-0.00017993 0.00023424 0.00070950
0.00015583 -0.02045444 0.01314028
1.43838044 13.09846447 -6.98679127
-0.00035184 0.00043072 -0.00016691
-0.02369436 0.01965830 0.00108757
-2.49479860 11.12219440 -14.23688518
0.00101554 0.00006622 -0.00008385
-0.03151504 0.00277975 0.01229306
-5.29309741 10.61086361 -13.18244450
-0.00023240 0.00011560 0.00054559
0.00479500 -0.00262164 -0.00453179
4.47183963 7.62797171 18.99019103
0.00048091 -0.00092344 -0.00041027
0.00781015 0.00238489 0.01827525
2.08703922 6.90155234 17.55583793
0.00034756 -0.00054844 0.00080072
-0.01504325 -0.00154626 -0.00093189
-13.66714583 8.65877771 -9.00420338
-0.00102824 -0.00054113 -0.00000975
0.05194245 -0.00710713 0.01379845
-16.29688028 8.44832219 -7.45785248
0.00066780 0.00010231 0.00058841
0.01987333 -0.00278304 -0.01677170
4.98719535 10.42630053 0.56998859
-0.00063077 0.00000955 0.00087251
0.06518414 0.03226489 -0.00667415
2.40197832 10.25461941 1.07388026
-0.00002805 0.00127280 -0.00106997
-0.03527997 -0.00499169 0.00809236
14.35432420 -23.77219202 -25.61610290
0.00031516 0.00011909 -0.00015523
0.00097298 -0.00164380 0.00285508
15.12420768 -24.42199578 -28.23954622
0.00045276 -0.00153274 -0.00009121
-0.01593718 -0.00988516 -0.03709487
4.24598067 3.54389776 -0.64057899
-0.00100488 0.00075905 0.00099554
-0.02279968 -0.00070614 -0.00472231
5.32501318 5.83950509 0.88036594
0.00113378 -0.00073250 0.00091266
-0.00287485 -0.00793614 -0.00668603
17.52740646 -3.66445150 -0.51121743
0.00106390 -0.00061073 0.00013570
-0.00066238 0.00510001 0.00293534
16.19548076 -6.28779352 -0.95443191
-0.00025067 0.00149789 -0.00013486
0.01921808 0.01286894 0.01392869
-6.46645603 2.83571848 -1.79795260
-0.00172673 0.00039222 0.00040407
0.02306342 -0.00618962 -0.00637663
-4.99402507 1.22294176 -3.88895431
0.00047096 0.00024152 -0.00050104
-0.00318078 0.00846191 0.02285013
2.53570563 2.84819089 -11.36098234
-0.00036388 -0.00000079 -0.00084563
-0.00964944 0.00464848 -0.01652082
0.30738945 1.38986207 -10.37580255
0.00045536 -0.00105663 0.00005464
-0.00306732 0.02332620 -0.04889278
17.06437392 8.13762393 -7.73516462
0.00030468 -0.00047213 -0.00051228
0.00522898 -0.02434030 -0.01614440
15.92563596 10.52336193 -6.89741526
-0.00130770 0.00046241 0.00101446
-0.00766127 0.01213418 0.00769602
-7.00186295 0.61371401 11.11955576
-0.00110366 0.00103304 0.00048974
-0.00296903 0.00045306 -0.01725160
-8.07319537 1.51266540 13.83424650
-0.00044516 -0.00083177 0.00061060
0.03147992 -0.00542995 -0.02249716
-2.20955987 -16.73655577 14.12429546
-0.00044799 0.00016423 0.00050509
-0.02826675 0.00276642 -0.01641698
-4.81786233 -17.58517743 12.33600988
-0.00002571 0.00031645 -0.00006992
0.04320378 0.02710474 0.02486021
6.86752447 -6.21203514 -4.49868861
0.00065970 0.00070483 0.00021165
0.01379448 0.00003988 0.00079337
5.47435031 -7.87528712 -6.28059731
-0.00001685 0.00013059 -0.00065784
0.01060391 0.00424048 -0.00588635
-2.77624422 -11.46055814 2.12467369
0.00028678 -0.00002302 -0.00063243
-0.01168357 -0.00233949 0.00151740
-0.31555501 -10.11280045 2.14871035
-0.00043272 -0.00022229 -0.00126730
0.00051287 -0.00808360 0.00028708
-14.72433535 -0.87971418 6.00010123
0.00007137 0.00044743 0.00100767
0.02779173 0.02019156 0.01139935
-15.87720895 -1.90404610 3.61620728
0.00031795 0.00005959 0.00021212
0.00825952 0.00280235 -0.02921993
-9.53524563 4.62854923 -23.46255551
0.00006658 -0.00051345 -0.00064749
-0.00459128 0.01265421 -0.01148774
-8.98782709 4.36582002 -20.59277773
0.00005398 0.00013642 0.00019095
0.00350357 0.02545247 0.03056120
2.08094029 1.04831864 -3.13645713
0.00094033 -0.00070367 -0.00086530
-0.00885913 -0.00975625 -0.02183730
0.65499072 0.38029626 -0.51024946
0.00080300 0.00044806 0.00006828
-0.00795781 -0.00309270 -0.00755260
14.04498806 9.33441412 3.48096493
0.00024611 -0.00025795 -0.00059345
0.02154744 0.01982496 -0.00700837
11.30278359 8.89641523 2.43029182
0.00089554 -0.00076510 0.00032982
0.01475907 0.00549574 0.00354708
5.41208869 -9.23333180 -10.56284556
-0.00007831 -0.00018006 0.00004248
0.00057367 0.00724081 -0.00948960
-13.00229604 10.40888395 21.25451204
0.00007937 -0.00003088 0.00010871
0.00721383 -0.00110445 -0.00293178
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06725176
0.31574967
420.72060342
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1866306111
ExchangeOperator: bisection time: 1.969 s
total exchange = -52.4209885833 (a.u.)
total exchange computation time: 3.2743570805 s
-154.3453109112
-931.38273013
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1866306111
ExchangeOperator: bisection time: 1.966 s
total exchange = -52.4202818419 (a.u.)
total exchange computation time: 3.2766711712 s
-154.3513991866
Anderson extrapolation: theta=1.3578854402 (1.3578854402)
-931.38297547
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1866306111
ExchangeOperator: bisection time: 1.966 s
total exchange = -52.4192159075 (a.u.)
total exchange computation time: 3.2776718140 s
-154.3602598494
Anderson extrapolation: theta=0.0592171177 (0.0592171177)
-931.38312394
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1866306111
ExchangeOperator: bisection time: 1.966 s
total exchange = -52.4190693521 (a.u.)
total exchange computation time: 3.2762839794 s
-154.3613155562
Anderson extrapolation: theta=2.1631424704 (2.0000000000)
-931.38313085
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1866306111
ExchangeOperator: bisection time: 1.964 s
total exchange = -52.4187512969 (a.u.)
total exchange computation time: 3.2746601105 s
-154.3635459302
Anderson extrapolation: theta=0.3313397878 (0.3313397878)
-931.38313931
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1866306111
ExchangeOperator: bisection time: 1.966 s
total exchange = -52.4186446272 (a.u.)
total exchange computation time: 3.2752561569 s
-154.3642349639
Anderson extrapolation: theta=1.3357361794 (1.3357361794)
-931.38314139
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1866306111
ExchangeOperator: bisection time: 1.966 s
total exchange = -52.4185267300 (a.u.)
total exchange computation time: 3.2743310928 s
-154.3649239947
Anderson extrapolation: theta=0.4020429579 (0.4020429579)
-931.38314328
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1866306111
ExchangeOperator: bisection time: 1.965 s
total exchange = -52.4185063976 (a.u.)
total exchange computation time: 3.2752659321 s
-154.3649642924
Anderson extrapolation: theta=0.9377184062 (0.9377184062)
-931.38314387
237.569830 30.550215 202.364946
-142.466616 489.745680 -805.597444
95.103215 520.295895 -603.232498
802.272950
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1866306111
ExchangeOperator: bisection time: 1.961 s
total exchange = -52.4185092551 (a.u.)
total exchange computation time: 3.2753350735 s
679.54509227
-1085.05973728
89.72241332
-388.23798143
-174.93442183
79.02922302
551.60419304
0.00000000
-931.38314421
-8.78492487 -3.93871521 3.64162486
0.00001209 -0.00004965 0.00006410
0.05865354 -0.00863312 -0.02503531
-17.82453426 4.41270966 6.49087745
0.00001832 -0.00037178 -0.00019022
-0.01127121 -0.01719099 -0.00867393
-15.54334336 -0.86005028 0.43532358
0.00002447 0.00013050 -0.00026272
-0.02828638 -0.07118002 -0.02626886
3.20498496 -20.61950455 15.53770744
-0.00053786 0.00021680 -0.00024400
0.02864117 0.00970711 0.01553050
7.65315246 15.99710588 -1.32221604
0.00034049 0.00006643 0.00020956
-0.00737363 0.00675718 0.02402938
-9.87710106 9.49197514 11.07870966
-0.00019268 -0.00025036 -0.00019511
0.01306488 -0.01199971 -0.00520606
-8.30692369 -0.47089286 -14.29001896
-0.00029320 0.00008848 -0.00027232
0.02182858 -0.00152024 0.01362782
-10.79951568 2.36609855 -7.00707316
0.00000605 0.00001408 0.00012698
0.00657915 -0.01336949 -0.01890600
-0.32591339 -5.74316962 15.30377122
-0.00026056 0.00001891 0.00035767
0.01272486 0.01041264 0.04101336
-25.67096980 -0.70663067 -20.71557617
-0.00034971 -0.00021840 0.00016800
0.02178773 0.02733571 0.01502144
8.87717701 7.51247981 7.85533452
0.00006645 0.00002952 -0.00000881
-0.01605118 -0.01890043 0.00462009
20.79934864 28.67593519 -5.01964776
0.00015056 -0.00033958 -0.00013953
0.02311509 -0.00473890 -0.00319894
7.72399636 -1.54002189 -7.24374232
-0.00002479 -0.00000839 -0.00007900
0.03146416 -0.04010365 -0.00091289
-9.25831216 -3.47632871 13.50801122
0.00015378 0.00007843 0.00024796
-0.04180025 -0.02325049 0.00384744
-1.27154467 -22.73390247 13.96404043
0.00005742 0.00009000 0.00024859
-0.01644070 0.00214526 0.01724086
-11.04821367 -8.65811892 -8.13851752
0.00005218 -0.00022089 0.00033844
0.01198324 0.02140081 -0.01363485
-15.90162081 -8.56481357 -15.50186678
-0.00000106 -0.00014525 -0.00002518
-0.00793015 -0.03338451 -0.01621807
16.77657795 12.72704151 3.58993558
0.00043742 0.00017305 0.00004202
0.00206135 -0.01282194 0.01299802
20.16848582 -4.60029158 -14.75537925
-0.00013352 0.00008266 -0.00014377
-0.01666883 -0.01816573 0.00067141
-0.40912106 8.15315054 -14.90392967
0.00029093 -0.00004008 -0.00008192
-0.00373330 0.00348908 0.00784686
0.65141636 -0.62776897 -16.94063070
-0.00022107 0.00040105 -0.00026357
0.04127769 0.00036357 0.00355479
11.87083142 20.97324549 -23.16850829
0.00024169 -0.00031528 -0.00010286
-0.02744768 -0.03799855 -0.01729656
-11.29718390 15.24278207 -16.27579254
-0.00017791 -0.00010628 -0.00019032
-0.00869429 -0.01659195 0.03073020
4.55685970 17.61883413 10.72525132
0.00026360 0.00021487 -0.00035326
-0.03083980 0.03138885 0.00407451
-2.16177474 -11.08930740 -3.51634784
-0.00025441 0.00008718 -0.00011339
-0.01809185 0.00494662 -0.02157027
1.27817877 -8.14762938 3.80356720
0.00024867 -0.00006981 0.00026832
-0.03645317 0.02441017 0.00074154
9.60059729 2.01641817 8.25256735
-0.00008754 0.00039352 0.00011902
-0.00032311 0.01633285 -0.01294959
-6.94995786 -9.22814961 -3.06735529
0.00000790 0.00031664 0.00003773
-0.00056288 -0.00331375 0.01490091
3.88112454 -12.31963527 -13.07136493
-0.00012801 0.00036431 -0.00028140
-0.02300602 0.00426894 -0.01991393
1.23241874 -4.55218982 -0.90905956
0.00014274 0.00004268 0.00020703
-0.01567509 0.01521347 -0.00192794
17.09512765 4.50547717 27.11123276
0.00036669 0.00005092 -0.00019671
0.01384273 0.03259964 -0.03531722
-9.66539198 6.06783706 -4.39233053
-0.00020088 0.00005250 0.00032322
-0.01697846 0.00544439 0.02783334
-4.84603612 14.93580359 -9.28514988
0.00030959 0.00001100 -0.00022297
-0.00022149 -0.00163890 0.00898138
2.97383285 12.20035096 -6.87900396
-0.00012796 0.00011274 -0.00013713
0.01904077 0.00743696 -0.01070256
-4.15334297 11.93209465 -13.74357859
0.00015799 0.00021505 0.00008625
0.02674012 -0.00625403 -0.00448121
3.85998789 7.28176281 17.33278358
-0.00000414 0.00016869 -0.00014788
0.00207330 -0.00290838 -0.01658078
-15.40484845 8.68647489 -9.10214498
-0.00037581 -0.00013260 -0.00013432
-0.07209713 0.00469366 0.00979975
3.75282090 9.22277549 0.54944442
0.00010778 -0.00009414 0.00013436
-0.03046366 -0.03541380 -0.00190352
15.85278856 -24.04479652 -26.68468197
0.00006228 -0.00004877 0.00001759
0.01186573 0.00465813 0.03348044
5.70142069 4.16309438 0.20947922
-0.00015686 0.00001577 0.00025954
0.02332057 0.01067924 0.01466452
17.24130080 -5.28281510 0.27083283
0.00020014 -0.00005844 -0.00034266
-0.02164224 -0.02689871 -0.01130781
-4.73511462 2.42223373 -2.45147600
-0.00008849 -0.00013443 0.00033310
-0.01630570 0.00751200 -0.00696734
0.80294131 2.50688264 -11.92557639
-0.00013432 0.00025153 -0.00006332
0.00525229 -0.03364549 0.05177995
15.40909788 8.84588526 -7.33481199
-0.00010384 -0.00009905 0.00033181
0.00827284 0.01808862 0.00878763
-6.44094629 1.00560855 12.79464236
-0.00027304 0.00016335 0.00008900
-0.02800041 0.01826144 0.03874469
-3.55171640 -16.19521214 12.89203554
-0.00016322 -0.00015254 0.00009258
-0.01206890 -0.03047007 -0.01998687
7.04948400 -6.81976637 -6.25994036
-0.00015891 0.00032312 -0.00036734
-0.03125259 -0.00243460 0.01632612
-1.11158241 -11.62619488 1.39182216
0.00000730 -0.00013401 -0.00034457
0.00456123 0.00003172 -0.00441870
-16.10645968 -1.77998000 5.39576058
0.00034911 -0.00006304 0.00046626
-0.03631824 -0.01985712 0.02004284
-9.19778010 3.47774885 -22.10739820
-0.00022012 -0.00030792 -0.00040303
0.00553723 -0.02439855 -0.00771118
2.04588539 1.14516282 -1.34975630
-0.00049846 -0.00028765 -0.00002039
0.02148714 0.01810143 0.01066911
12.51868783 8.49311642 3.78059828
0.00002940 -0.00020058 -0.00019411
-0.03248925 -0.02478122 0.00441851
-7.15941397 -4.43749178 2.63723218
0.00124079 -0.00083197 0.00087521
-0.03412991 0.01590150 0.01459245
-10.02142460 -3.85036150 2.31681166
0.00009536 -0.00049184 0.00104620
-0.00454759 0.01205657 -0.01008446
-16.56124075 5.63350340 6.83782439
0.00096317 -0.00032060 -0.00046092
0.01705576 0.01805947 0.00627342
-17.22692055 3.59290202 4.96834023
-0.00025234 0.00055527 0.00001889
-0.00298767 0.00134307 0.00104958
-16.24126769 0.77817676 0.53488521
0.00105083 -0.00031151 0.00032255
-0.00542648 0.03050714 0.00143595
-16.96141676 -1.90566700 -0.42872520
0.00026110 -0.00094709 -0.00078425
0.03814611 0.03181262 0.02133412
1.57451763 -21.11610815 14.93648905
-0.00004592 -0.00093675 0.00027912
-0.02007164 0.00664697 -0.00027677
3.37840696 -18.81871761 15.97150581
0.00031970 0.00010916 0.00067507
-0.00764001 -0.01422362 -0.00909975
8.11585557 14.21855311 -1.20398156
-0.00043577 0.00001700 -0.00007997
0.00655202 -0.01062566 -0.00286610
7.19215336 16.36185052 0.43984198
-0.00066789 -0.00012877 -0.00070240
0.00291625 0.00200602 -0.01928542
-8.58180897 9.55457113 12.41828388
-0.00025534 -0.00039479 0.00024317
-0.00165801 -0.01955509 -0.00204237
-10.69497552 11.01936221 11.49029591
-0.00069303 0.00014750 -0.00015250
-0.01711695 0.02681618 0.00370918
-9.93680134 0.30970001 -14.53794974
0.00072962 -0.00008406 0.00035131
-0.00986051 -0.00078581 -0.00112860
-8.10630602 -1.88864770 -15.40739847
-0.00004894 0.00166457 -0.00026412
-0.00857623 0.00245716 -0.00925977
-12.11792821 1.14445280 -6.96221587
0.00082683 0.00033326 0.00030525
-0.01145457 -0.01685316 -0.00154338
-11.21008208 3.63260147 -5.78312970
-0.00066962 0.00060553 0.00048672
0.01069378 0.01345916 0.00616300
-1.92824436 -6.34629432 14.69889425
0.00027821 -0.00040020 0.00033049
-0.01634053 -0.00345263 -0.00562993
-0.43137559 -5.63520108 17.20038826
-0.00012771 -0.00013748 0.00003320
0.00173494 -0.00655793 -0.03152230
-24.74796985 -0.41859630 -19.07927453
0.00058929 0.00040022 -0.00074113
-0.00747796 -0.00304118 -0.03152776
-25.60721771 0.86932421 -21.78152123
-0.00019792 -0.00022121 -0.00084618
-0.00627833 -0.02067847 0.00969041
9.52882488 8.42406940 6.45877356
0.00028766 -0.00123999 -0.00072334
0.01510555 0.00711933 -0.01530769
10.02482676 7.90363371 9.22248862
-0.00026469 0.00006906 0.00000688
0.00843534 0.00210661 0.00379257
19.84465058 27.57255956 -3.96612829
0.00013649 0.00004026 0.00041675
-0.01085786 -0.01398104 0.01240469
20.32147793 30.40377001 -4.52944070
0.00036878 0.00052984 -0.00053558
-0.00340086 0.01070356 0.00093690
6.07540668 -0.91893581 -7.13503200
-0.00100552 -0.00005109 -0.00059657
-0.03351501 0.01985345 0.00131965
7.49683210 -3.40920611 -7.11712902
0.00082828 -0.00023230 0.00025478
0.00014115 0.02136464 -0.00088083
-8.75061476 -2.24078490 12.33918594
0.00090555 0.00040711 -0.00015617
0.01838652 0.02015629 -0.02018504
-11.12451496 -3.30192978 13.33114098
-0.00032239 -0.00095715 0.00041956
0.02119498 -0.00064895 0.01143869
-1.12048883 -24.24050956 15.04726350
0.00071866 0.00013481 -0.00043053
-0.00110813 0.00285691 -0.01463886
-3.04832024 -22.12885222 14.11550453
0.00002449 -0.00018686 0.00088199
0.01514180 -0.00783063 -0.00742253
-12.61354188 -8.19833126 -7.15588409
-0.00071785 -0.00037951 -0.00056332
0.01589134 0.00665216 -0.01038154
-10.31043013 -7.10352983 -8.96264163
0.00047644 0.00227884 0.00049156
-0.02106659 -0.02695798 0.02386214
-16.19929406 -10.38372952 -15.95971425
0.00028489 0.00050408 0.00035565
0.00686909 0.03029073 0.01737035
-14.23117401 -8.14304938 -16.21323595
-0.00010032 0.00013879 0.00001484
-0.00208213 0.00349242 0.00290763
17.30631139 12.90242071 5.37077522
0.00050064 0.00023867 0.00005306
-0.00831781 -0.00707251 -0.00618893
17.19275879 14.28140282 2.79718458
-0.00060480 0.00037622 0.00023153
0.00399842 0.01548579 -0.01096415
18.38154236 -4.36239907 -15.01926600
-0.00045477 -0.00051197 0.00014847
-0.00021257 -0.00672350 0.00394685
20.80797010 -3.04047683 -15.37669884
-0.00113642 -0.00074255 0.00037977
0.02152743 0.01876033 -0.00852550
-0.92088393 6.95541463 -13.62736524
0.00174944 -0.00085009 -0.00063772
-0.00292547 -0.00386775 0.00378038
-0.05587523 7.12929815 -16.34981412
-0.00088697 0.00070076 -0.00010017
-0.00009758 -0.00387879 -0.01018812
0.75391420 0.59920831 -15.55477226
-0.00024358 0.00036623 0.00011167
-0.00123913 -0.00154764 -0.00225706
2.53889887 -1.05321326 -17.19796341
-0.00022057 -0.00008232 0.00063067
-0.04055399 0.00777056 0.00801130
12.40930291 22.44174516 -22.29869790
0.00123675 0.00059623 0.00077514
-0.00203342 0.02459993 0.00854738
9.98046830 21.00653262 -23.28568138
0.00058484 -0.00068115 -0.00048383
0.02741077 0.00468870 0.00527821
-9.95055856 16.04786072 -17.26475862
0.00020930 0.00018960 -0.00114409
0.00032845 0.00465785 -0.00179591
-10.81418301 15.53019711 -14.52303978
-0.00001924 0.00082679 0.00028012
-0.00554189 -0.00353953 -0.01261314
3.19353368 18.77474825 11.39525879
0.00128695 -0.00035105 -0.00045971
0.02622886 -0.02832645 -0.00936975
4.77199232 18.29908689 9.02433261
-0.00045599 0.00055161 0.00008528
0.00408592 -0.00816972 0.00261837
-3.97255504 -10.45620307 -3.37641498
0.00102519 -0.00058734 -0.00005343
0.03405006 -0.00898131 0.00936516
-1.35223815 -11.45541606 -1.89734337
-0.00036615 0.00009291 0.00116658
-0.01703793 0.00960067 0.01120783
0.11620904 -7.33978276 5.01563095
-0.00025518 -0.00043664 0.00057962
0.00207176 0.00089355 -0.01171130
2.67640835 -8.42108358 4.84841211
-0.00056059 -0.00002962 0.00051766
0.04088360 -0.00673171 0.01814474
7.91316300 1.88296474 8.91642923
-0.00037201 -0.00014590 -0.00125135
0.00014616 0.00375448 0.00199618
9.74775139 3.78864461 7.63500650
-0.00001227 0.00006544 0.00114913
-0.00593351 -0.01381088 0.01013417
-7.98699866 -8.54743914 -4.42167252
-0.00088445 0.00067500 -0.00019106
-0.00779121 -0.00928099 0.00974699
-7.92734277 -10.25775315 -1.84107022
0.00027966 0.00025537 -0.00061021
-0.00220494 0.01503536 -0.02360584
4.69501687 -13.54299815 -12.06362785
-0.00014090 -0.00007911 -0.00007376
0.01740850 -0.01529165 0.01474977
2.42671389 -13.20948490 -13.81642954
-0.00015078 0.00001825 -0.00018461
0.00083585 0.00897357 0.00191937
1.29788411 -5.93349905 0.24408972
-0.00016295 0.00109574 -0.00004685
0.00662096 -0.01494387 0.00929701
-0.27253068 -3.69656798 -0.25596242
-0.00026817 -0.00050625 -0.00000461
0.00764262 -0.00109234 -0.00624916
17.44881787 3.34942623 25.77212275
-0.00017475 -0.00024119 -0.00022257
0.00143611 -0.00329172 -0.00922736
16.68817672 3.44005450 28.41683365
0.00025575 0.00075407 -0.00021236
-0.01644189 -0.03142388 0.04440621
-10.89520989 7.24761416 -3.61970204
0.00070499 -0.00024598 0.00053570
0.01861268 0.00300625 -0.01242616
-8.27316419 6.90557549 -5.30601243
-0.00027517 -0.00063266 0.00097638
-0.01383356 0.01086572 0.00304200
-6.35515997 15.92721578 -9.12707030
0.00028717 -0.00023097 0.00016925
-0.00301049 0.00678000 0.00174191
-4.78301476 14.40169186 -11.02513141
0.00038949 0.00024248 -0.00016230
0.00709289 -0.00594498 -0.00630933
2.73597571 10.93592384 -5.63125283
-0.00017817 0.00015773 0.00075636
0.00070618 -0.01699672 0.00980202
1.43237670 13.10552769 -6.98926154
-0.00044227 0.00050727 -0.00016177
-0.02057083 0.01781079 0.00142437
-2.48053118 11.12327281 -14.23776627
0.00087833 0.00008008 -0.00003089
-0.03565000 0.00400559 0.01363231
-5.29643649 10.61251722 -13.17439948
-0.00020789 0.00010927 0.00052479
0.00720362 -0.00047589 -0.00565088
4.47929262 7.61419326 18.98459693
0.00051534 -0.00091273 -0.00033169
0.00904082 0.00285349 0.02019212
2.09179164 6.89327833 17.56782021
0.00028502 -0.00055477 0.00079587
-0.01556973 -0.00155283 -0.00144592
-13.68097779 8.65044295 -9.00392677
-0.00080339 -0.00057044 0.00004571
0.05812435 -0.00723938 0.01334705
-16.28625426 8.44977154 -7.44954023
0.00074692 0.00009105 0.00051753
0.01885652 -0.00272634 -0.01792579
4.97973128 10.42743247 0.58287180
-0.00035736 0.00014551 0.00084573
0.06865271 0.03428863 -0.00643782
2.40047641 10.27355848 1.05807868
-0.00016495 0.00124509 -0.00104034
-0.03173367 -0.00857443 0.00641253
14.35908149 -23.77045597 -25.61834392
0.00031573 0.00011280 -0.00014208
-0.00069798 -0.00143742 0.00358502
15.13051073 -24.44528986 -28.24205102
0.00038981 -0.00157211 -0.00023580
-0.01487793 -0.00938401 -0.03368522
4.23020876 3.55526189 -0.62579054
-0.00109619 0.00075594 0.00097769
-0.02189415 -0.00081841 -0.00401542
5.34193178 5.82827437 0.89385102
0.00111999 -0.00075560 0.00088873
-0.00387720 -0.00336827 -0.00502965
17.54334468 -3.67345614 -0.50909198
0.00106264 -0.00058115 0.00014481
0.00004532 0.00937694 0.00152243
16.19230956 -6.26493090 -0.95602796
-0.00017673 0.00154419 -0.00008305
0.01697627 0.00979897 0.01143397
-6.49165027 2.84141204 -1.79208688
-0.00161651 0.00036220 0.00037245
0.03089065 -0.00850459 -0.00910443
-4.98705812 1.22682384 -3.89576963
0.00045726 0.00027820 -0.00040432
-0.00352422 0.00949382 0.02449161
2.52995168 2.84832150 -11.37417308
-0.00039645 0.00001984 -0.00091049
-0.00629026 0.00544986 -0.01522529
0.31412583 1.37472734 -10.37648125
0.00044326 -0.00095708 -0.00014839
-0.00285384 0.02540784 -0.05049170
17.06910435 8.12979612 -7.74334353
0.00031816 -0.00056509 -0.00057548
0.00136738 -0.02116625 -0.01479024
15.90578577 10.53066984 -6.88196248
-0.00133816 0.00050593 0.00104489
-0.00725194 0.00917338 0.00719901
-7.01850880 0.62922348 11.12637329
-0.00111586 0.00103400 0.00041497
-0.00300261 0.00001671 -0.01934991
-8.07890816 1.50002240 13.84271615
-0.00031540 -0.00085220 0.00051904
0.03204086 -0.00456827 -0.02232444
-2.21714593 -16.73400755 14.13136873
-0.00056208 0.00017467 0.00043900
-0.02758072 0.00234489 -0.01593198
-4.81692408 -17.57960012 12.33572290
0.00014812 0.00042397 0.00003095
0.04188869 0.02552870 0.02451326
6.87784275 -6.20146153 -4.49548955
0.00071487 0.00070091 0.00020774
0.01320886 -0.00195478 -0.00270905
5.47442248 -7.87319835 -6.29064534
0.00002596 0.00014895 -0.00067971
0.01035016 0.00474889 -0.00481907
-2.77230049 -11.46097509 2.11523373
0.00023372 -0.00003217 -0.00062399
-0.01429324 -0.00214258 0.00261247
-0.32203013 -10.11638256 2.12970967
-0.00042688 -0.00024872 -0.00126246
0.00234813 -0.00485400 0.00207942
-14.72241315 -0.87238403 6.01556559
0.00018039 0.00052684 0.00105108
0.02557288 0.01868235 0.00985143
-15.87218665 -1.90306638 3.61849369
0.00035173 0.00007201 0.00009792
0.00827834 0.00327555 -0.02668334
-9.53438769 4.62123521 -23.47261993
0.00004723 -0.00046115 -0.00069431
-0.00487666 0.01294732 -0.01142747
-8.98690997 4.36864632 -20.58897698
0.00006669 0.00023281 0.00030168
0.00271748 0.02172954 0.02364030
2.09477378 1.03746465 -3.15010578
0.00090281 -0.00074325 -0.00093810
-0.00950533 -0.00961834 -0.01379813
0.66679188 0.38692240 -0.50945674
0.00075272 0.00042500 0.00004617
-0.01665427 -0.00819500 -0.00327030
14.04933996 9.33115243 3.47184838
0.00032969 -0.00017982 -0.00062049
0.01936430 0.01841636 -0.00622684
11.31666888 8.88510719 2.43534788
0.00094542 -0.00073946 0.00033369
0.00966036 0.00705439 -0.00165313
5.41091564 -9.23601324 -10.56223382
-0.00007809 -0.00017746 0.00003905
0.00063823 0.00730455 -0.00966482
-13.00109286 10.40841880 21.25613762
0.00008104 -0.00003114 0.00010802
0.00715952 -0.00114524 -0.00303543
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06769955
0.31544466
420.31419797
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1861114116
ExchangeOperator: bisection time: 1.967 s
total exchange = -52.4208124961 (a.u.)
total exchange computation time: 3.3305718899 s
-154.3480838861
-931.38215925
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1861114116
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.4201387585 (a.u.)
total exchange computation time: 3.3314740658 s
-154.3540810647
Anderson extrapolation: theta=1.3588291229 (1.3588291229)
-931.38240319
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1861114116
ExchangeOperator: bisection time: 1.967 s
total exchange = -52.4191560477 (a.u.)
total exchange computation time: 3.3320641518 s
-154.3626674812
Anderson extrapolation: theta=0.0581505570 (0.0581505570)
-931.38255041
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1861114116
ExchangeOperator: bisection time: 1.967 s
total exchange = -52.4190486726 (a.u.)
total exchange computation time: 3.3340620995 s
-154.3635644948
Anderson extrapolation: theta=2.1123865406 (2.0000000000)
-931.38255696
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1861114116
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.4188277403 (a.u.)
total exchange computation time: 3.3352339268 s
-154.3654009365
Anderson extrapolation: theta=0.2998809006 (0.2998809006)
-931.38256468
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1861114116
ExchangeOperator: bisection time: 1.964 s
total exchange = -52.4187710780 (a.u.)
total exchange computation time: 3.3308799267 s
-154.3658630937
Anderson extrapolation: theta=1.4494799214 (1.4494799214)
-931.38256642
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1861114116
ExchangeOperator: bisection time: 1.965 s
total exchange = -52.4187154864 (a.u.)
total exchange computation time: 3.3322920799 s
-154.3663002275
Anderson extrapolation: theta=0.3590413866 (0.3590413866)
-931.38256803
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1861114116
ExchangeOperator: bisection time: 1.964 s
total exchange = -52.4187209425 (a.u.)
total exchange computation time: 3.3311128616 s
-154.3662360192
Anderson extrapolation: theta=1.0199923183 (1.0199923183)
-931.38256845
237.645055 30.552257 202.418866
-142.448603 489.759249 -805.605773
95.196452 520.311505 -603.186906
802.259853
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1861114116
ExchangeOperator: bisection time: 1.964 s
total exchange = -52.4187444045 (a.u.)
total exchange computation time: 3.3311021328 s
679.55731340
-1085.07406860
89.71721229
-388.22828032
-174.93600104
79.03702913
551.60419304
0.00000000
-931.38256866
-8.78451721 -3.93949333 3.64248977
0.00004404 -0.00005447 0.00005245
0.06558328 -0.01009068 -0.02027647
-17.82430287 4.40706660 6.48799073
0.00001338 -0.00037889 -0.00019331
-0.00793922 -0.01042593 -0.00334058
-15.54308535 -0.85836739 0.43128152
0.00001048 0.00009182 -0.00027647
-0.02612613 -0.07923113 -0.02723093
3.19702749 -20.61621512 15.53410732
-0.00052222 0.00022186 -0.00023563
0.03220091 0.00996830 0.01701998
7.65823143 15.99812841 -1.31897995
0.00033688 0.00006990 0.00022060
-0.00669394 0.00674312 0.01889864
-9.87994086 9.48817341 11.07576294
-0.00018638 -0.00025539 -0.00019722
0.01145101 -0.00753116 -0.00300150
-8.31123749 -0.46957146 -14.29405125
-0.00028048 0.00008878 -0.00026350
0.02762205 0.00268384 0.02069086
-10.79939957 2.36625821 -7.00524145
0.00001021 0.00000956 0.00011842
0.00961870 -0.00421815 -0.01436966
-0.32977269 -5.74284573 15.30929453
-0.00025345 0.00002441 0.00037833
0.01493771 0.01095870 0.03930254
-25.67613139 -0.70980116 -20.71299816
-0.00033863 -0.00020374 0.00017493
0.02128777 0.02964908 0.01190063
8.87811190 7.51284976 7.85522025
0.00005785 0.00001970 -0.00000681
-0.01739403 -0.01931136 0.00313828
20.80169624 28.67082326 -5.02175303
0.00016207 -0.00034118 -0.00014077
0.02162115 -0.00151064 -0.00163751
7.72374593 -1.54030237 -7.24493078
-0.00001052 -0.00002824 -0.00007927
0.02400648 -0.03709038 -0.00016932
-9.25616666 -3.47524189 13.51174544
0.00013246 0.00006740 0.00024893
-0.04110751 -0.01966448 -0.00006498
-1.27074678 -22.73254419 13.96783583
0.00004903 0.00009157 0.00025705
-0.01619248 0.00397118 0.01563763
-11.04738482 -8.66134975 -8.13349345
0.00005920 -0.00020743 0.00033037
0.01534188 0.03094631 -0.01776681
-15.90166734 -8.56712110 -15.50230706
-0.00000501 -0.00016120 -0.00003315
-0.00741971 -0.02863255 -0.01478202
16.78314727 12.72958775 3.59061609
0.00043850 0.00016626 0.00004879
0.00210636 -0.01357969 0.01332090
20.16641879 -4.59912172 -14.75753321
-0.00014344 0.00007110 -0.00014260
-0.02190777 -0.02680382 0.00388768
-0.40477152 8.15256273 -14.90512820
0.00028885 -0.00003751 -0.00007720
-0.00435083 0.00652295 0.01050244
0.64825949 -0.62175181 -16.94457052
-0.00019987 0.00040150 -0.00026129
0.04118939 0.00140141 0.00531572
11.87435096 20.96836976 -23.17011794
0.00022932 -0.00033237 -0.00011028
-0.02066856 -0.02847965 -0.01154516
-11.29988610 15.24112388 -16.27852880
-0.00018118 -0.00011409 -0.00017432
-0.00401485 -0.01377898 0.03147679
4.56069475 17.62217826 10.71996820
0.00024884 0.00022985 -0.00035123
-0.02657308 0.02684809 0.00379526
-2.16566075 -11.08798069 -3.51813190
-0.00026106 0.00008867 -0.00012288
-0.00774830 0.00084876 -0.01535085
1.28176817 -8.14858230 3.80759481
0.00022871 -0.00005693 0.00026851
-0.04114920 0.02566008 -0.00000298
9.59928293 2.02238397 8.25430269
-0.00008747 0.00040092 0.00011268
0.00058988 0.01243450 -0.01171190
-6.94984158 -9.22341282 -3.06673192
0.00000708 0.00031597 0.00004354
-0.00260225 0.00072662 0.00771081
3.87911558 -12.31415411 -13.07566275
-0.00013951 0.00036558 -0.00029105
-0.02168958 0.00064816 -0.01761444
1.23449940 -4.55149088 -0.90596155
0.00013445 0.00005200 0.00020484
-0.01656429 0.02099472 -0.00659094
17.10068147 4.50636676 27.10814585
0.00037407 0.00006801 -0.00021573
0.01485292 0.03385911 -0.03865209
-9.66847069 6.06864551 -4.38737481
-0.00020971 0.00005399 0.00033765
-0.01736403 0.00035099 0.02828269
-4.84139315 14.93596229 -9.28845972
0.00030962 0.00001020 -0.00021812
0.00034019 -0.00146807 0.00987476
2.97198687 12.20207082 -6.88110215
-0.00011928 0.00011617 -0.00014178
0.01473540 0.00590109 -0.00737361
-4.15086997 11.93529623 -13.74230213
0.00017200 0.00021106 0.00008393
0.02772491 -0.00924692 -0.00454612
3.85993375 7.28428196 17.33050138
-0.00000329 0.00016710 -0.00015648
0.00124890 -0.00327879 -0.01683580
-15.41076366 8.68450403 -9.10412200
-0.00041335 -0.00013014 -0.00012901
-0.07388520 0.00485595 0.01087043
3.75432011 9.22122685 0.55145254
0.00009088 -0.00011123 0.00013379
-0.03525095 -0.03107417 -0.00033634
15.85376860 -24.04551015 -26.68428892
0.00006841 -0.00004669 0.00003336
0.01196662 0.00343185 0.02784946
5.69915775 4.16337207 0.21342887
-0.00014506 0.00001984 0.00026629
0.02257220 0.00516081 0.01157551
17.24421947 -5.28379553 0.26564928
0.00018948 -0.00007245 -0.00034726
-0.01981761 -0.02755289 -0.00657147
-4.73650485 2.42024629 -2.44650643
-0.00009841 -0.00013026 0.00032986
-0.02227868 0.00870049 -0.00563355
0.80094677 2.51052581 -11.92632641
-0.00013264 0.00023364 -0.00003685
0.00129772 -0.03592242 0.05114686
15.40757215 8.84446930 -7.32980097
-0.00009869 -0.00008959 0.00033619
0.01174479 0.01868510 0.00826883
-6.44514988 1.00812931 12.79612686
-0.00028746 0.00017256 0.00010913
-0.02808386 0.01752211 0.03953732
-3.55421119 -16.19761770 12.89334711
-0.00016919 -0.00016740 0.00008235
-0.01116360 -0.02731571 -0.01979347
7.04697985 -6.81492894 -6.26538746
-0.00017469 0.00032225 -0.00035825
-0.03013956 -0.00096589 0.01900798
-1.11145538 -11.62820492 1.38663652
0.00000966 -0.00013481 -0.00034755
0.00462669 -0.00312127 -0.00714708
-16.10136319 -1.78100216 5.40283174
0.00033128 -0.00007281 0.00047613
-0.03299224 -0.01813255 0.01837021
-9.20106056 3.47303589 -22.11347334
-0.00021699 -0.00031930 -0.00040513
0.00662386 -0.01984632 -0.00045955
2.03849141 1.14091784 -1.35002093
-0.00048491 -0.00027699 -0.00001820
0.03119348 0.02335786 -0.00216557
12.51900352 8.49001219 3.77770361
0.00001494 -0.00021324 -0.00019062
-0.02375923 -0.02446575 0.00916069
-7.14184791 -4.44948402 2.65080744
0.00109395 -0.00076410 0.00093444
-0.03775294 0.01732111 0.01440067
-10.02013355 -3.85736968 2.33219570
0.00007001 -0.00044219 0.00099421
-0.00786376 0.01225092 -0.01536902
-16.54627056 5.62924774 6.83110282
0.00102377 -0.00025436 -0.00043620
0.01260701 0.01436947 0.00582561
-17.23079724 3.60127228 4.96865577
-0.00026214 0.00055451 0.00001363
-0.00180997 -0.00171794 -0.00362437
-16.22567158 0.77443893 0.53976744
0.00102168 -0.00017617 0.00032778
-0.00884306 0.03574259 0.00112435
-16.95633138 -1.91889852 -0.43983514
0.00041899 -0.00081119 -0.00069404
0.03914300 0.03471231 0.02282322
1.57321375 -21.12995572 14.94066743
-0.00013269 -0.00090798 0.00027685
-0.02240324 0.00743552 -0.00083489
3.38296841 -18.81751603 15.98135299
0.00028576 0.00004917 0.00063614
-0.00897783 -0.01514380 -0.00995461
8.10951974 14.21848250 -1.20526895
-0.00040825 -0.00002835 -0.00009132
0.00692318 -0.01157298 -0.00268832
7.18222435 16.35998038 0.42871506
-0.00065796 -0.00011866 -0.00077162
0.00194522 0.00294552 -0.01460021
-8.58568986 9.54805009 12.42186879
-0.00026439 -0.00047389 0.00023305
-0.00277425 -0.01916826 -0.00290903
-10.70589549 11.02239642 11.48812208
-0.00075659 0.00024727 -0.00013937
-0.01399368 0.02202481 0.00271824
-9.92615921 0.30841499 -14.53271472
0.00067498 -0.00008030 0.00034402
-0.01688787 0.00263017 -0.00243865
-8.10730288 -1.86360389 -15.41164397
-0.00008161 0.00165897 -0.00031392
-0.00741725 -0.00519942 -0.01512027
-12.10587682 1.14893533 -6.95768445
0.00076991 0.00025499 0.00029905
-0.01640842 -0.02146120 -0.00149078
-11.21979871 3.64209686 -5.77564000
-0.00062230 0.00065111 0.00050257
0.01246837 0.00885451 0.00159632
-1.92457197 -6.35240311 14.70367914
0.00020729 -0.00041565 0.00030602
-0.01837370 -0.00410988 -0.00635112
-0.43323807 -5.63746426 17.19992027
-0.00012107 -0.00016393 -0.00009086
0.00151469 -0.00638930 -0.02920398
-24.73935968 -0.41268617 -19.09135758
0.00056003 0.00038751 -0.00086606
-0.00684469 -0.00317933 -0.02962420
-25.61037891 0.86537241 -21.79391705
-0.00022425 -0.00031003 -0.00080397
-0.00660943 -0.02279980 0.01097553
9.53360268 8.40568775 6.44745431
0.00034971 -0.00121101 -0.00078420
0.01526796 0.00706778 -0.01448181
10.02111494 7.90473417 9.22270809
-0.00022798 0.00007895 0.00002365
0.00953130 0.00273218 0.00441619
19.84636524 27.57273506 -3.95949698
0.00009325 -0.00001478 0.00046613
-0.01031148 -0.01296377 0.01176919
20.32690545 30.41204565 -4.53744572
0.00035649 0.00056546 -0.00053325
-0.00261784 0.00673082 0.00020447
6.05929681 -0.91909381 -7.14394015
-0.00112551 0.00002248 -0.00059232
-0.02521910 0.01616070 0.00076188
7.50926066 -3.41203597 -7.11333425
0.00082693 -0.00014337 0.00025097
-0.00080108 0.02216634 -0.00098516
-8.73646812 -2.23406057 12.33622481
0.00097399 0.00047941 -0.00022926
0.01511683 0.01523532 -0.01559308
-11.12870137 -3.31630693 13.33778483
-0.00023078 -0.00095706 0.00046483
0.02364998 0.00069349 0.01072578
-1.10974290 -24.23839981 15.04035701
0.00071382 0.00014182 -0.00048695
-0.00126258 0.00057437 -0.01298051
-3.04748894 -22.13189514 14.12850689
0.00008634 -0.00021860 0.00085134
0.01513530 -0.00770452 -0.00758038
-12.62382271 -8.20382011 -7.16465198
-0.00065173 -0.00035263 -0.00060512
0.01647515 0.00650840 -0.01008253
-10.30392911 -7.07017328 -8.95453699
0.00038296 0.00214945 0.00059692
-0.02469060 -0.03637848 0.02771274
-16.19481021 -10.37524008 -15.95384721
0.00031126 0.00061811 0.00042387
0.00603942 0.02552651 0.01602389
-14.23274260 -8.14086057 -16.21292422
-0.00010799 0.00015320 0.00002665
-0.00167383 0.00356258 0.00287138
17.31356604 12.90578405 5.37138142
0.00046648 0.00020954 0.00002794
-0.00840361 -0.00718556 -0.00610374
17.18380928 14.28752060 2.80032151
-0.00058803 0.00044060 0.00018575
0.00421360 0.01602922 -0.01144456
18.37471436 -4.37028464 -15.01691794
-0.00045242 -0.00053997 0.00016521
0.00136150 -0.00698249 0.00424341
20.79158346 -3.05104013 -15.37126351
-0.00104124 -0.00064760 0.00033785
0.02506389 0.02771471 -0.01199450
-0.89473204 6.94254472 -13.63681521
0.00173580 -0.00086750 -0.00061829
-0.00375123 -0.00465479 0.00573157
-0.06918276 7.13969062 -16.35162882
-0.00088501 0.00068022 -0.00015146
0.00105680 -0.00617483 -0.01492138
0.75022252 0.60465434 -15.55316635
-0.00024920 0.00035774 0.00009976
-0.00151356 -0.00260758 -0.00357241
2.53434761 -1.05420991 -17.18825791
-0.00038532 -0.00005043 0.00066195
-0.04009307 0.00784033 0.00729998
12.42779185 22.45144246 -22.28680881
0.00121866 0.00067565 0.00079712
-0.00682240 0.01427602 0.00221131
9.99008079 20.99645899 -23.29277705
0.00069268 -0.00066025 -0.00046142
0.02538162 0.00554273 0.00569051
-9.94740893 16.05084749 -17.28197501
0.00020294 0.00020429 -0.00114356
-0.00344172 0.00253105 0.00205743
-10.81464149 15.54249056 -14.51922441
-0.00004371 0.00081106 0.00021977
-0.00643561 -0.00416433 -0.01693226
3.21364170 18.76861445 11.38807604
0.00138345 -0.00045850 -0.00049147
0.02100636 -0.02427021 -0.00617646
4.76527765 18.30711071 9.02569206
-0.00043720 0.00051908 0.00009004
0.00511177 -0.00775482 -0.00028634
-3.95613375 -10.46528833 -3.37692952
0.00114922 -0.00061861 -0.00001524
0.02666290 -0.00632967 0.00932947
-1.35825252 -11.45372827 -1.87950122
-0.00044085 0.00013413 0.00119954
-0.01952921 0.01058043 0.00492450
0.11244477 -7.34630497 5.02396639
-0.00024416 -0.00043461 0.00052822
0.00332515 0.00009992 -0.01344773
2.66925235 -8.42173412 4.85673303
-0.00038693 -0.00005868 0.00059613
0.04412027 -0.00749312 0.02026604
7.90758739 1.88089129 8.89772011
-0.00037427 -0.00013071 -0.00124180
-0.00125432 0.00368217 0.00267934
9.74738547 3.78920298 7.65255405
-0.00003559 0.00001694 0.00118713
-0.00548247 -0.00992800 0.00846630
-8.00050410 -8.53759850 -4.42423979
-0.00090901 0.00063271 -0.00014266
-0.00423111 -0.01142062 0.01394896
-7.92321540 -10.25346194 -1.85094671
0.00026684 0.00031285 -0.00070111
-0.00407080 0.01310443 -0.02089208
4.69343681 -13.54465334 -12.06428229
-0.00007356 -0.00013545 -0.00001819
0.01555477 -0.01229031 0.01245134
2.42447783 -13.20893613 -13.81913994
-0.00014587 0.00005623 -0.00017674
0.00156533 0.00961758 0.00193642
1.29564274 -5.91752086 0.24367187
-0.00013374 0.00102100 0.00000151
0.00768005 -0.02164380 0.01437449
-0.27631900 -3.70419521 -0.25622303
-0.00023698 -0.00050880 -0.00003097
0.00762151 -0.00015737 -0.00665478
17.44624067 3.34570756 25.76850142
-0.00016922 -0.00025377 -0.00025845
0.00127140 -0.00286864 -0.00833724
16.69150912 3.45040267 28.41500899
0.00018713 0.00062219 -0.00002613
-0.01714742 -0.03313513 0.04675424
-10.88406462 7.24401663 -3.61204738
0.00077435 -0.00022725 0.00048878
0.01533579 0.00616261 -0.01054060
-8.27771559 6.89641860 -5.29127345
-0.00032445 -0.00058417 0.00098371
-0.01029039 0.01286947 0.00054403
-6.35094469 15.92395898 -9.12447813
0.00027417 -0.00020312 0.00017598
-0.00335326 0.00685401 0.00154922
-4.77695511 14.40514686 -11.02775924
0.00041806 0.00021771 -0.00018962
0.00689219 -0.00617694 -0.00706562
2.73332481 10.93776901 -5.61960701
-0.00017403 0.00009612 0.00078867
0.00132226 -0.01316541 0.00601201
1.42511225 13.11368247 -6.99164451
-0.00051837 0.00057531 -0.00015509
-0.01667734 0.01549638 0.00184730
-2.46844860 11.12459672 -14.23781190
0.00072616 0.00009827 0.00002694
-0.03883958 0.00489952 0.01467790
-5.29933409 10.61414167 -13.16670079
-0.00017390 0.00011150 0.00049955
0.00943311 0.00156861 -0.00670279
4.48729969 7.60058969 18.98024033
0.00055407 -0.00090050 -0.00024700
0.00991930 0.00313295 0.02126558
2.09558986 6.88490915 17.57971388
0.00022144 -0.00056089 0.00078884
-0.01555355 -0.00144198 -0.00199139
-13.69124754 8.64166452 -9.00283217
-0.00055927 -0.00060024 0.00009884
0.06137345 -0.00734620 0.01266440
-16.27447260 8.45105381 -7.44232658
0.00082111 0.00007991 0.00044316
0.01746032 -0.00273045 -0.01848077
4.97647467 10.43066583 0.59536045
-0.00007554 0.00028483 0.00082001
0.06929883 0.03390726 -0.00615021
2.39702967 10.29197205 1.04267010
-0.00028575 0.00120202 -0.00101780
-0.02739616 -0.01250760 0.00462026
14.36379600 -23.76880802 -25.62036523
0.00030942 0.00010731 -0.00012604
-0.00238906 -0.00124986 0.00426683
15.13590197 -24.46915906 -28.24662027
0.00033246 -0.00160838 -0.00036326
-0.01319615 -0.00836910 -0.02870884
4.21309505 3.56657586 -0.61124818
-0.00118221 0.00075292 0.00096350
-0.02021403 -0.00065591 -0.00293431
5.35861275 5.81683722 0.90702785
0.00110220 -0.00075949 0.00087198
-0.00482735 0.00146276 -0.00316807
17.55928568 -3.68188611 -0.50687323
0.00106433 -0.00053471 0.00014845
0.00078353 0.01335874 0.00025980
16.19017877 -6.24146774 -0.95692327
-0.00011298 0.00157736 -0.00004247
0.01423209 0.00643663 0.00842886
-6.51495133 2.84658440 -1.78677914
-0.00147699 0.00032343 0.00033086
0.03740609 -0.01047427 -0.01125222
-4.98030716 1.23128776 -3.90108396
0.00044211 0.00031833 -0.00030187
-0.00389296 0.01015109 0.02566039
2.52381222 2.84878611 -11.38829693
-0.00041454 0.00004381 -0.00096981
-0.00256678 0.00628162 -0.01381561
0.32068732 1.36114977 -10.38025439
0.00043171 -0.00085007 -0.00035622
-0.00280166 0.02697246 -0.05124123
17.07391859 8.12067112 -7.75242888
0.00031552 -0.00064492 -0.00063297
-0.00265832 -0.01790771 -0.01335385
15.88549113 10.53853996 -6.86606849
-0.00136710 0.00053512 0.00107160
-0.00691251 0.00511135 0.00587502
-7.03533867 0.64473397 11.13200493
-0.00112773 0.00103365 0.00033320
-0.00281024 -0.00018667 -0.02068002
-8.08265729 1.48709943 13.84981761
-0.00018429 -0.00086886 0.00042882
0.03213465 -0.00358607 -0.02183568
-2.22642230 -16.73131562 14.13746559
-0.00067232 0.00018312 0.00037579
-0.02638153 0.00178820 -0.01501265
-4.81341863 -17.57245826 12.33693825
0.00031492 0.00052353 0.00012956
0.03975948 0.02320370 0.02376042
6.88897055 -6.19100772 -4.49245651
0.00076740 0.00068899 0.00018996
0.01250572 -0.00388063 -0.00599299
5.47512897 -7.87081853 -6.30098872
0.00006716 0.00016903 -0.00069715
0.00981753 0.00507856 -0.00371410
-2.76923274 -11.46152335 2.10595387
0.00017080 -0.00004053 -0.00061137
-0.01650637 -0.00194697 0.00356657
-0.32836135 -10.12026216 2.11083643
-0.00041342 -0.00026150 -0.00125018
0.00423761 -0.00139773 0.00393462
-14.71892369 -0.86390890 6.03163372
0.00027816 0.00059856 0.00108708
0.02228629 0.01642327 0.00776746
-15.86665701 -1.90188592 3.61914477
0.00038531 0.00008653 -0.00000408
0.00815907 0.00383315 -0.02324361
-9.53382862 4.61471468 -23.48338469
0.00002701 -0.00040857 -0.00074004
-0.00502468 0.01279360 -0.01095824
-8.98582630 4.37280434 -20.58372740
0.00007584 0.00031282 0.00038243
0.00175956 0.01743673 0.01588713
2.10802473 1.02602119 -3.16460007
0.00086246 -0.00078203 -0.00097768
-0.01024922 -0.00936584 -0.00557645
0.67757237 0.39304630 -0.50886446
0.00066694 0.00038106 0.00004199
-0.02533504 -0.01331393 0.00122750
14.05487861 9.32901942 3.46235021
0.00040234 -0.00010853 -0.00064382
0.01619881 0.01648237 -0.00519311
11.33114622 8.87423148 2.44030262
0.00097359 -0.00070729 0.00031535
0.00412879 0.00869015 -0.00732382
5.40974601 -9.23865545 -10.56167398
-0.00007785 -0.00017483 0.00003556
0.00068040 0.00736350 -0.00982800
-12.99986475 10.40794967 21.25775263
0.00008270 -0.00003141 0.00010730
0.00712786 -0.00115397 -0.00313942
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06761489
0.31495378
419.66011753
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1870632774
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.4204944003 (a.u.)
total exchange computation time: 3.3309390545 s
-154.3437105094
-931.38149855
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1870632774
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.4197582726 (a.u.)
total exchange computation time: 3.3294930458 s
-154.3500278965
Anderson extrapolation: theta=1.3439907042 (1.3439907042)
-931.38173460
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1870632774
ExchangeOperator: bisection time: 2.054 s
total exchange = -52.4186645742 (a.u.)
total exchange computation time: 3.3291578293 s
-154.3591761348
Anderson extrapolation: theta=0.0520554127 (0.0520554127)
-931.38187345
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1870632774
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.4185250144 (a.u.)
total exchange computation time: 3.3300559521 s
-154.3602421677
Anderson extrapolation: theta=1.9422677751 (1.9422677751)
-931.38187843
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1870632774
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.4182276608 (a.u.)
total exchange computation time: 3.3319511414 s
-154.3624794335
Anderson extrapolation: theta=0.2274589690 (0.2274589690)
-931.38188339
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1870632774
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.4181515270 (a.u.)
total exchange computation time: 3.3309969902 s
-154.3630181258
Anderson extrapolation: theta=1.8563942083 (1.8563942083)
-931.38188427
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1870632774
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.4180291772 (a.u.)
total exchange computation time: 3.3321421146 s
-154.3638383395
Anderson extrapolation: theta=0.2853180472 (0.2853180472)
-931.38188516
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1870632774
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.4180145593 (a.u.)
total exchange computation time: 3.3307609558 s
-154.3638902060
Anderson extrapolation: theta=1.2904146063 (1.2904146063)
-931.38188534
237.727638 30.564752 202.463745
-142.428824 489.775559 -805.616353
95.298814 520.340311 -603.152607
802.264901
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1870632774
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.4180118412 (a.u.)
total exchange computation time: 3.3300850391 s
679.55421540
-1085.05604694
89.71328242
-388.24042208
-174.93490235
79.02739893
551.60419304
0.00000000
-931.38188539
-8.78360359 -3.94034929 3.64319826
0.00007927 -0.00005996 0.00004325
0.07140240 -0.01128032 -0.01547532
-17.82413273 4.40134311 6.48507824
0.00001025 -0.00038244 -0.00019360
-0.00426717 -0.00338512 0.00219080
-15.54302889 -0.85729574 0.42702938
-0.00000234 0.00004955 -0.00029056
-0.02375495 -0.08513161 -0.02756477
3.18931845 -20.61284879 15.53063850
-0.00050492 0.00022686 -0.00022659
0.03506000 0.00949907 0.01813000
7.66325877 15.99920296 -1.31559806
0.00033370 0.00007324 0.00022886
-0.00565122 0.00621530 0.01322665
-9.88269232 9.48431358 11.07279307
-0.00018104 -0.00025797 -0.00019820
0.00931233 -0.00250522 -0.00079479
-8.31533820 -0.46822936 -14.29792393
-0.00026487 0.00009124 -0.00025104
0.03310204 0.00686283 0.02777077
-10.79920926 2.36638533 -7.00352061
0.00001581 0.00000961 0.00011217
0.01212439 0.00443063 -0.00994667
-0.33351675 -5.74243730 15.31512104
-0.00024537 0.00003010 0.00039779
0.01646419 0.01117528 0.03639262
-25.68112875 -0.71274292 -20.71032834
-0.00032791 -0.00018807 0.00018017
0.02038656 0.03128903 0.00849143
8.87891260 7.51307073 7.85513020
0.00004871 0.00000980 -0.00000571
-0.01817608 -0.01917580 0.00114800
20.80421065 28.66569967 -5.02387093
0.00017269 -0.00034123 -0.00014111
0.01969515 0.00133464 0.00031574
7.72368069 -1.54086900 -7.24612055
-0.00000027 -0.00004632 -0.00007919
0.01584808 -0.03321473 0.00047789
-9.25433829 -3.47430677 13.51547917
0.00011177 0.00005830 0.00024780
-0.03937009 -0.01569655 -0.00434884
-1.27007381 -22.73115528 13.97175188
0.00004087 0.00009410 0.00026463
-0.01552098 0.00586311 0.01383439
-11.04643760 -8.66434184 -8.12860645
0.00006777 -0.00018951 0.00032042
0.01798642 0.03875774 -0.02092121
-15.90177111 -8.56964952 -15.50286138
-0.00000866 -0.00017442 -0.00004032
-0.00677333 -0.02280063 -0.01307412
16.78973284 12.73202923 3.59139936
0.00043962 0.00015925 0.00005556
0.00225322 -0.01368228 0.01301016
20.16418274 -4.59815865 -14.75965718
-0.00015590 0.00005527 -0.00013984
-0.02654684 -0.03474850 0.00684449
-0.40045555 8.15202523 -14.90624570
0.00028646 -0.00003352 -0.00007115
-0.00495455 0.00899831 0.01302648
0.64542039 -0.61572383 -16.94846933
-0.00017893 0.00040252 -0.00025809
0.04021916 0.00253227 0.00710706
11.87771105 20.96327431 -23.17181665
0.00022060 -0.00034468 -0.00011476
-0.01325736 -0.01939731 -0.00589841
-11.30261927 15.23935939 -16.28102223
-0.00018213 -0.00012049 -0.00015810
0.00031013 -0.01110435 0.03161999
4.56432481 17.62572951 10.71471437
0.00023654 0.00024224 -0.00034947
-0.02126140 0.02133528 0.00303658
-2.16960653 -11.08664743 -3.52003439
-0.00026214 0.00008797 -0.00012930
0.00355364 -0.00353551 -0.00958726
1.28504012 -8.14933725 3.81162239
0.00020683 -0.00004356 0.00026852
-0.04392861 0.02634785 0.00007153
9.59797311 2.02844570 8.25594768
-0.00008700 0.00040618 0.00010703
0.00125932 0.00803829 -0.01025799
-6.94974538 -9.21867041 -3.06604907
0.00000534 0.00031745 0.00004569
-0.00416926 0.00499969 0.00066525
3.87693929 -12.30866795 -13.08009647
-0.00015018 0.00036489 -0.00029938
-0.01980364 -0.00332275 -0.01477957
1.23645227 -4.55062996 -0.90291438
0.00012579 0.00006410 0.00020032
-0.01711912 0.02606348 -0.01099301
17.10634987 4.50751756 27.10476075
0.00038180 0.00008527 -0.00023593
0.01519817 0.03323020 -0.03989429
-9.67168336 6.06945666 -4.38220090
-0.00021869 0.00005279 0.00035225
-0.01753826 -0.00499988 0.02847350
-4.83674757 14.93610967 -9.29169337
0.00030990 0.00000948 -0.00021286
0.00073623 -0.00132985 0.01055981
2.97025457 12.20383620 -6.88325723
-0.00011295 0.00011886 -0.00014466
0.00984729 0.00452252 -0.00385611
-4.14818308 11.93842647 -13.74106076
0.00018632 0.00020566 0.00008163
0.02798985 -0.01174281 -0.00437989
3.85988924 7.28677580 17.32808930
-0.00000290 0.00016533 -0.00016495
0.00025840 -0.00359115 -0.01612469
-15.41724887 8.68257064 -9.10601517
-0.00045087 -0.00012760 -0.00012324
-0.07202894 0.00501551 0.01154665
3.75554736 9.21943848 0.55345807
0.00007212 -0.00012544 0.00013402
-0.03771578 -0.02417772 0.00123952
15.85484096 -24.04619730 -26.68368102
0.00007446 -0.00004536 0.00004594
0.01155579 0.00176433 0.02106645
5.69706894 4.16368958 0.21746783
-0.00013385 0.00002099 0.00027133
0.02101527 -0.00069195 0.00802037
17.24698525 -5.28498852 0.26041504
0.00017990 -0.00008660 -0.00034936
-0.01746128 -0.02749235 -0.00160519
-4.73806695 2.41832596 -2.44158033
-0.00011108 -0.00012547 0.00032728
-0.02699228 0.00992814 -0.00437704
0.79896225 2.51389184 -11.92668184
-0.00013301 0.00021472 -0.00001094
-0.00274065 -0.03763760 0.04962141
15.40613704 8.84319749 -7.32472615
-0.00009181 -0.00007981 0.00034036
0.01501191 0.01933657 0.00791450
-6.44957013 1.01078524 12.79791637
-0.00030186 0.00018128 0.00012936
-0.02791870 0.01639137 0.03911140
-3.55679211 -16.20023399 12.89450597
-0.00017460 -0.00018039 0.00007222
-0.00988476 -0.02321420 -0.01959049
7.04424319 -6.81009896 -6.27068792
-0.00018980 0.00032214 -0.00034787
-0.02859745 0.00056733 0.02135561
-1.11129267 -11.63023904 1.38139574
0.00001192 -0.00013724 -0.00035188
0.00417014 -0.00633664 -0.00968595
-16.09652123 -1.78216420 5.41004461
0.00031542 -0.00008154 0.00048508
-0.02867415 -0.01583233 0.01640443
-9.20428992 3.46816983 -22.11955203
-0.00021332 -0.00032820 -0.00040354
0.00766051 -0.01475066 0.00663339
2.03133808 1.13685305 -1.35030226
-0.00046648 -0.00026372 -0.00002253
0.04048042 0.02826754 -0.01469340
12.51913592 8.48671921 3.77487960
0.00000522 -0.00022564 -0.00018467
-0.01402550 -0.02373674 0.01399007
-7.12659558 -4.46041471 2.66526526
0.00093380 -0.00069089 0.00099212
-0.04064020 0.01851681 0.01383492
-10.01932444 -3.86362705 2.34663783
0.00003163 -0.00039180 0.00092143
-0.01092011 0.01241230 -0.02025505
-16.53052773 5.62587273 6.82473827
0.00106542 -0.00020382 -0.00041350
0.00778405 0.01036945 0.00529015
-17.23478485 3.60953726 4.96874919
-0.00026704 0.00054133 -0.00001091
-0.00058867 -0.00473497 -0.00839073
-16.21061743 0.77289164 0.54471859
0.00098001 -0.00002220 0.00033172
-0.01155261 0.03962500 0.00080445
-16.94884708 -1.93000266 -0.44954632
0.00057915 -0.00066488 -0.00059889
0.03925526 0.03690489 0.02375126
1.57053685 -21.14334760 14.94479464
-0.00022747 -0.00087582 0.00027283
-0.02399074 0.00830812 -0.00113558
3.38697963 -18.81724255 15.99059009
0.00024662 -0.00001355 0.00059407
-0.01017954 -0.01555846 -0.01063857
8.10360819 14.21770263 -1.20672109
-0.00037946 -0.00007669 -0.00010194
0.00716588 -0.01209255 -0.00251316
7.17241456 16.35829075 0.41669334
-0.00065251 -0.00010451 -0.00082061
0.00072258 0.00397909 -0.00938118
-8.58974078 9.54035430 12.42527541
-0.00027784 -0.00055121 0.00021965
-0.00380752 -0.01868007 -0.00365253
-10.71767309 11.02678044 11.48611483
-0.00080649 0.00032620 -0.00013049
-0.01043508 0.01660831 0.00163044
-9.91655208 0.30729116 -14.52762916
0.00059199 -0.00006259 0.00033166
-0.02373312 0.00603580 -0.00361067
-8.10875432 -1.83887873 -15.41681614
-0.00010932 0.00162219 -0.00038797
-0.00614886 -0.01280427 -0.02112626
-12.09483104 1.15210259 -6.95324440
0.00069384 0.00015898 0.00029320
-0.02082500 -0.02553913 -0.00137124
-11.22875120 3.65213491 -5.76805246
-0.00056790 0.00067786 0.00049993
0.01416374 0.00423920 -0.00289074
-1.92202564 -6.35876378 14.70807479
0.00012945 -0.00043329 0.00027905
-0.01973137 -0.00452703 -0.00684995
-0.43500773 -5.64011901 17.19766247
-0.00011541 -0.00018957 -0.00020355
0.00125832 -0.00616072 -0.02595853
-24.73116900 -0.40697088 -19.10525619
0.00053407 0.00037450 -0.00098196
-0.00586444 -0.00319299 -0.02711097
-25.61394517 0.86002329 -21.80564023
-0.00025186 -0.00040638 -0.00075711
-0.00690720 -0.02436185 0.01195889
9.53931620 8.38773924 6.43524753
0.00041171 -0.00118317 -0.00084017
0.01508314 0.00655679 -0.01291630
10.01798726 7.90600208 9.22319821
-0.00018722 0.00009121 0.00004248
0.01042104 0.00327324 0.00479939
19.84744795 27.57211607 -3.95214437
0.00005305 -0.00006473 0.00051199
-0.00936369 -0.01148516 0.01068102
20.33217253 30.42073380 -4.54543820
0.00034737 0.00058472 -0.00053379
-0.00184682 0.00269776 -0.00047123
6.04164136 -0.91826138 -7.15280161
-0.00121007 0.00008056 -0.00059021
-0.01617544 0.01226679 0.00027005
7.52164013 -3.41350734 -7.10959985
0.00082160 -0.00005239 0.00024680
-0.00180839 0.02237336 -0.00105781
-8.72139502 -2.22640253 12.33230803
0.00102855 0.00053065 -0.00028267
0.01159020 0.00984640 -0.01055077
-11.13143837 -3.33064158 13.34508602
-0.00013064 -0.00095132 0.00050704
0.02536754 0.00211669 0.00993553
-1.09907436 -24.23625487 15.03265499
0.00070839 0.00013908 -0.00053631
-0.00139549 -0.00191724 -0.01118102
-3.04573004 -22.13541024 14.14104466
0.00014729 -0.00024957 0.00082024
0.01469819 -0.00745464 -0.00763990
-12.63309384 -8.20891008 -7.17403779
-0.00058372 -0.00032634 -0.00064539
0.01681649 0.00636001 -0.00962953
-10.29894129 -7.03904623 -8.94473395
0.00027667 0.00198504 0.00071574
-0.02734127 -0.04410345 0.03044830
-16.18995624 -10.36518620 -15.94699812
0.00033393 0.00071044 0.00048606
0.00505770 0.01966871 0.01442013
-14.23441378 -8.13845343 -16.21243650
-0.00011398 0.00016791 0.00003827
-0.00125936 0.00364050 0.00281709
17.32030567 12.90870702 5.37161355
0.00043218 0.00018012 0.00000363
-0.00838587 -0.00721705 -0.00579840
17.17511801 14.29462075 2.80275705
-0.00057074 0.00050573 0.00013882
0.00424802 0.01585462 -0.01152959
18.36796980 -4.37859814 -15.01430982
-0.00044385 -0.00056881 0.00018304
0.00283322 -0.00713718 0.00448473
20.77673288 -3.05990490 -15.36656328
-0.00093258 -0.00051764 0.00028238
0.02812479 0.03590422 -0.01515761
-0.86881005 6.92938953 -13.64591391
0.00171916 -0.00088770 -0.00059158
-0.00438996 -0.00523082 0.00734450
-0.08242552 7.14970466 -16.35435800
-0.00087877 0.00065098 -0.00022116
0.00199894 -0.00813759 -0.01919506
0.74643808 0.60994056 -15.55177938
-0.00025596 0.00034518 0.00008269
-0.00179574 -0.00354307 -0.00478428
2.52733919 -1.05472606 -17.17810501
-0.00054646 -0.00001873 0.00069002
-0.03878375 0.00767571 0.00644418
12.44586266 22.46201469 -22.27478420
0.00118135 0.00071402 0.00079369
-0.01144103 0.00450426 -0.00389046
10.00124882 20.98672507 -23.29952398
0.00079062 -0.00063602 -0.00043758
0.02256019 0.00631670 0.00597686
-9.94447024 16.05398937 -17.29906531
0.00018161 0.00021049 -0.00112752
-0.00700202 0.00050716 0.00579103
-10.81549439 15.55452879 -14.51644676
-0.00007148 0.00079288 0.00014321
-0.00715767 -0.00473234 -0.02054131
3.23503711 18.76099322 11.38051475
0.00145656 -0.00054755 -0.00050903
0.01478354 -0.01932195 -0.00242212
4.75887625 18.31465927 9.02703395
-0.00041427 0.00048838 0.00008277
0.00611212 -0.00727331 -0.00327400
-3.93807839 -10.47476152 -3.37687229
0.00124026 -0.00063816 0.00002284
0.01790271 -0.00324023 0.00931248
-1.36546375 -11.45139203 -1.86135727
-0.00052488 0.00017902 0.00120767
-0.02160095 0.01139114 -0.00094465
0.10888429 -7.35282106 5.03147767
-0.00022842 -0.00043546 0.00047040
0.00437884 -0.00051529 -0.01485852
2.66480031 -8.42284388 4.86629599
-0.00020349 -0.00009010 0.00068092
0.04567939 -0.00788769 0.02123855
7.90193490 1.87904352 8.87917519
-0.00038187 -0.00011585 -0.00122966
-0.00246757 0.00359065 0.00326565
9.74668356 3.78915290 7.67062046
-0.00005691 -0.00001464 0.00121806
-0.00495314 -0.00553304 0.00667350
-8.01426884 -8.52845778 -4.42595218
-0.00091948 0.00058223 -0.00007808
-0.00089409 -0.01329299 0.01766065
-7.91933752 -10.24836760 -1.86210359
0.00024584 0.00036161 -0.00077997
-0.00620837 0.01076371 -0.01770884
4.69281005 -13.54706176 -12.06417364
-0.00001455 -0.00017847 0.00002709
0.01332905 -0.00876465 0.00971324
2.42233770 -13.20779793 -13.82173166
-0.00013834 0.00009653 -0.00016895
0.00212246 0.01010632 0.00187394
1.29387205 -5.90286912 0.24413497
-0.00010036 0.00092012 0.00006985
0.00865562 -0.02773761 0.01907710
-0.27964023 -3.71183208 -0.25689149
-0.00020638 -0.00050739 -0.00005874
0.00735949 0.00084749 -0.00693928
17.44374139 3.34181307 25.76436913
-0.00016448 -0.00026441 -0.00029022
0.00104908 -0.00233966 -0.00721177
16.69379062 3.45872011 28.41604973
0.00011706 0.00048689 0.00016498
-0.01715167 -0.03309375 0.04679537
-10.87197947 7.24079678 -3.60503871
0.00082951 -0.00019503 0.00045016
0.01166607 0.00960849 -0.00836168
-8.28289765 6.88805044 -5.27650113
-0.00035883 -0.00052757 0.00098068
-0.00654053 0.01483711 -0.00202810
-6.34693493 15.92112224 -9.12179101
0.00026014 -0.00017525 0.00018181
-0.00351450 0.00678616 0.00130709
-4.77047307 14.40822331 -11.03082009
0.00044573 0.00019224 -0.00021940
0.00665546 -0.00629504 -0.00751286
2.73075495 10.93880732 -5.60759272
-0.00016730 0.00005052 0.00080494
0.00197048 -0.00915320 0.00195343
1.41682571 13.12278696 -6.99391427
-0.00057742 0.00063319 -0.00014655
-0.01223092 0.01283754 0.00233339
-2.45874636 11.12622090 -14.23695797
0.00056286 0.00011947 0.00008847
-0.04109926 0.00548025 0.01543824
-5.30165357 10.61586225 -13.15941288
-0.00013128 0.00012177 0.00047022
0.01143212 0.00345632 -0.00765834
4.49591468 7.58717813 18.97718701
0.00059558 -0.00088750 -0.00015979
0.01039835 0.00323168 0.02142485
2.09843486 6.87645159 17.59148550
0.00015901 -0.00056630 0.00077952
-0.01500457 -0.00120482 -0.00257418
-13.69775593 8.63243587 -9.00096142
-0.00030844 -0.00063033 0.00014869
0.06140835 -0.00738734 0.01173439
-16.26162085 8.45216873 -7.43624555
0.00088888 0.00006862 0.00036776
0.01571060 -0.00279384 -0.01842363
4.97746512 10.43597723 0.60747218
0.00020318 0.00041764 0.00079542
0.06713814 0.03110469 -0.00588847
2.39190392 10.30961908 1.02754467
-0.00038772 0.00114256 -0.00100258
-0.02251781 -0.01659727 0.00283061
14.36836409 -23.76723666 -25.62212504
0.00029628 0.00010253 -0.00010738
-0.00404410 -0.00109058 0.00486808
15.14048447 -24.49354117 -28.25294897
0.00028292 -0.00163952 -0.00046791
-0.01105499 -0.00687559 -0.02251439
4.19474249 3.57784964 -0.59688565
-0.00125994 0.00075104 0.00095433
-0.01783364 -0.00026521 -0.00155197
5.37499788 5.80548972 0.92001052
0.00108071 -0.00074345 0.00086312
-0.00569165 0.00638860 -0.00116909
17.57527469 -3.68949737 -0.50463856
0.00106902 -0.00047293 0.00014739
0.00151198 0.01688081 -0.00077728
16.18892020 -6.21761010 -0.95730200
-0.00006138 0.00159634 -0.00001512
0.01102678 0.00285581 0.00495618
-6.53595993 2.85111482 -1.78216100
-0.00131336 0.00027729 0.00028156
0.04269148 -0.01210851 -0.01288317
-4.97379478 1.23637380 -3.90482566
0.00042541 0.00036039 -0.00019564
-0.00428297 0.01043431 0.02633752
2.51751545 2.84963570 -11.40326748
-0.00041691 0.00007118 -0.00102324
0.00140829 0.00712027 -0.01233717
0.32707709 1.34922523 -10.38716791
0.00042010 -0.00073773 -0.00056546
-0.00288039 0.02802011 -0.05118070
17.07856990 8.11044862 -7.76233264
0.00029669 -0.00071135 -0.00068440
-0.00655888 -0.01461364 -0.01182157
15.86477285 10.54672334 -6.84981444
-0.00139450 0.00054744 0.00109292
-0.00650172 0.00092331 0.00455896
-7.05234077 0.66023302 11.13636918
-0.00113830 0.00103292 0.00024766
-0.00236072 -0.00017021 -0.02118885
-8.08443701 1.47395668 13.85558085
-0.00005378 -0.00088130 0.00034126
0.03175325 -0.00250512 -0.02102713
-2.23731549 -16.72851409 14.14264239
-0.00077663 0.00018903 0.00031721
-0.02467964 0.00110560 -0.01366174
-4.80747647 -17.56389433 12.33960979
0.00047127 0.00061192 0.00022421
0.03677297 0.02006611 0.02257190
6.90086478 -6.18079173 -4.48979075
0.00081682 0.00066941 0.00015935
0.01168716 -0.00570570 -0.00899268
5.47643714 -7.86812747 -6.31155972
0.00010563 0.00019008 -0.00071001
0.00901428 0.00522718 -0.00258332
-2.76717660 -11.46219094 2.09689260
0.00009986 -0.00004810 -0.00059521
-0.01821555 -0.00175916 0.00434218
-0.33443286 -10.12422741 2.09220433
-0.00039226 -0.00025991 -0.00123029
0.00612170 0.00217153 0.00580152
-14.71406839 -0.85442726 6.04817787
0.00036080 0.00065979 0.00111367
0.01816633 0.01354781 0.00524911
-15.86062732 -1.90047053 3.61837135
0.00041815 0.00010345 -0.00009055
0.00791380 0.00444775 -0.01908476
-9.53357750 4.60897822 -23.49482105
0.00000640 -0.00035733 -0.00078295
-0.00506429 0.01228763 -0.01004747
-8.98463480 4.37803100 -20.57750416
0.00008093 0.00037511 0.00043116
0.00073428 0.01305572 0.00796646
2.12064754 1.01400373 -3.17943612
0.00081890 -0.00081959 -0.00098411
-0.01107067 -0.00901774 0.00243018
0.68680016 0.39835424 -0.50819694
0.00054671 0.00031672 0.00005601
-0.03351996 -0.01818264 0.00563590
14.06141003 9.32789655 3.45253377
0.00046052 -0.00004599 -0.00066249
0.01228285 0.01413354 -0.00394753
11.34587660 8.86388836 2.44480852
0.00097863 -0.00066840 0.00027321
-0.00166239 0.01034670 -0.01330794
5.40858003 -9.24125814 -10.56116689
-0.00007761 -0.00017219 0.00003202
0.00069908 0.00741249 -0.00996976
-12.99861182 10.40747652 21.25935671
0.00008435 -0.00003168 0.00010656
0.00707320 -0.00113700 -0.00324426
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06762693
0.31425846
418.73363951
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1870632774
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.4186711854 (a.u.)
total exchange computation time: 3.3288080692 s
-154.3377891266
-931.38060433
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1870632774
ExchangeOperator: bisection time: 2.054 s
total exchange = -52.4179395253 (a.u.)
total exchange computation time: 3.3313691616 s
-154.3440914480
Anderson extrapolation: theta=1.3432681668 (1.3432681668)
-931.38083877
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1870632774
ExchangeOperator: bisection time: 2.054 s
total exchange = -52.4168586625 (a.u.)
total exchange computation time: 3.3297071457 s
-154.3532062956
Anderson extrapolation: theta=0.0511450935 (0.0511450935)
-931.38097649
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1870632774
ExchangeOperator: bisection time: 2.055 s
total exchange = -52.4167263627 (a.u.)
total exchange computation time: 3.3294081688 s
-154.3542510713
Anderson extrapolation: theta=1.9036779896 (1.9036779896)
-931.38098127
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1870632774
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.4164513595 (a.u.)
total exchange computation time: 3.3296530247 s
-154.3563975078
Anderson extrapolation: theta=0.2212954224 (0.2212954224)
-931.38098588
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1870632774
ExchangeOperator: bisection time: 2.060 s
total exchange = -52.4163840279 (a.u.)
total exchange computation time: 3.3303358555 s
-154.3568962984
Anderson extrapolation: theta=1.8665102727 (1.8665102727)
-931.38098668
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1870632774
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.4162775613 (a.u.)
total exchange computation time: 3.3302710056 s
-154.3576463054
Anderson extrapolation: theta=0.2871290354 (0.2871290354)
-931.38098748
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1870632774
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.4162671478 (a.u.)
total exchange computation time: 3.3294398785 s
-154.3576791981
Anderson extrapolation: theta=1.2932814299 (1.2932814299)
-931.38098764
237.814146 30.586640 202.500424
-142.408049 489.793911 -805.629382
95.406097 520.380550 -603.128959
802.285972
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1870632774
ExchangeOperator: bisection time: 2.056 s
total exchange = -52.4162693960 (a.u.)
total exchange computation time: 3.3281540871 s
679.53566621
-1085.00566056
89.71078656
-388.27427624
-174.93123425
79.00018002
551.60419304
0.00000000
-931.38098768
-8.78213913 -3.94129227 3.64378736
0.00011718 -0.00006601 0.00003646
0.07600382 -0.01220998 -0.01094359
-17.82399551 4.39559349 6.48218265
0.00000904 -0.00038239 -0.00019107
-0.00042329 0.00358641 0.00765517
-15.54315569 -0.85688086 0.42256460
-0.00001395 0.00000486 -0.00030466
-0.02135518 -0.08864502 -0.02726168
3.18187988 -20.60940918 15.52730955
-0.00048637 0.00023147 -0.00021711
0.03707132 0.00839125 0.01873347
7.66824250 16.00032547 -1.31211413
0.00033115 0.00007616 0.00023411
-0.00426501 0.00517229 0.00719161
-9.88537194 9.48043442 11.06981707
-0.00017689 -0.00025790 -0.00019806
0.00681685 0.00277602 0.00132930
-8.31918353 -0.46683432 -14.30158236
-0.00024657 0.00009578 -0.00023501
0.03805245 0.01080752 0.03455948
-10.79892542 2.36654664 -7.00187650
0.00002250 0.00001387 0.00010811
0.01392465 0.01213612 -0.00580758
-0.33713380 -5.74194266 15.32122831
-0.00023669 0.00003582 0.00041547
0.01727949 0.01106492 0.03234426
-25.68596883 -0.71544329 -20.70759300
-0.00031775 -0.00017172 0.00018360
0.01912250 0.03229178 0.00485708
8.87957308 7.51314377 7.85504900
0.00003930 0.00000009 -0.00000574
-0.01841310 -0.01857426 -0.00125687
20.80687699 28.66058638 -5.02598640
0.00018224 -0.00033993 -0.00014037
0.01744621 0.00373625 0.00258084
7.72373772 -1.54169187 -7.24730663
0.00000574 -0.00006225 -0.00007882
0.00752121 -0.02873327 0.00099297
-9.25281366 -3.47349274 13.51917934
0.00009219 0.00005128 0.00024443
-0.03675973 -0.01162595 -0.00873517
-1.26952057 -22.72972113 13.97577465
0.00003317 0.00009761 0.00027125
-0.01444835 0.00776805 0.01190825
-11.04535163 -8.66703493 -8.12388085
0.00007754 -0.00016795 0.00030905
0.02000107 0.04507045 -0.02328268
-15.90192714 -8.57235384 -15.50351655
-0.00001195 -0.00018439 -0.00004655
-0.00600590 -0.01596836 -0.01115101
16.79633580 12.73436515 3.59228301
0.00044083 0.00015235 0.00006202
0.00246289 -0.01315062 0.01207997
20.16174190 -4.59746365 -14.76172834
-0.00017053 0.00003567 -0.00013568
-0.03034711 -0.04147278 0.00932609
-0.39617780 8.15155716 -14.90726270
0.00028377 -0.00002844 -0.00006388
-0.00551303 0.01075210 0.01526071
0.64289156 -0.60967632 -16.95231332
-0.00015871 0.00040413 -0.00025398
0.03842360 0.00374548 0.00888937
11.88096886 20.95802923 -23.17356087
0.00021579 -0.00035254 -0.00011643
-0.00544781 -0.01115445 -0.00058440
-11.30535005 15.23750923 -16.28327172
-0.00018098 -0.00012557 -0.00014194
0.00418348 -0.00866201 0.03121888
4.56779084 17.62944536 10.70948396
0.00022722 0.00025156 -0.00034825
-0.01496206 0.01493939 0.00171900
-2.17352491 -11.08534144 -3.52201084
-0.00025719 0.00008497 -0.00013290
0.01567061 -0.00814107 -0.00440516
1.28797317 -8.14988895 3.81565053
0.00018403 -0.00002997 0.00026881
-0.04473427 0.02648697 0.00103916
9.59667301 2.03456944 8.25751352
-0.00008625 0.00040909 0.00010217
0.00164546 0.00325464 -0.00865000
-6.94968134 -9.21388944 -3.06536108
0.00000292 0.00032112 0.00004426
-0.00522943 0.00930263 -0.00623323
3.87461022 -12.30320742 -13.08464421
-0.00015977 0.00036212 -0.00030616
-0.01748903 -0.00745313 -0.01158986
1.23827307 -4.54956798 -0.89995203
0.00011692 0.00007854 0.00019367
-0.01735341 0.03011732 -0.01484093
17.11213551 4.50892472 27.10106788
0.00038954 0.00010174 -0.00025623
0.01489229 0.03082850 -0.03902535
-9.67503134 6.07022925 -4.37680732
-0.00022769 0.00004882 0.00036688
-0.01748419 -0.01042557 0.02840512
-4.83209630 14.93624678 -9.29484555
0.00031034 0.00000884 -0.00020732
0.00098649 -0.00116553 0.01097939
2.96859824 12.20563648 -6.88544205
-0.00010923 0.00012088 -0.00014573
0.00465422 0.00335841 -0.00030917
-4.14528026 11.94146612 -13.73985316
0.00020063 0.00019911 0.00007947
0.02764144 -0.01372990 -0.00404609
3.85984673 7.28924195 17.32555282
-0.00000305 0.00016342 -0.00017282
-0.00083307 -0.00386711 -0.01445562
-15.42428976 8.68067594 -9.10781925
-0.00048654 -0.00012499 -0.00011722
-0.06668908 0.00513331 0.01185761
3.75648366 9.21746359 0.55547316
0.00005266 -0.00013557 0.00013506
-0.03794470 -0.01519996 0.00278879
15.85600247 -24.04687084 -26.68291060
0.00008020 -0.00004497 0.00005486
0.01077548 -0.00026633 0.01361591
5.69514226 4.16400175 0.22156865
-0.00012362 0.00001911 0.00027447
0.01876050 -0.00661515 0.00419405
17.24961632 -5.28639360 0.25516842
0.00017164 -0.00010054 -0.00034889
-0.01463109 -0.02671406 0.00342201
-4.73983729 2.41648223 -2.43668799
-0.00012589 -0.00012003 0.00032535
-0.03057588 0.01122108 -0.00314632
0.79695658 2.51696751 -11.92665446
-0.00013544 0.00019507 0.00001400
-0.00673744 -0.03880657 0.04735583
15.40481774 8.84207486 -7.31959028
-0.00008334 -0.00006971 0.00034433
0.01795795 0.01995874 0.00753998
-6.45420575 1.01356763 12.80000762
-0.00031613 0.00018933 0.00014906
-0.02754600 0.01493908 0.03751354
-3.55944929 -16.20302937 12.89551370
-0.00017925 -0.00019103 0.00006220
-0.00819532 -0.01815223 -0.01935680
7.04128591 -6.80526460 -6.27582364
-0.00020402 0.00032284 -0.00033637
-0.02670065 0.00213884 0.02336509
-1.11109778 -11.63232205 1.37608023
0.00001381 -0.00014131 -0.00035744
0.00318117 -0.00949057 -0.01195680
-16.09190048 -1.78344839 5.41738405
0.00030196 -0.00008899 0.00049296
-0.02368663 -0.01312206 0.01425268
-9.20746018 3.46318997 -22.12557955
-0.00020914 -0.00033439 -0.00039842
0.00861293 -0.00934316 0.01328684
2.02449705 1.13300635 -1.35069695
-0.00044352 -0.00024807 -0.00003306
0.04880870 0.03258642 -0.02622731
12.51916011 8.48324311 3.77216353
0.00000064 -0.00023759 -0.00017626
-0.00378192 -0.02274960 0.01869225
-7.11383394 -4.47021057 2.68057097
0.00076333 -0.00061326 0.00104682
-0.04280532 0.01948186 0.01294265
-10.01918459 -3.86912371 2.35983861
-0.00001824 -0.00034083 0.00082998
-0.01349253 0.01253750 -0.02451289
-16.51430784 5.62313322 6.81869794
0.00108707 -0.00016982 -0.00039305
0.00281209 0.00627264 0.00472066
-17.23880854 3.61751205 4.96832837
-0.00026701 0.00051614 -0.00005471
0.00060401 -0.00759432 -0.01304814
-16.19627129 0.77377280 0.54971904
0.00092897 0.00014416 0.00033424
-0.01343191 0.04181352 0.00042965
-16.93895697 -1.93884505 -0.45780188
0.00073802 -0.00051110 -0.00050110
0.03851420 0.03837386 0.02411685
1.56638965 -21.15623030 14.94885226
-0.00032710 -0.00083983 0.00026812
-0.02478013 0.00930696 -0.00116668
3.39036700 -18.81792259 15.99917519
0.00020287 -0.00007691 0.00054959
-0.01123442 -0.01545731 -0.01113675
8.09813582 14.21618166 -1.20832726
-0.00034995 -0.00012624 -0.00011184
0.00728134 -0.01216050 -0.00233313
7.16264904 16.35684499 0.40409669
-0.00065252 -0.00008602 -0.00084748
-0.00072942 0.00507213 -0.00377193
-8.59402505 9.53151367 12.42845819
-0.00029528 -0.00062636 0.00020349
-0.00472732 -0.01810587 -0.00425610
-10.73009021 11.03218233 11.48420751
-0.00084130 0.00038230 -0.00012611
-0.00660673 0.01085455 0.00050973
-9.90839947 0.30653724 -14.52276488
0.00048209 -0.00003136 0.00031488
-0.03006446 0.00925433 -0.00460260
-8.11058260 -1.81493829 -15.42328305
-0.00013179 0.00155523 -0.00048625
-0.00484913 -0.01997083 -0.02698422
-12.08506155 1.15370464 -6.94888838
0.00060139 0.00004793 0.00028795
-0.02442995 -0.02881798 -0.00119858
-11.23683565 3.66243276 -5.76064209
-0.00050686 0.00068607 0.00047946
0.01571594 -0.00022445 -0.00713107
-1.92068857 -6.36540190 14.71205064
0.00004756 -0.00045208 0.00025055
-0.02035325 -0.00466755 -0.00709937
-0.43670027 -5.64315133 17.19381377
-0.00011086 -0.00021416 -0.00030111
0.00096892 -0.00587889 -0.02179651
-24.72333773 -0.40145128 -19.12081633
0.00051282 0.00036169 -0.00108644
-0.00453617 -0.00307648 -0.02403405
-25.61793474 0.85318113 -21.81663049
-0.00028062 -0.00050797 -0.00070687
-0.00716901 -0.02537022 0.01263725
9.54595411 8.37019258 6.42224916
0.00047229 -0.00115822 -0.00088835
0.01457015 0.00565723 -0.01066692
10.01549825 7.90747059 9.22398247
-0.00014330 0.00010549 0.00006232
0.01107760 0.00371695 0.00491217
19.84795679 27.57079319 -3.94413717
0.00001745 -0.00010784 0.00055259
-0.00806517 -0.00961771 0.00918884
20.33732643 30.42958729 -4.55345957
0.00034132 0.00058761 -0.00053693
-0.00111276 -0.00128200 -0.00106451
6.02299458 -0.91667716 -7.16164652
-0.00125722 0.00012271 -0.00058991
-0.00690379 0.00836713 -0.00012136
7.53390877 -3.41360753 -7.10593028
0.00081207 0.00003824 0.00024240
-0.00286006 0.02199043 -0.00109533
-8.70561160 -2.21814103 12.32774464
0.00106844 0.00055952 -0.00031512
0.00793539 0.00428675 -0.00533152
-11.13262069 -3.34484650 13.35299612
-0.00002502 -0.00093966 0.00054588
0.02633373 0.00358835 0.00907547
-1.08849133 -24.23422742 15.02426773
0.00070245 0.00012587 -0.00057815
-0.00150865 -0.00455056 -0.00929830
-3.04307035 -22.13938221 14.15311422
0.00020556 -0.00027927 0.00078912
0.01382748 -0.00708339 -0.00759733
-12.64133435 -8.21361026 -7.18401375
-0.00051481 -0.00030067 -0.00068352
0.01691521 0.00620541 -0.00903449
-10.29562910 -7.01062211 -8.93306484
0.00016128 0.00179216 0.00084378
-0.02914318 -0.05031196 0.03222794
-16.18479229 -10.35392691 -15.93926528
0.00035231 0.00077668 0.00054123
0.00394023 0.01275915 0.01258398
-14.23616214 -8.13582318 -16.21177615
-0.00011829 0.00018295 0.00004963
-0.00084825 0.00371924 0.00274503
17.32653136 12.91118768 5.37149032
0.00039815 0.00015073 -0.00001901
-0.00826947 -0.00716878 -0.00528325
17.16668708 14.30269257 2.80448598
-0.00055364 0.00056869 0.00009233
0.00412411 0.01496169 -0.01122695
18.36139888 -4.38734905 -15.01142685
-0.00042959 -0.00059806 0.00020172
0.00414573 -0.00717747 0.00466170
20.76360596 -3.06656924 -15.36279200
-0.00081282 -0.00035695 0.00021507
0.03050033 0.04275106 -0.01779485
-0.84315711 6.91591376 -13.65456249
0.00170031 -0.00090972 -0.00055907
-0.00483817 -0.00554950 0.00856579
-0.09554577 7.15921998 -16.35826356
-0.00086918 0.00061466 -0.00030692
0.00269521 -0.00964013 -0.02278544
0.74254359 0.61500964 -15.55068562
-0.00026389 0.00032911 0.00006095
-0.00208279 -0.00432400 -0.00585884
2.51795387 -1.05477180 -17.16755718
-0.00070050 0.00001179 0.00071435
-0.03661921 0.00726446 0.00546349
12.46323230 22.47286297 -22.26299802
0.00112584 0.00071429 0.00076626
-0.01572909 -0.00437052 -0.00953674
10.01379949 20.97737826 -23.30590460
0.00087549 -0.00060881 -0.00041284
0.01898424 0.00700535 0.00613534
-9.94196067 16.05716234 -17.31580070
0.00014632 0.00020872 -0.00109664
-0.01027409 -0.00137808 0.00932833
-10.81678595 15.56627700 -14.51492800
-0.00010183 0.00077255 0.00005347
-0.00769799 -0.00522170 -0.02339118
3.25733856 18.75218783 11.37280502
0.00150229 -0.00061462 -0.00051014
0.00759936 -0.01350508 0.00188174
4.75284945 18.32176208 9.02817520
-0.00038735 0.00045973 0.00006330
0.00706692 -0.00675156 -0.00625597
-3.91892583 -10.48443328 -3.37624434
0.00129282 -0.00064424 0.00006093
0.00782442 0.00026777 0.00933174
-1.37399883 -11.44835768 -1.84327121
-0.00061639 0.00022680 0.00119291
-0.02319493 0.01200020 -0.00627985
0.10559217 -7.35936873 5.03807834
-0.00020884 -0.00043844 0.00040753
0.00520567 -0.00094232 -0.01591679
2.66314778 -8.42443705 4.87716058
-0.00001727 -0.00012233 0.00076712
0.04547449 -0.00789252 0.02095540
7.89613118 1.87741580 8.86083041
-0.00039397 -0.00010139 -0.00121533
-0.00345155 0.00348863 0.00374523
9.74567808 3.78876372 7.68909587
-0.00007594 -0.00002741 0.00124151
-0.00435932 -0.00071946 0.00480674
-8.02808838 -8.52013173 -4.42658221
-0.00091686 0.00052473 0.00000055
0.00217498 -0.01485292 0.02082801
-7.91584012 -10.24261361 -1.87434579
0.00021567 0.00040008 -0.00084501
-0.00856240 0.00806868 -0.01412958
4.69300017 -13.55000732 -12.06346970
0.00003485 -0.00020638 0.00006059
0.01085350 -0.00490067 0.00668472
2.42032764 -13.20604036 -13.82420853
-0.00012891 0.00013848 -0.00016160
0.00249202 0.01043200 0.00172693
1.29263183 -5.88991733 0.24576723
-0.00006322 0.00079630 0.00015602
0.00952468 -0.03287330 0.02310581
-0.28251042 -3.71941701 -0.25798523
-0.00017733 -0.00050178 -0.00008742
0.00686037 0.00189856 -0.00709879
17.44130640 3.33777520 25.75979486
-0.00016073 -0.00027273 -0.00031700
0.00078248 -0.00173277 -0.00589771
16.69502095 3.46500936 28.41995837
0.00004844 0.00035528 0.00035150
-0.01643811 -0.03132987 0.04450924
-10.85917936 7.23816580 -3.59854250
0.00086908 -0.00014830 0.00042095
0.00770542 0.01326705 -0.00593829
-8.28848055 6.88059158 -5.26185311
-0.00037777 -0.00046316 0.00096714
-0.00273159 0.01669098 -0.00459943
-6.34314055 15.91870140 -9.11902378
0.00024582 -0.00014794 0.00018655
-0.00349287 0.00658432 0.00101215
-4.76358313 14.41091395 -11.03434138
0.00047237 0.00016652 -0.00025036
0.00638436 -0.00629177 -0.00763991
2.72830585 10.93928466 -5.59545872
-0.00015792 0.00002133 0.00080445
0.00262074 -0.00513883 -0.00219444
1.40778959 13.13267822 -6.99604103
-0.00061763 0.00067977 -0.00013594
-0.00744887 0.00996269 0.00285930
-2.45156293 11.12818094 -14.23515789
0.00039218 0.00014244 0.00015253
-0.04244996 0.00576157 0.01591895
-5.30327242 10.61779466 -13.15259433
-0.00008105 0.00013931 0.00043722
0.01315677 0.00513327 -0.00849336
4.50516694 7.57396462 18.97544674
0.00063817 -0.00087442 -0.00007382
0.01045323 0.00317099 0.02065713
2.10036029 6.86792020 17.60309937
0.00009985 -0.00057048 0.00076773
-0.01395898 -0.00083990 -0.00319732
-13.70050085 8.62275448 -8.99837151
-0.00006400 -0.00066038 0.00019420
0.05824622 -0.00731907 0.01054201
-16.24780627 8.45311244 -7.43129364
0.00094883 0.00005696 0.00029385
0.01363838 -0.00291407 -0.01775605
4.98257022 10.44319493 0.61922304
0.00046792 0.00053455 0.00077172
0.06245112 0.02612526 -0.00571491
2.38539814 10.32624893 1.01259272
-0.00046915 0.00106645 -0.00099447
-0.01734631 -0.02065941 0.00113899
14.37268434 -23.76573214 -25.62358651
0.00027656 0.00009832 -0.00008648
-0.00560689 -0.00096904 0.00536239
15.14438945 -24.51834465 -28.26065749
0.00024270 -0.00166373 -0.00054556
-0.00863167 -0.00497356 -0.01549897
4.17529698 3.58910716 -0.58261824
-0.00132673 0.00075111 0.00095125
-0.01486435 0.00029687 0.00004561
5.39103419 5.79453375 0.93292154
0.00105593 -0.00070749 0.00086254
-0.00643817 0.01121331 0.00088138
17.59135637 -3.69607406 -0.50245152
0.00107656 -0.00039804 0.00014270
0.00217945 0.01977858 -0.00152049
16.18833743 -6.19357743 -0.95737699
-0.00002370 0.00160041 -0.00000279
0.00741616 -0.00086275 0.00107909
-6.55435212 2.85490316 -1.77833243
-0.00113048 0.00022513 0.00022651
0.04683153 -0.01342523 -0.01406136
-4.96754489 1.24209932 -3.90695324
0.00040708 0.00040284 -0.00008768
-0.00468907 0.01034972 0.02651283
2.51130499 2.85092166 -11.41899412
-0.00040281 0.00010195 -0.00107059
0.00549104 0.00793839 -0.01084250
0.33329034 1.33901794 -10.39721810
0.00040794 -0.00062219 -0.00077283
-0.00307290 0.02853829 -0.05033206
17.08281925 8.09933050 -7.77296090
0.00026233 -0.00076440 -0.00072947
-0.01025989 -0.01135368 -0.01024255
15.84365610 10.55496330 -6.83328100
-0.00141995 0.00054274 0.00110867
-0.00595577 -0.00322607 0.00315379
-7.06948755 0.67572164 11.13943484
-0.00114646 0.00103266 0.00016175
-0.00163763 0.00004323 -0.02086749
-8.08427069 1.46066040 13.86005541
0.00007418 -0.00088915 0.00025767
0.03088324 -0.00133922 -0.01989013
-2.24972121 -16.72564481 14.14698190
-0.00087303 0.00019193 0.00026500
-0.02250939 0.00031481 -0.01189720
-4.79928064 -17.55410062 12.34366467
0.00061357 0.00068572 0.00031308
0.03288420 0.01605902 0.02092685
6.91347527 -6.17092543 -4.48767613
0.00086268 0.00064263 0.00011716
0.01075890 -0.00740408 -0.01165613
5.47829776 -7.86511606 -6.32228904
0.00014029 0.00021138 -0.00071822
0.00795384 0.00519704 -0.00143614
-2.76623682 -11.46296633 2.08809744
0.00002314 -0.00005493 -0.00057631
-0.01934024 -0.00158256 0.00491007
-0.34012919 -10.12805958 2.07392778
-0.00036355 -0.00024379 -0.00120286
0.00793109 0.00572096 0.00762311
-14.70809974 -0.84411532 6.06504373
0.00042544 0.00070833 0.00112934
0.01347686 0.01021709 0.00242053
-15.85411263 -1.89878256 3.61642829
0.00044975 0.00012293 -0.00015899
0.00755790 0.00508848 -0.01441639
-9.53363675 4.60399482 -23.50687317
-0.00001412 -0.00030894 -0.00082136
-0.00497606 0.01139831 -0.00875476
-8.98339829 4.38405779 -20.57079269
0.00008180 0.00041948 0.00044773
-0.00031044 0.00866361 0.00014493
2.13259188 1.00143360 -3.19412323
0.00077190 -0.00085556 -0.00095890
-0.01194034 -0.00859412 0.00990826
0.69397365 0.40254784 -0.50718402
0.00039515 0.00023361 0.00008713
-0.04066907 -0.02250114 0.00959461
14.06869422 9.32763986 3.44247540
0.00050165 0.00000639 -0.00067574
0.00784885 0.01150352 -0.00253617
11.36050509 8.85417935 2.44849882
0.00095997 -0.00062283 0.00020647
-0.00747340 0.01196257 -0.01935782
5.40741781 -9.24382103 -10.56071334
-0.00007736 -0.00016952 0.00002843
0.00069270 0.00745655 -0.01009547
-12.99733427 10.40699941 21.26094949
0.00008599 -0.00003194 0.00010580
0.00704382 -0.00112366 -0.00332370
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06760609
0.31338159
417.56525787
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1870632774
ExchangeOperator: bisection time: 2.145 s
total exchange = -52.4159474330 (a.u.)
total exchange computation time: 3.3291170597 s
-154.3276061930
-931.37958104
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1870632774
ExchangeOperator: bisection time: 2.148 s
total exchange = -52.4152192981 (a.u.)
total exchange computation time: 3.3306820393 s
-154.3338682686
Anderson extrapolation: theta=1.3413887985 (1.3413887985)
-931.37981468
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1870632774
ExchangeOperator: bisection time: 2.147 s
total exchange = -52.4141436216 (a.u.)
total exchange computation time: 3.3301970959 s
-154.3429383574
Anderson extrapolation: theta=0.0507310376 (0.0507310376)
-931.37995173
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1870632774
ExchangeOperator: bisection time: 2.145 s
total exchange = -52.4140113148 (a.u.)
total exchange computation time: 3.3332629204 s
-154.3439940353
Anderson extrapolation: theta=1.8966597028 (1.8966597028)
-931.37995643
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1870632774
ExchangeOperator: bisection time: 2.146 s
total exchange = -52.4137368536 (a.u.)
total exchange computation time: 3.3312230110 s
-154.3461630316
Anderson extrapolation: theta=0.2203236053 (0.2203236053)
-931.37996093
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1870632774
ExchangeOperator: bisection time: 2.149 s
total exchange = -52.4136695972 (a.u.)
total exchange computation time: 3.3309578896 s
-154.3466719342
Anderson extrapolation: theta=1.8695109205 (1.8695109205)
-931.37996169
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1870632774
ExchangeOperator: bisection time: 2.145 s
total exchange = -52.4135629404 (a.u.)
total exchange computation time: 3.3310079575 s
-154.3474456523
Anderson extrapolation: theta=0.2876608115 (0.2876608115)
-931.37996245
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1870632774
ExchangeOperator: bisection time: 2.149 s
total exchange = -52.4135523603 (a.u.)
total exchange computation time: 3.3291509151 s
-154.3474878486
Anderson extrapolation: theta=1.2933304026 (1.2933304026)
-931.37996259
237.901692 30.615485 202.528838
-142.387153 489.813593 -805.645007
95.514539 520.429078 -603.116168
802.320737
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710029070
ExchangeOperator: pair fraction: ispin=0: 0.1870632774
ExchangeOperator: bisection time: 2.143 s
total exchange = -52.4135544438 (a.u.)
total exchange computation time: 3.3304171562 s
679.50214633
-1084.92358113
89.70960834
-388.32956547
-174.92501625
78.95557242
551.60419304
0.00000000
-931.37996262
-8.78008832 -3.94232945 3.64429204
0.00015707 -0.00007245 0.00003187
0.07911840 -0.01285529 -0.00689453
-17.82386156 4.38987155 6.47934612
0.00000983 -0.00037884 -0.00018581
0.00348142 0.01020695 0.01279123
-15.54344725 -0.85714984 0.41788949
-0.00002431 -0.00004093 -0.00031842
-0.01895921 -0.08944537 -0.02623719
3.17472730 -20.60590483 15.52412512
-0.00046708 0.00023535 -0.00020748
0.03792947 0.00671910 0.01871112
7.67319334 16.00148787 -1.30857472
0.00032939 0.00007843 0.00023620
-0.00257455 0.00365220 0.00094488
-9.88799896 9.47657668 11.06685132
-0.00017409 -0.00025511 -0.00019686
0.00408297 0.00806634 0.00331213
-8.32273530 -0.46535589 -14.30497417
-0.00022593 0.00010223 -0.00021567
0.04219303 0.01428174 0.04065274
-10.79853415 2.36680156 -7.00027719
0.00002990 0.00002177 0.00010609
0.01481909 0.01856229 -0.00204629
-0.34061754 -5.74136265 15.32758511
-0.00022779 0.00004140 0.00043076
0.01735292 0.01061042 0.02713319
-25.69066139 -0.71789454 -20.70482020
-0.00030834 -0.00015502 0.00018512
0.01748007 0.03263574 0.00104350
8.88009150 7.51307351 7.85495811
0.00002991 -0.00000920 -0.00000708
-0.01810258 -0.01756890 -0.00396429
20.80967793 28.65550191 -5.02808196
0.00019057 -0.00033750 -0.00013840
0.01494329 0.00568106 0.00507939
7.72385278 -1.54273640 -7.24848504
0.00000752 -0.00007575 -0.00007821
-0.00058664 -0.02377466 0.00135403
-9.25157261 -3.47276841 13.52281213
0.00007416 0.00004632 0.00023884
-0.03334623 -0.00764967 -0.01299464
-1.26907880 -22.72822705 13.97988929
0.00002612 0.00010208 0.00027686
-0.01295821 0.00960838 0.00989900
-11.04411135 -8.66938032 -8.11933487
0.00008821 -0.00014349 0.00029664
0.02149464 0.05003892 -0.02497269
-15.90212949 -8.57518136 -15.50425776
-0.00001481 -0.00019061 -0.00005174
-0.00512845 -0.00818735 -0.00903243
16.80295776 12.73659962 3.59325984
0.00044216 0.00014588 0.00006784
0.00270440 -0.01200270 0.01056012
20.15906693 -4.59708860 -14.76372755
-0.00018683 0.00001307 -0.00013042
-0.03305367 -0.04641846 0.01113471
-0.39194258 8.15117204 -14.90816197
0.00028081 -0.00002268 -0.00005557
-0.00599960 0.01163662 0.01703624
0.64065916 -0.60359991 -16.95608872
-0.00013964 0.00040639 -0.00024897
0.03573843 0.00502389 0.01060896
11.88418464 20.95269809 -23.17530960
0.00021506 -0.00035641 -0.00011548
0.00262342 -0.00390180 0.00427570
-11.30804856 15.23559225 -16.28528037
-0.00017796 -0.00012946 -0.00012613
0.00755389 -0.00647932 0.03026929
4.57114145 17.63327646 10.70426681
0.00022139 0.00025740 -0.00034786
-0.00773021 0.00773423 -0.00020613
-2.17732238 -11.08409826 -3.52402128
-0.00024585 0.00007956 -0.00013400
0.02844483 -0.01289747 0.00012340
1.29056111 -8.15023630 3.81968668
0.00016133 -0.00001646 0.00026982
-0.04355602 0.02605682 0.00288791
9.59538561 2.04071829 8.25901264
-0.00008538 0.00040946 0.00009816
0.00173138 -0.00180932 -0.00692809
-6.94965764 -9.20903670 -3.06472118
0.00000009 0.00032700 0.00003936
-0.00577754 0.01354495 -0.01282313
3.87214623 -12.29780438 -13.08928135
-0.00016808 0.00035723 -0.00031124
-0.01483553 -0.01156179 -0.00817179
1.23996000 -4.54827364 -0.89710416
0.00010803 0.00009473 0.00018527
-0.01724289 0.03283883 -0.01784490
17.11803605 4.51056972 27.09707394
0.00039695 0.00011656 -0.00027556
0.01394228 0.02682662 -0.03614595
-9.67851419 6.07092141 -4.37119461
-0.00023660 0.00004208 0.00038140
-0.01713070 -0.01580766 0.02808096
-4.82743742 14.93637490 -9.29791303
0.00031087 0.00000829 -0.00020164
0.00108931 -0.00098821 0.01112823
2.96697781 12.20746266 -6.88762926
-0.00010819 0.00012237 -0.00014501
-0.00063178 0.00243035 0.00314239
-4.14216420 11.94439984 -13.73867679
0.00021460 0.00019168 0.00007751
0.02670297 -0.01516654 -0.00356111
3.85979780 7.29167826 17.32290482
-0.00000377 0.00016136 -0.00017958
-0.00196208 -0.00412601 -0.01185948
-15.43184514 8.67882084 -9.10953186
-0.00051865 -0.00012234 -0.00011114
-0.05816870 0.00516860 0.01180175
3.75712722 9.21537143 0.55750977
0.00003360 -0.00014069 0.00013688
-0.03616755 -0.00471180 0.00428396
15.85724711 -24.04754643 -26.68203513
0.00008548 -0.00004570 0.00005988
0.00972132 -0.00256057 0.00588673
5.69336031 4.16426289 0.22570184
-0.00011471 0.00001424 0.00027562
0.01588106 -0.01233796 0.00027917
17.25213452 -5.28800478 0.24994820
0.00016496 -0.00011388 -0.00034586
-0.01133614 -0.02514693 0.00836807
-4.74184351 2.41472507 -2.43181993
-0.00014226 -0.00011391 0.00032406
-0.03311665 0.01258027 -0.00187000
0.79489894 2.51974379 -11.92626175
-0.00013989 0.00017497 0.00003759
-0.01053530 -0.03933358 0.04435059
15.40363698 8.84110620 -7.31439624
-0.00007346 -0.00005931 0.00034811
0.02045529 0.02048377 0.00717467
-6.45905389 1.01646527 12.80238828
-0.00033013 0.00019657 0.00016764
-0.02691439 0.01319197 0.03473159
-3.56216969 -16.20596480 12.89637210
-0.00018290 -0.00019880 0.00005233
-0.00600586 -0.01206544 -0.01904387
7.03812264 -6.80041375 -6.28077909
-0.00021717 0.00032435 -0.00032394
-0.02444608 0.00372704 0.02498046
-1.11087835 -11.63447827 1.37067248
0.00001506 -0.00014695 -0.00036408
0.00168229 -0.01244302 -0.01386240
-16.08746246 -1.78483380 5.42483343
0.00029117 -0.00009496 0.00049970
-0.01827529 -0.01012128 0.01196600
-9.21056400 3.45813803 -22.13150456
-0.00020450 -0.00033778 -0.00039007
0.00943359 -0.00384109 0.01919043
2.01803256 1.12941103 -1.35129397
-0.00041667 -0.00023043 -0.00004910
0.05557393 0.03601273 -0.03616733
12.51915513 8.47959150 3.76959165
0.00000133 -0.00024897 -0.00016553
0.00646123 -0.02149249 0.02304961
-7.10369567 -4.47881247 2.69666988
0.00058550 -0.00053218 0.00109728
-0.04424432 0.02020523 0.01175841
-10.01987164 -3.87385201 2.37153708
-0.00007719 -0.00028943 0.00072285
-0.01536394 0.01262343 -0.02792664
-16.49791561 5.62077814 6.81294691
0.00108851 -0.00015239 -0.00037490
-0.00210839 0.00226091 0.00416045
-17.24279521 3.62502141 4.96710788
-0.00026233 0.00047983 -0.00011686
0.00168902 -0.01017949 -0.01737368
-16.18274835 0.77721656 0.55474582
0.00087207 0.00031555 0.00033502
-0.01442278 0.04208265 -0.00004677
-16.92670648 -1.94533564 -0.46457941
0.00089213 -0.00035286 -0.00040301
0.03692301 0.03908513 0.02390246
1.56072378 -21.16854261 14.95283837
-0.00042830 -0.00079945 0.00026384
-0.02475676 0.01045950 -0.00093269
3.39306584 -18.81954995 16.00707777
0.00015513 -0.00013881 0.00050347
-0.01213403 -0.01484197 -0.01143786
8.09310969 14.21391541 -1.21007642
-0.00032022 -0.00017514 -0.00012098
0.00727388 -0.01177490 -0.00214048
7.15283883 16.35571008 0.39126887
-0.00065886 -0.00006303 -0.00085101
-0.00237226 0.00618349 0.00204372
-8.59859903 9.52156341 12.43138012
-0.00031622 -0.00069900 0.00018516
-0.00552306 -0.01745219 -0.00471447
-10.74291223 11.03824945 11.48233143
-0.00086025 0.00041476 -0.00012626
-0.00266767 0.00503238 -0.00058336
-9.90208939 0.30635048 -14.51818268
0.00034809 0.00001226 0.00029449
-0.03552768 0.01209551 -0.00537836
-8.11270806 -1.79222179 -15.43140372
-0.00014907 0.00146077 -0.00060744
-0.00361042 -0.02626952 -0.03233859
-12.07678927 1.15354056 -6.94460583
0.00049633 -0.00007442 0.00028347
-0.02699794 -0.03107356 -0.00099340
-11.24395693 3.67271686 -5.75366876
-0.00043988 0.00067661 0.00044242
0.01706815 -0.00440543 -0.01100036
-1.92059888 -6.37232607 14.71559140
-0.00003533 -0.00047083 0.00022158
-0.02022035 -0.00451260 -0.00708537
-0.43833342 -5.64654394 17.18862925
-0.00010755 -0.00023752 -0.00037985
0.00064895 -0.00555277 -0.01674934
-24.71578446 -0.39612023 -19.13784941
0.00049770 0.00034963 -0.00117731
-0.00286450 -0.00282634 -0.02044638
-25.62236368 0.84478413 -21.82684627
-0.00031036 -0.00061257 -0.00065448
-0.00739221 -0.02583222 0.01300886
9.55348496 8.35299263 6.40859705
0.00053018 -0.00113756 -0.00092614
0.01376726 0.00445452 -0.00783187
10.01368814 7.90916689 9.22506778
-0.00009722 0.00012136 0.00008203
0.01148114 0.00405167 0.00473603
19.84797135 27.56888088 -3.93556682
-0.00001226 -0.00014270 0.00058639
-0.00647882 -0.00744567 0.00735807
20.34241214 30.43836221 -4.56154617
0.00033816 0.00057456 -0.00054228
-0.00043479 -0.00510902 -0.00155556
6.00392469 -0.91458015 -7.17049887
-0.00126691 0.00014924 -0.00059096
0.00215944 0.00462064 -0.00039326
7.54600213 -3.41236001 -7.10232784
0.00079819 0.00012612 0.00023793
-0.00393362 0.02102476 -0.00109436
-8.68934186 -2.20961682 12.32285450
0.00109337 0.00056586 -0.00032636
0.00426765 -0.00118598 -0.00017345
-11.13218911 -3.35883151 13.36146242
0.00008300 -0.00092196 0.00058107
0.02654464 0.00507772 0.00815211
-1.07800077 -24.23247886 15.01531061
0.00069609 0.00010177 -0.00061225
-0.00160614 -0.00724683 -0.00739514
-3.03956323 -22.14378829 14.16471817
0.00025940 -0.00030721 0.00075838
0.01252686 -0.00659566 -0.00745075
-12.64853819 -8.21793015 -7.19454341
-0.00044599 -0.00027565 -0.00071895
0.01677253 0.00604127 -0.00830645
-10.29410300 -6.98528142 -8.91942061
0.00004002 0.00157664 0.00097744
-0.03021343 -0.05518874 0.03319908
-16.17938686 -10.34188566 -15.93076121
0.00036590 0.00081274 0.00058850
0.00271109 0.00488868 0.01055315
-14.23796248 -8.13296499 -16.21094755
-0.00012094 0.00019829 0.00006067
-0.00044919 0.00379137 0.00265588
17.33225025 12.91322900 5.37104330
0.00036480 0.00012170 -0.00003914
-0.00805923 -0.00704142 -0.00457352
17.15850890 14.31168134 2.80552685
-0.00053730 0.00062661 0.00004782
0.00387456 0.01339103 -0.01056058
18.35508204 -4.39653985 -15.00825818
-0.00041040 -0.00062722 0.00022098
0.00525075 -0.00709629 0.00476784
20.75234830 -3.07061354 -15.36011130
-0.00068514 -0.00017216 0.00013847
0.03200080 0.04770558 -0.01969994
-0.81780067 6.90209789 -13.66268612
0.00168001 -0.00093244 -0.00052246
-0.00510021 -0.00557329 0.00935609
-0.10850085 7.16814449 -16.36356556
-0.00085728 0.00057336 -0.00040553
0.00312775 -0.01057476 -0.02548705
0.73852145 0.61981372 -15.54995093
-0.00027299 0.00031021 0.00003516
-0.00237166 -0.00492471 -0.00676621
2.50632429 -1.05437232 -17.15667451
-0.00084391 0.00004010 0.00073445
-0.03358349 0.00659254 0.00437773
12.47963796 22.48344340 -22.25179631
0.00105371 0.00068053 0.00071698
-0.01957908 -0.01215753 -0.01458821
10.02751362 20.96846079 -23.31190921
0.00094432 -0.00057896 -0.00038771
0.01470854 0.00760685 0.00616591
-9.94008076 16.06025084 -17.33196438
0.00009835 0.00019956 -0.00105181
-0.01320687 -0.00310350 0.01261344
-10.81854929 15.57770519 -14.51484280
-0.00013400 0.00075042 -0.00004631
-0.00804891 -0.00561054 -0.02544834
3.28010574 18.74255475 11.36521062
0.00151691 -0.00065629 -0.00049263
-0.00044340 -0.00689688 0.00668893
4.74725575 18.32845111 9.02893304
-0.00035666 0.00043324 0.00003186
0.00795414 -0.00621584 -0.00913681
-3.89929375 -10.49408864 -3.37504448
0.00130181 -0.00063523 0.00009918
-0.00342646 0.00413906 0.00939145
-1.38395543 -11.44458789 -1.82557002
-0.00071337 0.00027664 0.00115758
-0.02427781 0.01239255 -0.01101406
0.10261909 -7.36597415 5.04370352
-0.00018639 -0.00044277 0.00034109
0.00578573 -0.00117745 -0.01660404
2.66428222 -8.42651392 4.88930944
0.00016460 -0.00015380 0.00084958
0.04354961 -0.00751152 0.01941407
7.89011593 1.87600188 8.84271517
-0.00040954 -0.00008735 -0.00119928
-0.00417188 0.00338529 0.00411309
9.74440544 3.78833045 7.70786587
-0.00009244 -0.00001992 0.00125731
-0.00371746 0.00438665 0.00292351
-8.04177463 -8.51271596 -4.42593578
-0.00090236 0.00046156 0.00009085
0.00492029 -0.01606961 0.02337563
-7.91286748 -10.23636511 -1.88745393
0.00017555 0.00042694 -0.00089480
-0.01107347 0.00507570 -0.01024183
4.69385546 -13.55325323 -12.06235608
0.00007387 -0.00021820 0.00008142
0.00824609 -0.00088309 0.00351295
2.41847032 -13.20364345 -13.82657956
-0.00011838 0.00018143 -0.00015502
0.00266428 0.01058998 0.00149349
1.29197535 -5.87898021 0.24881557
-0.00002279 0.00065412 0.00025669
0.01026705 -0.03672158 0.02617119
-0.28496016 -3.72688558 -0.25951403
-0.00015078 -0.00049184 -0.00011649
0.00613596 0.00296948 -0.00713203
17.43891937 3.33363114 25.75485914
-0.00015815 -0.00027846 -0.00033812
0.00048250 -0.00107273 -0.00444183
16.69524386 3.46937852 28.42659482
-0.00001589 0.00023402 0.00052430
-0.01505345 -0.02802607 0.04007356
-10.84590701 7.23634790 -3.59241022
0.00089209 -0.00008637 0.00040199
0.00355816 0.01704733 -0.00334019
-8.29423086 6.87415565 -5.24748697
-0.00038129 -0.00039154 0.00094327
0.00101136 0.01836898 -0.00708459
-6.33956024 15.91668409 -9.11619453
0.00023196 -0.00012171 0.00018998
-0.00329444 0.00625638 0.00066528
-4.75630193 14.41321899 -11.03833089
0.00049784 0.00014107 -0.00028116
0.00608036 -0.00616689 -0.00743862
2.72601737 10.93944707 -5.58345921
-0.00014593 0.00000823 0.00078715
0.00324651 -0.00127289 -0.00627309
1.39829695 13.14318005 -6.99799255
-0.00063803 0.00071441 -0.00012315
-0.00254014 0.00699366 0.00340202
-2.44698110 11.13049409 -14.23238220
0.00021781 0.00016596 0.00021799
-0.04290213 0.00575157 0.01612395
-5.30408493 10.62004167 -13.14629630
-0.00002440 0.00016320 0.00040110
0.01457175 0.00655893 -0.00918760
4.51505984 7.56094545 18.97497246
0.00068012 -0.00086185 0.00000720
0.01008221 0.00298128 0.01899957
2.10143023 6.85933734 17.61451728
0.00004585 -0.00057291 0.00075331
-0.01247007 -0.00035223 -0.00386157
-13.69967608 8.61262453 -8.99513553
0.00016165 -0.00068986 0.00023432
0.05221179 -0.00711096 0.00909876
-16.23315584 8.45387755 -7.42742992
0.00099975 0.00004470 0.00022389
0.01128549 -0.00308891 -0.01649213
4.99150270 10.45201374 0.63062364
0.00070931 0.00062759 0.00074846
0.05571202 0.01941795 -0.00566821
2.37782928 10.34161264 0.99771058
-0.00052932 0.00097413 -0.00099293
-0.01210351 -0.02453285 -0.00038340
14.37666096 -23.76428701 -25.62471933
0.00025077 0.00009451 -0.00006383
-0.00701953 -0.00089455 0.00572079
15.14776543 -24.54345295 -28.26931588
0.00021261 -0.00167952 -0.00059370
-0.00609602 -0.00275585 -0.00806267
4.15494048 3.60038287 -0.56834804
-0.00138046 0.00075369 0.00095496
-0.01143678 0.00096899 0.00176623
5.40667592 5.78426500 0.94588658
0.00102841 -0.00065247 0.00087022
-0.00703730 0.01571845 0.00288075
17.60757162 -3.70143861 -0.50035767
0.00108660 -0.00031287 0.00013568
0.00273475 0.02191253 -0.00191594
16.18820917 -6.16959765 -0.95738584
-0.00000143 0.00158922 -0.00000694
0.00348649 -0.00461823 -0.00310837
-6.56987419 2.85786872 -1.77536562
-0.00093281 0.00016819 0.00016745
0.04992694 -0.01444581 -0.01485005
-4.96158238 1.24845914 -3.90745595
0.00038707 0.00044422 0.00001996
-0.00510660 0.00990282 0.02617690
2.50543105 2.85269413 -11.43538527
-0.00037216 0.00013594 -0.00111191
0.00951566 0.00870335 -0.00938459
0.33931527 1.33055965 -10.41035294
0.00039478 -0.00050568 -0.00097512
-0.00337090 0.02849257 -0.04868956
17.08643981 8.08751657 -7.78421689
0.00021352 -0.00080431 -0.00076805
-0.01363488 -0.00818040 -0.00864216
15.82217435 10.56300554 -6.81655426
-0.00144288 0.00052146 0.00111870
-0.00527062 -0.00719000 0.00175318
-7.08673469 0.69121291 11.14122162
-0.00115113 0.00103361 0.00007877
-0.00064398 0.00041953 -0.01975190
-8.08221166 1.44728204 13.86331099
0.00019753 -0.00089209 0.00017943
0.02949746 -0.00010000 -0.01840987
-2.26350644 -16.72275624 14.15059229
-0.00095967 0.00019141 0.00022080
-0.01990043 -0.00056917 -0.00973707
-4.78906946 -17.54332272 12.34900208
0.00073804 0.00074125 0.00039424
0.02804808 0.01112168 0.01880353
6.92674512 -6.16151290 -4.48627586
0.00090453 0.00060921 0.00006487
0.00972938 -0.00895463 -0.01394410
5.48064584 -7.86178614 -6.33310638
0.00017013 0.00023220 -0.00072173
0.00665481 0.00499348 -0.00028258
-2.76648233 -11.46383872 2.07960321
-0.00005686 -0.00006106 -0.00055555
-0.01982153 -0.00141889 0.00525269
-0.34533946 -10.13154114 2.05611842
-0.00032776 -0.00021351 -0.00116821
0.00959122 0.00910114 0.00933839
-14.70130515 -0.83317721 6.08205793
0.00047030 0.00074269 0.00113308
0.00848028 0.00660027 -0.00058662
-15.84713474 -1.89678273 3.61360171
0.00047971 0.00014502 -0.00020774
0.00710637 0.00572467 -0.00944698
-9.53400096 4.59970999 -23.51946184
-0.00003403 -0.00026487 -0.00085380
-0.00477039 0.01017344 -0.00712616
-8.98218081 4.39061553 -20.56407233
0.00007845 0.00044627 0.00043317
-0.00132982 0.00444828 -0.00727280
2.14380443 0.98833678 -3.20820310
0.00072131 -0.00088970 -0.00090467
-0.01282209 -0.00811350 0.01663624
0.69865468 0.40536242 -0.50558308
0.00021762 0.00013460 0.00013272
-0.04623311 -0.02596539 0.01272369
14.07645944 9.32808819 3.43226160
0.00052412 0.00004772 -0.00068299
0.00315288 0.00872677 -0.00101396
11.37467557 8.84520348 2.45100276
0.00091808 -0.00057089 0.00011549
-0.01303034 0.01346221 -0.02517906
5.40625931 -9.24634388 -10.56031398
-0.00007712 -0.00016685 0.00002480
0.00066231 0.00749370 -0.01020185
-12.99603220 10.40651839 21.26253070
0.00008762 -0.00003220 0.00010502
0.00702430 -0.00110102 -0.00338962
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06757986
0.31238276
416.23436923
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1864575446
ExchangeOperator: bisection time: 2.144 s
total exchange = -52.4120443945 (a.u.)
total exchange computation time: 3.4720678329 s
-154.3136204576
-931.37830658
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1864575446
ExchangeOperator: bisection time: 2.145 s
total exchange = -52.4113453522 (a.u.)
total exchange computation time: 3.4715609550 s
-154.3197231976
Anderson extrapolation: theta=1.3473546279 (1.3473546279)
-931.37854336
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1864575446
ExchangeOperator: bisection time: 2.149 s
total exchange = -52.4103175145 (a.u.)
total exchange computation time: 3.4706168175 s
-154.3285586761
Anderson extrapolation: theta=0.0532537634 (0.0532537634)
-931.37868388
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1864575446
ExchangeOperator: bisection time: 2.145 s
total exchange = -52.4101964811 (a.u.)
total exchange computation time: 3.4704110622 s
-154.3295720730
Anderson extrapolation: theta=1.9682379395 (1.9682379395)
-931.37868916
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1864575446
ExchangeOperator: bisection time: 2.148 s
total exchange = -52.4099432221 (a.u.)
total exchange computation time: 3.4712331295 s
-154.3316831867
Anderson extrapolation: theta=0.2292214412 (0.2292214412)
-931.37869460
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1864575446
ExchangeOperator: bisection time: 2.148 s
total exchange = -52.4098854880 (a.u.)
total exchange computation time: 3.4709818363 s
-154.3321536396
Anderson extrapolation: theta=1.8326301629 (1.8326301629)
-931.37869557
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1864575446
ExchangeOperator: bisection time: 2.146 s
total exchange = -52.4098019924 (a.u.)
total exchange computation time: 3.4699699879 s
-154.3328150013
Anderson extrapolation: theta=0.2803214710 (0.2803214710)
-931.37869654
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1864575446
ExchangeOperator: bisection time: 2.149 s
total exchange = -52.4098003394 (a.u.)
total exchange computation time: 3.4702291489 s
-154.3328078743
Anderson extrapolation: theta=1.2787218283 (1.2787218283)
-931.37869671
237.988781 30.648189 202.549586
-142.367075 489.833921 -805.663312
95.621706 520.482111 -603.113726
802.366067
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0708575581
ExchangeOperator: pair fraction: ispin=0: 0.1864575446
ExchangeOperator: bisection time: 2.148 s
total exchange = -52.4098136573 (a.u.)
total exchange computation time: 3.4724860191 s
679.45491205
-1084.81186907
89.70974150
-388.40513541
-174.91653214
78.89413947
551.60419304
0.00000000
-931.37869673
-8.77742714 -3.94346580 3.64474352
0.00019812 -0.00007915 0.00002919
0.08054426 -0.01319777 -0.00351693
-17.82370075 4.38422835 6.47660827
0.00001261 -0.00037204 -0.00017807
0.00735717 0.01621595 0.01733055
-15.54388506 -0.85810887 0.41301198
-0.00003344 -0.00008641 -0.00033145
-0.01652682 -0.08740745 -0.02442612
3.16786734 -20.60234864 15.52108504
-0.00044770 0.00023824 -0.00019802
0.03743404 0.00452463 0.01808861
7.67812431 16.00267845 -1.30502802
0.00032857 0.00007982 0.00023508
-0.00064686 0.00172566 -0.00529540
-9.89059449 9.47278117 11.06391113
-0.00017272 -0.00024965 -0.00019470
0.00124020 0.01314705 0.00509291
-8.32596156 -0.46376729 -14.30805237
-0.00020344 0.00011029 -0.00019348
0.04528019 0.01704265 0.04563493
-10.79802855 2.36719969 -6.99869367
0.00003748 0.00003257 0.00010590
0.01468578 0.02343200 0.00127555
-0.34396741 -5.74070079 15.33415123
-0.00021903 0.00004665 0.00044310
0.01670811 0.00982638 0.02082540
-25.69521910 -0.72009402 -20.70203935
-0.00029987 -0.00013832 0.00018465
0.01547785 0.03233140 -0.00287461
8.88047027 7.51286771 7.85483663
0.00002081 -0.00001790 -0.00000986
-0.01727940 -0.01624799 -0.00684198
20.81259415 28.65046127 -5.03013833
0.00019757 -0.00033420 -0.00013511
0.01227401 0.00718046 0.00772251
7.72396331 -1.54396435 -7.24965302
0.00000524 -0.00008660 -0.00007746
-0.00826677 -0.01841514 0.00156015
-9.25058881 -3.47210309 13.52634467
0.00005807 0.00004334 0.00023115
-0.02922445 -0.00394060 -0.01693854
-1.26873700 -22.72665885 13.98408030
0.00001994 0.00010745 0.00028142
-0.01106097 0.01129948 0.00786982
-11.04270525 -8.67133967 -8.11498154
0.00009954 -0.00011678 0.00028351
0.02255949 0.05382400 -0.02610604
-15.90237142 -8.57807203 -15.50506865
-0.00001720 -0.00019261 -0.00005580
-0.00417098 0.00038709 -0.00677444
16.80960058 12.73874149 3.59431814
0.00044361 0.00014014 0.00007274
0.00294109 -0.01030724 0.00851086
20.15613697 -4.59707165 -14.76564087
-0.00020420 -0.00001151 -0.00012444
-0.03448614 -0.04915231 0.01211538
-0.38775364 8.15087669 -14.90892981
0.00027762 -0.00001672 -0.00004651
-0.00639770 0.01155468 0.01820828
0.63870247 -0.59748475 -16.95978228
-0.00012218 0.00040931 -0.00024309
0.03214081 0.00634920 0.01222219
11.88742066 20.94733685 -23.17702534
0.00021851 -0.00035683 -0.00011217
0.01080921 0.00227811 0.00861204
-11.31068878 15.23362528 -16.28705550
-0.00017334 -0.00013231 -0.00011094
0.01038568 -0.00458996 0.02878938
4.57443241 17.63716723 10.69904807
0.00021946 0.00025936 -0.00034862
0.00025897 -0.00009498 -0.00273994
-2.18090042 -11.08295458 -3.52603076
-0.00022785 0.00007170 -0.00013295
0.04155549 -0.01768492 0.00395917
1.29281303 -8.15038263 3.82374512
0.00013970 -0.00000330 0.00027198
-0.04054842 0.02508967 0.00550501
9.59411156 2.04685319 8.26045831
-0.00008455 0.00040719 0.00009505
0.00151070 -0.00699582 -0.00515889
-6.94967852 -9.20407946 -3.06418021
-0.00000290 0.00033501 0.00003119
-0.00584741 0.01760872 -0.01894821
3.86956779 -12.29249055 -13.09398155
-0.00017497 0.00035027 -0.00031454
-0.01194822 -0.01548067 -0.00466202
1.24151390 -4.54672597 -0.89439396
0.00009928 0.00011192 0.00017560
-0.01679044 0.03399058 -0.01976015
17.12404415 4.51242167 27.09280115
0.00040374 0.00012901 -0.00029297
0.01243812 0.02155407 -0.03155751
-9.68212921 6.07149161 -4.36536526
-0.00024524 0.00003263 0.00039569
-0.01649192 -0.02092409 0.02748753
-4.82277014 14.93649540 -9.30089467
0.00031142 0.00000783 -0.00019594
0.00105654 -0.00080215 0.01101027
2.96535251 12.20930759 -6.88979223
-0.00010985 0.00012345 -0.00014256
-0.00580375 0.00174975 0.00638611
-4.13884212 11.94721656 -13.73752789
0.00022795 0.00018366 0.00007584
0.02520626 -0.01602091 -0.00294533
3.85973372 7.29408274 17.32016533
-0.00000506 0.00015917 -0.00018480
-0.00307465 -0.00438897 -0.00843103
-15.43984927 8.67700561 -9.11115342
-0.00054572 -0.00011970 -0.00010518
-0.04708411 0.00510010 0.01138366
3.75749175 9.21324293 0.55957942
0.00001587 -0.00014021 0.00013944
-0.03278053 0.00658776 0.00569001
15.85856675 -24.04824178 -26.68111426
0.00009016 -0.00004764 0.00006095
0.00848605 -0.00500300 -0.00172779
5.69170087 4.16442885 0.22983717
-0.00010742 0.00000655 0.00027478
0.01249641 -0.01757059 -0.00351898
17.25456526 -5.28980995 0.24479253
0.00016008 -0.00012621 -0.00034035
-0.00765066 -0.02281088 0.01306056
-4.74410521 2.41306496 -2.42696629
-0.00015971 -0.00010707 0.00032345
-0.03471278 0.01401697 -0.00049649
0.79276002 2.52221664 -11.92552688
-0.00014618 0.00015479 0.00005944
-0.01394433 -0.03913213 0.04063250
15.40261402 8.84029557 -7.30914685
-0.00006243 -0.00004868 0.00035171
0.02242677 0.02084198 0.00679972
-6.46410967 1.01946469 12.80503688
-0.00034373 0.00020284 0.00018450
-0.02596899 0.01120154 0.03082991
-3.56493643 -16.20899330 12.89708358
-0.00018529 -0.00020317 0.00004264
-0.00325823 -0.00493631 -0.01861686
7.03477077 -6.79553414 -6.28554183
-0.00022908 0.00032667 -0.00031079
-0.02187442 0.00530804 0.02617421
-1.11064594 -11.63673048 1.36515779
0.00001542 -0.00015402 -0.00037159
-0.00027157 -0.01504494 -0.01532797
-16.08316543 -1.78629730 5.43237514
0.00028320 -0.00009936 0.00050525
-0.01270339 -0.00696951 0.00960759
-9.21359504 3.45305646 -22.13728152
-0.00019947 -0.00033836 -0.00037890
0.01009424 0.00160945 0.02421088
2.01199680 1.12609355 -1.35217002
-0.00038689 -0.00021132 -0.00006972
0.06025127 0.03829387 -0.04401062
12.51920000 8.47577409 3.76719760
0.00000715 -0.00025964 -0.00015272
0.01615857 -0.02000509 0.02676654
-7.09626896 -4.48617606 2.71348942
0.00040331 -0.00044868 0.00114235
-0.04493677 0.02067146 0.01030239
-10.02150029 -3.87780665 2.38152404
-0.00014197 -0.00023776 0.00060385
-0.01634719 0.01266848 -0.03032201
-16.48165260 5.61856162 6.80745087
0.00107029 -0.00015087 -0.00035896
-0.00681040 -0.00151919 0.00364179
-17.24667836 3.63190691 4.96482263
-0.00025360 0.00043374 -0.00019553
0.00258436 -0.01237925 -0.02113769
-16.17010932 0.78323941 0.55976973
0.00081289 0.00048398 0.00033357
-0.01454307 0.04036405 -0.00066370
-16.91219311 -1.94943086 -0.46989206
0.00103796 -0.00019336 -0.00030703
0.03446039 0.03899078 0.02307795
1.55354065 -21.18021390 14.95676733
-0.00052784 -0.00075385 0.00026111
-0.02396761 0.01186577 -0.00040187
3.39502104 -18.82208692 16.01427936
0.00010403 -0.00019724 0.00045653
-0.01288206 -0.01376011 -0.01154243
8.08852935 14.21092753 -1.21195676
-0.00029074 -0.00022157 -0.00012929
0.00715222 -0.01095365 -0.00192675
7.14288322 16.35495413 0.37856630
-0.00067218 -0.00003556 -0.00083082
-0.00414705 0.00726353 0.00784256
-8.60351151 9.51054357 12.43401313
-0.00034013 -0.00076883 0.00016527
-0.00618455 -0.01673002 -0.00502532
-10.75589774 11.04462498 11.48041960
-0.00086317 0.00042375 -0.00013073
0.00124122 -0.00062925 -0.00160058
-9.89795666 0.30690502 -14.51393010
0.00019425 0.00006633 0.00027143
-0.03977988 0.01437231 -0.00591221
-8.11505479 -1.77111524 -15.44150630
-0.00016162 0.00134322 -0.00074869
-0.00253059 -0.03127348 -0.03680390
-12.07017159 1.15147209 -6.94038415
0.00038327 -0.00020353 0.00027986
-0.02834683 -0.03212754 -0.00077487
-11.25003216 3.68273097 -5.74736959
-0.00036788 0.00065084 0.00039051
0.01817942 -0.00820608 -0.01441064
-1.92174841 -6.37952680 14.71869792
-0.00011618 -0.00048834 0.00019319
-0.01935528 -0.00405937 -0.00680810
-0.43992681 -5.65027686 17.18241822
-0.00010561 -0.00025947 -0.00043630
0.00030152 -0.00519325 -0.01088142
-24.70840675 -0.39096239 -19.15613559
0.00049008 0.00033886 -0.00125262
-0.00086463 -0.00244393 -0.01641988
-25.62724566 0.83480397 -21.83626478
-0.00034094 -0.00071796 -0.00060120
-0.00757476 -0.02575822 0.01307113
9.56185956 8.33606568 6.39446496
0.00058430 -0.00112225 -0.00095141
0.01272269 0.00304352 -0.00453771
10.01258166 7.91111151 9.22644334
-0.00005002 0.00013837 0.00010042
0.01162156 0.00427058 0.00426510
19.84758885 27.56651225 -3.92654552
-0.00003505 -0.00016825 0.00061218
-0.00467619 -0.00506366 0.00526738
20.34747119 30.44682401 -4.56972811
0.00033763 0.00054633 -0.00054941
0.00017425 -0.00870814 -0.00193262
5.98498715 -0.91219996 -7.17937532
-0.00124032 0.00016056 -0.00059289
0.01085639 0.00092261 -0.00055382
7.55785441 -3.40982397 -7.09879247
0.00077999 0.00020885 0.00023354
-0.00497257 0.01947078 -0.00105336
-8.67281056 -2.20116529 12.31795373
0.00110349 0.00055044 -0.00031706
0.00068872 -0.00636176 0.00472823
-11.13013071 -3.37250532 13.37042834
0.00019036 -0.00089820 0.00061238
0.02600913 0.00655168 0.00717045
-1.06760864 -24.23117443 15.00590027
0.00068935 0.00006672 -0.00063867
-0.00169474 -0.00990981 -0.00554049
-3.03528839 -22.14859859 14.17586549
0.00030708 -0.00033294 0.00072844
0.01081366 -0.00600017 -0.00720080
-12.65471411 -8.22187978 -7.20558213
-0.00037824 -0.00025133 -0.00075115
0.01639225 0.00586426 -0.00745581
-10.29442855 -6.96332303 -8.90374173
-0.00008433 0.00134357 0.00111367
-0.03065639 -0.05889842 0.03348867
-16.17381529 -10.32954480 -15.92161039
0.00037431 0.00081501 0.00062718
0.00140589 -0.00377781 0.00838386
-14.23979035 -8.12987444 -16.20995619
-0.00012200 0.00021390 0.00007130
-0.00007002 0.00384870 0.00254970
17.33747521 12.91483878 5.37031598
0.00033247 0.00009335 -0.00005602
-0.00776263 -0.00683824 -0.00368928
17.15056818 14.32149079 2.80592051
-0.00052216 0.00067689 0.00000669
0.00353697 0.01122051 -0.00957371
18.34908699 -4.40616554 -15.00479731
-0.00038719 -0.00065579 0.00024053
0.00610839 -0.00689087 0.00479923
20.74305184 -3.07173413 -15.35863794
-0.00055339 0.00002812 0.00005591
0.03248938 0.05033414 -0.02071506
-0.79275681 6.88794045 -13.67023634
0.00165899 -0.00095462 -0.00048354
-0.00519005 -0.00528062 0.00969743
-0.12126423 7.17642091 -16.37042956
-0.00084416 0.00052956 -0.00051304
0.00329649 -0.01086626 -0.02713590
0.73435396 0.62431599 -15.54963091
-0.00028327 0.00028927 0.00000605
-0.00266006 -0.00532412 -0.00748016
2.49263651 -1.05356882 -17.14552354
-0.00097312 0.00006510 0.00074995
-0.02966551 0.00564708 0.00320878
12.49484369 22.49327874 -22.24148866
0.00096688 0.00061733 0.00064842
-0.02292747 -0.01877523 -0.01897249
10.04212919 20.96000951 -23.31753594
0.00099443 -0.00054683 -0.00036271
0.00981921 0.00812046 0.00607478
-9.93901025 16.06314915 -17.34735504
0.00003915 0.00018370 -0.00099416
-0.01577075 -0.00465876 0.01560512
-10.82080592 15.58878952 -14.51631723
-0.00016721 0.00072694 -0.00015283
-0.00820641 -0.00587972 -0.02669650
3.30284575 18.73249900 11.35802616
0.00149730 -0.00066968 -0.00045465
-0.00915308 0.00034348 0.01190055
4.74214953 18.33475919 9.02913092
-0.00032254 0.00040891 -0.00001095
0.00875039 -0.00569384 -0.01181774
-3.87987167 -10.50349032 -3.37326906
0.00126305 -0.00060989 0.00013774
-0.01554343 0.00826934 0.00948714
-1.39539993 -11.44005860 -1.80854384
-0.00081372 0.00032762 0.00110420
-0.02484171 0.01256326 -0.01511446
0.10000059 -7.37265173 5.04831110
-0.00016210 -0.00044766 0.00027263
0.00610373 -0.00122022 -0.01690980
2.66808565 -8.42905114 4.90264812
0.00033544 -0.00018299 0.00092340
0.04007799 -0.00677557 0.01671822
7.88384500 1.87479544 8.82485199
-0.00042747 -0.00007371 -0.00118196
-0.00460637 0.00329059 0.00436584
9.74290497 3.78816602 7.72681504
-0.00010626 0.00000869 0.00126550
-0.00304903 0.00962119 0.00108865
-8.05515933 -8.50628504 -4.42385675
-0.00087740 0.00039417 0.00019021
0.00730067 -0.01691669 0.02526347
-7.91057349 -10.22980554 -1.90118975
0.00012503 0.00044113 -0.00092830
-0.01365860 0.00187403 -0.00615587
4.69521613 -13.55655326 -12.06102716
0.00010218 -0.00021364 0.00008928
0.00561444 0.00311647 0.00033368
2.41677627 -13.20059752 -13.82885907
-0.00010756 0.00022467 -0.00014957
0.00263312 0.01057879 0.00117393
1.29194809 -5.87029361 0.25346783
0.00002038 0.00049939 0.00036742
0.01086571 -0.03902109 0.02803253
-0.28703386 -3.73417216 -0.26147993
-0.00012761 -0.00047753 -0.00014544
0.00520501 0.00403379 -0.00704114
17.43656191 3.32942132 25.74965120
-0.00015684 -0.00028144 -0.00035311
0.00016081 -0.00038384 -0.00289405
16.69454420 3.47203008 28.43568722
-0.00007340 0.00012878 0.00067530
-0.01309964 -0.02349190 0.03384452
-10.83241660 7.23557478 -3.58648265
0.00089808 -0.00000901 0.00039383
-0.00062586 0.02082003 -0.00065555
-8.29991918 6.86884548 -5.23355502
-0.00036994 -0.00031356 0.00090960
0.00454307 0.01980254 -0.00939890
-6.33618183 15.91505021 -9.11332450
0.00021924 -0.00009705 0.00019188
-0.00293009 0.00581518 0.00026850
-4.74864808 14.41514609 -11.04277628
0.00052200 0.00011637 -0.00031049
0.00574621 -0.00592456 -0.00691723
2.72392785 10.93953146 -5.57184415
-0.00013149 0.00001037 0.00075361
0.00382483 0.00232149 -0.01014667
1.38864864 13.15411050 -6.99973557
-0.00063851 0.00073695 -0.00010815
0.00230554 0.00404137 0.00394116
-2.44502858 11.13315973 -14.22861834
0.00004343 0.00018885 0.00028372
-0.04245968 0.00545116 0.01605523
-5.30400441 10.62269064 -13.14056134
0.00003734 0.00019233 0.00036246
0.01564967 0.00770082 -0.00972473
4.52557064 7.54810900 18.97566260
0.00071973 -0.00085025 0.00007980
0.00930538 0.00269876 0.01653952
2.10173592 6.85073288 17.62569853
-0.00000129 -0.00057314 0.00073609
-0.01060958 0.00024227 -0.00456546
-13.69565144 8.60205877 -8.99134191
0.00035794 -0.00071817 0.00026810
0.04387373 -0.00674730 0.00743668
-16.21781377 8.45445335 -7.42457694
0.00104058 0.00003161 0.00016024
0.00869872 -0.00331514 -0.01466252
5.00384956 10.46202261 0.64167686
0.00092017 0.00069086 0.00072511
0.04750627 0.01155214 -0.00576051
2.36951863 10.35547283 0.98280494
-0.00056831 0.00086664 -0.00099716
-0.00698416 -0.02808381 -0.00168815
14.38020738 -23.76289670 -25.62550155
0.00021962 0.00009090 -0.00004006
-0.00822584 -0.00087536 0.00591855
15.15076780 -24.56873014 -28.27846841
0.00019282 -0.00168581 -0.00061134
-0.00359366 -0.00032703 -0.00057295
4.13388307 3.61171797 -0.55396958
-0.00141955 0.00075912 0.00096575
-0.00769636 0.00168955 0.00351730
5.42188637 5.77495958 0.95902817
0.00099878 -0.00058016 0.00088574
-0.00746497 0.01967655 0.00471484
17.62395447 -3.70546021 -0.49838124
0.00109858 -0.00022075 0.00012782
0.00312900 0.02317944 -0.00193026
16.18829458 -6.14590089 -0.95758520
0.00000439 0.00156285 -0.00002856
-0.00063845 -0.00829093 -0.00747477
-6.58233643 2.85994895 -1.77330891
-0.00072445 0.00010765 0.00010585
0.05206590 -0.01519016 -0.01530433
-4.95593282 1.25542586 -3.90635437
0.00036534 0.00048305 0.00012518
-0.00552910 0.00910341 0.02532729
2.50014029 2.85500000 -11.45235155
-0.00032557 0.00017288 -0.00114745
0.01329032 0.00937889 -0.00801264
0.34513360 1.32384757 -10.42647179
0.00038018 -0.00039062 -0.00116901
-0.00377478 0.02783152 -0.04622094
17.08922473 8.07520128 -7.79600252
0.00015172 -0.00083152 -0.00080011
-0.01661452 -0.00513872 -0.00705006
15.80036958 10.57060714 -6.79972009
-0.00146272 0.00048456 0.00112304
-0.00443858 -0.01087281 0.00037177
-7.10402130 0.70672989 11.14179787
-0.00115121 0.00103634 0.00000181
0.00060011 0.00091691 -0.01792027
-8.07834485 1.43389756 13.86543829
0.00031410 -0.00088984 0.00010797
0.02756725 0.00120271 -0.01656896
-2.27851129 -16.71990255 14.15360592
-0.00103483 0.00018712 0.00018618
-0.01689225 -0.00152903 -0.00720783
-4.77713933 -17.53186321 12.35549189
0.00084079 0.00077462 0.00046573
0.02224538 0.00521447 0.01619344
6.94061126 -6.15264916 -4.48573017
0.00094200 0.00056979 0.00000405
0.00861026 -0.01034231 -0.01582751
5.48340177 -7.85815019 -6.34394103
0.00019423 0.00025185 -0.00072054
0.00514026 0.00462533 0.00086812
-2.76794263 -11.46479806 2.07143089
-0.00013746 -0.00006655 -0.00053386
-0.01963248 -0.00126854 0.00536416
-0.34996191 -10.13446492 2.03888137
-0.00028564 -0.00017009 -0.00112690
0.01102555 0.01215397 0.01088555
-14.69399083 -0.82183460 6.09903618
0.00049461 0.00076202 0.00112444
0.00342041 0.00286214 -0.00364406
-15.83972133 -1.89443206 3.61019616
0.00050766 0.00016964 -0.00023598
0.00657484 0.00632786 -0.00437565
-9.53465753 4.59604864 -23.53248725
-0.00005288 -0.00022641 -0.00087902
-0.00445629 0.00865627 -0.00521763
-8.98104483 4.39744590 -20.55779770
0.00007105 0.00045642 0.00038957
-0.00228973 0.00052189 -0.01406640
2.15423117 0.97474271 -3.22126340
0.00066716 -0.00092177 -0.00082482
-0.01368239 -0.00758761 0.02245410
0.70050227 0.40658569 -0.50320236
0.00002157 0.00002372 0.00018870
-0.04973420 -0.02830974 0.01467632
14.08441788 9.32907135 3.42198566
0.00052736 0.00007766 -0.00068391
-0.00156874 0.00592876 0.00056600
11.38804746 8.83705265 2.45196357
0.00085463 -0.00051323 0.00000190
-0.01802784 0.01476176 -0.03042672
5.40510436 -9.24882650 -10.55996940
-0.00007689 -0.00016416 0.00002113
0.00060794 0.00752320 -0.01028930
-12.99470567 10.40603353 21.26410012
0.00008925 -0.00003245 0.00010423
0.00701610 -0.00106800 -0.00344143
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06734275
0.31135399
414.86357705
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1860248783
ExchangeOperator: bisection time: 2.239 s
total exchange = -52.4074723314 (a.u.)
total exchange computation time: 3.3829648495 s
-154.2951832971
-931.37710373
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1860248783
ExchangeOperator: bisection time: 2.241 s
total exchange = -52.4067812446 (a.u.)
total exchange computation time: 3.3848369122 s
-154.3012031120
Anderson extrapolation: theta=1.3505374975 (1.3505374975)
-931.37734442
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1860248783
ExchangeOperator: bisection time: 2.237 s
total exchange = -52.4057513719 (a.u.)
total exchange computation time: 3.3829729557 s
-154.3100158857
Anderson extrapolation: theta=0.0550807510 (0.0550807510)
-931.37748852
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1860248783
ExchangeOperator: bisection time: 2.239 s
total exchange = -52.4056192465 (a.u.)
total exchange computation time: 3.3820979595 s
-154.3111054067
Anderson extrapolation: theta=2.0157881412 (2.0000000000)
-931.37749432
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1860248783
ExchangeOperator: bisection time: 2.237 s
total exchange = -52.4053349121 (a.u.)
total exchange computation time: 3.3821578026 s
-154.3134318026
Anderson extrapolation: theta=0.2420383265 (0.2420383265)
-931.37750063
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1860248783
ExchangeOperator: bisection time: 2.238 s
total exchange = -52.4052634032 (a.u.)
total exchange computation time: 3.3826611042 s
-154.3139973087
Anderson extrapolation: theta=1.7479472836 (1.7479472836)
-931.37750184
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1860248783
ExchangeOperator: bisection time: 2.240 s
total exchange = -52.4051600148 (a.u.)
total exchange computation time: 3.3821220398 s
-154.3147855543
Anderson extrapolation: theta=0.2863884910 (0.2863884910)
-931.37750311
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1860248783
ExchangeOperator: bisection time: 2.240 s
total exchange = -52.4051521537 (a.u.)
total exchange computation time: 3.3818509579 s
-154.3148152033
Anderson extrapolation: theta=1.2299356557 (1.2299356557)
-931.37750339
238.064356 30.683814 202.564326
-142.348792 489.854248 -805.684321
95.715564 520.538062 -603.119995
802.418265
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1860248783
ExchangeOperator: bisection time: 2.240 s
total exchange = -52.4051585672 (a.u.)
total exchange computation time: 3.3837969303 s
679.39347971
-1084.67107523
89.71121110
-388.50032305
-174.90563753
78.81686637
551.60419304
0.00000000
-931.37750356
-8.77414458 -3.94470398 3.64516788
0.00023944 -0.00008594 0.00002805
0.08013505 -0.01321819 -0.00092318
-17.82348318 4.37871025 6.47400412
0.00001737 -0.00036237 -0.00016820
0.01115040 0.02140909 0.02103036
-15.54445038 -0.85974222 0.40794602
-0.00004127 -0.00013013 -0.00034333
-0.01392687 -0.08258599 -0.02177051
3.16129617 -20.59875755 15.51818451
-0.00042877 0.00023981 -0.00018897
0.03618134 0.00158707 0.01710479
7.68305029 16.00388235 -1.30152218
0.00032877 0.00008013 0.00023082
0.00142848 -0.00051236 -0.01128063
-9.89318045 9.46908709 11.06101022
-0.00017281 -0.00024168 -0.00019169
-0.00160425 0.01784932 0.00662975
-8.32883850 -0.46204721 -14.31077850
-0.00017968 0.00011953 -0.00016911
0.04712526 0.01888479 0.04912761
-10.79740966 2.36777859 -6.99710031
0.00004472 0.00004543 0.00010728
0.01345081 0.02657430 0.00411702
-0.34718838 -5.73996312 15.34087801
-0.00021077 0.00005143 0.00045194
0.01541195 0.00874314 0.01355108
-25.69965739 -0.72204406 -20.69928067
-0.00029250 -0.00012193 0.00018216
0.01315201 0.03140482 -0.00679912
8.88071574 7.51253656 7.85466237
0.00001225 -0.00002586 -0.00001413
-0.01599706 -0.01471016 -0.00975250
20.81560506 28.64547602 -5.03213513
0.00020318 -0.00033022 -0.00013044
0.00952144 0.00827152 0.01042279
7.72401006 -1.54533437 -7.25080895
-0.00000077 -0.00009464 -0.00007665
-0.01513035 -0.01286695 0.00159900
-9.24983048 -3.47146817 13.52974653
0.00004425 0.00004217 0.00022154
-0.02450563 -0.00062065 -0.02042959
-1.26848053 -22.72500347 13.98833202
0.00001484 0.00011364 0.00028496
-0.00878200 0.01274832 0.00588330
-11.04112511 -8.67288378 -8.11082962
0.00011133 -0.00008839 0.00026991
0.02327287 0.05656950 -0.02677594
-15.90264552 -8.58095972 -15.50593180
-0.00001909 -0.00019007 -0.00005869
-0.00317914 0.00950833 -0.00445346
16.81626609 12.74080385 3.59544211
0.00044517 0.00013539 0.00007648
0.00313741 -0.00816518 0.00601666
20.15294095 -4.59743390 -14.76746072
-0.00022195 -0.00003686 -0.00011819
-0.03455974 -0.04944148 0.01219050
-0.38361406 8.15067048 -14.90955719
0.00027425 -0.00001105 -0.00003702
-0.00670286 0.01047377 0.01867640
0.63699374 -0.59132060 -16.96338155
-0.00010681 0.00041293 -0.00023643
0.02763220 0.00770702 0.01369438
11.89074007 20.94199318 -23.17867464
0.00022617 -0.00035435 -0.00010676
0.01896097 0.00738120 0.01239951
-11.31324889 15.23162291 -16.28860853
-0.00016742 -0.00013427 -0.00009664
0.01266436 -0.00301868 0.02680638
4.57772538 17.64105726 10.69380820
0.00022177 0.00025721 -0.00035082
0.00872120 -0.00825905 -0.00581430
-2.18415787 -11.08194734 -3.52800970
-0.00020314 0.00006141 -0.00013010
0.05452558 -0.02233377 0.00711063
1.29475213 -8.15033541 3.82784602
0.00012002 0.00000923 0.00027563
-0.03598321 0.02365016 0.00869748
9.59284917 2.05293411 8.26186418
-0.00008390 0.00040228 0.00009285
0.00099327 -0.01210984 -0.00341384
-6.94974451 -9.19898638 -3.06378541
-0.00000582 0.00034504 0.00002003
-0.00551660 0.02137320 -0.02444216
3.86689717 -12.28729614 -13.09871770
-0.00018034 0.00034139 -0.00031605
-0.00892481 -0.01906993 -0.00118243
1.24293827 -4.54491607 -0.89183621
0.00009084 0.00012926 0.00016526
-0.01601451 0.03344874 -0.02042767
17.13014820 4.51443991 27.08828490
0.00040964 0.00013851 -0.00030769
0.01050584 0.01541833 -0.02568654
-9.68587145 6.07190039 -4.35932385
-0.00025345 0.00002071 0.00040960
-0.01542037 -0.02545417 0.02659532
-4.81809471 14.93660971 -9.30379136
0.00031193 0.00000746 -0.00019037
0.00090013 -0.00061766 0.01064772
2.96368244 12.21116602 -6.89190593
-0.00011409 0.00012423 -0.00013851
-0.01068350 0.00131691 0.00933189
-4.13532559 11.94990968 -13.73640171
0.00024039 0.00017536 0.00007451
0.02317349 -0.01626759 -0.00221259
3.85964593 7.29645336 17.31736079
-0.00000691 0.00015684 -0.00018808
-0.00412229 -0.00466594 -0.00431552
-15.44821664 8.67522974 -9.11268715
-0.00056662 -0.00011713 -0.00009952
-0.03421324 0.00492182 0.01061435
3.75760340 9.21116524 0.56169297
0.00000018 -0.00013388 0.00014270
-0.02823996 0.01800624 0.00697350
15.85995185 -24.04897573 -26.68020671
0.00009417 -0.00005085 0.00005821
0.00713499 -0.00748134 -0.00889825
5.69013784 4.16445925 0.23394536
-0.00010195 -0.00000364 0.00027208
0.00874254 -0.02204090 -0.00699879
17.25693698 -5.29179111 0.23973762
0.00015716 -0.00013717 -0.00033254
-0.00369737 -0.01979127 0.01732137
-4.74663472 2.41151299 -2.42211649
-0.00017775 -0.00009947 0.00032358
-0.03544989 0.01553338 0.00100754
0.79051353 2.52438759 -11.92447855
-0.00015408 0.00013493 0.00007920
-0.01676039 -0.03810145 0.03621597
15.40176408 8.83964573 -7.30384500
-0.00005054 -0.00003793 0.00035509
0.02379292 0.02098476 0.00635510
-6.46936578 1.02255052 12.80792332
-0.00035675 0.00020804 0.00019909
-0.02465679 0.00903064 0.02591573
-3.56772830 -16.21205988 12.89765144
-0.00018610 -0.00020362 0.00003321
0.00007841 0.00319709 -0.01805897
7.03125016 -6.79061358 -6.29010264
-0.00023960 0.00032980 -0.00029713
-0.01903297 0.00687060 0.02692798
-1.11041563 -11.63909877 1.35952485
0.00001469 -0.00016230 -0.00037972
-0.00259361 -0.01715360 -0.01629747
-16.07896641 -1.78781457 5.43999096
0.00027808 -0.00010213 0.00050958
-0.00720274 -0.00379814 0.00723588
-9.21654820 3.44798730 -22.14287171
-0.00019416 -0.00033618 -0.00036541
0.01057843 0.00686203 0.02826551
2.00642587 1.12307149 -1.35338559
-0.00035533 -0.00019137 -0.00009374
0.06249064 0.03927382 -0.04941227
12.51936952 8.47180235 3.76501005
0.00001768 -0.00026949 -0.00013824
0.02479798 -0.01830947 0.02953915
-7.09159626 -4.49227278 2.73094036
0.00021990 -0.00036383 0.00118093
-0.04484490 0.02086011 0.00858122
-10.02413079 -3.88098490 2.38965268
-0.00020868 -0.00018599 0.00047738
-0.01630893 0.01267255 -0.03158714
-16.46580697 5.61625200 6.80217801
0.00103357 -0.00016410 -0.00034501
-0.01116109 -0.00495867 0.00318757
-17.25040314 3.63803374 4.96124192
-0.00024175 0.00037966 -0.00028799
0.00321475 -0.01409720 -0.02412001
-16.15836159 0.79173601 0.56475297
0.00075483 0.00064152 0.00032926
-0.01387702 0.03675349 -0.00144778
-16.89556780 -1.95113648 -0.47379034
0.00117186 -0.00003602 -0.00021577
0.03108882 0.03802777 0.02159469
1.54488865 -21.19115799 14.96067165
-0.00062268 -0.00070237 0.00026086
-0.02246068 0.01333151 0.00028016
3.39618675 -18.82546720 16.02077356
0.00005021 -0.00025019 0.00040961
-0.01346159 -0.01215659 -0.01142485
8.08438734 14.20726834 -1.21395518
-0.00026198 -0.00026382 -0.00013667
0.00692815 -0.00973038 -0.00168437
7.13267346 16.35464333 0.36634437
-0.00069285 -0.00000385 -0.00078749
-0.00597262 0.00825635 0.01336617
-8.60880301 9.49849840 12.43633815
-0.00036649 -0.00083561 0.00014440
-0.00671937 -0.01595681 -0.00518742
-10.76880718 11.05096195 11.47840967
-0.00085041 0.00041031 -0.00013912
0.00500155 -0.00594793 -0.00250729
-9.89626189 0.30834037 -14.51003985
0.00002609 0.00012822 0.00024671
-0.04253477 0.01592542 -0.00618911
-8.11755662 -1.75192533 -15.45386445
-0.00017026 0.00120862 -0.00090560
-0.00170171 -0.03461302 -0.04000591
-12.06529119 1.14743465 -6.93620996
0.00026732 -0.00033430 0.00027713
-0.02841354 -0.03188716 -0.00056405
-11.25499325 3.69224216 -5.74195360
-0.00029189 0.00061044 0.00032571
0.01901570 -0.01156949 -0.01730644
-1.92408415 -6.38697632 14.72138720
-0.00019212 -0.00050343 0.00016645
-0.01782231 -0.00332536 -0.00628311
-0.44150171 -5.65432805 17.17554032
-0.00010513 -0.00027992 -0.00046731
-0.00006804 -0.00481654 -0.00430069
-24.70108202 -0.38595433 -19.17542807
0.00049124 0.00032991 -0.00131077
0.00143260 -0.00193719 -0.01204639
-25.63259186 0.82324519 -21.84488221
-0.00037218 -0.00082198 -0.00054830
-0.00771805 -0.02516026 0.01282206
9.57101388 8.31932526 6.38005477
0.00063377 -0.00111292 -0.00096258
0.01149243 0.00151942 -0.00092837
10.01218743 7.91331786 9.22808029
-0.00000279 0.00015602 0.00011630
0.01149946 0.00436999 0.00350787
19.84691976 27.56383329 -3.91720140
-0.00005020 -0.00018384 0.00062908
-0.00273872 -0.00256492 0.00300534
20.35254093 30.45475213 -4.57802849
0.00033942 0.00050400 -0.00055783
0.00070403 -0.01201304 -0.00218952
5.96671495 -0.90976323 -7.18828571
-0.00118025 0.00015796 -0.00059520
0.01855158 -0.00219552 -0.00057525
7.56940194 -3.40609463 -7.09532166
0.00075750 0.00028416 0.00022941
-0.00603677 0.01739644 -0.00096641
-8.65623706 -2.19310365 12.31334274
0.00109933 0.00051480 -0.00028855
-0.00272588 -0.01108529 0.00922888
-11.12647832 -3.38577760 13.37983370
0.00029402 -0.00086849 0.00063957
0.02473358 0.00799254 0.00614132
-1.05732037 -24.23047733 14.99615038
0.00068224 0.00002103 -0.00065776
-0.00178558 -0.01245369 -0.00380328
-3.03035081 -22.15377662 14.18657150
0.00034694 -0.00035604 0.00069973
0.00869682 -0.00530506 -0.00685328
-12.65988541 -8.22547002 -7.21707780
-0.00031252 -0.00022776 -0.00077964
0.01577894 0.00567303 -0.00649355
-10.29663292 -6.94497430 -8.88601046
-0.00020938 0.00109748 0.00124990
-0.03055665 -0.06156688 0.03319805
-16.16815755 -10.31743547 -15.91194574
0.00037733 0.00078076 0.00065688
0.00007451 -0.01298426 0.00615296
-14.24162252 -8.12654802 -16.20880857
-0.00012156 0.00022969 0.00008147
0.00028368 0.00388346 0.00242668
17.34222444 12.91602946 5.36936257
0.00030152 0.00006597 -0.00006898
-0.00738989 -0.00656426 -0.00265483
17.14284423 14.33198791 2.80572743
-0.00050850 0.00071729 -0.00002987
0.00314990 0.00855758 -0.00832251
18.34346630 -4.41621355 -15.00104231
-0.00036105 -0.00068327 0.00026005
0.00668650 -0.00656300 0.00475465
20.73574653 -3.06976995 -15.35843412
-0.00042184 0.00023389 -0.00002882
0.03190464 0.05039065 -0.02075826
-0.76803103 6.87345938 -13.67719224
0.00163790 -0.00097493 -0.00044413
-0.00513034 -0.00466338 0.00959070
-0.13382559 7.18403138 -16.37895662
-0.00083085 0.00048595 -0.00062491
0.00322001 -0.01048047 -0.02762709
0.73002344 0.62849195 -15.54976933
-0.00029472 0.00026714 -0.00002554
-0.00294452 -0.00550917 -0.00798326
2.47713065 -1.05241922 -17.13417592
-0.00108451 0.00008566 0.00076056
-0.02485982 0.00441628 0.00198207
12.50864429 22.50196341 -22.23234376
0.00086744 0.00052949 0.00056335
-0.02574742 -0.02422568 -0.02266766
10.05734653 20.95205591 -23.32279037
0.00102355 -0.00051278 -0.00033831
0.00443334 0.00854849 0.00586600
-9.93890626 16.06576194 -17.36178933
-0.00002974 0.00016184 -0.00092495
-0.01795342 -0.00604097 0.01827518
-10.82356548 15.59951352 -14.51942779
-0.00020066 0.00070265 -0.00026279
-0.00816944 -0.00601063 -0.02712844
3.32502480 18.72246430 11.35157103
0.00144140 -0.00065272 -0.00039488
-0.01821175 0.00795982 0.01735681
4.73757959 18.34071832 9.02860454
-0.00028539 0.00038663 -0.00006409
0.00943505 -0.00521142 -0.01419575
-3.86140218 -10.51238521 -3.37091220
0.00117402 -0.00056747 0.00017672
-0.02803979 0.01249491 0.00959488
-1.40836688 -11.43475935 -1.79244397
-0.00091532 0.00037885 0.00103538
-0.02489562 0.01251683 -0.01857361
0.09775617 -7.37940409 5.05188235
-0.00013707 -0.00045235 0.00020370
0.00614929 -0.00107314 -0.01683032
2.67434530 -8.43200361 4.91701139
0.00048949 -0.00020855 0.00098423
0.03533428 -0.00573685 0.01306040
7.87729176 1.87379067 8.80725639
-0.00044658 -0.00006043 -0.00116382
-0.00474621 0.00321077 0.00451569
9.74121763 3.78859124 7.74583093
-0.00011735 0.00005854 0.00126645
-0.00237936 0.01478000 -0.00062581
-8.06809660 -8.50089088 -4.42022941
-0.00084352 0.00032411 0.00029589
0.00928246 -0.01737591 0.02646485
-7.90911659 -10.22313112 -1.91530285
0.00006400 0.00044205 -0.00094497
-0.01621609 -0.00142265 -0.00200423
4.69692088 -13.55966229 -12.05967780
0.00011989 -0.00019307 0.00008437
0.00305296 0.00694968 -0.00273685
2.41524360 -13.19690325 -13.83106663
-0.00009728 0.00026753 -0.00014560
0.00239920 0.01040192 0.00077067
1.29258675 -5.86399847 0.25983810
0.00006568 0.00033875 0.00048297
0.01130816 -0.03961516 0.02853295
-0.28878856 -3.74121153 -0.26387735
-0.00010862 -0.00045895 -0.00017378
0.00409316 0.00506270 -0.00683035
17.43421430 3.32518799 25.74426590
-0.00015686 -0.00028159 -0.00036168
-0.00017318 0.00031170 -0.00130321
16.69304171 3.47324190 28.44685383
-0.00012206 0.00004380 0.00079815
-0.01071803 -0.01810839 0.02629134
-10.81896454 7.23607763 -3.58059525
0.00088730 0.00008348 0.00039653
-0.00465080 0.02445636 0.00197395
-8.30532908 6.86474893 -5.22019908
-0.00034528 -0.00023094 0.00086754
0.00752904 0.02063806 -0.01118607
-6.33298299 15.91377272 -9.11043801
0.00020831 -0.00007438 0.00019208
-0.00242054 0.00527752 -0.00017426
-4.74064207 14.41671009 -11.04764561
0.00054473 0.00009288 -0.00033707
0.00538391 -0.00557370 -0.00609595
2.72207275 10.93975813 -5.56085095
-0.00011481 0.00002646 0.00070488
0.00433741 0.00555583 -0.01370695
1.37914162 13.16528862 -7.00123706
-0.00061965 0.00074766 -0.00009099
0.00692803 0.00120045 0.00445897
-2.44567825 11.13615945 -14.22387051
-0.00012731 0.00020990 0.00034862
-0.04111785 0.00485466 0.01571284
-5.30296477 10.62581157 -13.13542238
0.00010275 0.00022550 0.00032198
0.01636903 0.00853487 -0.01009153
4.53665174 7.53543793 18.97736638
0.00075543 -0.00083991 0.00014098
0.00816803 0.00236284 0.01341017
2.10139139 6.84214328 17.63659998
-0.00004025 -0.00057073 0.00071594
-0.00845839 0.00093713 -0.00529936
-13.68893795 8.59107950 -8.98709253
0.00051689 -0.00074468 0.00029473
0.03393342 -0.00622979 0.00559946
-16.20193859 8.45482599 -7.42262258
0.00107048 0.00001751 0.00010512
0.00593749 -0.00358722 -0.01232042
5.01910790 10.47273946 0.65237705
0.00109574 0.00072083 0.00070113
0.03843623 0.00311991 -0.00598093
2.36077995 10.36761187 0.96779583
-0.00058697 0.00074552 -0.00100622
-0.00215063 -0.03120698 -0.00274651
14.38324968 -23.76156004 -25.62592104
0.00018406 0.00008724 -0.00001584
-0.00918129 -0.00091724 0.00593548
15.15354994 -24.59402737 -28.28765605
0.00018293 -0.00168197 -0.00059891
-0.00124524 0.00220719 0.00665712
4.11235398 3.62315661 -0.53937557
-0.00144299 0.00076749 0.00098360
-0.00377961 0.00240504 0.00521952
5.43663932 5.76686005 0.97245871
0.00096779 -0.00049325 0.00090817
-0.00770483 0.02286968 0.00626755
17.64052908 -3.70806124 -0.49652310
0.00111175 -0.00012535 0.00012070
0.00331856 0.02352173 -0.00155344
16.18834086 -6.12271226 -0.95824265
-0.00000672 0.00152192 -0.00006804
-0.00479846 -0.01174335 -0.01184965
-6.59160774 2.86109823 -1.77219015
-0.00050918 0.00004460 0.00004299
0.05331100 -0.01567250 -0.01546623
-4.95062213 1.26295050 -3.90370058
0.00034188 0.00051791 0.00022588
-0.00595553 0.00796250 0.02396884
2.49566405 2.85788067 -11.46980891
-0.00026445 0.00021232 -0.00117768
0.01662469 0.00992414 -0.00678466
0.35072060 1.31884117 -10.44542334
0.00036369 -0.00027966 -0.00135109
-0.00429826 0.02648258 -0.04290639
17.09099142 8.06257107 -7.80822022
0.00007869 -0.00084651 -0.00082582
-0.01913265 -0.00219874 -0.00553293
15.77829278 10.57754239 -6.78286313
-0.00147883 0.00043338 0.00112183
-0.00344926 -0.01418050 -0.00096290
-7.12127113 0.72230306 11.14127586
-0.00114579 0.00104125 -0.00006643
0.00205408 0.00148842 -0.01548486
-8.07278854 1.42058678 13.86655015
0.00042160 -0.00088215 0.00004482
0.02505175 0.00256162 -0.01434470
-2.29455141 -16.71714257 14.15617782
-0.00109702 0.00017882 0.00016257
-0.01354792 -0.00253700 -0.00435288
-4.76384585 -17.52008413 12.36297413
0.00091788 0.00078187 0.00052559
0.01549412 -0.00166391 0.01310770
6.95500509 -6.14441926 -4.48615449
0.00097474 0.00052506 -0.00006360
0.00741543 -0.01155061 -0.01728781
5.48647273 -7.85423077 -6.35472248
0.00021177 0.00026969 -0.00071467
0.00344351 0.00411113 0.00200617
-2.77060612 -11.46583515 2.06358732
-0.00021593 -0.00007145 -0.00051218
-0.01877980 -0.00113013 0.00525163
-0.35390866 -10.13664383 2.02231146
-0.00023827 -0.00011518 -0.00107972
0.01216202 0.01472390 0.01220734
-14.68646689 -0.81031658 6.11579110
0.00049855 0.00076614 0.00110344
-0.00149199 -0.00084806 -0.00663275
-15.83190497 -1.89169359 3.60652244
0.00053331 0.00019661 -0.00024365
0.00597966 0.00687316 0.00062131
-9.53558721 4.59291780 -23.54583243
-0.00007025 -0.00019462 -0.00089601
-0.00404816 0.00690465 -0.00309782
-8.98004918 4.40430825 -20.55238514
0.00005991 0.00045130 0.00031980
-0.00316784 -0.00303034 -0.02008953
2.16381937 0.96068363 -3.23294757
0.00060963 -0.00095167 -0.00072313
-0.01448256 -0.00704673 0.02731964
0.69930183 0.40607396 -0.49992218
-0.00018391 -0.00009408 0.00024973
-0.05085066 -0.02935532 0.01520113
14.09228018 9.33041785 3.41174441
0.00051167 0.00009634 -0.00067835
-0.00610999 0.00321708 0.00215468
11.40031451 8.82980652 2.45105963
0.00077253 -0.00045085 -0.00013123
-0.02215980 0.01577339 -0.03473831
5.40395267 -9.25126873 -10.55968005
-0.00007668 -0.00016146 0.00001744
0.00053280 0.00755017 -0.01036000
-12.99335471 10.40554496 21.26565755
0.00009088 -0.00003269 0.00010342
0.00702172 -0.00102590 -0.00348127
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06708740
0.31041615
413.61396228
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1860248783
ExchangeOperator: bisection time: 2.420 s
total exchange = -52.4021340855 (a.u.)
total exchange computation time: 3.3850128651 s
-154.2752221507
-931.37634965
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1860248783
ExchangeOperator: bisection time: 2.415 s
total exchange = -52.4014663452 (a.u.)
total exchange computation time: 3.3825430870 s
-154.2810359692
Anderson extrapolation: theta=1.3462499684 (1.3462499684)
-931.37659165
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1860248783
ExchangeOperator: bisection time: 2.415 s
total exchange = -52.4004689343 (a.u.)
total exchange computation time: 3.3818058968 s
-154.2895536890
Anderson extrapolation: theta=0.0529393488 (0.0529393488)
-931.37673555
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1860248783
ExchangeOperator: bisection time: 2.418 s
total exchange = -52.4003398018 (a.u.)
total exchange computation time: 3.3821268082 s
-154.2906101813
Anderson extrapolation: theta=1.9400916033 (1.9400916033)
-931.37674095
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1860248783
ExchangeOperator: bisection time: 2.417 s
total exchange = -52.4000692106 (a.u.)
total exchange computation time: 3.3830461502 s
-154.2928055877
Anderson extrapolation: theta=0.2255774413 (0.2255774413)
-931.37674651
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1860248783
ExchangeOperator: bisection time: 2.417 s
total exchange = -52.4000047328 (a.u.)
total exchange computation time: 3.3840289116 s
-154.2933093921
Anderson extrapolation: theta=1.8315110350 (1.8315110350)
-931.37674752
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1860248783
ExchangeOperator: bisection time: 2.419 s
total exchange = -52.3999074688 (a.u.)
total exchange computation time: 3.3824889660 s
-154.2940410338
Anderson extrapolation: theta=0.2819013008 (0.2819013008)
-931.37674859
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1860248783
ExchangeOperator: bisection time: 2.418 s
total exchange = -52.3999009553 (a.u.)
total exchange computation time: 3.3833990097 s
-154.2940608936
Anderson extrapolation: theta=1.2838418075 (1.2838418075)
-931.37674881
238.062663 30.734008 202.547368
-142.333275 489.873966 -805.707967
95.729388 520.607974 -603.160598
802.495785
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0707122093
ExchangeOperator: pair fraction: ispin=0: 0.1860248783
ExchangeOperator: bisection time: 2.417 s
total exchange = -52.3999079683 (a.u.)
total exchange computation time: 3.3902859688 s
679.31971532
-1084.50397818
89.71344067
-388.61344352
-174.89257522
78.72518090
551.60419304
0.00000000
-931.37674890
-8.77024381 -3.94604412 3.64558511
0.00028005 -0.00009266 0.00002804
0.07774814 -0.01288658 0.00086484
-17.82317959 4.37335732 6.47156221
0.00002405 -0.00035027 -0.00015670
0.01481537 0.02562874 0.02367806
-15.54512314 -0.86201269 0.40271211
-0.00004767 -0.00017068 -0.00035361
-0.01096222 -0.07511109 -0.01820207
3.15500413 -20.59515421 15.51541594
-0.00041065 0.00023970 -0.00018054
0.03429775 -0.00204020 0.01568635
7.68798729 16.00508229 -1.29810336
0.00033004 0.00007924 0.00022362
0.00353497 -0.00295119 -0.01672878
-9.89577879 9.46553071 11.05816046
-0.00017434 -0.00023143 -0.00018795
-0.00435253 0.02203523 0.00790097
-8.33135189 -0.46018144 -14.31312563
-0.00015532 0.00012944 -0.00014341
0.04758344 0.01965626 0.05079488
-10.79668700 2.36856250 -6.99547519
0.00005106 0.00005945 0.00011000
0.01119246 0.02793798 0.00645936
-0.35029046 -5.73915800 15.34770933
-0.00020332 0.00005558 0.00045683
0.01355128 0.00742055 0.00549325
-25.70399423 -0.72375183 -20.69657445
-0.00028641 -0.00010617 0.00017769
0.01055324 0.02986730 -0.01060540
8.88083780 7.51209193 7.85441287
0.00000446 -0.00003299 -0.00001986
-0.01431254 -0.01303359 -0.01256352
20.81868943 28.64055459 -5.03405151
0.00020737 -0.00032579 -0.00012439
0.00679054 0.00898003 0.01308775
7.72394009 -1.54680365 -7.25195255
-0.00001006 -0.00009980 -0.00007586
-0.02099823 -0.00719556 0.00148321
-9.24926120 -3.47083804 13.53299078
0.00003301 0.00004258 0.00021027
-0.01922889 0.00222403 -0.02337263
-1.26829181 -22.72324975 13.99262913
0.00001101 0.00012049 0.00028751
-0.00609461 0.01389174 0.00402688
-11.03936543 -8.67399148 -8.10688426
0.00012340 -0.00005885 0.00025607
0.02367963 0.05832700 -0.02703168
-15.90294415 -8.58377405 -15.50682930
-0.00002048 -0.00018278 -0.00006039
-0.00221268 0.01882582 -0.00216298
16.82295580 12.74280321 3.59661248
0.00044682 0.00013183 0.00007884
0.00326113 -0.00568863 0.00316992
20.14947832 -4.59817758 -14.76918652
-0.00023940 -0.00006173 -0.00011213
-0.03326390 -0.04724550 0.01136232
-0.37952619 8.15054508 -14.91004048
0.00027075 -0.00000620 -0.00002749
-0.00691815 0.00841173 0.01837957
0.63549818 -0.58509700 -16.96687517
-0.00009399 0.00041724 -0.00022905
0.02221424 0.00909168 0.01498399
11.89420576 20.93670646 -23.18022828
0.00023797 -0.00034950 -0.00009955
0.02691260 0.01145344 0.01564209
-11.31571129 15.22959724 -16.28995476
-0.00016046 -0.00013550 -0.00008349
0.01438165 -0.00178215 0.02432493
4.58108563 17.64488358 10.68852347
0.00022845 0.00025088 -0.00035470
0.01722798 -0.01637597 -0.00928713
-2.18699467 -11.08111239 -3.52993378
-0.00017197 0.00004882 -0.00012580
0.06668839 -0.02661272 0.00962357
1.29641363 -8.15010573 3.83201402
0.00010301 0.00002092 0.00028101
-0.03017181 0.02180002 0.01221652
9.59159444 2.05892161 8.26324371
-0.00008359 0.00039482 0.00009151
0.00020962 -0.01692050 -0.00178171
-6.94985305 -9.19372841 -3.06357918
-0.00000849 0.00035688 0.00000626
-0.00488167 0.02468966 -0.02912301
3.86415769 -12.28224885 -13.10346298
-0.00018413 0.00033077 -0.00031579
-0.00584580 -0.02221290 0.00216847
1.24423910 -4.54284813 -0.88943605
0.00008288 0.00014589 0.00015492
-0.01493201 0.03120207 -0.01978171
17.13633331 4.51657709 27.08357048
0.00041447 0.00014475 -0.00031918
0.00828195 0.00882554 -0.01898104
-9.68973266 6.07211280 -4.35307727
-0.00026108 0.00000662 0.00042299
-0.01425440 -0.02930994 0.02547975
-4.81341233 14.93671926 -9.30660590
0.00031232 0.00000719 -0.00018505
0.00064638 -0.00043955 0.01006063
2.96192994 12.21303461 -6.89394764
-0.00012072 0.00012486 -0.00013305
-0.01513487 0.00111497 0.01191147
-4.13163029 11.95247731 -13.73529259
0.00025165 0.00016709 0.00007359
0.02059718 -0.01587031 -0.00137253
3.85952633 7.29878798 17.31452297
-0.00000928 0.00015436 -0.00018911
-0.00507774 -0.00499557 0.00031515
-15.45684796 8.67349183 -9.11413901
-0.00058065 -0.00011467 -0.00009434
-0.02033870 0.00464083 0.00951404
3.75749719 9.20922647 0.56386032
-0.00001298 -0.00012181 0.00014657
-0.02295377 0.02893237 0.00809270
15.86139200 -24.04976739 -26.67936781
0.00009748 -0.00005532 0.00005198
0.00572000 -0.00988885 -0.01536688
5.68864226 4.16431961 0.23799956
-0.00009849 -0.00001587 0.00026771
0.00473424 -0.02550550 -0.00998094
17.25928018 -5.29392495 0.23481634
0.00015631 -0.00014643 -0.00032270
0.00036369 -0.01621884 0.02095587
-4.74943771 2.41008085 -2.41725891
-0.00019596 -0.00009108 0.00032452
-0.03535430 0.01711187 0.00266103
0.78813773 2.52626459 -11.92315082
-0.00016321 0.00011585 0.00009651
-0.01876349 -0.03610667 0.03109113
15.40109769 8.83915777 -7.29849412
-0.00003809 -0.00002717 0.00035826
0.02465005 0.02084858 0.00598057
-6.47481212 1.02570601 12.81100969
-0.00036897 0.00021210 0.00021092
-0.02285199 0.00672548 0.02008803
-3.57051957 -16.21510180 12.89807998
-0.00018506 -0.00019964 0.00002410
0.00399252 0.01224980 -0.01736331
7.02758271 -6.78564001 -6.29445572
-0.00024861 0.00033372 -0.00028320
-0.01597587 0.00836089 0.02722178
-1.11020533 -11.64159938 1.35376618
0.00001269 -0.00017150 -0.00038821
-0.00517025 -0.01862972 -0.01672502
-16.07482295 -1.78936114 5.44766260
0.00027573 -0.00010329 0.00051270
-0.00196195 -0.00071300 0.00488952
-9.21941976 3.44297108 -22.14824383
-0.00018864 -0.00033138 -0.00035008
0.01087927 0.01181101 0.03133262
2.00133703 1.12035241 -1.35498236
-0.00032328 -0.00017127 -0.00011989
0.06211754 0.03887809 -0.05224130
12.51973036 8.46768935 3.76305038
0.00003227 -0.00027842 -0.00012266
0.03193360 -0.01640448 0.03105951
-7.08967194 -4.49709106 2.74891721
0.00003859 -0.00027884 0.00121191
-0.04390935 0.02074440 0.00658686
-10.02776081 -3.88338649 2.39584546
-0.00027302 -0.00013429 0.00034812
-0.01518596 0.01263489 -0.03168464
-16.45064536 5.61363848 6.79710051
0.00098000 -0.00019054 -0.00033276
-0.01506614 -0.00798300 0.00281018
-17.25393089 3.64329660 4.95618299
-0.00022800 0.00031968 -0.00039065
0.00351674 -0.01525982 -0.02613296
-16.14746432 0.80248509 0.56964747
0.00070080 0.00078096 0.00032139
-0.01257043 0.03150282 -0.00240487
-16.87703717 -1.95051152 -0.47636516
0.00129002 0.00011546 -0.00013203
0.02674888 0.03612330 0.01939828
1.53486011 -21.20128503 14.96459315
-0.00071012 -0.00064462 0.00026374
-0.02033806 0.01493682 0.00113119
3.39652744 -18.82959250 16.02656758
-0.00000562 -0.00029574 0.00036357
-0.01387061 -0.01014310 -0.01110928
8.08066993 14.20301281 -1.21605683
-0.00023431 -0.00030037 -0.00014298
0.00661594 -0.00815837 -0.00140610
7.12209767 16.35483854 0.35494160
-0.00072088 0.00003160 -0.00072273
-0.00774863 0.00910044 0.01833651
-8.61450631 9.48547531 12.43834525
-0.00039474 -0.00089911 0.00012315
-0.00710733 -0.01512610 -0.00521751
-10.78141010 11.05693439 11.47624608
-0.00082279 0.00037613 -0.00015093
0.00852057 -0.01078359 -0.00327634
-9.89717392 0.31075174 -14.50652891
-0.00014985 0.00019475 0.00022138
-0.04359127 0.01664169 -0.00621049
-8.12016273 -1.73485672 -15.46867442
-0.00017618 0.00106430 -0.00107239
-0.00119289 -0.03603364 -0.04163488
-12.06215214 1.14144297 -6.93207034
0.00015371 -0.00046143 0.00027521
-0.02719512 -0.03034040 -0.00037605
-11.25878894 3.70104430 -5.73759825
-0.00021308 0.00055732 0.00025021
0.01956350 -0.01443433 -0.01965040
-1.92751216 -6.39462963 14.72369141
-0.00026064 -0.00051500 0.00014230
-0.01571676 -0.00234015 -0.00553853
-0.44308079 -5.65867444 17.16839884
-0.00010620 -0.00029883 -0.00047032
-0.00045328 -0.00443828 0.00282812
-24.69366950 -0.38106499 -19.19545883
0.00050229 0.00032326 -0.00135059
0.00397722 -0.00132152 -0.00744325
-25.63841108 0.81014443 -21.85271382
-0.00040393 -0.00092251 -0.00049707
-0.00782216 -0.02404830 0.01225378
9.58087253 8.30267796 6.36558768
0.00067795 -0.00110988 -0.00095866
0.01013475 -0.00002820 0.00284426
10.01249795 7.91579202 9.22993222
0.00004342 0.00017383 0.00012853
0.01112200 0.00434968 0.00248249
19.84608282 27.56099714 -3.90767309
-0.00005731 -0.00018916 0.00063657
-0.00074165 -0.00004262 0.00065888
20.35765381 30.46194401 -4.58646306
0.00034321 0.00044885 -0.00056705
0.00115263 -0.01498396 -0.00232467
5.94957970 -0.90746105 -7.19723135
-0.00109057 0.00014340 -0.00059738
0.02534803 -0.00493500 -0.00049333
7.58057950 -3.40129914 -7.09191008
0.00073075 0.00034997 0.00022573
-0.00705774 0.01481694 -0.00083612
-8.63983061 -2.18572139 12.30929735
0.00108168 0.00046100 -0.00024268
-0.00591250 -0.01524926 0.01322533
-11.12131009 -3.39856006 13.38961545
0.00039101 -0.00083302 0.00066248
0.02274336 0.00937320 0.00507223
-1.04714153 -24.23054348 14.98616740
0.00067473 -0.00003458 -0.00067014
-0.00188934 -0.01476694 -0.00225459
-3.02488024 -22.15927978 14.19685750
0.00037741 -0.00037612 0.00067263
0.00622072 -0.00452313 -0.00641452
-12.66408968 -8.22871258 -7.22897142
-0.00024976 -0.00020501 -0.00080400
0.01493994 0.00546102 -0.00543035
-10.30071000 -6.93039878 -8.86624461
-0.00033304 0.00084243 0.00138392
-0.02997464 -0.06327932 0.03240277
-16.16249524 -10.30612189 -15.90190401
0.00037499 0.00070853 0.00067753
-0.00122036 -0.02237351 0.00395675
-14.24343730 -8.12298360 -16.20751223
-0.00011974 0.00024557 0.00009109
0.00060763 0.00388714 0.00228569
17.34652076 12.91681785 5.36824645
0.00027222 0.00003984 -0.00007747
-0.00695279 -0.00622585 -0.00150099
17.13531332 14.34300948 2.80502430
-0.00049644 0.00074607 -0.00006091
0.00275102 0.00552975 -0.00687207
18.33825541 -4.42666378 -14.99699592
-0.00033316 -0.00070918 0.00027923
0.00696586 -0.00611768 0.00463561
20.73039653 -3.06471751 -15.35950250
-0.00029482 0.00043461 -0.00011175
0.03027224 0.04786497 -0.01983799
-0.74361967 6.85869251 -13.68356037
0.00161731 -0.00099208 -0.00040604
-0.00494857 -0.00373336 0.00905882
-0.14618961 7.19099955 -16.38917684
-0.00081828 0.00044528 -0.00073636
0.00293326 -0.00943087 -0.02692669
0.72551247 0.63233029 -15.55039700
-0.00030732 0.00024472 -0.00005872
-0.00322283 -0.00546907 -0.00825919
2.46010122 -1.05099897 -17.12270683
-0.00117449 0.00010060 0.00076609
-0.01918639 0.00289535 0.00072582
12.52086692 22.50916339 -22.22458807
0.00075758 0.00042166 0.00046458
-0.02803240 -0.02855710 -0.02568090
10.07283558 20.94462621 -23.32768529
0.00102998 -0.00047715 -0.00031498
-0.00128554 0.00889250 0.00555481
-9.93990258 16.06800450 -17.37510359
-0.00010677 0.00013469 -0.00084553
-0.01975256 -0.00725177 0.02060281
-10.82682572 15.60986914 -14.52420095
-0.00023357 0.00067814 -0.00037285
-0.00793829 -0.00598694 -0.02674739
3.34608772 18.71291742 11.34617964
0.00134865 -0.00060463 -0.00031281
-0.02719004 0.01558231 0.02281737
4.73358789 18.34635806 9.02720815
-0.00024571 0.00036619 -0.00012615
0.00998554 -0.00479193 -0.01618044
-3.84465114 -10.52051434 -3.36796731
0.00103453 -0.00050805 0.00021608
-0.04023848 0.01658918 0.00966888
-1.42285959 -11.42869300 -1.77748240
-0.00101615 0.00042947 0.00095372
-0.02445983 0.01226121 -0.02140191
0.09588861 -7.38622222 5.05442213
-0.00011242 -0.00045606 0.00013588
0.00591675 -0.00074191 -0.01636929
2.68277045 -8.43530767 4.93217509
0.00062225 -0.00022939 0.00102867
0.02965299 -0.00446295 0.00869082
7.87044765 1.87298267 8.78993753
-0.00046566 -0.00004742 -0.00114526
-0.00459233 0.00315390 0.00456709
9.73938447 3.78992227 7.76480846
-0.00012576 0.00012884 0.00126077
-0.00173595 0.01963315 -0.00215128
-8.08046498 -8.49656162 -4.41498014
-0.00080242 0.00025299 0.00040504
0.01083915 -0.01743948 0.02696861
-7.90865351 -10.21654389 -1.92953877
-0.00000718 0.00042958 -0.00094486
-0.01862446 -0.00468329 0.00205755
4.69881274 -13.56234541 -12.05849616
0.00012742 -0.00015744 0.00006733
0.00063657 0.01049294 -0.00560245
2.41385797 -13.19257150 -13.83322696
-0.00008836 0.00030934 -0.00014343
0.00196709 0.01006473 0.00028879
1.29391844 -5.86013119 0.26795705
0.00011245 0.00017922 0.00059769
0.01158542 -0.03847469 0.02762226
-0.29029241 -3.74794063 -0.26669337
-0.00009447 -0.00043629 -0.00020103
0.00283289 0.00603045 -0.00650862
17.43185608 3.32097376 25.73880072
-0.00015826 -0.00027892 -0.00036377
-0.00050960 0.00099374 0.00028362
16.69088236 3.47334393 28.45963173
-0.00016043 -0.00001827 0.00088848
-0.00806424 -0.01227142 0.01792599
-10.80579751 7.23807932 -3.57458688
0.00086065 0.00019008 0.00040969
-0.00839476 0.02772412 0.00447131
-8.31027756 6.86191722 -5.20752870
-0.00030906 -0.00014507 0.00081827
0.01020220 0.02139911 -0.01293288
-6.32993251 15.91281866 -9.10756221
0.00019971 -0.00005408 0.00019038
-0.00178950 0.00466342 -0.00065755
-4.73230610 14.41793251 -11.05288853
0.00056594 0.00007102 -0.00035976
0.00499685 -0.00512525 -0.00500795
2.72048346 10.94032530 -5.55069779
-0.00009621 0.00005490 0.00064242
0.00476860 0.00836418 -0.01686855
1.37005920 13.17654032 -7.00246527
-0.00058262 0.00074714 -0.00007178
0.01119782 -0.00145397 0.00494238
-2.44884787 11.13945669 -14.21815970
-0.00029070 0.00022788 0.00041156
-0.03886217 0.00394905 0.01509363
-5.30092194 10.62945558 -13.13090189
0.00017033 0.00026141 0.00028037
0.01671387 0.00904397 -0.01027883
4.54823342 7.52291168 18.97989202
0.00078585 -0.00083098 0.00018833
0.00672641 0.00200841 0.00976605
2.10052848 6.83361111 17.64717665
-0.00007001 -0.00056533 0.00069274
-0.00610827 0.00170616 -0.00605489
-13.68014481 8.57971843 -8.98249998
0.00063344 -0.00076879 0.00031361
0.02311999 -0.00557312 0.00364386
-16.18569952 8.45497877 -7.42142328
0.00108886 0.00000222 0.00006047
0.00306195 -0.00389843 -0.00953683
5.03672185 10.48364752 0.66271068
0.00123360 0.00071629 0.00067603
0.02904643 -0.00534252 -0.00630400
2.35190947 10.37783835 0.95261841
-0.00058673 0.00061267 -0.00101908
0.00226752 -0.03382473 -0.00354780
14.38572928 -23.76027959 -25.62597677
0.00014520 0.00008327 0.00000805
-0.00984299 -0.00102405 0.00575704
15.15625575 -24.61918934 -28.29643570
0.00018216 -0.00166776 -0.00055797
0.00086831 0.00474991 0.01338388
4.09059325 3.63474265 -0.52446167
-0.00145035 0.00077867 0.00100815
0.00017699 0.00306988 0.00680045
5.45092007 5.76016213 0.98627337
0.00093621 -0.00039523 0.00093615
-0.00775298 0.02511000 0.00742847
17.65730708 -3.70922071 -0.49476018
0.00112522 -0.00003045 0.00011589
0.00327237 0.02293487 -0.00080176
16.18809306 -6.10024333 -0.95962633
-0.00003449 0.00146764 -0.00012499
-0.00879764 -0.01482887 -0.01602793
-6.59761183 2.86128701 -1.77201926
-0.00029056 -0.00001990 -0.00002000
0.05370528 -0.01590066 -0.01536505
-4.94567643 1.27096313 -3.89957783
0.00031669 0.00054745 0.00032002
-0.00637718 0.00649684 0.02211189
2.49220667 2.86136955 -11.48768206
-0.00019103 0.00025363 -0.00120326
0.01931670 0.01029797 -0.00573345
0.35604417 1.31545779 -10.46700446
0.00034478 -0.00017580 -0.00151776
-0.00495459 0.02435962 -0.03868035
17.09158554 8.04980610 -7.82077701
-0.00000369 -0.00085000 -0.00084532
-0.02119365 0.00048831 -0.00401209
15.75600460 10.58360856 -6.76606518
-0.00149064 0.00036960 0.00111535
-0.00233214 -0.01703853 -0.00220853
-7.13839507 0.73796745 11.13980484
-0.00113410 0.00104856 -0.00012377
0.00366915 0.00208647 -0.01257955
-8.06569690 1.40743300 13.86678287
0.00051753 -0.00086881 -0.00000841
0.02190935 0.00396976 -0.01171226
-2.31142182 -16.71453807 14.15848294
-0.00114497 0.00016634 0.00015119
-0.00992730 -0.00357133 -0.00121738
-4.74960281 -17.50840702 12.37125969
0.00096563 0.00075917 0.00057196
0.00787871 -0.00945088 0.00959057
6.96985338 -6.13689725 -4.48763832
0.00100247 0.00047578 -0.00013633
0.00616080 -0.01257271 -0.01831125
5.48975472 -7.85005939 -6.36538098
0.00022207 0.00028518 -0.00070418
0.00160139 0.00346855 0.00312447
-2.77442056 -11.46694150 2.05606560
-0.00028964 -0.00007580 -0.00049137
-0.01730139 -0.00100162 0.00493314
-0.35711004 -10.13792037 2.00648969
-0.00018699 -0.00005105 -0.00102771
0.01293786 0.01666781 0.01325401
-14.67903439 -0.79885054 6.13213952
0.00048306 0.00075541 0.00107058
-0.00608866 -0.00440422 -0.00945418
-15.82372215 -1.88853388 3.60288680
0.00055642 0.00022564 -0.00023135
0.00533482 0.00734003 0.00539619
-9.53676498 4.59021012 -23.55936745
-0.00008580 -0.00017031 -0.00090406
-0.00356379 0.00499245 -0.00084521
-8.97924767 4.41098488 -20.54820380
0.00004537 0.00043253 0.00022716
-0.00394784 -0.00615899 -0.02525818
2.17251999 0.94619268 -3.24295743
0.00054898 -0.00097934 -0.00060360
-0.01520295 -0.00649993 0.03119277
0.69498495 0.40376315 -0.49571038
-0.00038885 -0.00021337 0.00030975
-0.04946686 -0.02903362 0.01417635
14.09976803 9.33196152 3.40163521
0.00047814 0.00010430 -0.00066637
-0.01030145 0.00067840 0.00370767
11.41122346 8.82352708 2.44802673
0.00067587 -0.00038509 -0.00027937
-0.02515600 0.01641679 -0.03777641
5.40280385 -9.25367043 -10.55944633
-0.00007651 -0.00015876 0.00001372
0.00043828 0.00757312 -0.01041352
-12.99197931 10.40505281 21.26720286
0.00009251 -0.00003292 0.00010261
0.00704425 -0.00098902 -0.00351622
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06704718
0.30970172
412.66201594
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1855489454
ExchangeOperator: bisection time: 2.507 s
total exchange = -52.3959559051 (a.u.)
total exchange computation time: 3.3348979950 s
-154.2526147127
-931.37585165
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1855489454
ExchangeOperator: bisection time: 2.509 s
total exchange = -52.3953477380 (a.u.)
total exchange computation time: 3.3354759216 s
-154.2581035168
Anderson extrapolation: theta=1.3407588873 (1.3407588873)
-931.37609482
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1855489454
ExchangeOperator: bisection time: 2.507 s
total exchange = -52.3944462825 (a.u.)
total exchange computation time: 3.3366048336 s
-154.2661171145
Anderson extrapolation: theta=0.0512698818 (0.0512698818)
-931.37623850
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1855489454
ExchangeOperator: bisection time: 2.510 s
total exchange = -52.3943328460 (a.u.)
total exchange computation time: 3.3360130787 s
-154.2671104698
Anderson extrapolation: theta=1.8992612476 (1.8992612476)
-931.37624364
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1855489454
ExchangeOperator: bisection time: 2.509 s
total exchange = -52.3940995560 (a.u.)
total exchange computation time: 3.3343689442 s
-154.2691483147
Anderson extrapolation: theta=0.2213995261 (0.2213995261)
-931.37624875
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1855489454
ExchangeOperator: bisection time: 2.508 s
total exchange = -52.3940452612 (a.u.)
total exchange computation time: 3.3335130215 s
-154.2696176658
Anderson extrapolation: theta=1.8576383437 (1.8576383437)
-931.37624965
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1855489454
ExchangeOperator: bisection time: 2.505 s
total exchange = -52.3939643564 (a.u.)
total exchange computation time: 3.3344409466 s
-154.2703087599
Anderson extrapolation: theta=0.2883561634 (0.2883561634)
-931.37625065
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1855489454
ExchangeOperator: bisection time: 2.508 s
total exchange = -52.3939611311 (a.u.)
total exchange computation time: 3.3336100578 s
-154.2703284115
Anderson extrapolation: theta=1.2956096566 (1.2956096566)
-931.37625086
238.135760 30.775340 202.523253
-142.321407 489.892511 -805.734117
95.814353 520.667852 -603.210865
802.582550
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0705668605
ExchangeOperator: pair fraction: ispin=0: 0.1855489454
ExchangeOperator: bisection time: 2.504 s
total exchange = -52.3939718148 (a.u.)
total exchange computation time: 3.2995970249 s
679.23563969
-1084.31478190
89.71640516
-388.74174122
-174.87780087
78.62097632
551.60419304
0.00000000
-931.37625095
-8.76574323 -3.94748368 3.64600901
0.00031891 -0.00009910 0.00002875
0.07338729 -0.01217760 0.00191133
-17.82276170 4.36820210 6.46930297
0.00003257 -0.00033628 -0.00014415
0.01833338 0.02879449 0.02513792
-15.54588047 -0.86486262 0.39733778
-0.00005239 -0.00020679 -0.00036181
-0.00739826 -0.06532202 -0.01369589
3.14897669 -20.59156661 15.51276839
-0.00039365 0.00023758 -0.00017291
0.03181873 -0.00620857 0.01395729
7.69295156 16.00625946 -1.29481360
0.00033238 0.00007707 0.00021382
0.00554598 -0.00546046 -0.02137124
-9.89841071 9.46214432 11.05537166
-0.00017724 -0.00021917 -0.00018363
-0.00693685 0.02562439 0.00889730
-8.33349818 -0.45816403 -14.31508089
-0.00013112 0.00013947 -0.00011737
0.04654421 0.01935970 0.05047704
-10.79587800 2.36956195 -6.99380023
0.00005599 0.00007372 0.00011379
0.00801330 0.02756445 0.00826858
-0.35328799 -5.73829563 15.35458304
-0.00019694 0.00005901 0.00045746
0.01125211 0.00592345 -0.00306793
-25.70824965 -0.72522919 -20.69395004
-0.00028170 -0.00009135 0.00017132
0.00776829 0.02777218 -0.01414559
8.88084943 7.51154675 7.85406644
-0.00000239 -0.00003925 -0.00002699
-0.01230624 -0.01130943 -0.01516032
20.82182618 28.63570243 -5.03586693
0.00021018 -0.00032107 -0.00011701
0.00414144 0.00937178 0.01564258
7.72370812 -1.54832844 -7.25308471
-0.00002213 -0.00010203 -0.00007516
-0.02591991 -0.00144997 0.00123271
-9.24884026 -3.47019075 13.53605472
0.00002459 0.00004432 0.00019765
-0.01350376 0.00455270 -0.02572225
-1.26815011 -22.72138886 13.99695731
0.00000866 0.00012782 0.00028915
-0.00307583 0.01463457 0.00235567
-11.03742307 -8.67464921 -8.10314744
0.00013561 -0.00002863 0.00024220
0.02380915 0.05918142 -0.02692595
-15.90325985 -8.58644315 -15.50774350
-0.00002139 -0.00017077 -0.00006095
-0.00134771 0.02789572 -0.00001702
16.82967067 12.74475869 3.59780732
0.00044850 0.00012959 0.00007968
0.00329041 -0.00300891 0.00008050
20.14575907 -4.59928574 -14.77082466
-0.00025585 -0.00008489 -0.00010671
-0.03071963 -0.04281310 0.00973232
-0.37549170 8.15048457 -14.91038197
0.00026715 -0.00000263 -0.00001831
-0.00705945 0.00546586 0.01732902
0.63417400 -0.57880325 -16.97025320
-0.00008417 0.00042228 -0.00022107
0.01596005 0.01050182 0.01606138
11.89787907 20.93150810 -23.18166125
0.00025375 -0.00034281 -0.00009081
0.03447514 0.01456254 0.01835395
-11.31806275 15.22755783 -16.29111333
-0.00015276 -0.00013619 -0.00007174
0.01555126 -0.00089258 0.02138204
4.58457878 17.64858356 10.68316709
0.00023937 0.00024051 -0.00036042
0.02526148 -0.02395484 -0.01292302
-2.18931698 -11.08048275 -3.53178362
-0.00013495 0.00003419 -0.00012034
0.07726367 -0.03026725 0.01157962
1.29784237 -8.14970787 3.83627627
0.00008921 0.00003157 0.00028821
-0.02349010 0.01963833 0.01580102
9.59034133 2.06477857 8.26460949
-0.00008376 0.00038505 0.00009097
-0.00086942 -0.02104658 -0.00033268
-6.94999926 -9.18827997 -3.06359763
-0.00001079 0.00037028 -0.00000967
-0.00405853 0.02740983 -0.03283500
3.86137312 -12.27737293 -13.10819153
-0.00018636 0.00031867 -0.00031387
-0.00278807 -0.02483823 0.00530608
1.24542472 -4.54053946 -0.88718849
0.00007555 0.00016096 0.00014524
-0.01358828 0.02739930 -0.01788720
17.14258230 4.51878236 27.07870964
0.00041812 0.00014758 -0.00032712
0.00591380 0.00217055 -0.01190228
-9.69370384 6.07209910 -4.34663412
-0.00026808 -0.00000922 0.00043581
-0.01296680 -0.03228370 0.02435133
-4.80872497 14.93682541 -9.30934284
0.00031257 0.00000701 -0.00018007
0.00031863 -0.00027774 0.00929548
2.96006069 12.21491180 -6.89589746
-0.00012952 0.00012544 -0.00012637
-0.01905284 0.00113253 0.01407778
-4.12777608 11.95492250 -13.73419407
0.00026144 0.00015920 0.00007312
0.01748740 -0.01481294 -0.00043207
3.85936757 7.30108407 17.31168757
-0.00001210 0.00015169 -0.00018767
-0.00590896 -0.00537264 0.00527307
-15.46563618 8.67178972 -9.11551746
-0.00058748 -0.00011237 -0.00008981
-0.00622342 0.00427596 0.00812885
3.75721389 9.20751091 0.56609010
-0.00002333 -0.00010437 0.00015097
-0.01729562 0.03888885 0.00902474
15.86287627 -24.05063534 -26.67864746
0.00010005 -0.00006099 0.00004263
0.00426512 -0.01214319 -0.02095499
5.68718320 4.16398321 0.24197676
-0.00009711 -0.00002958 0.00026198
0.00061368 -0.02780497 -0.01231614
17.26162618 -5.29618391 0.23005673
0.00015751 -0.00015376 -0.00031119
0.00432440 -0.01230099 0.02378798
-4.75251344 2.40878073 -2.41238080
-0.00021391 -0.00008186 0.00032635
-0.03447067 0.01874045 0.00445472
0.78561718 2.52786305 -11.92158323
-0.00017312 0.00009807 0.00011100
-0.01977423 -0.03304042 0.02523937
15.40062148 8.83883066 -7.29309711
-0.00002535 -0.00001656 0.00036122
0.02489279 0.02042046 0.00553604
-6.48043475 1.02891340 12.81425104
-0.00038011 0.00021495 0.00021956
-0.02050204 0.00436263 0.01351007
-3.57328003 -16.21804922 12.89837457
-0.00018188 -0.00019083 0.00001538
0.00837927 0.02203487 -0.01655088
7.02379201 -6.78060194 -6.29859878
-0.00025600 0.00033838 -0.00026925
-0.01277837 0.00976635 0.02706109
-1.11003491 -11.64424372 1.34787847
0.00000933 -0.00018127 -0.00039678
-0.00788101 -0.01937858 -0.01660852
-16.07069463 -1.79091321 5.45537197
0.00027597 -0.00010291 0.00051463
0.00289186 0.00220046 0.00262107
-9.22220739 3.43804598 -22.15337424
-0.00018301 -0.00032413 -0.00033342
0.01100845 0.01635869 0.03347598
1.99672741 1.11793327 -1.35698216
-0.00029207 -0.00015171 -0.00014683
0.05925912 0.03719763 -0.05254728
12.52033755 8.46344980 3.76133032
0.00005006 -0.00028632 -0.00010667
0.03725096 -0.01430697 0.03112125
-7.09043865 -4.50063800 2.76729774
-0.00013703 -0.00019500 0.00123415
-0.04205766 0.02029444 0.00429954
-10.03232151 -3.88501374 2.40009641
-0.00033060 -0.00008283 0.00022076
-0.01299813 0.01255543 -0.03066174
-16.43640710 5.61053571 6.79219524
0.00091151 -0.00022840 -0.00032188
-0.01845711 -0.01054787 0.00251712
-17.25724311 3.64762424 4.94952248
-0.00021376 0.00025618 -0.00049928
0.00345127 -0.01582543 -0.02704332
-16.13733744 0.81516486 0.57439460
0.00065306 0.00089635 0.00030928
-0.01080126 0.02497949 -0.00352279
-16.85686721 -1.94767270 -0.47775114
0.00138834 0.00025709 -0.00005884
0.02138090 0.03320561 0.01642802
1.52358513 -21.21049666 14.96858397
-0.00078790 -0.00058014 0.00027032
-0.01773885 0.01662828 0.00208624
3.39601806 -18.83433944 16.03168075
-0.00006281 -0.00033228 0.00031923
-0.01412180 -0.00774074 -0.01059883
8.07735799 14.19825728 -1.21824465
-0.00020806 -0.00032991 -0.00014808
0.00623220 -0.00630394 -0.00108698
7.11104698 16.35559148 0.34466261
-0.00075583 0.00007008 -0.00063935
-0.00936056 0.00973543 0.02247753
-8.62064520 9.47152520 12.44003259
-0.00042430 -0.00095914 0.00010204
-0.00736347 -0.01425884 -0.00511557
-10.79349082 11.06224595 11.47388170
-0.00078142 0.00032336 -0.00016559
0.01172967 -0.01504788 -0.00389750
-9.90075748 0.31418301 -14.50339859
-0.00032637 0.00026239 0.00019647
-0.04281679 0.01646563 -0.00598269
-8.12284195 -1.71999647 -15.48603602
-0.00018073 0.00091826 -0.00124221
-0.00103746 -0.03545109 -0.04149694
-12.06067977 1.13359184 -6.92795377
0.00004748 -0.00057974 0.00027398
-0.02480568 -0.02757595 -0.00022299
-11.26138566 3.70896181 -5.73444720
-0.00013263 0.00049357 0.00016632
0.01981608 -0.01677142 -0.02141755
-1.93190338 -6.40242636 14.72565618
-0.00031964 -0.00052213 0.00012156
-0.01316136 -0.00114962 -0.00461412
-0.44468764 -5.66329283 17.16143068
-0.00010885 -0.00031622 -0.00044355
-0.00084504 -0.00407804 0.01027545
-24.68601323 -0.37625665 -19.21594575
0.00052410 0.00031929 -0.00137142
0.00669700 -0.00062130 -0.00275409
-25.64470969 0.79556984 -21.85979445
-0.00043602 -0.00101748 -0.00044883
-0.00788882 -0.02243796 0.01136025
9.59135230 8.28602892 6.35129491
0.00071644 -0.00111305 -0.00093929
0.00870660 -0.00152337 0.00663678
10.01349010 7.91853277 9.23193630
0.00008761 0.00019132 0.00013610
0.01051021 0.00421321 0.00122225
19.84520043 27.55815838 -3.89810441
-0.00005628 -0.00018431 0.00063446
0.00124381 0.00242076 -0.00168760
20.36283734 30.46821759 -4.59504010
0.00034867 0.00038230 -0.00057659
0.00151799 -0.01759215 -0.00234283
5.93399795 -0.90546132 -7.20620723
-0.00097523 0.00011851 -0.00059904
0.03111247 -0.00724901 -0.00031728
7.59132452 -3.39559557 -7.08854973
0.00069992 0.00040431 0.00022267
-0.00803387 0.01178532 -0.00066026
-8.62378652 -2.17927369 12.30606249
0.00105157 0.00039146 -0.00018163
-0.00882925 -0.01878981 0.01665673
-11.11474801 -3.41076806 13.39970805
0.00047848 -0.00079206 0.00068095
0.02007457 0.01067281 0.00397224
-1.03707849 -24.23151463 14.97604624
0.00066674 -0.00009896 -0.00067670
-0.00202232 -0.01675090 -0.00095639
-3.01902843 -22.16506014 14.20675037
0.00039713 -0.00039286 0.00064748
0.00343308 -0.00367492 -0.00589565
-12.66737834 -8.23162045 -7.24119786
-0.00019087 -0.00018319 -0.00082384
0.01388907 0.00522272 -0.00428173
-10.30662410 -6.91970140 -8.84449292
-0.00045342 0.00058225 0.00151376
-0.02895231 -0.06407951 0.03115766
-16.15690772 -10.29617950 -15.89161978
0.00036759 0.00059850 0.00068952
-0.00240399 -0.03149011 0.00190952
-14.24521484 -8.11918094 -16.20607580
-0.00011667 0.00026138 0.00010011
0.00089876 0.00385131 0.00212635
17.35039098 12.91722468 5.36703833
0.00024481 0.00001521 -0.00008107
-0.00646526 -0.00583213 -0.00026061
17.12795101 14.35436995 2.80390000
-0.00048597 0.00076201 -0.00008576
0.00237418 0.00227403 -0.00529098
18.33347142 -4.43748894 -14.99266543
-0.00030476 -0.00073305 0.00029778
0.00693887 -0.00556501 0.00444651
20.72690181 -3.05673160 -15.36178667
-0.00017638 0.00062021 -0.00018916
0.02770541 0.04298918 -0.01805464
-0.71951159 6.84369684 -13.68937331
0.00159765 -0.00100486 -0.00037089
-0.00467738 -0.00251802 0.00814404
-0.15837385 7.19738973 -16.40104729
-0.00080721 0.00041012 -0.00084260
0.00248427 -0.00777825 -0.02507907
0.72080398 0.63583344 -15.55153085
-0.00032103 0.00022292 -0.00009254
-0.00349231 -0.00519918 -0.00829811
2.44189593 -1.04940128 -17.11119326
-0.00123964 0.00010874 0.00076649
-0.01270288 0.00108909 -0.00052795
12.53137156 22.51461321 -22.21840627
0.00063944 0.00029826 0.00035484
-0.02979426 -0.03184666 -0.02804083
10.08824585 20.93774149 -23.33223978
0.00101277 -0.00044028 -0.00029309
-0.00713697 0.00915581 0.00515894
-9.94210945 16.06980262 -17.38715519
-0.00019038 0.00010293 -0.00075732
-0.02117598 -0.00829672 0.02257593
-10.83057247 15.61985785 -14.53061335
-0.00026514 0.00065407 -0.00047972
-0.00751661 -0.00579664 -0.02556693
3.36548427 18.70432552 11.34218663
0.00122049 -0.00052633 -0.00020906
-0.03554223 0.02274194 0.02797262
4.73020816 18.35170412 9.02482013
-0.00020410 0.00034730 -0.00019534
0.01038373 -0.00445579 -0.01768956
-3.83036617 -10.52762678 -3.36442985
0.00084751 -0.00043273 0.00025552
-0.05131167 0.02028129 0.00963586
-1.43885135 -11.42187520 -1.76383248
-0.00111426 0.00047865 0.00086174
-0.02356626 0.01180985 -0.02362094
0.09438367 -7.39308583 5.05595870
-0.00008928 -0.00045805 0.00007070
0.00540687 -0.00023534 -0.01553825
2.69301293 -8.43888525 4.94787141
0.00073062 -0.00024469 0.00105436
0.02339176 -0.00302857 0.00388664
7.86332209 1.87236796 8.77289858
-0.00048348 -0.00003457 -0.00112667
-0.00413137 0.00313665 0.00453320
9.73744493 3.79245653 7.78365415
-0.00013171 0.00021785 0.00124949
-0.00117687 0.02393592 -0.00337294
-8.09216908 -8.49330116 -4.40807807
-0.00075586 0.00018242 0.00051483
0.01194946 -0.01710453 0.02676995
-7.90933185 -10.21024368 -1.94364860
-0.00008761 0.00040418 -0.00092867
-0.02074666 -0.00775326 0.00586509
4.70074360 -13.56438545 -12.05765788
0.00012551 -0.00010812 0.00003915
-0.00157479 0.01365023 -0.00819067
2.41259290 -13.18762291 -13.83536959
-0.00008158 0.00034947 -0.00014338
0.00134854 0.00957804 -0.00026399
1.29596016 -5.85862188 0.27776886
0.00016000 0.00002767 0.00070595
0.01169371 -0.03571003 0.02537082
-0.29162263 -3.75430014 -0.26990828
-0.00008569 -0.00040985 -0.00022677
0.00146471 0.00691204 -0.00608871
17.42946663 3.31682043 25.73335293
-0.00016101 -0.00027353 -0.00035946
-0.00083935 0.00164395 0.00182345
16.68822877 3.47269389 28.47350825
-0.00018772 -0.00005630 0.00094399
-0.00529218 -0.00634528 0.00924423
-10.79314496 7.24178011 -3.56830448
0.00081970 0.00030897 0.00043248
-0.01165393 0.03047122 0.00668401
-8.31460078 6.86039697 -5.19565093
-0.00026322 -0.00005700 0.00076275
0.01223712 0.02170951 -0.01424460
-6.32699169 15.91215041 -9.10472671
0.00019388 -0.00003639 0.00018663
-0.00106423 0.00399276 -0.00117467
-4.72366389 14.41884082 -11.05843837
0.00058552 0.00005116 -0.00037754
0.00458861 -0.00459603 -0.00369623
2.71918643 10.94140507 -5.54157843
-0.00007603 0.00009386 0.00056797
0.00510800 0.01070621 -0.01957138
1.36166305 13.18770291 -7.00339058
-0.00052907 0.00073628 -0.00005069
0.01501563 -0.00386328 0.00538091
-2.45439921 11.14299596 -14.21152386
-0.00044298 0.00024150 0.00047139
-0.03568020 0.00271817 0.01419721
-5.29785477 10.63365385 -13.12701134
0.00023854 0.00029871 0.00023837
0.01667312 0.00921689 -0.01027822
4.56022734 7.51050852 18.98301619
0.00080991 -0.00082347 0.00022009
0.00505055 0.00166937 0.00578241
2.09929122 6.82518350 17.65738225
-0.00008993 -0.00055668 0.00066644
-0.00364715 0.00252801 -0.00682034
-13.66993474 8.56801580 -8.97768411
0.00070541 -0.00078999 0.00032438
0.01210757 -0.00480370 0.00162429
-16.16927280 8.45489264 -7.42080846
0.00109540 -0.00001440 0.00002790
0.00013817 -0.00423944 -0.00640886
5.05611594 10.49422815 0.67265796
0.00133336 0.00067800 0.00064947
0.01978415 -0.01340087 -0.00669588
2.34317796 10.38599184 0.93722355
-0.00056949 0.00047026 -0.00103469
0.00617078 -0.03588463 -0.00409353
14.38760565 -23.75906190 -25.62567968
0.00010428 0.00007873 0.00003079
-0.01018517 -0.00119772 0.00537743
15.15901479 -24.64406020 -28.30439510
0.00018944 -0.00164332 -0.00049093
0.00269502 0.00721646 0.01943179
4.06884337 3.64651683 -0.50913100
-0.00144171 0.00079240 0.00103881
0.00405552 0.00364788 0.00820623
5.46472566 5.75500310 1.00054329
0.00090481 -0.00029028 0.00096789
-0.00761712 0.02626278 0.00810865
17.67428563 -3.70897459 -0.49304638
0.00113798 0.00006027 0.00011483
0.00297394 0.02146968 0.00028444
16.18730609 -6.07868321 -0.96199230
-0.00007783 0.00140179 -0.00019815
-0.01241744 -0.01740395 -0.01978292
-6.60032453 2.86050130 -1.77279003
-0.00007203 -0.00008482 -0.00008206
0.05326636 -0.01587816 -0.01501643
-4.94112156 1.27937392 -3.89409993
0.00028979 0.00057038 0.00040560
-0.00678646 0.00473009 0.01978147
2.48993313 2.86548955 -11.50590660
-0.00010827 0.00029604 -0.00122495
0.02119477 0.01046311 -0.00488400
0.36106409 1.31356731 -10.49095615
0.00032289 -0.00008237 -0.00166522
-0.00576428 0.02137298 -0.03350254
17.09088078 8.03707106 -7.83357969
-0.00009352 -0.00084289 -0.00085875
-0.02277895 0.00299144 -0.00256407
15.73357349 10.58863052 -6.74940258
-0.00149763 0.00029514 0.00110398
-0.00109004 -0.01941153 -0.00335740
-7.15529415 0.75375972 11.13756287
-0.00111560 0.00105827 -0.00016857
0.00538551 0.00266970 -0.00934975
-8.05726252 1.39452251 13.86629779
0.00059931 -0.00084963 -0.00005003
0.01811931 0.00541683 -0.00866198
-2.32890064 -16.71215244 14.16071346
-0.00117776 0.00014965 0.00015304
-0.00612065 -0.00459803 0.00212620
-4.73487690 -17.49730913 12.38013302
0.00098086 0.00070312 0.00060326
-0.00042338 -0.01798466 0.00573137
6.98507924 -6.13014578 -4.49024437
0.00102499 0.00042272 -0.00021233
0.00486421 -0.01340139 -0.01888922
5.49313486 -7.84567544 -6.37584799
0.00022464 0.00029783 -0.00068919
-0.00034344 0.00272286 0.00421534
-2.77929533 -11.46810923 2.04884621
-0.00035617 -0.00007965 -0.00047223
-0.01526671 -0.00088024 0.00443801
-0.35951851 -10.13817540 1.99148021
-0.00013338 0.00001951 -0.00097205
0.01330759 0.01787217 0.01399092
-14.67197504 -0.78765441 6.14790854
0.00044963 0.00073061 0.00102663
-0.01027763 -0.00773151 -0.01206105
-15.81521237 -1.88492433 3.59958187
0.00057680 0.00025637 -0.00020024
0.00464209 0.00770294 0.00983359
-9.53816117 4.58780842 -23.57295428
-0.00009925 -0.00015401 -0.00090279
-0.00302016 0.00298696 0.00146587
-8.97868811 4.41728405 -20.54557043
0.00002786 0.00040189 0.00011523
-0.00462087 -0.00883717 -0.02953296
2.18028887 0.93130337 -3.25105560
0.00048561 -0.00100481 -0.00047025
-0.01581989 -0.00596526 0.03408281
0.68763644 0.39967299 -0.49062977
-0.00058328 -0.00032867 0.00036251
-0.04571078 -0.02740936 0.01165279
14.10662453 9.33354677 3.39175324
0.00042847 0.00010237 -0.00064820
-0.01401408 -0.00162072 0.00518944
11.42059069 8.81825376 2.44267864
0.00056969 -0.00031758 -0.00043677
-0.02682365 0.01663249 -0.03927520
5.40165738 -9.25603146 -10.55926852
-0.00007637 -0.00015604 0.00000998
0.00032712 0.00759441 -0.01045371
-12.99057938 10.40455722 21.26873592
0.00009415 -0.00003315 0.00010179
0.00707523 -0.00094922 -0.00353496
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06690828
0.30934267
412.18359513
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.687 s
total exchange = -52.3891064526 (a.u.)
total exchange computation time: 3.2888460159 s
-154.2273152292
-931.37550617
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.691 s
total exchange = -52.3885671121 (a.u.)
total exchange computation time: 3.2873241901 s
-154.2323800370
Anderson extrapolation: theta=1.3528556568 (1.3528556568)
-931.37575670
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.686 s
total exchange = -52.3877630628 (a.u.)
total exchange computation time: 3.2911109924 s
-154.2398230583
Anderson extrapolation: theta=0.0556082057 (0.0556082057)
-931.37590764
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.688 s
total exchange = -52.3876598775 (a.u.)
total exchange computation time: 3.2871699333 s
-154.2407746806
Anderson extrapolation: theta=1.9921783711 (1.9921783711)
-931.37591391
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.687 s
total exchange = -52.3874403929 (a.u.)
total exchange computation time: 3.2893879414 s
-154.2427964661
Anderson extrapolation: theta=0.2315222478 (0.2315222478)
-931.37592097
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.686 s
total exchange = -52.3873899498 (a.u.)
total exchange computation time: 3.2889320850 s
-154.2432621309
Anderson extrapolation: theta=1.8050223475 (1.8050223475)
-931.37592238
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.692 s
total exchange = -52.3873193832 (a.u.)
total exchange computation time: 3.2901828289 s
-154.2439168966
Anderson extrapolation: theta=0.2809141291 (0.2809141291)
-931.37592402
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.688 s
total exchange = -52.3873195433 (a.u.)
total exchange computation time: 3.2871351242 s
-154.2439215645
Anderson extrapolation: theta=1.2910544148 (1.2910544148)
-931.37592437
238.205670 30.803913 202.510975
-142.313982 489.909358 -805.762554
95.891688 520.713271 -603.251580
802.651852
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.685 s
total exchange = -52.3873338378 (a.u.)
total exchange computation time: 3.2901880741 s
679.14350703
-1084.10865372
89.72030973
-388.88198789
-174.86176593
78.50669952
551.60419304
0.00000000
-931.37592461
-8.76067649 -3.94901719 3.64644766
0.00035502 -0.00010508 0.00002985
0.06704476 -0.01104937 0.00236719
-17.82220238 4.36326903 6.46723766
0.00004286 -0.00032093 -0.00013117
0.02166671 0.03086418 0.02532885
-15.54669487 -0.86821649 0.39185779
-0.00005506 -0.00023736 -0.00036745
-0.00299441 -0.05354446 -0.00822076
3.14319471 -20.58802692 15.51022851
-0.00037803 0.00023320 -0.00016625
0.02889299 -0.01079610 0.01196864
7.69795862 16.00739451 -1.29168871
0.00033569 0.00007364 0.00020191
0.00732279 -0.00790874 -0.02495079
-9.90109614 9.45895561 11.05265149
-0.00018142 -0.00020520 -0.00017881
-0.00930900 0.02868309 0.00987449
-8.33528540 -0.45599726 -14.31664674
-0.00010777 0.00014907 -0.00009201
0.04423071 0.01795709 0.04814398
-10.79500717 2.37077405 -6.99206149
0.00005911 0.00008739 0.00011837
0.00410381 0.02559460 0.00955590
-0.35619871 -5.73738756 15.36143307
-0.00019183 0.00006165 0.00045364
0.00863683 0.00432422 -0.01179697
-25.71244514 -0.72649229 -20.69143477
-0.00027844 -0.00007774 0.00016325
0.00489292 0.02515253 -0.01724383
8.88076613 7.51091432 7.85360306
-0.00000814 -0.00004463 -0.00003538
-0.01005843 -0.00959648 -0.01745009
20.82499489 28.63092258 -5.03756167
0.00021167 -0.00031622 -0.00010835
0.00165086 0.00949078 0.01801527
7.72327619 -1.54986442 -7.25420736
-0.00003647 -0.00010130 -0.00007462
-0.02984277 0.00428360 0.00086433
-9.24852350 -3.46950834 13.53892023
0.00001922 0.00004713 0.00018397
-0.00739548 0.00635552 -0.02745302
-1.26803213 -22.71941506 14.00130366
0.00000792 0.00013542 0.00029000
0.00023143 0.01490912 0.00092791
-11.03529702 -8.67485037 -8.09961835
0.00014779 0.00000184 0.00022849
0.02355850 0.05930884 -0.02638499
-15.90358594 -8.58889704 -15.50865782
-0.00002191 -0.00015429 -0.00006047
-0.00066512 0.03618798 0.00186669
16.83641093 12.74669095 3.59900277
0.00045018 0.00012875 0.00007889
0.00320831 -0.00024672 -0.00314480
20.14180283 -4.60072418 -14.77238773
-0.00027072 -0.00010529 -0.00010229
-0.02709236 -0.03652899 0.00745753
-0.37151166 8.15046622 -14.91058978
0.00026350 -0.00000077 -0.00000985
-0.00714350 0.00177263 0.01557510
0.63297294 -0.57242849 -16.97350731
-0.00007777 0.00042805 -0.00021260
0.00896441 0.01192270 0.01688010
11.90181834 20.92642208 -23.18295263
0.00027327 -0.00033475 -0.00008081
0.04141702 0.01678555 0.02054111
-11.32029423 15.22551153 -16.29210694
-0.00014460 -0.00013651 -0.00006161
0.01618005 -0.00035770 0.01799527
4.58826682 17.65209874 10.67771101
0.00025415 0.00022652 -0.00036796
0.03221153 -0.03044320 -0.01641292
-2.19104324 -11.08008661 -3.53354413
-0.00009313 0.00001792 -0.00011400
0.08537406 -0.03300297 0.01309017
1.29908988 -8.14915851 3.84066042
0.00007898 0.00004106 0.00029721
-0.01626596 0.01723984 0.01919888
9.58908151 2.07047316 8.26597271
-0.00008451 0.00037334 0.00009111
-0.00203871 -0.02449306 0.00089374
-6.95017677 -9.18262007 -3.06386938
-0.00001265 0.00038488 -0.00002722
-0.00317781 0.02936536 -0.03540190
3.85856704 -12.27268862 -13.11287915
-0.00018702 0.00030537 -0.00031041
0.00018811 -0.02688455 0.00816704
1.24650552 -4.53801943 -0.88507894
0.00006896 0.00017373 0.00013681
-0.01202143 0.02227493 -0.01489000
17.14887692 4.52100437 27.07375697
0.00042055 0.00014705 -0.00033142
0.00352176 -0.00423165 -0.00482794
-9.69777505 6.07183633 -4.34000311
-0.00027438 -0.00002627 0.00044802
-0.01154921 -0.03403522 0.02314214
-4.80403515 14.93692943 -9.31200806
0.00031264 0.00000690 -0.00017552
-0.00005659 -0.00013125 0.00838622
2.95804445 12.21679773 -6.89773867
-0.00014017 0.00012608 -0.00011869
-0.02235604 0.00135284 0.01579399
-4.12378696 11.95725341 -13.73309888
0.00026950 0.00015203 0.00007317
0.01382796 -0.01306283 0.00060040
3.85916321 7.30333871 17.30889286
-0.00001532 0.00014882 -0.00018365
-0.00659687 -0.00580019 0.01037145
-15.47447241 8.67012060 -9.11683320
-0.00058715 -0.00011029 -0.00008604
0.00751514 0.00384780 0.00652492
3.75679716 9.20609536 0.56838951
-0.00003074 -0.00008215 0.00015580
-0.01151374 0.04752697 0.00974493
15.86439345 -24.05159697 -26.67808877
0.00010186 -0.00006775 0.00003068
0.00278198 -0.01417127 -0.02554645
5.68572888 4.16343230 0.24585894
-0.00009785 -0.00004414 0.00025524
-0.00349735 -0.02883054 -0.01389883
17.26400554 -5.29853777 0.22548064
0.00016067 -0.00015905 -0.00029848
0.00795659 -0.00825043 0.02564145
-4.75585511 2.40762518 -2.40746832
-0.00023121 -0.00007180 0.00032913
-0.03277920 0.02037425 0.00636054
0.78294407 2.52920661 -11.91982093
-0.00018325 0.00008217 0.00012227
-0.01962606 -0.02877298 0.01861672
15.40033730 8.83866109 -7.28765738
-0.00001263 -0.00000625 0.00036395
0.02456415 0.01966623 0.00507736
-6.48621555 1.03215444 12.81759661
-0.00038990 0.00021658 0.00022466
-0.01753324 0.00199361 0.00632356
-3.57597585 -16.22082665 12.89854147
-0.00017636 -0.00017687 0.00000710
0.01305432 0.03222660 -0.01567747
7.01990273 -6.77548853 -6.30253308
-0.00026173 0.00034373 -0.00025549
-0.00950996 0.01104664 0.02643493
-1.10992530 -11.64703756 1.34186264
0.00000458 -0.00019123 -0.00040516
-0.01059680 -0.01932340 -0.01594955
-16.06654400 -1.79244830 5.46310155
0.00027856 -0.00010109 0.00051542
0.00720925 0.00484340 0.00043642
-9.22491008 3.43324709 -22.15824638
-0.00017736 -0.00031467 -0.00031588
0.01096538 0.02043993 0.03473548
1.99257495 1.11580110 -1.35938734
-0.00026289 -0.00013330 -0.00017334
0.05420490 0.03440000 -0.05053031
12.52123212 8.45909987 3.75985036
0.00007007 -0.00029309 -0.00009106
0.04055731 -0.01202544 0.02958082
-7.09378291 -4.50294117 2.78594177
-0.00030304 -0.00011376 0.00124639
-0.03920258 0.01947669 0.00169093
-10.03767883 -3.88587152 2.40246822
-0.00037726 -0.00003178 0.00009963
-0.00984244 0.01243493 -0.02863232
-16.42330000 5.60678650 6.78744423
0.00083029 -0.00027575 -0.00031203
-0.02130359 -0.01262896 0.00230399
-17.26034382 3.65098200 4.94120458
-0.00020058 0.00019159 -0.00060925
0.00300430 -0.01579293 -0.02678827
-16.12787254 0.82937553 0.57892582
0.00061311 0.00098334 0.00029233
-0.00875424 0.01760286 -0.00477194
-16.83538689 -1.94279884 -0.47813031
0.00146252 0.00038460 0.00000052
0.01493139 0.02921033 0.01262630
1.51122301 -21.21868920 14.97270265
-0.00085437 -0.00050866 0.00028090
-0.01479909 0.01836238 0.00309530
3.39464321 -18.83956078 16.03614435
-0.00012072 -0.00035835 0.00027733
-0.01422546 -0.00502084 -0.00990923
8.07442800 14.19311541 -1.22049909
-0.00018350 -0.00035144 -0.00015178
0.00579295 -0.00423575 -0.00072590
7.09942263 16.35694106 0.33576118
-0.00079679 0.00011062 -0.00054125
-0.01068762 0.01010654 0.02553978
-8.62723536 9.45670121 12.44140642
-0.00045492 -0.00101559 0.00008134
-0.00762212 -0.01337761 -0.00501506
-10.80485268 11.06663528 11.47127845
-0.00072759 0.00025407 -0.00018316
0.01462074 -0.01886919 -0.00470338
-9.90696513 0.31862340 -14.50063492
-0.00049636 0.00032757 0.00017290
-0.04039049 0.01544285 -0.00555137
-8.12558476 -1.70730889 -15.50594081
-0.00018538 0.00077855 -0.00140778
-0.00123897 -0.03293992 -0.03954764
-12.06072765 1.12405069 -6.92385086
-0.00004697 -0.00068462 0.00027331
-0.02143146 -0.02376367 -0.00010771
-11.26276793 3.71585147 -5.73260875
-0.00005176 0.00042139 0.00007639
0.01977310 -0.01856274 -0.02260095
-1.93710122 -6.41029355 14.72733818
-0.00036754 -0.00052408 0.00010487
-0.01029008 0.00019421 -0.00355607
-0.44634629 -5.66816114 17.15509227
-0.00011309 -0.00033222 -0.00038631
-0.00123099 -0.00375453 0.01774718
-24.67794653 -0.37148638 -19.23660147
0.00055717 0.00031828 -0.00137326
0.00949384 0.00012916 0.00185629
-25.65149177 0.77962011 -21.86617885
-0.00046832 -0.00110488 -0.00040492
-0.00792013 -0.02034615 0.01013514
9.60236567 8.26928653 6.33740888
0.00074906 -0.00112208 -0.00090468
0.00726262 -0.00289872 0.01030855
10.01512638 7.92153172 9.23401528
0.00012889 0.00020805 0.00013813
0.00969509 0.00397482 -0.00023144
19.84439428 27.55546797 -3.88863915
-0.00004730 -0.00016965 0.00062294
0.00315377 0.00475216 -0.00395605
20.36811389 30.47341301 -4.60376072
0.00035545 0.00030587 -0.00058597
0.00180213 -0.01981948 -0.00224941
5.92032295 -0.90390585 -7.21520255
-0.00083847 0.00008500 -0.00059982
0.03583193 -0.00915241 -0.00006650
7.60157717 -3.38916972 -7.08522985
0.00066524 0.00044547 0.00022042
-0.00894494 0.00836197 -0.00044234
-8.60828354 -2.17397756 12.30384845
0.00101014 0.00030879 -0.00010779
-0.01145004 -0.02167843 0.01948856
-11.10695564 -3.42232197 13.41004409
0.00055376 -0.00074602 0.00069489
0.01677577 0.01186423 0.00285059
-1.02713938 -24.23351239 14.96586647
0.00065811 -0.00017059 -0.00067857
-0.00219939 -0.01831267 0.00004008
-3.01296621 -22.17106573 14.21628193
0.00040497 -0.00040606 0.00062459
0.00040023 -0.00278476 -0.00531093
-12.66981579 -8.23420825 -7.25368670
-0.00013656 -0.00016233 -0.00083886
0.01269738 0.00498736 -0.00307020
-10.31431258 -6.91293121 -8.82083169
-0.00056882 0.00032069 0.00163774
-0.02753941 -0.06395471 0.02953184
-16.15146754 -10.28816702 -15.88121852
0.00035574 0.00045287 0.00069368
-0.00339666 -0.03979667 0.00013061
-14.24693730 -8.11514226 -16.20450906
-0.00011247 0.00027695 0.00010843
0.00115783 0.00377284 0.00194722
17.35386496 12.91727408 5.36581425
0.00021946 -0.00000772 -0.00007951
-0.00594276 -0.00539099 0.00102627
17.12073420 14.36586979 2.80245144
-0.00047694 0.00076447 -0.00010402
0.00204581 -0.00107151 -0.00364619
18.32911269 -4.44865516 -14.98806242
-0.00027709 -0.00075446 0.00031543
0.00660659 -0.00491501 0.00419388
20.72510504 -3.04611106 -15.36517734
-0.00006998 0.00078195 -0.00025786
0.02437864 0.03618203 -0.01557619
-0.69569016 6.82854684 -13.69468714
0.00157921 -0.00101216 -0.00034016
-0.00435042 -0.00105865 0.00690189
-0.17040585 7.20330321 -16.41445475
-0.00079820 0.00038275 -0.00093917
0.00192646 -0.00562113 -0.02219615
0.71588146 0.63901796 -15.55317326
-0.00033583 0.00020269 -0.00012603
-0.00374962 -0.00470288 -0.00809617
2.42291213 -1.04773683 -17.09971204
-0.00127684 0.00010895 0.00076185
-0.00550729 -0.00098550 -0.00174387
12.54005022 22.51811126 -22.21394298
0.00051515 0.00016338 0.00023672
-0.03105044 -0.03418088 -0.02977944
10.10321872 20.93141791 -23.33647810
0.00097188 -0.00040249 -0.00027295
-0.01288110 0.00934079 0.00470215
-9.94561412 16.07109228 -17.39782320
-0.00027906 0.00006723 -0.00066180
-0.02223190 -0.00917476 0.02418247
-10.83477989 15.62949131 -14.53859265
-0.00029461 0.00063115 -0.00058018
-0.00691069 -0.00542209 -0.02360542
3.38270257 18.69712740 11.33990797
0.00106075 -0.00042082 -0.00008561
-0.04265358 0.02890710 0.03245607
4.72746481 18.35677711 9.02134798
-0.00016120 0.00032959 -0.00026961
0.01061893 -0.00421293 -0.01866683
-3.81922589 -10.53349625 -3.36030185
0.00061937 -0.00034374 0.00029441
-0.06036473 0.02328114 0.00940324
-1.45628740 -11.41433363 -1.75163019
-0.00120786 0.00052561 0.00076189
-0.02225077 0.01117895 -0.02525514
0.09321009 -7.39996385 5.05654299
-0.00006879 -0.00045764 0.00000963
0.00462533 0.00043622 -0.01435462
2.70468899 -8.44264844 4.96380593
0.00081290 -0.00025395 0.00106008
0.01688536 -0.00150476 -0.00108557
7.85594334 1.87194548 8.75613744
-0.00049900 -0.00002175 -0.00110835
-0.00346732 0.00313816 0.00443461
9.73543326 3.79645774 7.80229312
-0.00013547 0.00032282 0.00123374
-0.00066711 0.02744968 -0.00433706
-8.10314083 -8.49108898 -4.39953537
-0.00070574 0.00011404 0.00062236
0.01258541 -0.01636674 0.02586703
-7.91128167 -10.20441864 -1.95739897
-0.00017583 0.00036694 -0.00089779
-0.02244115 -0.01047364 0.00925488
4.70257796 -13.56558892 -12.05732157
0.00011505 -0.00004682 0.00000107
-0.00354218 0.01635316 -0.01044956
2.41141047 -13.18208732 -13.83752839
-0.00007769 0.00038733 -0.00014571
0.00055860 0.00895550 -0.00087815
1.29871854 -5.85930110 0.28913555
0.00020766 -0.00010972 0.00080262
0.01163323 -0.03154226 0.02194949
-0.29286310 -3.76023604 -0.27349635
-0.00008263 -0.00038003 -0.00025062
0.00003460 0.00768420 -0.00558640
17.42702574 3.31276785 25.72801689
-0.00016509 -0.00026559 -0.00034904
-0.00115490 0.00224409 0.00327762
16.68525085 3.47165497 28.48795131
-0.00020371 -0.00007055 0.00096424
-0.00253616 -0.00063112 0.00066993
-10.78120664 7.24734837 -3.56161244
0.00076677 0.00043762 0.00046346
-0.01425527 0.03250272 0.00848053
-8.31817403 6.86020722 -5.18464616
-0.00021052 0.00003140 0.00070277
0.01355714 0.02156281 -0.01511843
-6.32411609 15.91172687 -9.10196319
0.00019113 -0.00002151 0.00018073
-0.00028112 0.00329091 -0.00171743
-4.71474046 14.41946745 -11.06421473
0.00060340 0.00003361 -0.00038960
0.00416328 -0.00399797 -0.00220753
2.71820244 10.94314099 -5.53365854
-0.00005467 0.00014139 0.00048352
0.00534748 0.01256083 -0.02177224
1.35418715 13.19862873 -7.00398612
-0.00046099 0.00071616 -0.00002792
0.01831096 -0.00598427 0.00576783
-2.46213725 11.14670181 -14.20401792
-0.00058034 0.00024939 0.00052700
-0.03155695 0.00114417 0.01302174
-5.29376578 10.63841699 -13.12375071
0.00030578 0.00033603 0.00019676
0.01624383 0.00905078 -0.01008912
4.57253078 7.49820767 18.98649473
0.00082680 -0.00081726 0.00023524
0.00321391 0.00137129 0.00163208
2.09783043 6.81691082 17.66716985
-0.00009976 -0.00054461 0.00063702
-0.00116188 0.00337813 -0.00758166
-13.65898264 8.55601878 -8.97276870
0.00073307 -0.00080790 0.00032687
0.00143325 -0.00396433 -0.00040453
-16.15283760 8.45454668 -7.42058642
0.00109002 -0.00003246 0.00000858
-0.00276991 -0.00459756 -0.00304743
5.07672253 10.50398750 0.68219489
0.00139619 0.00060825 0.00062124
0.01097443 -0.02074395 -0.00712262
2.33482463 10.39194610 0.92157782
-0.00053751 0.00032065 -0.00105203
0.00948417 -0.03734930 -0.00439457
14.38885781 -23.75791762 -25.62505302
0.00006265 0.00007335 0.00005158
-0.01019402 -0.00143799 0.00479843
15.16193899 -24.66848879 -28.31116360
0.00020354 -0.00160909 -0.00040081
0.00420601 0.00953476 0.02468180
4.04734204 3.65851458 -0.49329740
-0.00141758 0.00080825 0.00107477
0.00775689 0.00411290 0.00939717
5.47806444 5.75145361 1.01531016
0.00087430 -0.00018299 0.00100130
-0.00731760 0.02625761 0.00824448
17.69144644 -3.70741268 -0.49131516
0.00114900 0.00014339 0.00011878
0.00242108 0.01922150 0.00164589
16.18575810 -6.05818971 -0.96557068
-0.00013473 0.00132673 -0.00028530
-0.01543333 -0.01933963 -0.02288176
-6.59977274 2.85874247 -1.77448110
0.00014297 -0.00014913 -0.00014220
0.05197877 -0.01560152 -0.01442139
-4.93698261 1.28807460 -3.88740970
0.00026127 0.00058554 0.00048077
-0.00717487 0.00268952 0.01701201
2.48895855 2.87025079 -11.52443047
-0.00001979 0.00033863 -0.00124359
0.02211915 0.01038375 -0.00424107
0.36573074 1.31298671 -10.51696109
0.00029733 -0.00000310 -0.00178951
-0.00674684 0.01743029 -0.02733550
17.08877999 8.02451935 -7.84653951
-0.00018883 -0.00082602 -0.00086644
-0.02387562 0.00526865 -0.00119846
15.71107557 10.59246281 -6.73294575
-0.00149931 0.00021210 0.00108818
0.00027148 -0.02123620 -0.00437780
-7.17186317 0.76971560 11.13474789
-0.00109002 0.00107025 -0.00019981
0.00713905 0.00319300 -0.00594548
-8.04771768 1.38194399 13.86528186
0.00066427 -0.00082450 -0.00007834
0.01367940 0.00688669 -0.00519178
-2.34675457 -16.71004861 14.16307428
-0.00119481 0.00012885 0.00016882
-0.00222613 -0.00558416 0.00559398
-4.72017695 -17.48731344 12.38935760
0.00096136 0.00061124 0.00061838
-0.00912389 -0.02699149 0.00166930
7.00060321 -6.12421563 -4.49400807
0.00104217 0.00036668 -0.00028977
0.00354477 -0.01403339 -0.01902122
5.49649395 -7.84112462 -6.38605667
0.00021917 0.00030729 -0.00066980
-0.00233687 0.00191004 0.00527425
-2.78510575 -11.46933091 2.04189882
-0.00041344 -0.00008300 -0.00045539
-0.01276552 -0.00076234 0.00380138
-0.36111140 -10.13733512 1.97732818
-0.00007913 0.00009332 -0.00091405
0.01324594 0.01826080 0.01439861
-14.66554556 -0.77693211 6.16293837
0.00040025 0.00069297 0.00097272
-0.01389287 -0.01069706 -0.01432675
-15.80641810 -1.88084269 3.59687960
0.00059433 0.00028839 -0.00015187
0.00393945 0.00797187 0.01384364
-9.53974245 4.58558977 -23.58645127
-0.00011039 -0.00014597 -0.00089210
-0.00243345 0.00095053 0.00377098
-8.97841175 4.42304163 -20.54474702
0.00000784 0.00036125 -0.00001233
-0.00518127 -0.01105552 -0.03290810
2.18708822 0.91604847 -3.25706496
0.00041995 -0.00102814 -0.00032705
-0.01631790 -0.00545812 0.03601625
0.67748649 0.39390301 -0.48483500
-0.00075820 -0.00043504 0.00040231
-0.03991501 -0.02465872 0.00782699
14.11262217 9.33503268 3.38218931
0.00036480 0.00009164 -0.00062417
-0.01715440 -0.00363192 0.00656937
11.42831401 8.81399978 2.43492354
0.00045958 -0.00025012 -0.00059684
-0.02707268 0.01638914 -0.03908089
5.40051267 -9.25835172 -10.55914684
-0.00007628 -0.00015332 0.00000624
0.00020335 0.00762372 -0.01047923
-12.98915482 10.40405833 21.27025668
0.00009580 -0.00003337 0.00010097
0.00712058 -0.00091313 -0.00354997
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06646379
0.30946081
412.34102113
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.866 s
total exchange = -52.3824911340 (a.u.)
total exchange computation time: 3.2872171402 s
-154.2009051606
-931.37615352
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.872 s
total exchange = -52.3819727593 (a.u.)
total exchange computation time: 3.2905480862 s
-154.2057120395
Anderson extrapolation: theta=1.3495221138 (1.3495221138)
-931.37640557
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.868 s
total exchange = -52.3811777077 (a.u.)
total exchange computation time: 3.2879090309 s
-154.2128711764
Anderson extrapolation: theta=0.0545586195 (0.0545586195)
-931.37655646
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.868 s
total exchange = -52.3810594785 (a.u.)
total exchange computation time: 3.2919859886 s
-154.2138559164
Anderson extrapolation: theta=1.9593215353 (1.9593215353)
-931.37656238
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.871 s
total exchange = -52.3808072775 (a.u.)
total exchange computation time: 3.2889559269 s
-154.2159218179
Anderson extrapolation: theta=0.2251131492 (0.2251131492)
-931.37656864
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.867 s
total exchange = -52.3807463704 (a.u.)
total exchange computation time: 3.2922489643 s
-154.2163890560
Anderson extrapolation: theta=1.7964730653 (1.7964730653)
-931.37656979
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.867 s
total exchange = -52.3806561923 (a.u.)
total exchange computation time: 3.2893109322 s
-154.2170416636
Anderson extrapolation: theta=0.2797897524 (0.2797897524)
-931.37657103
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.868 s
total exchange = -52.3806502436 (a.u.)
total exchange computation time: 3.2913618088 s
-154.2170447234
Anderson extrapolation: theta=1.3020745284 (1.3020745284)
-931.37657129
238.265494 30.828406 202.494479
-142.311656 489.924010 -805.793005
95.953838 520.752416 -603.298526
802.719957
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 2.868 s
total exchange = -52.3806564789 (a.u.)
total exchange computation time: 3.2887771130 s
679.04459244
-1083.88900137
89.72441992
-389.03140932
-174.84451662
78.38539527
551.60419304
0.00000000
-931.37657142
-8.75509253 -3.95063594 3.64690457
0.00038739 -0.00011035 0.00003109
0.05882475 -0.00947823 0.00244195
-17.82147590 4.35857406 6.46536776
0.00005481 -0.00030480 -0.00011842
0.02479105 0.03187301 0.02427415
-15.54753237 -0.87198344 0.38631438
-0.00005521 -0.00026147 -0.00037002
0.00243595 -0.04019200 -0.00180059
3.13763564 -20.58457050 15.50778096
-0.00036401 0.00022640 -0.00016065
0.02566141 -0.01564479 0.00979245
7.70302217 16.00846854 -1.28875631
0.00033982 0.00006898 0.00018848
0.00874343 -0.01017889 -0.02727140
-9.90385339 9.45598819 11.05000750
-0.00018677 -0.00018983 -0.00017361
-0.01147418 0.03110785 0.01034355
-8.33673139 -0.45369196 -14.31784117
-0.00008594 0.00015772 -0.00006833
0.04068532 0.01568739 0.04394773
-10.79410468 2.37218360 -6.99024902
0.00006009 0.00009969 0.00012348
-0.00028738 0.02224951 0.01030254
-0.35904280 -5.73644614 15.36819210
-0.00018811 0.00006346 0.00044538
0.00583463 0.00270234 -0.02028708
-25.71660288 -0.72756134 -20.68905252
-0.00027665 -0.00006559 0.00015375
0.00205728 0.02208033 -0.01971913
8.88060523 7.51020786 7.85300506
-0.00001269 -0.00004915 -0.00004484
-0.00762499 -0.00797872 -0.01934979
20.82817633 28.62621594 -5.03911743
0.00021193 -0.00031136 -0.00009854
-0.00062801 0.00938586 0.02014428
7.72261403 -1.55136735 -7.25532334
-0.00005258 -0.00009764 -0.00007429
-0.03278782 0.00993068 0.00040320
-9.24826380 -3.46877689 13.54157394
0.00001706 0.00005073 0.00016957
-0.00099694 0.00765235 -0.02856078
-1.26791238 -22.71732625 14.00565716
0.00000895 0.00014303 0.00029018
0.00375196 0.01467612 -0.00021152
-11.03298923 -8.67459398 -8.09629281
0.00015979 0.00003209 0.00021515
0.02310147 0.05832082 -0.02549292
-15.90391717 -8.59107176 -15.50955774
-0.00002215 -0.00013389 -0.00005913
-0.00024732 0.04314141 0.00337564
16.84317594 12.74862131 3.60017397
0.00045178 0.00012933 0.00007643
0.00301198 0.00247399 -0.00639525
20.13763757 -4.60244444 -14.77389326
-0.00028350 -0.00012212 -0.00009915
-0.02261900 -0.02893571 0.00474297
-0.36758674 8.15046155 -14.91067743
0.00025981 -0.00000095 -0.00000244
-0.00719008 -0.00248267 0.01322788
0.63184105 -0.56596175 -16.97663120
-0.00007510 0.00043455 -0.00020378
0.00139461 0.01334125 0.01740632
11.90607714 20.92146556 -23.18408554
0.00029613 -0.00032575 -0.00006982
0.04749478 0.01820001 0.02221167
-11.32240089 15.22346247 -16.29296172
-0.00013626 -0.00013665 -0.00005333
0.01628065 -0.00019113 0.01420495
4.59220336 17.65537906 10.67212832
0.00027208 0.00020961 -0.00037717
0.03748320 -0.03531068 -0.01941555
-2.19211086 -11.07994508 -3.53520365
-0.00004797 0.00000054 -0.00010696
0.09025221 -0.03458210 0.01427759
1.30021191 -8.14847614 3.84519268
0.00007254 0.00004927 0.00030786
-0.00881470 0.01468742 0.02220329
9.58780596 2.07597880 8.26734283
-0.00008590 0.00036010 0.00009180
-0.00333975 -0.02700328 0.00177700
-6.95037881 -9.17673362 -3.06441425
-0.00001408 0.00040025 -0.00004576
-0.00235834 0.03041343 -0.03669016
3.85576241 -12.26821172 -13.11750376
-0.00018620 0.00029117 -0.00030555
0.00302894 -0.02833984 0.01070402
1.24749358 -4.53532755 -0.88308425
0.00006322 0.00018362 0.00013014
-0.01029409 0.01616905 -0.01102763
17.15519871 4.52319374 27.06876705
0.00042176 0.00014335 -0.00033216
0.00121009 -0.01013122 0.00193328
-9.70193536 6.07131100 -4.33319356
-0.00027995 -0.00004388 0.00045962
-0.01011372 -0.03443159 0.02197848
-4.79934576 14.93703243 -9.31460858
0.00031251 0.00000686 -0.00017147
-0.00044162 -0.00000983 0.00738540
2.95585574 12.21869409 -6.89945803
-0.00015234 0.00012687 -0.00011024
-0.02500431 0.00174498 0.01703824
-4.11969117 11.95948355 -13.73199906
0.00027553 0.00014594 0.00007376
0.00962703 -0.01062143 0.00171600
3.85890796 7.30554860 17.30617815
-0.00001885 0.00014571 -0.00017701
-0.00712881 -0.00627504 0.01542414
-15.48325067 8.66848117 -9.11809860
-0.00057997 -0.00010843 -0.00008313
0.02041314 0.00337203 0.00479928
3.75629161 9.20504646 0.57076409
-0.00003519 -0.00005587 0.00016094
-0.00578570 0.05464333 0.01024550
15.86593209 -24.05266793 -26.67772716
0.00010291 -0.00007549 0.00001663
0.00128534 -0.01591971 -0.02908651
5.68424758 4.16265897 0.24963389
-0.00010068 -0.00005890 0.00024789
-0.00748333 -0.02857226 -0.01467744
17.26644629 -5.30095527 0.22110236
0.00016555 -0.00016227 -0.00028510
0.01103458 -0.00429847 0.02639023
-4.75944966 2.40662681 -2.40250678
-0.00024742 -0.00006091 0.00033291
-0.03025255 0.02197066 0.00831989
0.78011956 2.53032820 -11.91791501
-0.00019299 0.00006880 0.00012994
-0.01823160 -0.02322336 0.01121184
15.40024263 8.83864323 -7.28217849
-0.00000022 0.00000359 0.00036643
0.02367804 0.01857118 0.00454412
-6.49213161 1.03541086 12.82099097
-0.00039798 0.00021702 0.00022596
-0.01391446 -0.00030508 -0.00129957
-3.57857096 -16.22335545 12.89858742
-0.00016845 -0.00015769 -0.00000075
0.01771150 0.04238909 -0.01483657
7.01594008 -6.77028990 -6.30626344
-0.00026579 0.00034971 -0.00024217
-0.00626527 0.01217157 0.02535595
-1.10989743 -11.64998048 1.33572377
-0.00000154 -0.00020094 -0.00041306
-0.01320164 -0.01844971 -0.01479170
-16.06233775 -1.79394603 5.47083450
0.00028323 -0.00009800 0.00051511
0.01093846 0.00719065 -0.00162426
-9.22752819 3.42860588 -22.16285056
-0.00017177 -0.00030324 -0.00029790
0.01076711 0.02400890 0.03519200
1.98884067 1.11393431 -1.36218235
-0.00023675 -0.00011654 -0.00019831
0.04744249 0.03076499 -0.04655412
12.52243958 8.45465717 3.75859860
0.00009125 -0.00029865 -0.00007664
0.04182908 -0.00960268 0.02646780
-7.09952975 -4.50405068 2.80468943
-0.00045513 -0.00003668 0.00124724
-0.03524662 0.01825339 -0.00127625
-10.04363934 -3.88596720 2.40308527
-0.00040937 0.00001869 -0.00001151
-0.00587696 0.01227172 -0.02576946
-16.41149852 5.60226331 6.78283442
0.00073860 -0.00033059 -0.00030288
-0.02357604 -0.01421693 0.00217131
-17.26326041 3.65337188 4.93124493
-0.00018996 0.00012830 -0.00071581
0.00219178 -0.01518876 -0.02537165
-16.11894414 0.84466501 0.58316459
0.00058174 0.00103933 0.00027010
-0.00660334 0.00980622 -0.00611278
-16.81299148 -1.93613479 -0.47773566
0.00150809 0.00049351 0.00004256
0.00737461 0.02410379 0.00795371
1.49795390 -21.22575638 14.97701103
-0.00090841 -0.00043011 0.00029561
-0.01165274 0.02008516 0.00410608
3.39239654 -18.84508982 16.04000066
-0.00017878 -0.00037280 0.00023857
-0.01419508 -0.00205635 -0.00906325
8.07185303 14.18771395 -1.22279802
-0.00016081 -0.00036426 -0.00015391
0.00531496 -0.00203519 -0.00031959
7.08714327 16.35891004 0.32842498
-0.00084235 0.00015204 -0.00043325
-0.01161644 0.01016977 0.02732915
-8.63429266 9.44105737 12.44247290
-0.00048609 -0.00106833 0.00006153
-0.00763979 -0.01243655 -0.00468187
-10.81531848 11.06986819 11.46838695
-0.00066284 0.00017100 -0.00020304
0.01707220 -0.02179497 -0.00503078
-9.91564815 0.32401022 -14.49821148
-0.00065324 0.00038700 0.00015146
-0.03640541 0.01364535 -0.00494738
-8.12840349 -1.69664006 -15.52826933
-0.00019149 0.00065251 -0.00156189
-0.00174890 -0.02875840 -0.03589293
-12.06208899 1.11305315 -6.91975456
-0.00012612 -0.00077223 0.00027302
-0.01731118 -0.01912010 -0.00003100
-11.26293837 3.72160349 -5.73215543
0.00002835 0.00034306 -0.00001716
0.01943978 -0.01978077 -0.02319383
-1.94292969 -6.41814884 14.72880223
-0.00040335 -0.00052035 0.00009267
-0.00723843 0.00163225 -0.00241287
-0.44808037 -5.67325956 17.14984151
-0.00011887 -0.00034702 -0.00029921
-0.00159650 -0.00348627 0.02488842
-24.66929798 -0.36670819 -19.25714342
0.00060159 0.00032036 -0.00135679
0.01224636 0.00088845 0.00620470
-25.65875924 0.76242345 -21.87194211
-0.00050068 -0.00118279 -0.00036670
-0.00791922 -0.01779192 0.00857280
9.61382413 8.25236648 6.32415462
0.00077584 -0.00113640 -0.00085553
0.00584835 -0.00411038 0.01374982
10.01735684 7.92477427 9.23608008
0.00016648 0.00022362 0.00013393
0.00870336 0.00364790 -0.00182223
19.84378140 27.55306881 -3.87941635
-0.00003078 -0.00014586 0.00060243
0.00493258 0.00689394 -0.00608080
20.37350089 30.47739376 -4.61261920
0.00036323 0.00022114 -0.00059477
0.00200435 -0.02165666 -0.00205603
5.90884396 -0.90291130 -7.22420195
-0.00068457 0.00004455 -0.00059947
0.03950067 -0.01064643 0.00024032
7.61128163 -3.38223140 -7.08193709
0.00062697 0.00047205 0.00021914
-0.00978529 0.00464729 -0.00018627
-8.59348229 -2.17001000 12.30282880
0.00095866 0.00021569 -0.00002365
-0.01374971 -0.02389578 0.02170026
-11.09813515 -3.43314877 13.42055483
0.00061441 -0.00069533 0.00070423
0.01291183 0.01295088 0.00171870
-1.01733507 -24.23663245 14.95568916
0.00064865 -0.00024758 -0.00067706
-0.00243548 -0.01937323 0.00069758
-3.00687947 -22.17724198 14.22548799
0.00040008 -0.00041559 0.00060418
-0.00279277 -0.00187857 -0.00467852
-12.67147506 -8.23649039 -7.26636371
-0.00008762 -0.00014260 -0.00084878
0.01125960 0.00467339 -0.00178704
-10.32368884 -6.91008056 -8.79536057
-0.00067749 0.00006170 0.00175415
-0.02565347 -0.06282519 0.02744894
-16.14623553 -10.28259353 -15.87080926
0.00034039 0.00027610 0.00069137
-0.00411947 -0.04672960 -0.00126372
-14.24858879 -8.11087235 -16.20282298
-0.00010727 0.00029210 0.00011598
0.00138330 0.00364277 0.00174904
17.35697474 12.91699308 5.36465306
0.00019628 -0.00002877 -0.00007267
-0.00540156 -0.00491470 0.00232071
17.11364278 14.37730396 2.80077941
-0.00046911 0.00075333 -0.00011555
0.00178578 -0.00438123 -0.00199855
18.32515886 -4.46012260 -14.98320240
-0.00025136 -0.00077304 0.00033194
0.00598533 -0.00418369 0.00388554
20.72480235 -3.03327306 -15.36952262
0.00002171 0.00091303 -0.00031545
0.02050554 0.02798192 -0.01261178
-0.67213536 6.81333197 -13.69957798
0.00156215 -0.00101312 -0.00031502
-0.00400155 0.00059224 0.00540195
-0.18231978 7.20887220 -16.42922252
-0.00079158 0.00036496 -0.00102220
0.00131476 -0.00308451 -0.01844406
0.71072914 0.64191425 -15.55531185
-0.00035164 0.00018495 -0.00015821
-0.00399126 -0.00398464 -0.00765279
2.40359081 -1.04613279 -17.08833769
-0.00128352 0.00010022 0.00075240
0.00223485 -0.00329010 -0.00288497
12.54682592 22.51951451 -22.21130476
0.00038671 0.00002076 0.00011270
-0.03181792 -0.03563164 -0.03092672
10.11740215 20.92566678 -23.34042824
0.00090828 -0.00036410 -0.00025474
-0.01824889 0.00945331 0.00421335
-9.95048129 16.07181964 -17.40700915
-0.00037131 0.00002829 -0.00056049
-0.02292381 -0.00988770 0.02540960
-10.83941083 15.63879246 -14.54801864
-0.00032125 0.00061015 -0.00067109
-0.00612754 -0.00485995 -0.02089591
3.39730679 18.69170087 11.33961841
0.00087573 -0.00029324 0.00005400
-0.04791668 0.03354746 0.03588448
4.72537226 18.36159190 9.01673181
-0.00011768 0.00031267 -0.00034671
0.01068290 -0.00407197 -0.01907287
-3.81178513 -10.53793891 -3.35559755
0.00036006 -0.00024446 0.00033173
-0.06656622 0.02531850 0.00886603
-1.47508711 -11.40610694 -1.74097569
-0.00129530 0.00056966 0.00065651
-0.02055476 0.01038501 -0.02632964
0.09231998 -7.40681514 5.05624754
-0.00005202 -0.00045419 -0.00004594
0.00358405 0.00125668 -0.01284398
2.71739990 -8.44650384 4.97967392
0.00086869 -0.00025694 0.00104563
0.01042447 0.00004181 -0.00598953
7.84835208 1.87171533 8.73964809
-0.00051134 -0.00000887 -0.00109055
-0.00257290 0.00317065 0.00427708
9.73338070 3.80214124 7.82066630
-0.00013739 0.00044009 0.00121475
-0.00027134 0.02995273 -0.00495825
-8.11334128 -8.48987984 -4.38940738
-0.00065400 0.00004947 0.00072479
0.01274095 -0.01524466 0.02427735
-7.91460683 -10.19923549 -1.97058215
-0.00026983 0.00031961 -0.00085421
-0.02357292 -0.01269690 0.01207717
4.70419523 -13.56579017 -12.05762568
0.00009713 0.00002448 -0.00004548
-0.00522997 0.01854905 -0.01233770
2.41026227 -13.17600289 -13.83974102
-0.00007732 0.00042241 -0.00015065
-0.00037881 0.00821461 -0.00154022
1.30218988 -5.86191342 0.30184745
0.00025473 -0.00022783 0.00088343
0.01140806 -0.02627626 0.01760631
-0.29410144 -3.76570101 -0.27742678
-0.00008543 -0.00034732 -0.00027229
-0.00140745 0.00832734 -0.00502098
17.42451407 3.30885280 25.72288172
-0.00017041 -0.00025532 -0.00033292
-0.00144989 0.00278060 0.00461273
16.68211750 3.47057737 28.50243542
-0.00020869 -0.00006234 0.00095036
0.00009665 0.00465256 -0.00746149
-10.77014197 7.25490860 -3.55440066
0.00070482 0.00057277 0.00050068
-0.01606725 0.03365438 0.00974100
-8.32091642 6.86133897 -5.17456793
-0.00015402 0.00011822 0.00064017
0.01410263 0.02093749 -0.01552456
-6.32125773 15.91150500 -9.09930493
0.00019166 -0.00000953 0.00017256
0.00053957 0.00257487 -0.00228023
-4.70556189 14.41984906 -11.07012639
0.00061951 0.00001858 -0.00039535
0.00372350 -0.00335747 -0.00060431
2.71754618 10.94564671 -5.52707298
-0.00003255 0.00019547 0.00039115
0.00548090 0.01391300 -0.02344143
1.34783346 13.20918780 -7.00422817
-0.00038061 0.00068802 -0.00000368
0.02103275 -0.00778980 0.00609807
-2.47180930 11.15047778 -14.19571394
-0.00069892 0.00025012 0.00057724
-0.02649224 -0.00079084 0.01157184
-5.28868126 10.64373481 -13.12110841
0.00037046 0.00037197 0.00015634
0.01541596 0.00854059 -0.00970106
4.58503120 7.48599085 18.99007330
0.00083600 -0.00081214 0.00023341
0.00129061 0.00113202 -0.00252451
2.09629844 6.80884518 17.67649280
-0.00009954 -0.00052906 0.00060452
0.00126744 0.00423322 -0.00832481
-13.64794270 8.54377879 -8.96787808
0.00071869 -0.00082226 0.00032116
-0.00846991 -0.00306636 -0.00238998
-16.13657217 8.45391896 -7.42055114
0.00107295 -0.00005198 0.00000317
-0.00558848 -0.00496031 0.00039944
5.09800170 10.51247553 0.69129529
0.00142440 0.00051035 0.00059126
0.00283253 -0.02717823 -0.00755288
2.32705255 10.39561137 0.90566276
-0.00049332 0.00016632 -0.00107013
0.01215108 -0.03819584 -0.00446717
14.38948521 -23.75686147 -25.62413228
0.00002167 0.00006686 0.00006962
-0.00986940 -0.00173764 0.00403252
15.16512096 -24.69233303 -28.31641945
0.00022316 -0.00156581 -0.00029100
0.00539935 0.01165397 0.02906974
4.02631610 3.67076439 -0.47688788
-0.00137885 0.00082575 0.00111511
0.01120079 0.00445095 0.01034800
5.49095474 5.74951335 1.03058230
0.00084529 -0.00007807 0.00103410
-0.00688469 0.02510050 0.00780973
17.70875563 -3.70467275 -0.48948306
0.00115727 0.00021601 0.00012870
0.00162858 0.01632456 0.00321071
16.18326426 -6.03888146 -0.97055140
-0.00020228 0.00124525 -0.00038334
-0.01763519 -0.02054093 -0.02510882
-6.59603536 2.85602748 -1.77705600
0.00035089 -0.00021176 -0.00019938
0.04979598 -0.01505660 -0.01356800
-4.93328338 1.29694012 -3.87967687
0.00023123 0.00059189 0.00054383
-0.00753131 0.00041799 0.01385504
2.48933956 2.87564842 -11.54321425
0.00007036 0.00038035 -0.00126000
0.02200665 0.01003711 -0.00379127
0.36998390 1.31347434 -10.54464131
0.00026737 0.00005797 -0.00188657
-0.00791668 0.01246179 -0.02017777
17.08521595 8.01229054 -7.85957278
-0.00028767 -0.00080028 -0.00086873
-0.02450827 0.00733152 0.00007778
15.68859429 10.59499361 -6.71675722
-0.00149525 0.00012274 0.00106845
0.00171506 -0.02250945 -0.00527963
-7.18799466 0.78586716 11.13156853
-0.00105731 0.00108419 -0.00021707
0.00886972 0.00363170 -0.00250260
-8.03733448 1.36978753 13.86394774
0.00070981 -0.00079333 -0.00009163
0.00861171 0.00836934 -0.00131744
-2.36474493 -16.70828701 14.16577793
-0.00119602 0.00010418 0.00019879
0.00163382 -0.00648843 0.00907878
-4.70603616 -17.47897196 12.39868449
0.00090633 0.00048245 0.00061690
-0.01781470 -0.03604930 -0.00239619
7.01634443 -6.11914553 -4.49893751
0.00105395 0.00030846 -0.00036681
0.00221967 -0.01446119 -0.01869037
5.49970982 -7.83645673 -6.39594210
0.00020553 0.00031334 -0.00064617
-0.00433805 0.00105229 0.00629397
-2.79169851 -11.47059931 2.03518439
-0.00045975 -0.00008588 -0.00044137
-0.00990370 -0.00064642 0.00306232
-0.36189251 -10.13537570 1.96405858
-0.00002602 0.00016699 -0.00085507
0.01275105 0.01780091 0.01447551
-14.65996753 -0.76686540 6.17709018
0.00033730 0.00064400 0.00091028
-0.01692242 -0.01327484 -0.01624020
-15.79738239 -1.87627249 3.59502576
0.00060896 0.00032128 -0.00008810
0.00322130 0.00812708 0.01737270
-9.54147287 4.58342937 -23.59971716
-0.00011908 -0.00014617 -0.00087213
-0.00182186 -0.00105095 0.00600207
-8.97845293 4.42812165 -20.54594043
-0.00001424 0.00031250 -0.00015186
-0.00562673 -0.01281104 -0.03539333
2.19288750 0.90045907 -3.26086703
0.00035253 -0.00104949 -0.00017783
-0.01668583 -0.00499347 0.03702841
0.66489029 0.38662179 -0.47856054
-0.00090626 -0.00052839 0.00042444
-0.03256103 -0.02103709 0.00300600
14.11756848 9.33629602 3.37302799
0.00028959 0.00007335 -0.00059477
-0.01966247 -0.00532425 0.00782573
11.43437814 8.81075024 2.42477331
0.00035130 -0.00018459 -0.00075262
-0.02593052 0.01568753 -0.03717140
5.39936904 -9.26063106 -10.55908141
-0.00007623 -0.00015059 0.00000248
0.00006656 0.00765011 -0.01049838
-12.98770547 10.40355625 21.27176509
0.00009746 -0.00003358 0.00010015
0.00718281 -0.00089963 -0.00356026
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06643025
0.31014118
413.24756845
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 3.322 s
total exchange = -52.3753497382 (a.u.)
total exchange computation time: 3.2901952267 s
-154.1754312764
-931.37739977
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 3.320 s
total exchange = -52.3749289086 (a.u.)
total exchange computation time: 3.2881791592 s
-154.1796559447
Anderson extrapolation: theta=1.3392890055 (1.3392890055)
-931.37764929
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 3.320 s
total exchange = -52.3742863627 (a.u.)
total exchange computation time: 3.2878570557 s
-154.1859209449
Anderson extrapolation: theta=0.0508248860 (0.0508248860)
-931.37779672
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 3.319 s
total exchange = -52.3741901436 (a.u.)
total exchange computation time: 3.2898712158 s
-154.1867938648
Anderson extrapolation: theta=1.8801641654 (1.8801641654)
-931.37780204
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 3.324 s
total exchange = -52.3739893050 (a.u.)
total exchange computation time: 3.2882537842 s
-154.1885910979
Anderson extrapolation: theta=0.2203153520 (0.2203153520)
-931.37780748
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 3.317 s
total exchange = -52.3739397302 (a.u.)
total exchange computation time: 3.2886509895 s
-154.1890156720
Anderson extrapolation: theta=1.8523928318 (1.8523928318)
-931.37780850
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 3.322 s
total exchange = -52.3738646014 (a.u.)
total exchange computation time: 3.2876009941 s
-154.1896397803
Anderson extrapolation: theta=0.2902611824 (0.2902611824)
-931.37780973
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 3.230 s
total exchange = -52.3738601035 (a.u.)
total exchange computation time: 3.2880918980 s
-154.1896578248
Anderson extrapolation: theta=1.2964042411 (1.2964042411)
-931.37781002
238.314801 30.846333 202.474200
-142.314911 489.936009 -805.825131
95.999890 520.782343 -603.350931
802.784263
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704215116
ExchangeOperator: pair fraction: ispin=0: 0.1849432125
ExchangeOperator: bisection time: 3.315 s
total exchange = -52.3738673194 (a.u.)
total exchange computation time: 3.2894518375 s
678.94244142
-1083.66347458
89.72888848
-389.18499399
-174.82680421
78.26067047
551.60419304
0.00000000
-931.37781020
-8.74905475 -3.95232781 3.64738032
0.00041508 -0.00011470 0.00003233
0.04886605 -0.00742584 0.00238369
-17.82055817 4.35412498 6.46368512
0.00006829 -0.00028841 -0.00010650
0.02764820 0.03188489 0.02205817
-15.54835109 -0.87606046 0.38075708
-0.00005227 -0.00027841 -0.00036907
0.00900399 -0.02569580 0.00551526
3.13227454 -20.58123479 15.50540896
-0.00035168 0.00021708 -0.00015620
0.02227472 -0.02060978 0.00750020
7.70815318 16.00946405 -1.28603430
0.00034456 0.00006324 0.00017421
0.00969791 -0.01216277 -0.02823472
-9.90669916 9.45326075 11.04744332
-0.00019312 -0.00017345 -0.00016826
-0.01324495 0.03257888 0.01045977
-8.33786351 -0.45126564 -14.31869656
-0.00006618 0.00016503 -0.00004721
0.03613553 0.01274930 0.03818390
-10.79320442 2.37376480 -6.98835708
0.00005876 0.00010998 0.00012883
-0.00489397 0.01774885 0.01050386
-0.36184188 -5.73548386 15.37479462
-0.00018584 0.00006444 0.00043294
0.00296425 0.00113073 -0.02810379
-25.72074475 -0.72846006 -20.68682240
-0.00027628 -0.00005512 0.00014317
-0.00059167 0.01863027 -0.02139123
8.88038551 7.50943984 7.85225778
-0.00001596 -0.00005287 -0.00005518
-0.00511103 -0.00649784 -0.02084762
20.83135292 28.62158171 -5.04051778
0.00021109 -0.00030661 -0.00008770
-0.00263723 0.00909777 0.02199873
7.72169892 -1.55279367 -7.25643621
-0.00006995 -0.00009114 -0.00007422
-0.03477892 0.01536758 -0.00012879
-9.24801178 -3.46798642 13.54400731
0.00001823 0.00005486 0.00015475
0.00555616 0.00839847 -0.02907138
-1.26776367 -22.71512421 14.01000904
0.00001182 0.00015038 0.00028986
0.00739547 0.01391362 -0.00102801
-11.03050322 -8.67388766 -8.09316394
0.00017147 0.00006154 0.00020234
0.02229994 0.05620998 -0.02429979
-15.90425030 -8.59291365 -15.51043163
-0.00002225 -0.00011039 -0.00005712
-0.00015565 0.04824950 0.00442005
16.84996418 12.75057076 3.60129582
0.00045325 0.00013126 0.00007233
0.00270495 0.00505629 -0.00957167
20.13329782 -4.60438793 -14.77536220
-0.00029383 -0.00013486 -0.00009747
-0.01755330 -0.02059570 0.00180105
-0.36371728 8.15043773 -14.91066304
0.00025611 -0.00000341 0.00000364
-0.00721839 -0.00709955 0.01041757
0.63071991 -0.55939209 -16.97962081
-0.00007642 0.00044176 -0.00019478
-0.00651328 0.01471403 0.01760962
11.91070234 20.91664945 -23.18504709
0.00032184 -0.00031622 -0.00005810
0.05245778 0.01885769 0.02336107
-11.32438194 15.22141193 -16.29370692
-0.00012799 -0.00013680 -0.00004709
0.01587872 -0.00039358 0.01007918
4.59642907 17.65838697 10.66639584
0.00029215 0.00019072 -0.00038772
0.04059206 -0.03812698 -0.02159836
-2.19248221 -11.08007034 -3.53675302
-0.00000126 -0.00001731 -0.00009937
0.09135804 -0.03482441 0.01526315
1.30126594 -8.14768047 3.84989623
0.00006991 0.00005615 0.00031991
-0.00139204 0.01206206 0.02466120
9.58650465 2.08127612 8.26872665
-0.00008796 0.00034586 0.00009285
-0.00468974 -0.02836792 0.00233309
-6.95059903 -9.17061255 -3.06524218
-0.00001512 0.00041590 -0.00006461
-0.00171522 0.03045798 -0.03660919
3.85298115 -12.26395346 -13.12204579
-0.00018396 0.00027638 -0.00029949
0.00567970 -0.02919240 0.01287341
1.24840222 -4.53251092 -0.88117464
0.00005840 0.00019020 0.00012562
-0.00846694 0.00945007 -0.00657233
17.16152984 4.52530495 27.06379205
0.00042183 0.00013679 -0.00032957
-0.00094213 -0.01537291 0.00816738
-9.70617369 6.07052003 -4.32621446
-0.00028480 -0.00006131 0.00047066
-0.00874089 -0.03337004 0.02096216
-4.79465979 14.93713535 -9.31715213
0.00031218 0.00000688 -0.00016794
-0.00083126 0.00008922 0.00634142
2.95347413 12.22060392 -6.90104595
-0.00016571 0.00012792 -0.00010128
-0.02696046 0.00231900 0.01780661
-4.11552111 11.96163174 -13.73088600
0.00027927 0.00014129 0.00007495
0.00491219 -0.00747584 0.00289839
3.85859772 7.30771008 17.30358244
-0.00002261 0.00014235 -0.00016783
-0.00750613 -0.00678976 0.02028583
-15.49187145 8.66686775 -9.11932698
-0.00056647 -0.00010682 -0.00008110
0.03209394 0.00286921 0.00307230
3.75574143 9.20441912 0.57321772
-0.00003673 -0.00002636 0.00016628
-0.00020190 0.06014604 0.01052785
15.86748065 -24.05386170 -26.67758995
0.00010318 -0.00008405 0.00000103
-0.00021854 -0.01736523 -0.03158152
5.68270854 4.16166521 0.25329562
-0.00010549 -0.00007322 0.00024035
-0.01124206 -0.02711079 -0.01465208
17.26897216 -5.30340594 0.21692767
0.00017183 -0.00016354 -0.00027164
0.01336195 -0.00064832 0.02595901
-4.76327760 2.40579794 -2.39748105
-0.00026210 -0.00004923 0.00033768
-0.02683763 0.02345925 0.01024781
0.77715440 2.53127062 -11.91592259
-0.00020168 0.00005862 0.00013361
-0.01557400 -0.01637027 0.00303760
15.40033062 8.83876865 -7.27666454
0.00001162 0.00001276 0.00036863
0.02235842 0.01709226 0.00401550
-6.49815502 1.03866492 12.82437530
-0.00040405 0.00021629 0.00022326
-0.00966596 -0.00250156 -0.00918543
-3.58102944 -16.22555724 12.89851892
-0.00015824 -0.00013343 -0.00000821
0.02198998 0.05191986 -0.01417094
7.01192910 -6.76499737 -6.30979819
-0.00026818 0.00035620 -0.00022953
-0.00305527 0.01308235 0.02381378
-1.10997141 -11.65306572 1.32947078
-0.00000894 -0.00021000 -0.00042026
-0.01559872 -0.01678409 -0.01319161
-16.05804711 -1.79538829 5.47855493
0.00028965 -0.00009379 0.00051378
0.01402892 0.00918043 -0.00355769
-9.23006323 3.42414989 -22.16718323
-0.00016632 -0.00029012 -0.00027986
0.01042503 0.02701887 0.03493114
1.98547239 1.11230486 -1.36533651
-0.00021439 -0.00010179 -0.00022083
0.03952128 0.02659712 -0.04103182
12.52396973 8.45014039 3.75755103
0.00011260 -0.00030294 -0.00006420
0.04118910 -0.00709447 0.02191935
-7.10743672 -4.50404152 2.82335888
-0.00058863 0.00003451 0.00123516
-0.03010533 0.01659404 -0.00463753
-10.04996004 -3.88531080 2.40212300
-0.00042406 0.00006841 -0.00010967
-0.00131130 0.01206666 -0.02228409
-16.40114193 5.59686882 6.77835769
0.00063882 -0.00039092 -0.00029413
-0.02526953 -0.01531771 0.00211299
-17.26604267 3.65483089 4.91973034
-0.00018332 0.00006850 -0.00081439
0.00105906 -0.01407980 -0.02288319
-16.11042044 0.86055548 0.58702873
0.00055907 0.00106342 0.00024229
-0.00449353 0.00198413 -0.00749898
-16.79014412 -1.92799351 -0.47685356
0.00152060 0.00057933 0.00006373
-0.00125267 0.01790715 0.00241003
1.48397065 -21.23159261 14.98157105
-0.00094943 -0.00034467 0.00031437
-0.00842470 0.02174254 0.00507411
3.38927990 -18.85074489 16.04330152
-0.00023647 -0.00037484 0.00020353
-0.01404721 0.00105728 -0.00809250
8.06960380 14.18218776 -1.22511654
-0.00014011 -0.00036796 -0.00015431
0.00481500 0.00022102 0.00012678
7.07415198 16.36150228 0.32276369
-0.00089071 0.00019304 -0.00032077
-0.01205273 0.00989904 0.02773096
-8.64181817 9.42465133 12.44325244
-0.00051711 -0.00111725 0.00004326
-0.00754347 -0.01151127 -0.00426210
-10.82473800 11.07176537 11.46518713
-0.00058894 0.00007731 -0.00022391
0.01910394 -0.02406799 -0.00518467
-9.92656233 0.33023331 -14.49609124
-0.00079126 0.00043780 0.00013275
-0.03115732 0.01122525 -0.00420948
-8.13132941 -1.68773373 -15.55279759
-0.00020016 0.00054619 -0.00169810
-0.00249772 -0.02328367 -0.03077937
-12.06451125 1.10088381 -6.91566015
-0.00018746 -0.00083970 0.00027299
-0.01271595 -0.01390865 0.00001258
-11.26191743 3.72614321 -5.73312357
0.00010652 0.00026094 -0.00011193
0.01882730 -0.02041670 -0.02319818
-1.94920178 -6.42590409 14.73011841
-0.00042659 -0.00051067 0.00008523
-0.00413647 0.00310800 -0.00123295
-0.44991230 -5.67857164 17.14611608
-0.00012606 -0.00036085 -0.00018440
-0.00192482 -0.00328723 0.03130851
-24.65989890 -0.36187556 -19.27730511
0.00065687 0.00032546 -0.00132348
0.01481477 0.00160716 0.01010195
-25.66651206 0.74413639 -21.87717997
-0.00053297 -0.00124939 -0.00033556
-0.00789015 -0.01480793 0.00667484
9.62564102 8.23519453 6.31174303
0.00079699 -0.00115527 -0.00079300
0.00450273 -0.00512496 0.01686025
10.02012069 7.92824039 9.23803321
0.00019974 0.00023770 0.00012306
0.00758066 0.00324197 -0.00349857
19.84347082 27.55109214 -3.87056621
-0.00000735 -0.00011381 0.00057366
0.00653578 0.00879744 -0.00800283
20.37901073 30.48004727 -4.62160369
0.00037167 0.00012971 -0.00060259
0.00212952 -0.02310177 -0.00177197
5.89978581 -0.90256923 -7.23318662
-0.00051778 -0.00000120 -0.00059779
0.04214710 -0.01175050 0.00058392
7.62038638 -3.37500826 -7.07865573
0.00058545 0.00048306 0.00021896
-0.01054247 0.00074131 0.00009998
-8.57952371 -2.16750693 12.30313907
0.00089846 0.00011486 0.00006828
-0.01571960 -0.02545769 0.02329704
-11.08852334 -3.44318185 13.43117091
0.00065830 -0.00064045 0.00070895
0.00857170 0.01391101 0.00059198
-1.00768002 -24.24093983 14.94555460
0.00063807 -0.00032777 -0.00067360
-0.00274301 -0.01987999 0.00099961
-3.00096389 -22.18353336 14.23440733
0.00038203 -0.00042145 0.00058641
-0.00604356 -0.00099109 -0.00401988
-12.67244428 -8.23848611 -7.27915024
-0.00004485 -0.00012425 -0.00085340
0.00967433 0.00430635 -0.00047127
-10.33463731 -6.91108023 -8.76820721
-0.00077754 -0.00019046 0.00186122
-0.02332112 -0.06060694 0.02496421
-16.14125598 -10.27988391 -15.86047745
0.00032276 0.00007491 0.00068433
-0.00450845 -0.05175711 -0.00218160
-14.25015552 -8.10637919 -16.20102971
-0.00010123 0.00030661 0.00012268
0.00157440 0.00345894 0.00153235
17.35975347 12.91641089 5.36363410
0.00017532 -0.00004783 -0.00006062
-0.00485879 -0.00441327 0.00357757
17.10666080 14.38846963 2.79898491
-0.00046218 0.00072897 -0.00012046
0.00160706 -0.00753981 -0.00040291
18.32157184 -4.47184645 -14.97810424
-0.00022871 -0.00078851 0.00034709
0.00510230 -0.00338660 0.00353186
20.72575636 -3.01872015 -15.37464082
0.00009692 0.00100895 -0.00036038
0.01631017 0.01897019 -0.00938109
-0.64882579 6.79815339 -13.70413775
0.00154649 -0.00100706 -0.00029639
-0.00366046 0.00237340 0.00371749
-0.19415313 7.21425214 -16.44512065
-0.00078746 0.00035803 -0.00108854
0.00070026 -0.00031064 -0.01403174
0.70533222 0.64456634 -15.55791946
-0.00036840 0.00017056 -0.00018809
-0.00421278 -0.00305802 -0.00697518
2.38440645 -1.04473038 -17.07714016
-0.00125795 0.00008172 0.00073851
0.01028344 -0.00576339 -0.00391421
12.55165162 22.51873402 -22.21056192
0.00025611 -0.00012612 -0.00001485
-0.03211567 -0.03626456 -0.03151070
10.13046718 20.92049501 -23.34412016
0.00082409 -0.00032539 -0.00023852
-0.02296214 0.00949509 0.00372263
-9.95675338 16.07194103 -17.41463785
-0.00046565 -0.00001322 -0.00045496
-0.02325804 -0.01043051 0.02624703
-10.84441731 15.64779577 -14.55872526
-0.00034435 0.00059184 -0.00074949
-0.00518270 -0.00410248 -0.01748487
3.40897438 18.68833034 11.34152807
0.00067399 -0.00015069 0.00020477
-0.05083315 0.03622690 0.03791731
4.72393442 18.36615713 9.01094674
-0.00007425 0.00029611 -0.00042427
0.01057652 -0.00403453 -0.01889465
-3.80842397 -10.54082990 -3.35034989
0.00008249 -0.00013920 0.00036605
-0.06930969 0.02620555 0.00793343
-1.49514654 -11.39724379 -1.73193484
-0.00137514 0.00061018 0.00054783
-0.01852367 0.00944934 -0.02686907
0.09164953 -7.41358941 5.05516494
-0.00003999 -0.00044711 -0.00009473
0.00230632 0.00220715 -0.01104264
2.73074968 -8.45035669 4.99517484
0.00089866 -0.00025368 0.00101167
0.00424389 0.00155663 -0.01063316
7.84060315 1.87167950 8.72342086
-0.00051969 0.00000421 -0.00107348
-0.00151399 0.00323177 0.00408150
9.73131151 3.80966042 7.83873560
-0.00013794 0.00056520 0.00119394
0.00000372 0.03128813 -0.00523008
-8.12276088 -8.48960500 -4.37779153
-0.00060266 -0.00000975 0.00081936
0.01239108 -0.01374283 0.02201404
-7.91937668 -10.19483048 -1.98302517
-0.00036708 0.00026447 -0.00080050
-0.02402895 -0.01429128 0.01421368
4.70549197 -13.56485462 -12.05868592
0.00007293 0.00010365 -0.00009894
-0.00661928 0.02020844 -0.01383265
2.40909086 -13.16941501 -13.84204804
-0.00008102 0.00045427 -0.00015837
-0.00143380 0.00737843 -0.00223553
1.30636037 -5.86613612 0.31563836
0.00030056 -0.00032291 0.00094520
0.01102882 -0.02026249 0.01263406
-0.29542604 -3.77065562 -0.28166493
-0.00009404 -0.00031228 -0.00029156
-0.00280660 0.00882435 -0.00441487
17.42191354 3.30510817 25.71802925
-0.00017688 -0.00024303 -0.00031165
-0.00171821 0.00323830 0.00579999
16.67899008 3.46978491 28.51646225
-0.00020333 -0.00003372 0.00090467
0.00252659 0.00935691 -0.01490730
-10.76006201 7.26453137 -3.54659190
0.00063724 0.00071057 0.00054181
-0.01701400 0.03380314 0.01039201
-8.32279452 6.86375389 -5.16544115
-0.00009687 0.00020153 0.00057686
0.01386928 0.01984056 -0.01546449
-6.31836630 15.91144095 -9.09678642
0.00019553 -0.00000045 0.00016207
0.00135604 0.00187084 -0.00285290
-4.69615511 14.42002491 -11.07607508
0.00063381 0.00000623 -0.00039441
0.00327430 -0.00268893 0.00106098
2.71722583 10.94900511 -5.52192406
-0.00001010 0.00025406 0.00029308
0.00550797 0.01476605 -0.02456392
1.34276878 13.21926947 -7.00409649
-0.00029034 0.00065319 0.00002179
0.02315469 -0.00925967 0.00637020
-2.48310495 11.15420529 -14.18670076
-0.00079494 0.00024218 0.00062102
-0.02050962 -0.00309213 0.00985906
-5.28265196 10.64957606 -13.11906064
0.00043096 0.00040514 0.00011788
0.01419923 0.00769549 -0.00912087
4.59761071 7.47384342 18.99349715
0.00083731 -0.00080786 0.00021490
-0.00064916 0.00096269 -0.00653972
2.09484413 6.80103898 17.68530555
-0.00008966 -0.00051006 0.00056906
0.00357003 0.00507028 -0.00903330
-13.63742185 8.53135088 -8.96313393
0.00066594 -0.00083292 0.00030750
-0.01735151 -0.00215176 -0.00429656
-16.12064923 8.45298724 -7.42049138
0.00104466 -0.00007296 0.00001171
-0.00825862 -0.00531024 0.00378325
5.11945446 10.51929791 0.69993280
0.00142096 0.00038822 0.00055957
-0.00451761 -0.03260390 -0.00796184
2.32002516 10.39693575 0.88947392
-0.00043962 0.00000982 -0.00108811
0.01413534 -0.03841367 -0.00433245
14.38950776 -23.75591181 -25.62296441
-0.00001735 0.00005904 0.00008419
-0.00922849 -0.00209166 0.00309948
15.16863383 -24.71546304 -28.31989373
0.00024702 -0.00151437 -0.00016510
0.00627887 0.01352768 0.03256322
4.00597661 3.68328698 -0.45984417
-0.00132670 0.00084435 0.00115882
0.01432776 0.00465577 0.01104864
5.50342311 5.74911141 1.04633307
0.00081824 0.00001993 0.00106398
-0.00635618 0.02287386 0.00681758
17.72616463 -3.70093236 -0.48745420
0.00116188 0.00027579 0.00014527
0.00062425 0.01293903 0.00489907
16.17968962 -6.02083208 -0.97707095
-0.00027684 0.00116047 -0.00048836
-0.01885939 -0.02096042 -0.02629977
-6.58924618 2.85238974 -1.78046243
0.00054792 -0.00027159 -0.00025249
0.04665179 -0.01422938 -0.01243230
-4.93004571 1.30583125 -3.87109491
0.00019982 0.00058858 0.00059334
-0.00784489 -0.00203523 0.01038199
2.49106927 2.88166118 -11.56223038
0.00015789 0.00042007 -0.00127490
0.02084225 0.00940913 -0.00350251
0.37375188 1.31472570 -10.57355815
0.00023225 0.00009658 -0.00195248
-0.00927451 0.00643958 -0.01208541
17.08014990 8.00051105 -7.87260128
-0.00038816 -0.00076656 -0.00086599
-0.02468422 0.00917071 0.00126220
15.66621812 10.59614490 -6.70089225
-0.00148514 0.00002936 0.00104534
0.00323276 -0.02319731 -0.00603292
-7.20358256 0.80224130 11.12823580
-0.00101770 0.00109970 -0.00022043
0.01051952 0.00395996 0.00085566
-8.02642351 1.35814400 13.86253288
0.00073349 -0.00075614 -0.00008837
0.00298167 0.00983884 0.00291626
-2.38263517 -16.70692306 14.16903799
-0.00118179 0.00007607 0.00024279
0.00533284 -0.00727316 0.01245848
-4.69298717 -17.47283980 12.40786453
0.00081687 0.00031766 0.00059929
-0.02597491 -0.04461902 -0.00622134
7.03222168 -6.11496170 -4.50501241
0.00106035 0.00024891 -0.00044157
0.00091536 -0.01468868 -0.01790594
5.50265983 -7.83172436 -6.40544180
0.00018384 0.00031588 -0.00061846
-0.00627868 0.00019048 0.00727015
-2.79889823 -11.47190733 2.02865765
-0.00049387 -0.00008828 -0.00043050
-0.00679650 -0.00053012 0.00226175
-0.36189215 -10.13232533 1.95167614
0.00002423 0.00023709 -0.00079641
0.01184722 0.01651415 0.01424029
-14.65542661 -0.75761226 6.19024668
0.00026325 0.00058537 0.00084080
-0.01932704 -0.01542082 -0.01777008
-15.78814926 -1.87120421 3.59423663
0.00062065 0.00035457 -0.00001097
0.00250131 0.00816811 0.02038157
-9.54331494 4.58120457 -23.61261520
-0.00012526 -0.00015438 -0.00084331
-0.00120273 -0.00296394 0.00810620
-8.97883895 4.43241654 -20.54930295
-0.00003790 0.00025751 -0.00029977
-0.00595639 -0.01410529 -0.03700854
2.19766417 0.88456364 -3.26239976
0.00028389 -0.00106907 -0.00002627
-0.01691560 -0.00458889 0.03715927
0.65029856 0.37805129 -0.47210186
-0.00102223 -0.00060577 0.00042559
-0.02420476 -0.01684208 -0.00244194
14.12130975 9.33723304 3.36434628
0.00020548 0.00004883 -0.00056052
-0.02150592 -0.00667807 0.00893964
11.43885310 8.80846212 2.41234499
0.00025023 -0.00012278 -0.00089735
-0.02354481 0.01456697 -0.03367469
5.39822578 -9.26286931 -10.55907235
-0.00007623 -0.00014784 -0.00000128
-0.00007583 0.00768157 -0.01051127
-12.98623111 10.40305105 21.27326109
0.00009913 -0.00003378 0.00009932
0.00725901 -0.00088721 -0.00356969
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06640331
0.31140689
414.93407428
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1846403461
ExchangeOperator: bisection time: 4.768 s
total exchange = -52.3678519697 (a.u.)
total exchange computation time: 3.3586759567 s
-154.1495606413
-931.37858289
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1846403461
ExchangeOperator: bisection time: 4.679 s
total exchange = -52.3675455228 (a.u.)
total exchange computation time: 3.3577389717 s
-154.1531651289
Anderson extrapolation: theta=1.3826916933 (1.3826916933)
-931.37884664
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1846403461
ExchangeOperator: bisection time: 4.674 s
total exchange = -52.3670695830 (a.u.)
total exchange computation time: 3.3583819866 s
-154.1585887210
Anderson extrapolation: theta=0.0662170693 (0.0662170693)
-931.37901063
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1846403461
ExchangeOperator: bisection time: 4.677 s
total exchange = -52.3669984694 (a.u.)
total exchange computation time: 3.3598790169 s
-154.1593470534
Anderson extrapolation: theta=2.1556062933 (2.0000000000)
-931.37901874
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1846403461
ExchangeOperator: bisection time: 4.671 s
total exchange = -52.3668524081 (a.u.)
total exchange computation time: 3.3576159477 s
-154.1608883469
Anderson extrapolation: theta=0.3155915761 (0.3155915761)
-931.37902807
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1846403461
ExchangeOperator: bisection time: 4.677 s
total exchange = -52.3668166730 (a.u.)
total exchange computation time: 3.3585531712 s
-154.1612680310
Anderson extrapolation: theta=1.2857804207 (1.2857804207)
-931.37902996
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1846403461
ExchangeOperator: bisection time: 4.588 s
total exchange = -52.3667937939 (a.u.)
total exchange computation time: 3.3568160534 s
-154.1615328833
Anderson extrapolation: theta=0.4080719319 (0.4080719319)
-931.37903128
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1846403461
ExchangeOperator: bisection time: 4.583 s
total exchange = -52.3668061803 (a.u.)
total exchange computation time: 3.3580060005 s
-154.1614344488
Anderson extrapolation: theta=1.0082963824 (1.0082963824)
-931.37903156
238.348421 30.854986 158.075422
-142.324027 489.944898 -805.858570
96.024393 520.799883 -647.783148
836.705569
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1846403461
ExchangeOperator: bisection time: 4.764 s
total exchange = -52.3668333197 (a.u.)
total exchange computation time: 3.3574979305 s
678.84420878
-1083.44100214
89.73086542
-389.33675138
-174.80951891
78.13668576
551.60419304
0.00000000
-931.37903154
-8.74263998 -3.95407697 3.64787446
0.00043725 -0.00011786 0.00003357
0.03732394 -0.00486447 0.00243423
-17.81942715 4.34992189 6.46217266
0.00008316 -0.00027223 -0.00009599
0.03018305 0.03099852 0.01883302
-15.54910033 -0.88033571 0.37524232
-0.00004566 -0.00028771 -0.00036415
0.01669891 -0.01048249 0.01361909
3.12708528 -20.57805807 15.50309482
-0.00034110 0.00020522 -0.00015295
0.01886002 -0.02552141 0.00516944
7.71335900 16.01036573 -1.28353011
0.00034966 0.00005657 0.00015980
0.01011354 -0.01378346 -0.02780256
-9.90964710 9.45078465 11.04495982
-0.00020032 -0.00015647 -0.00016289
-0.01475639 0.03346456 0.01039454
-8.33871686 -0.44874096 -14.31925737
-0.00004885 0.00017067 -0.00002935
0.03124483 0.00916882 0.03124578
-10.79234190 2.37548292 -6.98638410
0.00005504 0.00011778 0.00013420
-0.00956934 0.01260882 0.01039245
-0.36461809 -5.73451287 15.38118032
-0.00018505 0.00006465 0.00041676
0.00012326 -0.00032804 -0.03480483
-25.72489119 -0.72921504 -20.68475731
-0.00027714 -0.00004651 0.00013192
-0.00275357 0.01488340 -0.02237878
8.88012635 7.50862170 7.85134967
-0.00001794 -0.00005588 -0.00006617
-0.00256771 -0.00518570 -0.02190300
20.83450917 28.61701767 -5.04174842
0.00020932 -0.00030203 -0.00007602
-0.00425484 0.00870834 0.02342887
7.72051551 -1.55410144 -7.25755007
-0.00008811 -0.00008191 -0.00007444
-0.03585469 0.02049375 -0.00070474
-9.24771691 -3.46713115 13.54621641
0.00002278 0.00005924 0.00013981
0.01215693 0.00864175 -0.02901156
-1.26755792 -22.71281483 14.01435299
0.00001656 0.00015721 0.00028921
0.01105709 0.01263815 -0.00150674
-11.02784518 -8.67274770 -8.09022254
0.00018263 0.00008961 0.00019026
0.02108548 0.05292364 -0.02267613
-15.90458464 -8.59438331 -15.51127141
-0.00002240 -0.00008484 -0.00005471
-0.00043636 0.05109305 0.00494303
16.85677330 12.75255922 3.60234384
0.00045453 0.00013447 0.00006663
0.00230309 0.00741176 -0.01257535
20.12882265 -4.60649031 -14.77681724
-0.00030146 -0.00014325 -0.00009731
-0.01213366 -0.01202859 -0.00118153
-0.35990351 8.15035913 -14.91056827
0.00025239 -0.00000829 0.00000819
-0.00724507 -0.01187550 0.00729204
0.62954852 -0.55270891 -16.98247456
-0.00008181 0.00044966 -0.00018576
-0.01445310 0.01598444 0.01746641
11.91573224 20.91197882 -23.18582841
0.00034974 -0.00030654 -0.00004592
0.05605651 0.01879463 0.02397198
-11.32624050 15.21935836 -16.29437436
-0.00012005 -0.00013716 -0.00004303
0.01499113 -0.00097573 0.00568560
4.60096794 17.66110074 10.66049673
0.00031319 0.00017098 -0.00039911
0.04122961 -0.03862985 -0.02271256
-2.19214876 -11.08046426 -3.53818465
0.00004498 -0.00003492 -0.00009129
0.08847721 -0.03367638 0.01612877
1.30230923 -8.14679175 3.85479004
0.00007104 0.00006167 0.00033306
0.00580184 0.00942657 0.02648070
9.58516715 2.08635459 8.27012847
-0.00009060 0.00033117 0.00009409
-0.00556064 -0.02876382 0.00248283
-6.95083249 -9.16425650 -3.06635253
-0.00001590 0.00043130 -0.00008305
-0.00131018 0.02941833 -0.03510918
3.85024371 -12.25992040 -13.12648851
-0.00018041 0.00026129 -0.00029241
0.00809400 -0.02946354 0.01464755
1.24924554 -4.52962140 -0.87931573
0.00005452 0.00019327 0.00012347
-0.00660988 0.00247978 -0.00179156
17.16785369 4.52729756 27.05888006
0.00042085 0.00012772 -0.00032395
-0.00286620 -0.01992218 0.01366752
-9.71047946 6.06947163 -4.31907364
-0.00028883 -0.00007758 0.00048141
-0.00690919 -0.02990766 0.02081689
-4.78998022 14.93723896 -9.31964676
0.00031167 0.00000695 -0.00016495
-0.00118425 0.00015459 0.00530153
2.95088452 12.22253164 -6.90249650
-0.00017990 0.00012930 -0.00009205
-0.02822259 0.00304483 0.01809162
-4.11131314 11.96372227 -13.72975058
0.00028046 0.00013843 0.00007676
-0.00029065 -0.00366341 0.00413744
3.85822957 7.30981917 17.30114323
-0.00002653 0.00013872 -0.00015623
-0.00772349 -0.00733525 0.02482338
-15.50024463 8.66527646 -9.12053166
-0.00054731 -0.00010548 -0.00007993
0.04238432 0.00234197 0.00148321
3.75518968 9.20425579 0.57575256
-0.00003544 0.00000557 0.00017172
0.00520919 0.06401713 0.01060088
15.86902752 -24.05518944 -26.67769638
0.00010269 -0.00009327 -0.00001559
-0.00170869 -0.01848153 -0.03304758
5.68108277 4.16046231 0.25684431
-0.00011216 -0.00008651 0.00023301
-0.01468737 -0.02458101 -0.01386599
17.27160112 -5.30586161 0.21295325
0.00017907 -0.00016306 -0.00025870
0.01479108 0.00253863 0.02432979
-4.76731258 2.40515005 -2.39237626
-0.00027479 -0.00003678 0.00034335
-0.02250976 0.02494496 0.01177901
0.77406908 2.53208676 -11.91390674
-0.00020870 0.00005229 0.00013289
-0.01172313 -0.00825127 -0.00583752
15.40059111 8.83902592 -7.27111961
0.00002266 0.00002108 0.00037054
0.02057467 0.01525725 0.00342264
-6.50425300 1.04189969 12.82768876
-0.00040778 0.00021449 0.00021649
-0.00484671 -0.00451759 -0.01714310
-3.58331827 -16.22735848 12.89834109
-0.00014605 -0.00010461 -0.00001541
0.02542426 0.06017671 -0.01381272
7.00789454 -6.75960391 -6.31314922
-0.00026897 0.00036310 -0.00021779
-0.00001650 0.01375465 0.02183729
-1.11016573 -11.65628045 1.32311602
-0.00001751 -0.00021802 -0.00042654
-0.01771438 -0.01439630 -0.01122309
-16.05364824 -1.79675972 5.48624790
0.00029749 -0.00008865 0.00051149
0.01646868 0.01080315 -0.00534759
-9.23251784 3.41990234 -22.17124643
-0.00016108 -0.00027560 -0.00026213
0.00994841 0.02943217 0.03401996
1.98240901 1.11088060 -1.36880722
-0.00019626 -0.00008924 -0.00024022
0.03097351 0.02220203 -0.03436918
12.52581765 8.44556888 3.75667257
0.00013319 -0.00030594 -0.00005440
0.03885667 -0.00457874 0.01619780
-7.11718873 -4.50301537 2.84174411
-0.00069857 0.00009798 0.00120847
-0.02370776 0.01447562 -0.00842441
-10.05636110 -3.88391488 2.39979503
-0.00041932 0.00011721 -0.00019277
0.00362971 0.01181846 -0.01839240
-16.39233400 5.59053557 6.77401045
0.00053329 -0.00045476 -0.00028548
-0.02638554 -0.01593097 0.00212021
-17.26876003 3.65542701 4.90681334
-0.00018183 0.00001410 -0.00090092
-0.00032943 -0.01255267 -0.01947437
-16.10217214 0.87656755 0.59043329
0.00054471 0.00105616 0.00020882
-0.00253443 -0.00553760 -0.00888367
-16.76737352 -1.91875477 -0.47582376
0.00149592 0.00063782 0.00006060
-0.01082721 0.01072250 -0.00394236
1.46947107 -21.23609633 14.98644205
-0.00097732 -0.00025268 0.00033691
-0.00522859 0.02328479 0.00596307
3.38530236 -18.85633517 16.04610642
-0.00029338 -0.00036407 0.00017263
-0.01380799 0.00421889 -0.00703325
8.06764965 14.17667511 -1.22742728
-0.00012147 -0.00036249 -0.00015280
0.00430856 0.00245712 0.00061033
7.06042203 16.36470120 0.31880192
-0.00093971 0.00023223 -0.00020951
-0.01193258 0.00928630 0.02672872
-8.64980599 9.40753981 12.44377077
-0.00054756 -0.00116237 0.00002687
-0.00736115 -0.01057282 -0.00376222
-10.83298671 11.07218752 11.46166957
-0.00050763 -0.00002423 -0.00024509
0.02069594 -0.02563902 -0.00518313
-9.93938601 0.33714435 -14.49422899
-0.00090643 0.00047815 0.00011726
-0.02521783 0.00852264 -0.00337388
-8.13440841 -1.68025437 -15.57921220
-0.00021213 0.00046402 -0.00181119
-0.00336165 -0.01693836 -0.02458165
-12.06771284 1.08786206 -6.91156498
-0.00022958 -0.00088526 0.00027305
-0.00790126 -0.00839029 0.00001942
-11.25974264 3.72943168 -5.73551343
0.00018144 0.00017615 -0.00020654
0.01784600 -0.02108955 -0.02311435
-1.95572738 -6.43346887 14.73135903
-0.00043729 -0.00049499 0.00008258
-0.00110150 0.00456611 -0.00006086
-0.45186220 -5.68408518 17.14430942
-0.00013449 -0.00037404 -0.00004565
-0.00219964 -0.00316588 0.03661072
-24.64959188 -0.35694443 -19.29684769
0.00072195 0.00033320 -0.00127559
0.01704429 0.00218262 0.01333912
-25.67474843 0.72494180 -21.88200876
-0.00056496 -0.00130380 -0.00031232
-0.00776791 -0.01182607 0.00469965
9.63773386 8.21770848 6.30036475
0.00081285 -0.00117783 -0.00071859
0.00326125 -0.00592039 0.01956253
10.02334913 7.93190520 9.23977192
0.00022824 0.00025001 0.00010530
0.00636892 0.00278527 -0.00519610
19.84356080 27.54965465 -3.86220654
0.00002192 -0.00007471 0.00053777
0.00779177 0.01033995 -0.00956518
20.38465108 30.48128495 -4.63069677
0.00038054 0.00003321 -0.00060916
0.00220968 -0.02413200 -0.00144833
5.89331070 -0.90294731 -7.24213551
-0.00034222 -0.00005070 -0.00059466
0.04378945 -0.01247937 0.00094780
7.62884502 -3.36773969 -7.07536825
0.00054101 0.00047798 0.00022000
-0.01121029 -0.00322809 0.00040669
-8.56652852 -2.16656407 12.30487713
0.00083091 0.00000899 0.00016547
-0.01734752 -0.02637012 0.02427750
-11.07838620 -3.45236239 13.44182327
0.00068373 -0.00058193 0.00070910
0.00387707 0.01473663 -0.00051684
-0.99819308 -24.24646558 14.93548130
0.00062607 -0.00040884 -0.00066961
-0.00313056 -0.01980471 0.00094950
-2.99541869 -22.18988548 14.24308031
0.00035081 -0.00042379 0.00057134
-0.00923603 -0.00015420 -0.00335746
-12.67282060 -8.24021792 -7.29196564
-0.00000883 -0.00010754 -0.00085259
0.00795705 0.00387225 0.00086551
-10.34701504 -6.91579426 -8.73952389
-0.00086703 -0.00043096 0.00195726
-0.02048662 -0.05712227 0.02204861
-16.13655273 -10.28034629 -15.85027934
0.00030431 -0.00014207 0.00067462
-0.00452303 -0.05445507 -0.00257124
-14.25162575 -8.10167405 -16.19914252
-0.00009447 0.00032025 0.00012846
0.00173538 0.00321950 0.00129776
17.36223443 12.91555822 5.36283440
0.00015655 -0.00006480 -0.00004361
-0.00433076 -0.00389655 0.00474909
17.09977731 14.39917320 2.79716571
-0.00045580 0.00069223 -0.00011905
0.00151546 -0.01044873 0.00109300
18.31829753 -4.48377784 -14.97278963
-0.00021013 -0.00080061 0.00036073
0.00399468 -0.00253883 0.00314182
20.72770996 -3.00300463 -15.38033396
0.00015474 0.00106748 -0.00039197
0.01199337 0.00968266 -0.00608417
-0.62574056 6.78312027 -13.70846969
0.00153216 -0.00099358 -0.00028486
-0.00335408 0.00422113 0.00192717
-0.20594357 7.21961305 -16.46187874
-0.00078577 0.00036263 -0.00113596
0.00012590 0.00256449 -0.00917889
0.69967710 0.64703102 -15.56095454
-0.00038601 0.00016034 -0.00021475
-0.00440829 -0.00194403 -0.00607361
2.36585233 -1.04368119 -17.06618251
-0.00119951 0.00005295 0.00072071
0.01832403 -0.00831804 -0.00479904
12.55450907 22.51573102 -22.21175025
0.00012521 -0.00027398 -0.00014366
-0.03195865 -0.03611776 -0.03154439
10.14212494 20.91590516 -23.34758393
0.00072254 -0.00028666 -0.00022425
-0.02674932 0.00946381 0.00326484
-9.96445087 16.07142317 -17.42065796
-0.00056062 -0.00005657 -0.00034685
-0.02323128 -0.01079137 0.02667620
-10.84974141 15.65654765 -14.57050346
-0.00036331 0.00057702 -0.00081268
-0.00409554 -0.00315273 -0.01344339
3.41752661 18.68718003 11.34576154
0.00046574 -0.00000175 0.00036049
-0.05110804 0.03668231 0.03831008
4.72314477 18.37047511 9.00400369
-0.00003159 0.00027950 -0.00049994
0.01030457 -0.00409711 -0.01814689
-3.80931053 -10.54211485 -3.34461603
-0.00019869 -0.00003283 0.00039563
-0.06832777 0.02586153 0.00654411
-1.51634122 -11.38780152 -1.72454069
-0.00144609 0.00064663 0.00043799
-0.01620751 0.00839117 -0.02689889
0.09112042 -7.42022842 5.05340557
-0.00003359 -0.00043593 -0.00013567
0.00082218 0.00326446 -0.00899545
2.74435955 -8.45411414 5.01002408
0.00090429 -0.00024437 0.00095956
-0.00148677 0.00299661 -0.01487528
7.83276143 1.87184173 8.70744378
-0.00052347 0.00001746 -0.00105724
-0.00033650 0.00325266 0.00386677
9.72924255 3.81909713 7.85648437
-0.00013751 0.00069322 0.00117266
0.00020369 0.03137988 -0.00518405
-8.13142108 -8.49017240 -4.36482652
-0.00055380 -0.00006211 0.00090337
0.01152802 -0.01188446 0.01910748
-7.92561917 -10.19130133 -1.99459709
-0.00046464 0.00020428 -0.00073962
-0.02372799 -0.01517190 0.01558879
4.70638305 -13.56268057 -12.06059391
0.00004368 0.00018848 -0.00015768
-0.00769763 0.02131283 -0.01491845
2.40783158 -13.16237493 -13.84449207
-0.00008920 0.00048256 -0.00016895
-0.00257124 0.00647297 -0.00294545
1.31120678 -5.87160063 0.33020357
0.00034456 -0.00039259 0.00098598
0.01050709 -0.01384701 0.00732708
-0.29692264 -3.77506943 -0.28617366
-0.00010819 -0.00027553 -0.00030832
-0.00411803 0.00916467 -0.00378567
17.41920770 3.30156200 25.71353224
-0.00018450 -0.00022883 -0.00028566
-0.00201411 0.00370889 0.00692238
16.67601749 3.46956590 28.52957547
-0.00018869 0.00001264 0.00083042
0.00464348 0.01333448 -0.02143867
-10.75102476 7.27622581 -3.53814625
0.00056810 0.00084692 0.00058449
-0.01683131 0.03294131 0.01049641
-8.32382261 6.86738477 -5.15726212
-0.00004212 0.00027958 0.00051528
0.01293058 0.01836530 -0.01467838
-6.31539176 15.91149155 -9.09444275
0.00020268 0.00000581 0.00014924
0.00214263 0.00119488 -0.00342674
-4.68654766 14.42003596 -11.08195875
0.00064626 -0.00000337 -0.00038666
0.00282149 -0.00201104 0.00273244
2.71724304 10.95326847 -5.51828056
0.00001223 0.00031512 0.00019156
0.00542509 0.01512306 -0.02512909
1.33912317 13.22878364 -7.00357441
-0.00019267 0.00061307 0.00004826
0.02465758 -0.01038315 0.00658408
-2.49565756 11.15774329 -14.17708335
-0.00086477 0.00022412 0.00065731
-0.01367351 -0.00575012 0.00790773
-5.27575244 10.65588894 -13.11757186
0.00048576 0.00043422 0.00008217
0.01262507 0.00653996 -0.00835996
4.61015043 7.46175498 18.99652021
0.00083079 -0.00080412 0.00018051
-0.00254379 0.00087021 -0.01029132
2.09360861 6.79354351 17.69356469
-0.00007078 -0.00048771 0.00053081
0.00567464 0.00586866 -0.00969311
-13.62796440 8.51879110 -8.95865310
0.00057933 -0.00083985 0.00028627
-0.02504545 -0.00124109 -0.00609663
-16.10523243 8.45173008 -7.42019976
0.00100588 -0.00009530 0.00003362
-0.01072498 -0.00562631 0.00694214
5.14063036 10.52412212 0.70808237
0.00138921 0.00024604 0.00052628
-0.01102216 -0.03699398 -0.00833120
2.31386407 10.39590591 0.87301957
-0.00037926 -0.00014628 -0.00110516
0.01540926 -0.03799639 -0.00401401
14.38896473 -23.75509034 -25.62160658
-0.00005315 0.00004967 0.00009467
-0.00829718 -0.00249359 0.00202834
15.17253152 -24.73776400 -28.32137233
0.00027386 -0.00145584 -0.00002675
0.00686000 0.01512058 0.03515583
3.98651521 3.69609491 -0.44212333
-0.00126251 0.00086352 0.00120488
0.01709280 0.00472913 0.01149767
5.51550193 5.75011132 1.06250166
0.00079346 0.00010696 0.00108876
-0.00577158 0.01972582 0.00531425
17.74361188 -3.69639898 -0.48512509
0.00116204 0.00032111 0.00016887
-0.00054199 0.00924426 0.00665305
16.17495917 -6.00406729 -0.98520231
-0.00035418 0.00107556 -0.00059592
-0.01900119 -0.02060475 -0.02635147
-6.57959789 2.84787993 -1.78463079
0.00072998 -0.00032737 -0.00030038
0.04247089 -0.01307909 -0.01101100
-4.92728883 1.31459765 -3.86187668
0.00016723 0.00057511 0.00062816
-0.00810679 -0.00455816 0.00666409
2.49407633 2.88825059 -11.58146117
0.00023862 0.00045666 -0.00128885
0.01867283 0.00850099 -0.00332637
0.37695145 1.31637173 -10.60321566
0.00019123 0.00010852 -0.00198368
-0.01080438 -0.00059617 -0.00318800
17.07357104 7.98929359 -7.88555243
-0.00048850 -0.00072580 -0.00085862
-0.02443309 0.01078224 0.00234365
15.64404007 10.59587452 -6.68539702
-0.00146873 -0.00006564 0.00101948
0.00479875 -0.02330933 -0.00662793
-7.21852576 0.81885813 11.12495551
-0.00097163 0.00111630 -0.00021049
0.01203532 0.00416446 0.00401400
-8.01532979 1.34710346 13.86129674
0.00073330 -0.00071303 -0.00006725
-0.00307491 0.01126166 0.00741996
-2.40019857 -16.70600486 14.17306158
-0.00115305 0.00004508 0.00030012
0.00873302 -0.00789563 0.01560575
-4.68153008 -17.46944217 12.41666328
0.00069635 0.00012016 0.00056711
-0.03301795 -0.05205954 -0.00953176
7.04815503 -6.11167809 -4.51218469
0.00106151 0.00018884 -0.00051220
-0.00035027 -0.01471752 -0.01666579
5.50522505 -7.82698031 -6.41449594
0.00015445 0.00031497 -0.00058685
-0.00810628 -0.00063580 0.00820285
-2.80651449 -11.47324783 2.02226952
-0.00051502 -0.00009021 -0.00042294
-0.00355966 -0.00041040 0.00143631
-0.36116572 -10.12826287 1.94016642
0.00007004 0.00030038 -0.00073928
0.01057815 0.01446561 0.01372478
-14.65207016 -0.74930419 6.20231413
0.00018068 0.00051888 0.00076587
-0.02109106 -0.01712597 -0.01890721
-15.77876284 -1.86563534 3.59469660
0.00062942 0.00038779 0.00007734
0.00178876 0.00809339 0.02284752
-9.54523072 4.57879811 -23.62501644
-0.00012894 -0.00017056 -0.00080579
-0.00059999 -0.00495696 0.01026128
-8.97959001 4.43584696 -20.55493359
-0.00006268 0.00019811 -0.00045248
-0.00617403 -0.01497380 -0.03774236
2.20140415 0.86838697 -3.26165515
0.00021460 -0.00108715 0.00012408
-0.01700242 -0.00426007 0.03643986
0.63422341 0.36844861 -0.46579284
-0.00110310 -0.00066546 0.00040395
-0.01537990 -0.01237290 -0.00814960
14.12373300 9.33776080 3.35621245
0.00011523 0.00001949 -0.00052204
-0.02267264 -0.00768145 0.00989600
11.44188508 8.80706675 2.39785288
0.00016097 -0.00006628 -0.00102505
-0.02014851 0.01309336 -0.02883446
5.39708211 -9.26506633 -10.55911972
-0.00007628 -0.00014509 -0.00000504
-0.00022188 0.00772240 -0.01052077
-12.98473148 10.40254275 21.27474467
0.00010083 -0.00003399 0.00009849
0.00735549 -0.00089530 -0.00358169
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06582613
0.31320542
417.33051316
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1846403461
ExchangeOperator: bisection time: 3.410 s
total exchange = -52.3617541058 (a.u.)
total exchange computation time: 3.3584868908 s
-154.1242429952
-931.38075152
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1846403461
ExchangeOperator: bisection time: 3.409 s
total exchange = -52.3614790935 (a.u.)
total exchange computation time: 3.3588268757 s
-154.1273445573
Anderson extrapolation: theta=1.3849614611 (1.3849614611)
-931.38101741
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1846403461
ExchangeOperator: bisection time: 3.414 s
total exchange = -52.3610130369 (a.u.)
total exchange computation time: 3.3582949638 s
-154.1321979311
Anderson extrapolation: theta=0.0661811548 (0.0661811548)
-931.38118546
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1846403461
ExchangeOperator: bisection time: 3.409 s
total exchange = -52.3609132120 (a.u.)
total exchange computation time: 3.3575279713 s
-154.1330422643
Anderson extrapolation: theta=2.1045602442 (2.0000000000)
-931.38119471
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1846403461
ExchangeOperator: bisection time: 3.411 s
total exchange = -52.3606907276 (a.u.)
total exchange computation time: 3.3601460457 s
-154.1348672253
Anderson extrapolation: theta=0.2769365285 (0.2769365285)
-931.38120675
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1846403461
ExchangeOperator: bisection time: 3.414 s
total exchange = -52.3606243287 (a.u.)
total exchange computation time: 3.3574838638 s
-154.1353695106
Anderson extrapolation: theta=1.3546050991 (1.3546050991)
-931.38120963
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1846403461
ExchangeOperator: bisection time: 3.408 s
total exchange = -52.3605494356 (a.u.)
total exchange computation time: 3.3591940403 s
-154.1358960767
Anderson extrapolation: theta=0.3556118132 (0.3556118132)
-931.38121264
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1846403461
ExchangeOperator: bisection time: 3.409 s
total exchange = -52.3605392962 (a.u.)
total exchange computation time: 3.3576359749 s
-154.1359274420
Anderson extrapolation: theta=1.1242493343 (1.1242493343)
-931.38121359
238.375192 30.852713 158.052027
-142.339025 489.950241 -805.892907
96.036167 520.802954 -647.840880
836.753529
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1846403461
ExchangeOperator: bisection time: 3.415 s
total exchange = -52.3605407702 (a.u.)
total exchange computation time: 3.3584630489 s
678.74747433
-1083.22772172
89.73489480
-389.48257419
-174.79274682
78.01810889
551.60419304
0.00000000
-931.38121436
-8.73593727 -3.95586366 3.64838738
0.00045310 -0.00011957 0.00003492
0.02429881 -0.00178094 0.00282230
-17.81806327 4.34595793 6.46080548
0.00009922 -0.00025674 -0.00008735
0.03225640 0.02926741 0.01475910
-15.54972076 -0.88469184 0.36983263
-0.00003485 -0.00028912 -0.00035491
0.02530498 0.00500808 0.02229137
3.12204151 -20.57507824 15.50082056
-0.00033227 0.00019089 -0.00015088
0.01549323 -0.03018462 0.00287128
7.71864284 16.01116107 -1.28124041
0.00035481 0.00004918 0.00014596
0.00994116 -0.01495586 -0.02601400
-9.91270889 9.44856672 11.04255651
-0.00020821 -0.00013923 -0.00015764
-0.01589910 0.03357015 0.01003748
-8.33932916 -0.44614554 -14.31957713
-0.00003431 0.00017451 -0.00001530
0.02533388 0.00576367 0.02339886
-10.79155321 2.37729832 -6.98433094
0.00004900 0.00012271 0.00013932
-0.01390380 0.00654699 0.00951036
-0.36739335 -5.73354440 15.38729752
-0.00018569 0.00006415 0.00039754
-0.00260963 -0.00163003 -0.03994176
-25.72905887 -0.72985521 -20.68286486
-0.00027901 -0.00003991 0.00012050
-0.00453958 0.01074759 -0.02201362
8.87984739 7.50776355 7.85027258
-0.00001861 -0.00005826 -0.00007759
-0.00006599 -0.00406908 -0.02249719
20.83763259 28.61252081 -5.04279831
0.00020679 -0.00029769 -0.00006368
-0.00557914 0.00817244 0.02453219
7.71905548 -1.55525110 -7.25866937
-0.00010658 -0.00007018 -0.00007495
-0.03594109 0.02514800 -0.00129733
-9.24732824 -3.46620921 13.54820169
0.00003070 0.00006362 0.00012506
0.01861805 0.00838244 -0.02834875
-1.26726686 -22.71040796 14.01868531
0.00002315 0.00016325 0.00028840
0.01457761 0.01086178 -0.00165360
-11.02502446 -8.67119945 -8.08745607
0.00019302 0.00011561 0.00017914
0.01934671 0.04817538 -0.02055568
-15.90492234 -8.59545880 -15.51207306
-0.00002279 -0.00005850 -0.00005217
-0.00108845 0.05134770 0.00494110
16.86360018 12.75460485 3.60329483
0.00045559 0.00013881 0.00005947
0.00181258 0.00945668 -0.01529432
20.12425387 -4.60868548 -14.77828140
-0.00030627 -0.00014728 -0.00009865
-0.00656230 -0.00363378 -0.00404854
-0.35614563 8.15018892 -14.91041725
0.00024866 -0.00001562 0.00001109
-0.00727102 -0.01660926 0.00398261
0.62826563 -0.54590241 -16.98519357
-0.00009119 0.00045815 -0.00017691
-0.02202839 0.01704773 0.01693431
11.92119459 20.90745318 -23.18642480
0.00037906 -0.00029708 -0.00003359
0.05797029 0.01799743 0.02397634
-11.32798341 15.21729726 -16.29499794
-0.00011270 -0.00013790 -0.00004128
0.01359782 -0.00193323 0.00113579
4.60582488 17.66351649 10.65442241
0.00033390 0.00015160 -0.00041076
0.03928415 -0.03672979 -0.02258267
-2.19113274 -11.08111799 -3.53949184
0.00008872 -0.00005159 -0.00008281
0.08162447 -0.03114081 0.01688130
1.30339727 -8.14583030 3.85988813
0.00007578 0.00006585 0.00034697
0.01260411 0.00681376 0.02758325
9.58378676 2.09121115 8.27154945
-0.00009379 0.00031667 0.00009535
-0.00685617 -0.02760006 0.00240639
-6.95107606 -9.15767350 -3.06773374
-0.00001654 0.00044587 -0.00010035
-0.00119112 0.02721693 -0.03214910
3.84756871 -12.25611465 -13.13081822
-0.00017571 0.00024623 -0.00028454
0.01020109 -0.02911490 0.01597011
1.25003787 -4.52671274 -0.87747064
0.00005159 0.00019277 0.00012380
-0.00477614 -0.00442645 0.00307151
17.17415544 4.52913648 27.05407351
0.00041895 0.00011653 -0.00031569
-0.00454976 -0.02359447 0.01846024
-9.71483853 6.06819249 -4.31177222
-0.00029204 -0.00009190 0.00049200
-0.00558160 -0.02576580 0.02037337
-4.78530979 14.93734377 -9.32210048
0.00031098 0.00000704 -0.00016248
-0.00148388 0.00019985 0.00428982
2.94807719 12.22448285 -6.90380748
-0.00019455 0.00013109 -0.00008281
-0.02873599 0.00390832 0.01785312
-4.10710743 11.96578453 -13.72858324
0.00027888 0.00013769 0.00007920
-0.00585402 0.00079180 0.00537296
3.85780183 7.31187168 17.29889552
-0.00003051 0.00013481 -0.00014242
-0.00776539 -0.00787954 0.02887993
-15.50829083 8.66370325 -9.12172490
-0.00052328 -0.00010442 -0.00007951
0.05108813 0.00179982 0.00015507
3.75467812 9.20458633 0.57836919
-0.00003142 0.00003905 0.00017713
0.01044372 0.06616963 0.01046017
15.87056121 -24.05665977 -26.67805776
0.00010143 -0.00010296 -0.00003270
-0.00316079 -0.01920797 -0.03347654
5.67934370 4.15906977 0.26028602
-0.00012050 -0.00009827 0.00022626
-0.01772730 -0.02112606 -0.01238154
17.27434419 -5.30829770 0.20916653
0.00018678 -0.00016108 -0.00024691
0.01521935 0.00515404 0.02153571
-4.77152121 2.40469460 -2.38718060
-0.00028494 -0.00002366 0.00034977
-0.01696511 0.02606908 0.01318602
0.77089333 2.53283923 -11.91193592
-0.00021348 0.00005042 0.00012747
-0.00683698 0.00098136 -0.01522512
15.40101032 8.83940090 -7.26554828
0.00003267 0.00002836 0.00037213
0.01836042 0.01308029 0.00275006
-6.51038837 1.04509961 12.83086998
-0.00040893 0.00021170 0.00020567
0.00038474 -0.00632239 -0.02494343
-3.58541095 -16.22869548 12.89805670
-0.00013243 -0.00007207 -0.00002252
0.02752989 0.06634588 -0.01385928
7.00385986 -6.75410434 -6.31633178
-0.00026826 0.00037027 -0.00020719
0.00280242 0.01412987 0.01938610
-1.11049671 -11.65960625 1.31667468
-0.00002707 -0.00022464 -0.00043172
-0.01946666 -0.01136710 -0.00894556
-16.04912233 -1.79804780 5.49389962
0.00030641 -0.00008278 0.00050832
0.01822319 0.01201444 -0.00697575
-9.23489571 3.41588186 -22.17504717
-0.00015612 -0.00026002 -0.00024504
0.00935441 0.03114945 0.03245475
1.97958458 1.10962762 -1.37254307
-0.00018259 -0.00007896 -0.00025596
0.02220042 0.01779268 -0.02686132
12.52796533 8.44096204 3.75591906
0.00015220 -0.00030767 -0.00004776
0.03506329 -0.00213578 0.00960386
-7.12839370 -4.50110207 2.85961304
-0.00077976 0.00015183 0.00116544
-0.01603592 0.01188447 -0.01264173
-10.06253970 -3.88179465 2.39633985
-0.00039410 0.00016490 -0.00025957
0.00871559 0.01152724 -0.01430419
-16.38514315 5.58322597 6.76979315
0.00042442 -0.00052015 -0.00027666
-0.02690830 -0.01607800 0.00219748
-17.27149757 3.65525382 4.89270282
-0.00018637 -0.00003342 -0.00097200
-0.00189157 -0.01070662 -0.01531994
-16.09407916 0.89224024 0.59329340
0.00053789 0.00101930 0.00016979
-0.00080401 -0.01250338 -0.01022453
-16.74526648 -1.90885889 -0.47503557
0.00143071 0.00066540 0.00003018
-0.02109429 0.00277645 -0.01094950
1.45465106 -21.23917302 14.99167850
-0.00099238 -0.00015473 0.00036287
-0.00214226 0.02466090 0.00674345
3.38047858 -18.86166688 16.04848028
-0.00034914 -0.00034052 0.00014615
-0.01348590 0.00730711 -0.00592851
8.06595957 14.17131306 -1.22970062
-0.00010490 -0.00034805 -0.00014926
0.00380542 0.00461225 0.00112248
7.04596078 16.36846923 0.31647825
-0.00098702 0.00026825 -0.00010508
-0.01122843 0.00834715 0.02439225
-8.65824495 9.38978033 12.44405853
-0.00057711 -0.00120365 0.00001263
-0.00710535 -0.00963684 -0.00320823
-10.83996704 11.07103835 11.45783435
-0.00042075 -0.00013074 -0.00026598
0.02183515 -0.02649671 -0.00504061
-9.95375520 0.34457772 -14.49257351
-0.00099552 0.00050652 0.00010527
-0.01839293 0.00536487 -0.00249640
-8.13769343 -1.67381310 -15.60713332
-0.00022781 0.00040859 -0.00189736
-0.00431364 -0.01019393 -0.01759693
-12.07139865 1.07432611 -6.90746861
-0.00025206 -0.00090807 0.00027315
-0.00310486 -0.00277523 0.00002712
-11.25647413 3.73142765 -5.73931989
0.00025203 0.00009128 -0.00029848
0.01670812 -0.02045411 -0.02188653
-1.96232048 -6.44075380 14.73259592
-0.00043592 -0.00047349 0.00008463
0.00177114 0.00596002 0.00106189
-0.45394690 -5.68979274 17.14474649
-0.00014389 -0.00038688 0.00011170
-0.00240120 -0.00312018 0.04041525
-24.63824029 -0.35187953 -19.31557276
0.00079514 0.00034308 -0.00121609
0.01878013 0.00265243 0.01578785
-25.68346087 0.70502244 -21.88654953
-0.00059654 -0.00134460 -0.00029832
-0.00768981 -0.00814541 0.00215389
9.65002657 8.19985960 6.29018537
0.00082389 -0.00120319 -0.00063408
0.00214165 -0.00649331 0.02180608
10.02696790 7.93574071 9.24119218
0.00025166 0.00026035 0.00008064
0.00509312 0.00227716 -0.00687588
19.84412830 27.54885084 -3.85443308
0.00005609 -0.00002975 0.00049588
0.00893726 0.01166987 -0.01094135
20.39042685 30.48104368 -4.63987862
0.00038952 -0.00006670 -0.00061421
0.00218726 -0.02477637 -0.00102021
5.88951928 -0.90409019 -7.25102631
-0.00016197 -0.00010242 -0.00059004
0.04444231 -0.01283843 0.00131335
7.63661662 -3.36066896 -7.07205585
0.00049404 0.00045687 0.00022229
-0.01178199 -0.00710332 0.00071827
-8.55459649 -2.16723733 12.30810307
0.00075743 -0.00009930 0.00026542
-0.01862190 -0.02663854 0.02465133
-11.06801145 -3.46063977 13.45244395
0.00068953 -0.00052031 0.00070480
-0.00103558 0.01542877 -0.00158801
-0.98889800 -24.25320508 14.92546619
0.00061232 -0.00048840 -0.00066652
-0.00360024 -0.01914193 0.00056726
-2.99043953 -22.19624706 14.25154752
0.00030695 -0.00042291 0.00055892
-0.01223329 0.00058556 -0.00272213
-12.67270925 -8.24171240 -7.30472801
0.00001996 -0.00009275 -0.00084633
0.00613561 0.00336754 0.00220245
-10.36064832 -6.92400910 -8.70948929
-0.00094380 -0.00065419 0.00204047
-0.01709318 -0.05214760 0.01867928
-16.13212669 -10.28414602 -15.84023881
0.00028659 -0.00036478 0.00066442
-0.00415323 -0.05456402 -0.00242304
-14.25298963 -8.09677159 -16.19717581
-0.00008713 0.00033280 0.00013326
0.00185656 0.00292136 0.00105258
17.36444997 12.91446674 5.36232575
0.00013987 -0.00007966 -0.00002207
-0.00383574 -0.00337696 0.00579457
17.09298669 14.40923642 2.79541349
-0.00044962 0.00064425 -0.00011179
0.00150933 -0.01303568 0.00245893
18.31526803 -4.49586483 -14.96728246
-0.00019642 -0.00080919 0.00037272
0.00271473 -0.00166074 0.00273042
20.73039859 -2.98669570 -15.38639997
0.00019503 0.00108845 -0.00041029
0.00773051 0.00058001 -0.00288195
-0.60286089 6.76834585 -13.71268352
0.00151898 -0.00097257 -0.00028072
-0.00310099 0.00606776 0.00009830
-0.21772629 7.22513113 -16.47919937
-0.00078629 0.00037891 -0.00116310
-0.00037869 0.00540152 -0.00410670
0.69375182 0.64937655 -15.56436185
-0.00040436 0.00015502 -0.00023730
-0.00457214 -0.00065924 -0.00496694
2.34842121 -1.04314178 -17.05551898
-0.00110902 0.00001383 0.00069965
0.02597236 -0.01083088 -0.00550927
12.55540790 22.51051450 -22.21487182
-0.00000410 -0.00041968 -0.00027149
-0.03134022 -0.03520293 -0.03102854
10.15214335 20.91189530 -23.35084762
0.00060786 -0.00024818 -0.00021173
-0.02938514 0.00936872 0.00286415
-9.97357211 16.07024395 -17.42504320
-0.00065473 -0.00010100 -0.00023785
-0.02283347 -0.01095939 0.02667683
-10.85531652 15.66510632 -14.58310556
-0.00037758 0.00056645 -0.00085823
-0.00289181 -0.00202013 -0.00885346
3.42294661 18.68827783 11.35234289
0.00026188 0.00014442 0.00051425
-0.04868560 0.03486998 0.03695367
4.72298665 18.37454198 8.99594848
0.00000965 0.00026245 -0.00057146
0.00988230 -0.00424895 -0.01686253
-3.81438464 -10.54181485 -3.33848109
-0.00046847 0.00006972 0.00041856
-0.06372947 0.02433766 0.00468435
-1.53852919 -11.37784500 -1.71879507
-0.00150707 0.00067854 0.00032907
-0.01364495 0.00723113 -0.02641732
0.09064170 -7.42666736 5.05109490
-0.00003360 -0.00042028 -0.00016784
-0.00082438 0.00439635 -0.00675422
2.75787831 -8.45768793 5.02396168
0.00088767 -0.00022941 0.00089115
-0.00664984 0.00432847 -0.01861428
7.82489908 1.87220330 8.69170367
-0.00052226 0.00003097 -0.00104191
0.00093026 0.00336166 0.00363768
9.72718608 3.83045700 7.87391543
-0.00013668 0.00081894 0.00115225
0.00020631 0.03015996 -0.00480868
-8.13937477 -8.49146815 -4.35069048
-0.00050953 -0.00010617 0.00097425
0.01013949 -0.00968602 0.01558832
-7.93331586 -10.18870201 -2.00521362
-0.00055934 0.00014208 -0.00067471
-0.02263072 -0.01527542 0.01618231
4.70680236 -13.55920034 -12.06341619
0.00001069 0.00027663 -0.00021999
-0.00844955 0.02184084 -0.01558401
2.40641472 -13.15493815 -13.84711661
-0.00010212 0.00050707 -0.00018243
-0.00374854 0.00552261 -0.00365105
1.31669713 -5.87791376 0.34521783
0.00038617 -0.00043588 0.00100495
0.00986205 -0.00734519 0.00195604
-0.29867163 -3.77892156 -0.29091439
-0.00012735 -0.00023775 -0.00032252
-0.00526369 0.00933047 -0.00316938
17.41637844 3.29824313 25.70945947
-0.00019315 -0.00021314 -0.00025570
-0.00221928 0.00397421 0.00774169
16.67332949 3.47016411 28.54137480
-0.00016587 0.00007395 0.00073124
0.00652662 0.01667557 -0.02710998
-10.74301904 7.28993910 -3.52905731
0.00050085 0.00097743 0.00062607
-0.01608756 0.03094382 0.00986114
-8.32405825 6.87214119 -5.14998268
0.00000735 0.00035064 0.00045711
0.01128917 0.01641850 -0.01379806
-6.31228590 15.91161538 -9.09230909
0.00021292 0.00000941 0.00013408
0.00286880 0.00056669 -0.00399416
-4.67676730 14.41992377 -11.08767496
0.00065686 -0.00001022 -0.00037219
0.00236497 -0.00134311 0.00435298
2.71759273 10.95845865 -5.51617713
0.00003401 0.00037663 0.00008890
0.00523641 0.01498738 -0.02512733
1.33698873 13.23766147 -7.00264881
-0.00009014 0.00056908 0.00007547
0.02552990 -0.01114789 0.00673659
-2.50904817 11.16092889 -14.16698131
-0.00090516 0.00019452 0.00068523
-0.00609349 -0.00873894 0.00575483
-5.26807918 10.66260262 -13.11659542
0.00053333 0.00045793 0.00004996
0.01066098 0.00506519 -0.00740736
4.62253426 7.44971988 18.99891255
0.00081674 -0.00080061 0.00013155
-0.00433372 0.00084692 -0.01367767
2.09272086 6.78640771 17.70122977
-0.00004376 -0.00046222 0.00048999
0.00755188 0.00660739 -0.01028800
-13.62004190 8.50615525 -8.95454591
0.00046382 -0.00084316 0.00025795
-0.03149612 -0.00037465 -0.00776653
-16.09047293 8.45012810 -7.41948268
0.00095754 -0.00011885 0.00006764
-0.01293383 -0.00589710 0.00970750
5.16113075 10.52667911 0.71572135
0.00133262 0.00008802 0.00049161
-0.01667732 -0.04035981 -0.00864320
2.30864736 10.39254742 0.85631921
-0.00031520 -0.00029935 -0.00112058
0.01595094 -0.03693448 -0.00353377
14.38791319 -23.75442169 -25.62012444
-0.00008464 0.00003860 0.00010055
-0.00711820 -0.00292345 0.00085050
15.17684963 -24.75913827 -28.32069636
0.00030248 -0.00139144 0.00012032
0.00715178 0.01640356 0.03684040
3.96810137 3.70919266 -0.42369785
-0.00118783 0.00088273 0.00125227
0.01946086 0.00467321 0.01169991
5.52722704 5.75232015 1.07899595
0.00077111 0.00017960 0.00110652
-0.00516983 0.01583445 0.00337731
17.76102592 -3.69129905 -0.48238823
0.00115716 0.00035100 0.00019954
-0.00184973 0.00538486 0.00836329
16.16906421 -5.98856529 -0.99494865
-0.00042985 0.00099358 -0.00070132
-0.01803740 -0.01952720 -0.02524193
-6.56734672 2.84256855 -1.78947397
0.00089251 -0.00037781 -0.00034167
0.03708861 -0.01161163 -0.00919596
-4.92502878 1.32308469 -3.85225004
0.00013372 0.00055114 0.00064758
-0.00829507 -0.00717546 0.00284083
2.49822777 2.89536100 -11.60089581
0.00030867 0.00048899 -0.00130221
0.01561818 0.00732471 -0.00321382
0.37948887 1.31798121 -10.63306855
0.00014372 0.00008993 -0.00197739
-0.01245271 -0.00850126 0.00626869
17.06549477 7.97873694 -7.89835995
-0.00058696 -0.00067894 -0.00084709
-0.02376045 0.01215936 0.00329897
15.62215612 10.59417559 -6.67030799
-0.00144587 -0.00015989 0.00099150
0.00639339 -0.02282517 -0.00706383
-7.23273137 0.83573019 11.12192122
-0.00091971 0.00113346 -0.00018817
0.01337926 0.00423691 0.00691104
-8.00442453 1.33675310 13.86051535
0.00070780 -0.00066426 -0.00002740
-0.00940750 0.01261011 0.01208713
-2.41722676 -16.70557054 14.17804159
-0.00111132 0.00001198 0.00036949
0.01169737 -0.00830924 0.01835268
-4.67209653 -17.46923507 12.42487787
0.00055055 -0.00010407 0.00052299
-0.03835514 -0.05770226 -0.01206697
7.06406691 -6.10929646 -4.52037836
0.00105762 0.00012906 -0.00057684
-0.00155520 -0.01454486 -0.01497589
5.50729346 -7.82227523 -6.42304735
0.00011796 0.00031084 -0.00055153
-0.00975834 -0.00138416 0.00908726
-2.81434890 -11.47461349 2.01596941
-0.00052290 -0.00009164 -0.00041873
-0.00029898 -0.00029226 0.00062469
-0.35979099 -10.12331387 1.92949785
0.00011005 0.00035394 -0.00068474
0.00900653 0.01175344 0.01297188
-14.65000631 -0.74204571 6.21322282
0.00009223 0.00044645 0.00068717
-0.02220565 -0.01833027 -0.01961531
-15.76926679 -1.85957046 3.59655681
0.00063530 0.00042048 0.00017461
0.00108981 0.00790658 0.02476554
-9.54718328 4.57608787 -23.63678880
-0.00013020 -0.00019404 -0.00076041
-0.00001495 -0.00653799 0.01195330
-8.98071945 4.43835970 -20.56287732
-0.00008809 0.00013621 -0.00060651
-0.00626270 -0.01532335 -0.03765498
2.20410212 0.85194922 -3.25867728
0.00014527 -0.00110407 0.00026982
-0.01693360 -0.00402478 0.03489700
0.61720568 0.35808763 -0.45998327
-0.00114795 -0.00070679 0.00035914
-0.00657734 -0.00786207 -0.01378617
14.12476674 9.33781779 3.34868511
0.00002161 -0.00001322 -0.00047999
-0.02315427 -0.00833214 0.01068774
11.44368223 8.80647383 2.38159361
0.00008708 -0.00001635 -0.00113085
-0.01602126 0.01134629 -0.02295605
5.39593724 -9.26722189 -10.55922358
-0.00007639 -0.00014231 -0.00000881
-0.00036776 0.00776733 -0.01052543
-12.98320624 10.40203134 21.27621578
0.00010255 -0.00003420 0.00009766
0.00744508 -0.00090104 -0.00357509
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06582914
0.31538523
420.23500091
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1846403461
ExchangeOperator: bisection time: 3.684 s
total exchange = -52.3555956514 (a.u.)
total exchange computation time: 3.3599460125 s
-154.1041337194
-931.38313593
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1846403461
ExchangeOperator: bisection time: 3.684 s
total exchange = -52.3554356267 (a.u.)
total exchange computation time: 3.3606519699 s
-154.1065853995
Anderson extrapolation: theta=1.3433266561 (1.3433266561)
-931.38338147
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1846403461
ExchangeOperator: bisection time: 3.684 s
total exchange = -52.3551527104 (a.u.)
total exchange computation time: 3.3600139618 s
-154.1103875719
Anderson extrapolation: theta=0.0517575043 (0.0517575043)
-931.38352700
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1846403461
ExchangeOperator: bisection time: 3.682 s
total exchange = -52.3550814733 (a.u.)
total exchange computation time: 3.3587810993 s
-154.1110653764
Anderson extrapolation: theta=1.9102944719 (1.9102944719)
-931.38353244
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1846403461
ExchangeOperator: bisection time: 3.682 s
total exchange = -52.3549260403 (a.u.)
total exchange computation time: 3.3615729809 s
-154.1124912221
Anderson extrapolation: theta=0.2256058900 (0.2256058900)
-931.38353830
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1846403461
ExchangeOperator: bisection time: 3.686 s
total exchange = -52.3548854517 (a.u.)
total exchange computation time: 3.3581578732 s
-154.1128279344
Anderson extrapolation: theta=1.8454439228 (1.8454439228)
-931.38353949
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1846403461
ExchangeOperator: bisection time: 3.681 s
total exchange = -52.3548255944 (a.u.)
total exchange computation time: 3.3579709530 s
-154.1132950768
Anderson extrapolation: theta=0.2926346055 (0.2926346055)
-931.38354102
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1846403461
ExchangeOperator: bisection time: 3.687 s
total exchange = -52.3548235967 (a.u.)
total exchange computation time: 3.3580739498 s
-154.1132805244
Anderson extrapolation: theta=1.3001891789 (1.3001891789)
-931.38354141
238.391684 30.839887 158.028467
-142.359807 489.951689 -805.927791
96.031877 520.791575 -647.899324
836.791205
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1846403461
ExchangeOperator: bisection time: 3.684 s
total exchange = -52.3548323846 (a.u.)
total exchange computation time: 3.3577039242 s
678.65889852
-1083.03297103
89.73843247
-389.61570258
-174.77736674
77.90972780
551.60419304
0.00000000
-931.38354175
-8.72904711 -3.95766408 3.64892207
0.00046195 -0.00011956 0.00003659
0.01014872 0.00180768 0.00367574
-17.81645054 4.34221977 6.45955217
0.00011622 -0.00024229 -0.00008096
0.03383542 0.02689437 0.01009547
-15.55014596 -0.88900932 0.36459492
-0.00001948 -0.00028265 -0.00034115
0.03449098 0.02015682 0.03122373
3.11711728 -20.57233128 15.49856846
-0.00032512 0.00017427 -0.00014996
0.01230386 -0.03445493 0.00069608
7.72400338 16.01184103 -1.27915140
0.00035974 0.00004129 0.00013333
0.00921851 -0.01570164 -0.02307736
-9.91589334 9.44660777 11.04023065
-0.00021657 -0.00012210 -0.00015262
-0.01661646 0.03303555 0.00948225
-8.33974601 -0.44350566 -14.31971638
-0.00002285 0.00017659 -0.00000536
0.01920350 0.00230919 0.01524195
-10.79087179 2.37916423 -6.98220442
0.00004088 0.00012437 0.00014381
-0.01769415 -0.00009957 0.00795023
-0.37018874 -5.73258851 15.39310657
-0.00018769 0.00006302 0.00037615
-0.00515897 -0.00274243 -0.04324531
-25.73326157 -0.73041246 -20.68114224
-0.00028165 -0.00003540 0.00010959
-0.00572754 0.00679282 -0.02040158
8.87956792 7.50687400 7.84902194
-0.00001803 -0.00006011 -0.00008920
0.00234166 -0.00312627 -0.02266223
20.84071298 28.60808700 -5.04365895
0.00020365 -0.00029366 -0.00005086
-0.00663500 0.00747752 0.02535559
7.71731819 -1.55620675 -7.25979868
-0.00012486 -0.00005621 -0.00007577
-0.03517166 0.02916203 -0.00187175
-9.24679594 -3.46522260 13.54996827
0.00004185 0.00006773 0.00011078
0.02476183 0.00760783 -0.02717422
-1.26686334 -22.70791729 14.02300487
0.00003149 0.00016828 0.00028759
0.01783874 0.00868380 -0.00147869
-11.02205449 -8.66927954 -8.08484819
0.00020238 0.00013876 0.00016924
0.01704345 0.04185822 -0.01794260
-15.90526844 -8.59613817 -15.51283659
-0.00002361 -0.00003267 -0.00004976
-0.00208235 0.04909745 0.00445662
16.87044104 12.75672344 3.60412784
0.00045638 0.00014411 0.00005098
0.00127073 0.01115690 -0.01769077
20.11963447 -4.61090869 -14.77977680
-0.00030823 -0.00014713 -0.00010141
-0.00106539 0.00419618 -0.00668836
-0.35244385 8.14989058 -14.91023550
0.00024491 -0.00002532 0.00001228
-0.00730898 -0.02111886 0.00065403
0.62681280 -0.53896440 -16.98778193
-0.00010427 0.00046711 -0.00016843
-0.02883792 0.01781335 0.01605277
11.92710417 20.90306639 -23.18683623
0.00040893 -0.00028821 -0.00002141
0.05816201 0.01649173 0.02341119
-11.32962141 15.21522125 -16.29561275
-0.00010617 -0.00013924 -0.00004187
0.01177987 -0.00326086 -0.00342352
4.61098489 17.66564889 10.64817386
0.00035302 0.00013374 -0.00042204
0.03506615 -0.03273873 -0.02126691
-2.18948702 -11.08201195 -3.54066880
0.00012812 -0.00006667 -0.00007396
0.07155681 -0.02751681 0.01751900
1.30458256 -8.14481628 3.86519902
0.00008388 0.00006871 0.00036126
0.01888454 0.00431005 0.02801967
9.58235348 2.09585479 8.27298899
-0.00009762 0.00030308 0.00009650
-0.00803006 -0.02525042 0.00205306
-6.95132881 -9.15088052 -3.06936297
-0.00001719 0.00045903 -0.00011579
-0.00133839 0.02396299 -0.02790331
3.84497240 -12.25253351 -13.13502473
-0.00017001 0.00023148 -0.00027610
0.01197067 -0.02823596 0.01685048
1.25079335 -4.52383824 -0.87560186
0.00004958 0.00018881 0.00012659
-0.00305985 -0.01096999 0.00779314
17.18042208 4.53079338 27.04940937
0.00041623 0.00010366 -0.00030514
-0.00599719 -0.02644959 0.02255428
-9.71924066 6.06671459 -4.30431363
-0.00029469 -0.00010380 0.00050236
-0.00473397 -0.02050573 0.01990260
-4.78065081 14.93745011 -9.32452111
0.00031016 0.00000714 -0.00016051
-0.00170498 0.00020895 0.00337850
2.94504817 12.22646421 -6.90498072
-0.00020928 0.00013335 -0.00007381
-0.02856932 0.00489705 0.01714075
-4.10294687 11.96785289 -13.72737445
0.00027438 0.00013938 0.00008228
-0.01162279 0.00577268 0.00657513
3.85731419 7.31386341 17.29687062
-0.00003448 0.00013062 -0.00012666
-0.00767765 -0.00841592 0.03242240
-15.51594290 8.66214391 -9.12291694
-0.00049516 -0.00010363 -0.00007966
0.05826299 0.00125949 -0.00075188
3.75424714 9.20542735 0.58106652
-0.00002474 0.00007325 0.00018243
0.01554045 0.06680272 0.01014140
15.87207051 -24.05827827 -26.67867740
0.00009946 -0.00011294 -0.00004979
-0.00452907 -0.01958727 -0.03298609
5.67746787 4.15751425 0.26363222
-0.00013028 -0.00010808 0.00022042
-0.02032150 -0.01701411 -0.01033533
17.27720467 -5.31069403 0.20554594
0.00019448 -0.00015791 -0.00023680
0.01470293 0.00718215 0.01776639
-4.77586073 2.40444027 -2.38188321
-0.00029195 -0.00001010 0.00035683
-0.01030537 0.02664230 0.01425984
0.76766483 2.53359928 -11.91008256
-0.00021555 0.00005350 0.00011717
-0.00121287 0.01099453 -0.02482393
15.40157117 8.83987680 -7.25995573
0.00004145 0.00003444 0.00037337
0.01577246 0.01053508 0.00206967
-6.51652077 1.04825075 12.83385876
-0.00040732 0.00020806 0.00019093
0.00586588 -0.00784412 -0.03238035
-3.58729126 -16.22952064 12.89766539
-0.00011815 -0.00003702 -0.00002978
0.02800947 0.06995460 -0.01437137
6.99984680 -6.74849576 -6.31936479
-0.00026617 0.00037755 -0.00019795
0.00531082 0.01418402 0.01654370
-1.11097787 -11.66301974 1.31016432
-0.00003744 -0.00022959 -0.00043569
-0.02086308 -0.00786504 -0.00649725
-16.04445583 -1.79924320 5.50149753
0.00031607 -0.00007640 0.00050435
0.01930942 0.01280462 -0.00846560
-9.23720140 3.41210168 -22.17859754
-0.00015149 -0.00024372 -0.00022890
0.00863467 0.03222544 0.03029654
1.97693141 1.10851191 -1.37648615
-0.00017336 -0.00007087 -0.00026774
0.01367877 0.01364298 -0.01891199
12.53038352 8.43633873 3.75523965
0.00016898 -0.00030819 -0.00004464
0.03020128 0.00012613 0.00254078
-7.14058145 -4.49846041 2.87670721
-0.00082713 0.00019419 0.00110434
-0.00715310 0.00884943 -0.01726780
-10.06818417 -3.87896796 2.39200803
-0.00034824 0.00021133 -0.00030965
0.01373645 0.01119954 -0.01021135
-16.37960140 5.57493100 6.76571053
0.00031458 -0.00058521 -0.00026741
-0.02685744 -0.01576609 0.00233445
-17.27435104 3.65442446 4.87765341
-0.00019747 -0.00007297 -0.00102507
-0.00354095 -0.00865495 -0.01065792
-16.08603545 0.90714664 0.59552689
0.00053759 0.00095547 0.00012544
0.00065570 -0.01874347 -0.01148524
-16.72445223 -1.89879284 -0.47491843
0.00132297 0.00065970 -0.00002965
-0.03164541 -0.00556297 -0.01833731
1.43969975 -21.24073833 14.99732824
-0.00099522 -0.00005157 0.00039176
0.00075076 0.02584062 0.00739672
3.37482831 -18.86655077 16.05049080
-0.00040348 -0.00030475 0.00012417
-0.01311502 0.01020377 -0.00482757
8.06450270 14.16623367 -1.23190517
-0.00009034 -0.00032509 -0.00014359
0.00332057 0.00662360 0.00165621
7.03081137 16.37274884 0.31564949
-0.00103031 0.00029985 -0.00001255
-0.00996106 0.00711924 0.02090374
-8.66711936 9.37143024 12.44414967
-0.00060551 -0.00124113 0.00000072
-0.00679586 -0.00870965 -0.00261969
-10.84560918 11.06826529 11.45369021
-0.00033013 -0.00023931 -0.00028598
0.02252563 -0.02664986 -0.00475182
-9.96925163 0.35233988 -14.49107102
-0.00105632 0.00052185 0.00009691
-0.01136908 0.00214218 -0.00159415
-8.14124281 -1.66799657 -15.63613289
-0.00024735 0.00038076 -0.00195426
-0.00525046 -0.00342950 -0.01025636
-12.07527476 1.06062007 -6.90337058
-0.00025541 -0.00090827 0.00027323
0.00146857 0.00267617 0.00001306
-11.25218164 3.73217007 -5.74446769
0.00031748 0.00001019 -0.00038430
0.01532707 -0.01923933 -0.02012443
-1.96880504 -6.44767347 14.73389788
-0.00042332 -0.00044650 0.00009109
0.00439900 0.00724849 0.00210243
-0.45617877 -5.69569153 17.14766046
-0.00015394 -0.00039967 0.00028101
-0.00252061 -0.00314166 0.04246064
-24.62573773 -0.34665208 -19.33333026
0.00087417 0.00035452 -0.00114836
0.01990734 0.00294887 0.01736658
-25.69264459 0.68460388 -21.89095829
-0.00062778 -0.00136970 -0.00029523
-0.00760308 -0.00414246 -0.00064129
9.66245053 8.18161277 6.28134241
0.00083065 -0.00123043 -0.00054142
0.00116968 -0.00683883 0.02355066
10.03089880 7.93971577 9.24219104
0.00026982 0.00026857 0.00004926
0.00379971 0.00174529 -0.00848165
19.84524354 27.54876224 -3.84733017
0.00009443 0.00001999 0.00044898
0.00982915 0.01267617 -0.01201435
20.39633668 30.47928396 -4.64912299
0.00039827 -0.00016847 -0.00061738
0.00209503 -0.02504095 -0.00053492
5.88845156 -0.90601990 -7.25983661
0.00001896 -0.00015489 -0.00058395
0.04412502 -0.01284468 0.00166570
7.64366616 -3.35403357 -7.06869943
0.00044491 0.00042043 0.00022584
-0.01226471 -0.01073369 0.00101888
-8.54380573 -2.16954316 12.31283979
0.00067948 -0.00020741 0.00036567
-0.01953267 -0.02628018 0.02442146
-11.05770017 -3.46797158 13.46296731
0.00067520 -0.00045612 0.00069623
-0.00598331 0.01599179 -0.00260681
-0.97982356 -24.26111772 14.91548585
0.00059648 -0.00056414 -0.00066557
-0.00415016 -0.01792862 -0.00010361
-2.98621010 -22.20257274 14.25984790
0.00025150 -0.00041927 0.00054899
-0.01491189 0.00119726 -0.00213944
-12.67222188 -8.24300051 -7.31735540
0.00004117 -0.00008020 -0.00083464
0.00424935 0.00277811 0.00351934
-10.37532917 -6.93541987 -8.67830991
-0.00100546 -0.00085362 0.00210896
-0.01308633 -0.04547819 0.01485123
-16.12795518 -10.29128976 -15.83034678
0.00027110 -0.00058265 0.00065581
-0.00342899 -0.05208203 -0.00178913
-14.25423973 -8.09169010 -16.19514458
-0.00007938 0.00034401 0.00013705
0.00194022 0.00256710 0.00079970
17.36643044 12.91316831 5.36217223
0.00012511 -0.00009241 0.00000340
-0.00338792 -0.00286455 0.00667339
17.08628858 14.41850072 2.79381198
-0.00044330 0.00058648 -0.00009928
0.00158577 -0.01524111 0.00366709
18.31240490 -4.50805360 -14.96160797
-0.00018818 -0.00081415 0.00038301
0.00131695 -0.00076749 0.00230801
20.73356100 -2.97035122 -15.39264260
0.00021830 0.00107332 -0.00041597
0.00365645 -0.00798302 0.00009919
-0.58017127 6.75394330 -13.71689133
0.00150668 -0.00094413 -0.00028399
-0.00291850 0.00785118 -0.00169738
-0.22953222 7.23098025 -16.49677168
-0.00078868 0.00040648 -0.00116948
-0.00079227 0.00809351 0.00098021
0.68754633 0.65168169 -15.56807357
-0.00042330 0.00015523 -0.00025498
-0.00470130 0.00075969 -0.00368572
2.33258185 -1.04326615 -17.04519309
-0.00098894 -0.00003519 0.00067607
0.03280488 -0.01316836 -0.00603002
12.55438601 22.50314053 -22.21989501
-0.00012997 -0.00056008 -0.00039609
-0.03027505 -0.03352267 -0.02996330
10.16036085 20.90845962 -23.35393577
0.00048510 -0.00021024 -0.00020067
-0.03070777 0.00920427 0.00255051
-9.98409273 16.06839307 -17.42779351
-0.00074643 -0.00014569 -0.00012976
-0.02205631 -0.01091447 0.02623242
-10.86106885 15.67354117 -14.59625025
-0.00038677 0.00056084 -0.00088418
-0.00160817 -0.00072661 -0.00385073
3.42538287 18.69151268 11.36118899
0.00007286 0.00027903 0.00065907
-0.04384039 0.03101951 0.03393601
4.72343418 18.37834846 8.98685983
0.00004890 0.00024462 -0.00063678
0.00933000 -0.00447846 -0.01510907
-3.82336449 -10.54002328 -3.33205908
-0.00071317 0.00016400 0.00043303
-0.05605520 0.02181357 0.00239671
-1.56155341 -11.36744530 -1.71466847
-0.00155720 0.00070555 0.00022312
-0.01089396 0.00599255 -0.02545020
0.09011245 -7.43283686 5.04837029
-0.00004055 -0.00039992 -0.00019060
-0.00257842 0.00557030 -0.00438780
2.77098952 -8.46099645 5.03675848
0.00085124 -0.00020927 0.00080859
-0.01118006 0.00553161 -0.02179914
7.81709375 1.87277090 8.67618650
-0.00051585 0.00004495 -0.00102749
0.00220539 0.00348173 0.00342237
9.72514225 3.84366525 7.89105178
-0.00013607 0.00093725 0.00113385
0.00009189 0.02775393 -0.00419561
-8.14670704 -8.49335752 -4.33559909
-0.00047197 -0.00014066 0.00102964
0.00824742 -0.00719466 0.01152780
-7.94239950 -10.18703886 -2.01483841
-0.00064799 0.00008099 -0.00060890
-0.02076352 -0.01462945 0.01603275
4.70670384 -13.55438157 -12.06719356
-0.00002470 0.00036579 -0.00028416
-0.00887428 0.02180001 -0.01582934
2.40476812 -13.14716292 -13.84996491
-0.00011983 0.00052767 -0.00019874
-0.00492291 0.00456049 -0.00433148
1.32279188 -5.88467706 0.36035196
0.00042493 -0.00045299 0.00100231
0.00911350 -0.00102907 -0.00324415
-0.30074320 -3.78220187 -0.29584936
-0.00015079 -0.00019965 -0.00033427
-0.00620992 0.00932124 -0.00258027
17.41341316 3.29516783 25.70586116
-0.00020255 -0.00019661 -0.00022281
-0.00238210 0.00411847 0.00835867
16.67104148 3.47178431 28.55151266
-0.00013597 0.00014750 0.00061088
0.00810932 0.01933120 -0.03180822
-10.73599927 7.30554882 -3.51936402
0.00043821 0.00109772 0.00066389
-0.01457467 0.02793868 0.00865048
-8.32360201 6.87790384 -5.14354887
0.00004898 0.00041307 0.00040321
0.00908693 0.01414224 -0.01258491
-6.30900423 15.91177394 -9.09042022
0.00022595 0.00001057 0.00011664
0.00351143 0.00000010 -0.00454702
-4.66684199 14.41972926 -11.09312440
0.00066559 -0.00001440 -0.00035129
0.00191266 -0.00070296 0.00587464
2.71826334 10.96456736 -5.51561366
0.00005481 0.00043661 -0.00001262
0.00494561 0.01437323 -0.02456688
1.33641891 13.24585609 -7.00131035
0.00001467 0.00052271 0.00010319
0.02577807 -0.01155342 0.00683237
-2.52281223 11.16357891 -14.15652658
-0.00091344 0.00015218 0.00070405
0.00203764 -0.01198640 0.00346166
-5.25975255 10.66962673 -13.11607296
0.00057218 0.00047503 0.00002199
0.00835481 0.00330613 -0.00628553
4.63465249 7.43773667 19.00046664
0.00079568 -0.00079706 0.00006965
-0.00597530 0.00089027 -0.01662387
2.09229595 6.77967686 17.70826434
-0.00000963 -0.00043387 0.00044690
0.00915513 0.00727230 -0.01080588
-13.61404967 8.49349645 -8.95091470
0.00032451 -0.00084302 0.00022310
-0.03670134 0.00043864 -0.00928986
-16.07650608 8.44816471 -7.41817067
0.00090078 -0.00014336 0.00011185
-0.01485396 -0.00610158 0.01193739
5.18060905 10.52676261 0.72283062
0.00125461 -0.00008179 0.00045579
-0.02150945 -0.04276009 -0.00889217
2.30440822 10.38692535 0.83940228
-0.00025041 -0.00044681 -0.00113376
0.01576094 -0.03524567 -0.00292012
14.38642541 -23.75393221 -25.61859018
-0.00011090 0.00002574 0.00010148
-0.00573552 -0.00337223 -0.00039342
15.18160604 -24.77950723 -28.31776259
0.00033175 -0.00132248 0.00027249
0.00717563 0.01735420 0.03764507
3.95088021 3.72257682 -0.40455532
-0.00110433 0.00090147 0.00130001
0.02141477 0.00450025 0.01167285
5.53863530 5.75549941 1.09569721
0.00075118 0.00023531 0.00111568
-0.00458588 0.01143242 0.00110822
17.77832660 -3.68586911 -0.47913883
0.00114676 0.00036512 0.00023702
-0.00323800 0.00153117 0.00998076
16.16206380 -5.97426003 -1.00624197
-0.00049943 0.00091724 -0.00079997
-0.01602608 -0.01783714 -0.02304579
-6.55282253 2.83654554 -1.79488074
0.00103048 -0.00042155 -0.00037473
0.03044935 -0.00979891 -0.00699032
-4.92327710 1.33113198 -3.84244929
0.00009961 0.00051657 0.00065141
-0.00840619 -0.00975057 -0.00096578
2.50333639 2.90292031 -11.62052743
0.00036478 0.00051603 -0.00131512
0.01184826 0.00591210 -0.00310827
0.38126312 1.31906969 -10.66253725
0.00008940 0.00003784 -0.00193205
-0.01414051 -0.01699797 0.01592443
17.05596231 7.96892549 -7.91096528
-0.00068189 -0.00062693 -0.00083192
-0.02270916 0.01329832 0.00413147
15.60066400 10.59107779 -6.65565187
-0.00141649 -0.00025102 0.00096210
0.00798779 -0.02178153 -0.00733146
-7.24611700 0.85286191 11.11931048
-0.00086272 0.00115065 -0.00015472
0.01451696 0.00417909 0.00946197
-7.99409582 1.32717556 13.86047473
0.00065639 -0.00061022 0.00003150
-0.01575998 0.01384486 0.01674546
-2.43353806 -16.70564547 14.18414637
-0.00105862 -0.00002232 0.00044900
0.01409929 -0.00847901 0.02056784
-4.66501363 -17.47256433 12.43235292
0.00038737 -0.00034655 0.00047051
-0.04152127 -0.06099001 -0.01362112
7.07988348 -6.10780622 -4.52948984
0.00104897 0.00007037 -0.00063369
-0.00267776 -0.01418598 -0.01285447
5.50876382 -7.81765498 -6.43104185
0.00007517 0.00030389 -0.00051269
-0.01118479 -0.00201995 0.00992675
-2.82220164 -11.47599706 2.00970759
-0.00051763 -0.00009259 -0.00041775
0.00287933 -0.00017341 -0.00014309
-0.35786429 -10.11764455 1.91962427
0.00014318 0.00039536 -0.00063364
0.00720966 0.00852142 0.01203905
-14.64930336 -0.73591063 6.22292937
0.00000053 0.00037010 0.00060644
-0.02267986 -0.01904679 -0.01990520
-15.75970394 -1.85302101 3.59993481
0.00063837 0.00045218 0.00027859
0.00041345 0.00761198 0.02613504
-9.54913675 4.57297693 -23.64782860
-0.00012915 -0.00022361 -0.00070852
0.00053073 -0.00793719 0.01344477
-8.98223271 4.43993333 -20.57312877
-0.00011361 0.00007384 -0.00075849
-0.00623020 -0.01521050 -0.03674312
2.20576229 0.83526480 -3.25356070
0.00007654 -0.00112026 0.00040763
-0.01671109 -0.00390161 0.03256454
0.59978486 0.34724482 -0.45501861
-0.00115765 -0.00073005 0.00029198
0.00182887 -0.00352394 -0.01908792
14.12438144 9.33736413 3.34181277
-0.00007262 -0.00004787 -0.00043506
-0.02297226 -0.00863055 0.01130718
11.44449751 8.80657627 2.36392745
0.00003090 0.00002609 -0.00121129
-0.01147736 0.00942634 -0.01641944
5.39479041 -9.26933574 -10.55938395
-0.00007655 -0.00013952 -0.00001258
-0.00050998 0.00782230 -0.01053111
-12.98165508 10.40151680 21.27767444
0.00010429 -0.00003441 0.00009683
0.00758126 -0.00094395 -0.00359933
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06583434
0.31770741
423.32919921
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1846403461
ExchangeOperator: bisection time: 3.952 s
total exchange = -52.3504683999 (a.u.)
total exchange computation time: 3.3579490185 s
-154.0868778793
-931.38535401
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1846403461
ExchangeOperator: bisection time: 3.956 s
total exchange = -52.3503937388 (a.u.)
total exchange computation time: 3.3576660156 s
-154.0887222555
Anderson extrapolation: theta=1.3412555305 (1.3412555305)
-931.38559475
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1846403461
ExchangeOperator: bisection time: 3.948 s
total exchange = -52.3502280802 (a.u.)
total exchange computation time: 3.3578670025 s
-154.0916650912
Anderson extrapolation: theta=0.0506274195 (0.0506274195)
-931.38573694
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1846403461
ExchangeOperator: bisection time: 3.952 s
total exchange = -52.3501644435 (a.u.)
total exchange computation time: 3.3577110767 s
-154.0922660056
Anderson extrapolation: theta=1.8713775982 (1.8713775982)
-931.38574209
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1846403461
ExchangeOperator: bisection time: 3.957 s
total exchange = -52.3500251448 (a.u.)
total exchange computation time: 3.3579258919 s
-154.0935213100
Anderson extrapolation: theta=0.2197498485 (0.2197498485)
-931.38574751
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1846403461
ExchangeOperator: bisection time: 3.952 s
total exchange = -52.3499877958 (a.u.)
total exchange computation time: 3.3587808609 s
-154.0938185620
Anderson extrapolation: theta=1.8484562977 (1.8484562977)
-931.38574857
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1846403461
ExchangeOperator: bisection time: 3.947 s
total exchange = -52.3499323939 (a.u.)
total exchange computation time: 3.3571591377 s
-154.0942275672
Anderson extrapolation: theta=0.2916055843 (0.2916055843)
-931.38574992
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1846403461
ExchangeOperator: bisection time: 3.955 s
total exchange = -52.3499306159 (a.u.)
total exchange computation time: 3.3595900536 s
-154.0942074655
Anderson extrapolation: theta=1.2916163370 (1.2916163370)
-931.38575024
238.397951 30.815073 158.006743
-142.386111 489.948966 -805.962907
96.011839 520.764039 -647.956164
836.815779
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1846403461
ExchangeOperator: bisection time: 3.948 s
total exchange = -52.3499391542 (a.u.)
total exchange computation time: 3.3607959747 s
678.58238190
-1082.86518761
89.74145591
-389.73042418
-174.76403736
77.81617643
551.60419304
0.00000000
-931.38575049
-8.72207864 -3.95945057 3.64948512
0.00046332 -0.00011760 0.00003883
-0.00485474 0.00581157 0.00503828
-17.81457678 4.33868909 6.45837674
0.00013387 -0.00022922 -0.00007706
0.03482247 0.02394717 0.00505146
-15.55030507 -0.89317131 0.35959808
0.00000062 -0.00026863 -0.00032284
0.04367576 0.03434961 0.03997321
3.11228796 -20.56985012 15.49632172
-0.00031954 0.00015560 -0.00015011
0.00937124 -0.03816728 -0.00128388
7.72943503 16.01239986 -1.27724042
0.00036416 0.00003314 0.00012246
0.00798517 -0.01599328 -0.01919863
-9.91920598 9.44490368 11.03797793
-0.00022519 -0.00010543 -0.00014794
-0.01691276 0.03178865 0.00870986
-8.34001472 -0.44084797 -14.31973804
-0.00001457 0.00017696 0.00000037
0.01298588 -0.00086359 0.00704612
-10.79032687 2.38102937 -6.98001656
0.00003095 0.00012253 0.00014736
-0.02090165 -0.00704799 0.00585044
-0.37302394 -5.73165378 15.39858201
-0.00019093 0.00006138 0.00035359
-0.00747248 -0.00365214 -0.04449805
-25.73750846 -0.73091731 -20.67957701
-0.00028471 -0.00003294 0.00009982
-0.00617357 0.00279352 -0.01760807
8.87930651 7.50596034 7.84759646
-0.00001625 -0.00006153 -0.00010080
0.00459551 -0.00240065 -0.02241124
20.84374217 28.60371088 -5.04432397
0.00020007 -0.00029002 -0.00003771
-0.00730384 0.00669805 0.02576935
7.71530955 -1.55693742 -7.26094243
-0.00014252 -0.00004038 -0.00007687
-0.03346612 0.03238497 -0.00239877
-9.24607261 -3.46417731 13.55152520
0.00005602 0.00007131 0.00009725
0.03034215 0.00631076 -0.02546224
-1.26632220 -22.70535963 14.02731303
0.00004140 0.00017210 0.00028695
0.02068725 0.00617918 -0.00101347
-11.01895304 -8.66703671 -8.08237873
0.00021038 0.00015819 0.00016082
0.01406690 0.03369980 -0.01480253
-15.90563060 -8.59643876 -15.51356573
-0.00002501 -0.00000860 -0.00004769
-0.00335364 0.04449000 0.00357711
16.87729171 12.75892810 3.60482437
0.00045689 0.00015018 0.00004137
0.00069863 0.01245818 -0.01967911
20.11500685 -4.61309952 -14.78132379
-0.00030742 -0.00014316 -0.00010545
0.00421307 0.01125978 -0.00903008
-0.34879846 8.14942931 -14.91004871
0.00024114 -0.00003725 0.00001179
-0.00735326 -0.02526411 -0.00259287
0.62513749 -0.53188897 -16.99024646
-0.00012054 0.00047637 -0.00016049
-0.03443140 0.01817426 0.01483877
11.93346245 20.89880682 -23.18706704
0.00043841 -0.00028031 -0.00000968
0.05647889 0.01423130 0.02220108
-11.33116853 15.21312008 -16.29625398
-0.00010069 -0.00014135 -0.00004476
0.00952616 -0.00495193 -0.00780560
4.61641542 17.66752871 10.64176125
0.00036949 0.00011837 -0.00043237
0.02897907 -0.02702357 -0.01888993
-2.18728925 -11.08311820 -3.54171061
0.00016169 -0.00007967 -0.00006483
0.05898644 -0.02302657 0.01797082
1.30591353 -8.14376901 3.87072608
0.00009504 0.00007032 0.00037563
0.02454127 0.00195233 0.02782322
9.58085824 2.10030363 8.27444437
-0.00010202 0.00029098 0.00009741
-0.00910657 -0.02182520 0.00149521
-6.95159189 -9.14390268 -3.07120746
-0.00001798 0.00047027 -0.00012875
-0.00172597 0.01974046 -0.02250068
3.84246845 -12.24917020 -13.13910125
-0.00016350 0.00021732 -0.00026733
0.01333739 -0.02683097 0.01724432
1.25152523 -4.52104836 -0.87367296
0.00004840 0.00018163 0.00013174
-0.00151335 -0.01694484 0.01221835
17.18664246 4.53224622 27.04491923
0.00041285 0.00008953 -0.00029269
-0.00717580 -0.02850025 0.02587649
-9.72367931 6.06507848 -4.29670150
-0.00029691 -0.00011269 0.00051255
-0.00390394 -0.01406948 0.01974390
-4.77600498 14.93755807 -9.32691568
0.00030925 0.00000725 -0.00015897
-0.00183512 0.00019273 0.00258818
2.94179875 12.22848334 -6.90602173
-0.00022375 0.00013615 -0.00006530
-0.02769851 0.00599733 0.01593413
-4.09887598 11.96996580 -13.72611494
0.00026693 0.00014373 0.00008594
-0.01736942 0.01114495 0.00767164
3.85676732 7.31579020 17.29509584
-0.00003837 0.00012616 -0.00010923
-0.00744122 -0.00892133 0.03535999
-15.52314549 8.66059430 -9.12411477
-0.00046375 -0.00010313 -0.00008015
0.06387269 0.00070951 -0.00113316
3.75393604 9.20678373 0.58384208
-0.00001546 0.00010738 0.00018752
0.02052231 0.06592325 0.00966348
15.87354488 -24.06004788 -26.67955152
0.00009680 -0.00012301 -0.00006640
-0.00578015 -0.01958858 -0.03159741
5.67543526 4.15582747 0.26689868
-0.00014127 -0.00011565 0.00021575
-0.02241496 -0.01244545 -0.00783424
17.28017857 -5.31303494 0.20206242
0.00020168 -0.00015385 -0.00022884
0.01329404 0.00860967 0.01319248
-4.78027975 2.40439147 -2.37647581
-0.00029521 0.00000362 0.00036428
-0.00236182 0.02673078 0.01470738
0.76442698 2.53444415 -11.90842070
-0.00021462 0.00006181 0.00010200
0.00482205 0.02133105 -0.03419409
15.40225371 8.84043396 -7.25434721
0.00004881 0.00003912 0.00037424
0.01287190 0.00767888 0.00133148
-6.52260791 1.05134137 12.83659774
-0.00040291 0.00020372 0.00017253
0.01127519 -0.00904431 -0.03915620
-3.58895547 -16.22980612 12.89716321
-0.00010409 -0.00000090 -0.00003742
0.02666153 0.07052209 -0.01533908
6.99587472 -6.74277776 -6.32227016
-0.00026289 0.00038477 -0.00019027
0.00745189 0.01389311 0.01330731
-1.11161998 -11.66649390 1.30360385
-0.00004843 -0.00023265 -0.00043838
-0.02187455 -0.00402387 -0.00394770
-16.03964036 -1.80033982 5.50903012
0.00032610 -0.00006972 0.00049965
0.01971652 0.01316326 -0.00979711
-9.23944049 3.40857011 -22.18191417
-0.00014726 -0.00022706 -0.00021402
0.00781378 0.03258822 0.02755362
1.97438378 1.10750145 -1.38057514
-0.00016839 -0.00006482 -0.00027535
0.00563049 0.00988992 -0.01069857
12.53303470 8.43171639 3.75457983
0.00018306 -0.00030761 -0.00004518
0.02453832 0.00211800 -0.00464645
-7.15320759 -4.49527640 2.89274310
-0.00083605 0.00022335 0.00102364
0.00278429 0.00542513 -0.02223539
-10.07298677 -3.87545490 2.38705039
-0.00028236 0.00025634 -0.00034331
0.01850878 0.01083441 -0.00626757
-16.37570565 5.56566980 6.76177097
0.00020615 -0.00064805 -0.00025747
-0.02622071 -0.01499722 0.00253128
-17.27742152 3.65306467 4.86195081
-0.00021531 -0.00010392 -0.00105849
-0.00519564 -0.00649632 -0.00570114
-16.07795155 0.92090433 0.59705649
0.00054265 0.00086784 0.00007616
0.00182482 -0.02415040 -0.01263435
-16.70557741 -1.88906774 -0.47592512
0.00117272 0.00062020 -0.00011961
-0.04190173 -0.01377482 -0.02569566
1.42479446 -21.24071997 15.00343128
-0.00098674 0.00005595 0.00042303
0.00340082 0.02678839 0.00790996
3.36837426 -18.87080931 16.05220546
-0.00045624 -0.00025779 0.00010659
-0.01271459 0.01278277 -0.00377918
8.06324934 14.16156021 -1.23400822
-0.00007771 -0.00029433 -0.00013570
0.00286312 0.00843752 0.00220313
7.01505150 16.37746475 0.31610184
-0.00106737 0.00032594 0.00006384
-0.00818080 0.00565212 0.01648603
-8.67641027 9.35254637 12.44408026
-0.00063257 -0.00127485 -0.00000875
-0.00644827 -0.00779338 -0.00201704
-10.84987082 11.06385897 11.44925485
-0.00023764 -0.00034704 -0.00030451
0.02274688 -0.02608129 -0.00431528
-9.98544482 0.36023332 -14.48966623
-0.00108844 0.00052410 0.00009221
-0.00435456 -0.00104254 -0.00070790
-8.14511398 -1.66239022 -15.66576104
-0.00027053 0.00037993 -0.00198110
-0.00609487 0.00302377 -0.00288407
-12.07906086 1.04707804 -6.89927175
-0.00024082 -0.00088680 0.00027326
0.00567328 0.00783284 0.00000470
-11.24694982 3.73173338 -5.75084884
0.00037684 -0.00006458 -0.00046169
0.01373160 -0.01736037 -0.01775888
-1.97502000 -6.45414891 14.73532870
-0.00040059 -0.00041454 0.00010159
0.00672398 0.00839781 0.00303451
-0.45856511 -5.70178286 17.15317668
-0.00016430 -0.00041265 0.00045471
-0.00254876 -0.00321224 0.04256818
-24.61201512 -0.34124390 -19.35002343
0.00095634 0.00036673 -0.00107615
0.02031261 0.00302717 0.01798009
-25.70229427 0.66393145 -21.89540635
-0.00065866 -0.00137811 -0.00030401
-0.00751218 0.00002483 -0.00365642
9.67494618 8.16294681 6.27394278
0.00083377 -0.00125863 -0.00044271
0.00035720 -0.00696589 0.02476841
10.03506258 7.94379780 9.24267010
0.00028274 0.00027460 0.00001158
0.00252260 0.00120568 -0.00996398
19.84696116 27.54945051 -3.84096357
0.00013584 0.00007316 0.00039840
0.01044357 0.01335155 -0.01274487
20.40237489 30.47598957 -4.65840014
0.00040649 -0.00027050 -0.00061849
0.00193096 -0.02490439 -0.00000498
5.89008809 -0.90873680 -7.26854483
0.00019658 -0.00020665 -0.00057648
0.04281865 -0.01249266 0.00198949
7.64996403 -3.34805600 -7.06528056
0.00039401 0.00037000 0.00023056
-0.01265534 -0.01395209 0.00128897
-8.53421206 -2.17345961 12.31907320
0.00059860 -0.00031276 0.00046373
-0.02005870 -0.02528994 0.02358112
-11.04775558 -3.47432331 13.47333091
0.00064097 -0.00038988 0.00068364
-0.01077079 0.01643209 -0.00355805
-0.97100347 -24.27012913 14.90549915
0.00057826 -0.00063388 -0.00066784
-0.00477059 -0.01621416 -0.00100999
-2.98289457 -22.20882506 14.26801717
0.00018604 -0.00041346 0.00054127
-0.01713295 0.00164568 -0.00163804
-12.67147408 -8.24411835 -7.32976709
0.00005462 -0.00007024 -0.00081765
0.00233474 0.00209812 0.00479306
-10.39081204 -6.94961782 -8.64622035
-0.00104936 -0.00102182 0.00216087
-0.00840499 -0.03685724 0.01055450
-16.12399382 -10.30162541 -15.82056440
0.00025917 -0.00078544 0.00065061
-0.00240821 -0.04718703 -0.00075871
-14.25537091 -8.08645128 -16.19306434
-0.00007136 0.00035366 0.00013980
0.00198228 0.00215845 0.00054637
17.36820327 12.91169431 5.36242769
0.00011206 -0.00010310 0.00003204
-0.00300040 -0.00236786 0.00734593
17.07968765 14.42683096 2.79243521
-0.00043652 0.00052058 -0.00008219
0.00173568 -0.01701990 0.00469584
18.30962249 -4.52028941 -14.95579202
-0.00018576 -0.00081546 0.00039158
-0.00012971 0.00012607 0.00188565
20.73694749 -2.95449599 -15.39887916
0.00022548 0.00102481 -0.00041009
-0.00014008 -0.01576628 0.00278055
-0.55766051 6.74002191 -13.72120316
0.00149497 -0.00090866 -0.00029440
-0.00281487 0.00951134 -0.00340000
-0.24138670 7.23732538 -16.51428392
-0.00079255 0.00044456 -0.00115542
-0.00110325 0.01054811 0.00590378
0.68105272 0.65403338 -15.57201117
-0.00044269 0.00016143 -0.00026712
-0.00478682 0.00227809 -0.00225790
2.31875297 -1.04419757 -17.03523675
-0.00084352 -0.00009309 0.00065077
0.03838139 -0.01517038 -0.00635623
12.55150867 22.49371207 -22.22675453
-0.00025056 -0.00069196 -0.00051517
-0.02875281 -0.03103394 -0.02832465
10.16669638 20.90558804 -23.35686761
0.00035979 -0.00017312 -0.00019067
-0.03063222 0.00896697 0.00234097
-9.99596510 16.06587328 -17.42893614
-0.00083413 -0.00018970 -0.00002448
-0.02087125 -0.01062745 0.02530714
-10.86691974 15.68193150 -14.60963093
-0.00039065 0.00056077 -0.00088916
-0.00028904 0.00069407 0.00141328
3.42513231 18.69664859 11.37211490
-0.00009232 0.00039452 0.00078858
-0.03701685 0.02551790 0.02946387
4.72445352 18.38188047 8.97684521
0.00008566 0.00022572 -0.00069411
0.00866869 -0.00476977 -0.01295698
-3.83577975 -10.53689485 -3.32549017
-0.00092174 0.00024643 0.00043745
-0.04603992 0.01853500 -0.00023320
-1.58524528 -11.35667835 -1.71210161
-0.00159580 0.00072739 0.00012209
-0.00799982 0.00469566 -0.02400288
0.08942519 -7.43866498 5.04537677
-0.00005475 -0.00037476 -0.00020359
-0.00437324 0.00674488 -0.00196998
2.78341555 -8.46396596 5.04821930
0.00079767 -0.00018450 0.00071421
-0.01504298 0.00659008 -0.02439761
7.80942357 1.87355188 8.66087908
-0.00050427 0.00005944 -0.00101391
0.00346441 0.00361165 0.00322160
9.72310405 3.85857444 7.90793100
-0.00013617 0.00104354 0.00111833
-0.00014066 0.02427661 -0.00340288
-8.15353387 -8.49568783 -4.31980121
-0.00044311 -0.00016446 0.00106750
0.00587817 -0.00445566 0.00700163
-7.95275566 -10.18627229 -2.02348061
-0.00072756 0.00002397 -0.00054506
-0.01818319 -0.01328381 0.01521548
4.70606144 -13.54822675 -12.07194104
-0.00006114 0.00045359 -0.00034846
-0.00896253 0.02118091 -0.01564591
2.40281982 -13.13910818 -13.85307867
-0.00014223 0.00054437 -0.00021772
-0.00604401 0.00361678 -0.00496357
1.32944517 -5.89150342 0.37528728
0.00046047 -0.00044509 0.00097915
0.00828104 0.00489791 -0.00809730
-0.30319536 -3.78491091 -0.30094246
-0.00017759 -0.00016195 -0.00034371
-0.00690739 0.00913244 -0.00204015
17.41030189 3.29234493 25.70277513
-0.00021254 -0.00017972 -0.00018783
-0.00250584 0.00414645 0.00876495
16.66925046 3.47458923 28.55970111
-0.00010023 0.00023053 0.00047333
0.00938568 0.02131221 -0.03552344
-10.72987272 7.32287079 -3.50914057
0.00038290 0.00120395 0.00069578
-0.01249808 0.02405941 0.00695808
-8.32258887 6.88453321 -5.13788634
0.00008074 0.00046567 0.00035476
0.00646014 0.01160568 -0.01113470
-6.30550736 15.91193250 -9.08881002
0.00024140 0.00000956 0.00009697
0.00404960 -0.00049300 -0.00507725
-4.65679947 14.41949167 -11.09821379
0.00067250 -0.00001605 -0.00032448
0.00146747 -0.00010498 0.00725186
2.71923705 10.97155695 -5.51655580
0.00007422 0.00049311 -0.00011070
0.00455673 0.01328590 -0.02344451
1.33742894 13.25334264 -6.99955316
0.00011922 0.00047542 0.00013118
0.02539732 -0.01159125 0.00687095
-2.53645140 11.16549433 -14.14585970
-0.00088792 0.00009626 0.00071339
0.01045684 -0.01538892 0.00110650
-5.25091388 10.67685346 -13.11593571
0.00060099 0.00048445 -0.00000109
0.00574717 0.00130627 -0.00501397
4.64640452 7.42580804 19.00100191
0.00076830 -0.00079322 -0.00000327
-0.00742714 0.00099146 -0.01906796
2.09243211 6.77339169 17.71463666
0.00003042 -0.00040298 0.00040187
0.01044894 0.00784658 -0.01123332
-13.61030673 8.48086452 -8.94785283
0.00016642 -0.00083971 0.00018235
-0.04068484 0.00118248 -0.01065948
-16.06344959 8.44582737 -7.41612706
0.00083680 -0.00016854 0.00016382
-0.01646474 -0.00622428 0.01350194
5.19876912 10.52422550 0.72939492
0.00115849 -0.00025952 0.00041909
-0.02554463 -0.04423956 -0.00906898
2.30113500 10.37914321 0.82230639
-0.00018791 -0.00058609 -0.00114422
0.01483181 -0.03293219 -0.00219944
14.38458612 -23.75364940 -25.61708003
-0.00013121 0.00001104 0.00009728
-0.00420276 -0.00382551 -0.00166325
15.18680222 -24.79881262 -28.31252169
0.00036059 -0.00125037 0.00042614
0.00693908 0.01794170 0.03757007
3.93497147 3.73623678 -0.38469741
-0.00101373 0.00091928 0.00134721
0.02293311 0.00421948 0.01142908
5.54976252 5.75937932 1.11246640
0.00073355 0.00027242 0.00111511
-0.00404458 0.00673568 -0.00138793
17.79542883 -3.68034532 -0.47527774
0.00113063 0.00036380 0.00028081
-0.00465847 -0.00217810 0.01145689
16.15408121 -5.96104795 -1.01894768
-0.00055892 0.00084879 -0.00088769
-0.01309199 -0.01567184 -0.01989403
-6.53643221 2.82992199 -1.80071592
0.00113852 -0.00045714 -0.00039789
0.02243636 -0.00762111 -0.00434746
-4.92204061 1.33858170 -3.83270773
0.00006521 0.00047175 0.00063999
-0.00842971 -0.01218996 -0.00462263
2.50917115 2.91084195 -11.64034953
0.00040444 0.00053690 -0.00132752
0.00756729 0.00430214 -0.00296047
0.38217074 1.31911642 -10.69103001
0.00002835 -0.00004930 -0.00184785
-0.01574204 -0.02565695 0.02529383
17.04503810 7.95992905 -7.92331741
-0.00077179 -0.00057075 -0.00081360
-0.02129832 0.01420318 0.00483335
15.57966142 10.58664509 -6.64144508
-0.00138064 -0.00033675 0.00093195
0.00956093 -0.02018472 -0.00742628
-7.25861295 0.87024975 11.11727964
-0.00080157 0.00116735 -0.00011166
0.01541859 0.00399540 0.01161778
-7.98473297 1.31844652 13.86146037
0.00057961 -0.00055146 0.00010897
-0.02182161 0.01491644 0.02117554
-2.44898527 -16.70624005 14.19151166
-0.00099746 -0.00005674 0.00053620
0.01583564 -0.00836900 0.02211455
-4.66047540 -17.47963143 12.43899318
0.00021630 -0.00059682 0.00041392
-0.04222131 -0.06152101 -0.01408038
7.09553595 -6.10718539 -4.53938913
0.00103594 0.00001351 -0.00068103
-0.00369780 -0.01364712 -0.01031593
5.50954871 -7.81315852 -6.43842797
0.00002712 0.00029464 -0.00047051
-0.01233654 -0.00250794 0.01071834
-2.82987791 -11.47739126 2.00343700
-0.00049972 -0.00009306 -0.00041976
0.00588822 -0.00005557 -0.00084199
-0.35549574 -10.11145298 1.91048852
0.00016866 0.00042281 -0.00058663
0.00526356 0.00491184 0.01097635
-14.64999037 -0.73094285 6.23141600
-0.00009179 0.00029185 0.00052540
-0.02251070 -0.01925368 -0.01976451
-15.75011576 -1.84600505 3.60491452
0.00063874 0.00048247 0.00038704
-0.00023179 0.00721560 0.02695427
-9.55105769 4.56937956 -23.65804441
-0.00012597 -0.00025841 -0.00065110
0.00102514 -0.00909730 0.01466226
-8.98412780 4.44057477 -20.58563208
-0.00013873 0.00001296 -0.00090503
-0.00606619 -0.01458933 -0.03499003
2.20639830 0.81834127 -3.24644836
0.00000905 -0.00113622 0.00053434
-0.01632711 -0.00390632 0.02946064
0.58247612 0.33618604 -0.45122377
-0.00113438 -0.00073624 0.00020425
0.00956464 0.00049626 -0.02385879
14.12258825 9.33638154 3.33563341
-0.00016477 -0.00008303 -0.00038796
-0.02213652 -0.00857702 0.01174747
11.44460938 8.80725642 2.34525501
-0.00000642 0.00006050 -0.00126437
-0.00679127 0.00741852 -0.00956490
5.39364083 -9.27140760 -10.55960086
-0.00007675 -0.00013671 -0.00001635
-0.00064451 0.00788876 -0.01054042
-12.98007753 10.40099896 21.27912057
0.00010607 -0.00003464 0.00009599
0.00773065 -0.00099968 -0.00362546
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06584043
0.31991006
426.26411352
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 4.397 s
total exchange = -52.3466771921 (a.u.)
total exchange computation time: 3.2560069561 s
-154.0742214418
-931.38749872
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 4.397 s
total exchange = -52.3466624411 (a.u.)
total exchange computation time: 3.2558009624 s
-154.0756194613
Anderson extrapolation: theta=1.3514760725 (1.3514760725)
-931.38774045
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 4.402 s
total exchange = -52.3465683889 (a.u.)
total exchange computation time: 3.2558479309 s
-154.0779919159
Anderson extrapolation: theta=0.0548864127 (0.0548864127)
-931.38788588
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 4.403 s
total exchange = -52.3465001377 (a.u.)
total exchange computation time: 3.2551610470 s
-154.0785908743
Anderson extrapolation: theta=2.0168485209 (2.0000000000)
-931.38789205
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 4.398 s
total exchange = -52.3463396216 (a.u.)
total exchange computation time: 3.2566170692 s
-154.0799236573
Anderson extrapolation: theta=0.2510017346 (0.2510017346)
-931.38789946
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 4.407 s
total exchange = -52.3462912380 (a.u.)
total exchange computation time: 3.2551460266 s
-154.0802727606
Anderson extrapolation: theta=1.7857401348 (1.7857401348)
-931.38790114
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 4.401 s
total exchange = -52.3462197677 (a.u.)
total exchange computation time: 3.2552990913 s
-154.0807417292
Anderson extrapolation: theta=0.3069847447 (0.3069847447)
-931.38790326
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 4.409 s
total exchange = -52.3462138649 (a.u.)
total exchange computation time: 3.2549519539 s
-154.0807333627
Anderson extrapolation: theta=1.2377803868 (1.2377803868)
-931.38790379
238.394455 30.778253 157.990479
-142.417525 489.941931 -805.997986
95.976930 520.720185 -648.007507
836.824241
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 4.312 s
total exchange = -52.3462187882 (a.u.)
total exchange computation time: 3.2599298954 s
678.51951875
-1082.73023501
89.74433436
-389.82228641
-174.75301711
77.74156289
551.60419304
0.00000000
-931.38790421
-8.71514764 -3.96119221 3.65008704
0.00045687 -0.00011351 0.00004193
-0.02022313 0.01011554 0.00701113
-17.81243438 4.33534315 6.45724028
0.00015187 -0.00021778 -0.00007580
0.03515557 0.02053917 -0.00015571
-15.55012724 -0.89706829 0.35490963
0.00002527 -0.00024775 -0.00030022
0.05215787 0.04686973 0.04798870
3.10753094 -20.56766342 15.49406508
-0.00031540 0.00013519 -0.00015121
0.00676082 -0.04118799 -0.00300283
7.73492829 16.01283530 -1.27547756
0.00036784 0.00002495 0.00011376
0.00633002 -0.01585880 -0.01465380
-9.92264909 9.44344483 11.03579241
-0.00023385 -0.00008958 -0.00014371
-0.01676728 0.02983629 0.00775641
-8.34018325 -0.43819694 -14.31970534
-0.00000946 0.00017576 0.00000194
0.00692119 -0.00377802 -0.00092084
-10.78994320 2.38284013 -6.97778357
0.00001956 0.00011707 0.00014969
-0.02341539 -0.01419910 0.00318579
-0.37591678 -5.73074722 15.40371415
-0.00019530 0.00005932 0.00033091
-0.00951125 -0.00435661 -0.04367239
-25.74180297 -0.73140060 -20.67814763
-0.00028780 -0.00003248 0.00009176
-0.00582045 -0.00100363 -0.01374445
8.87908056 7.50502816 7.84599809
-0.00001335 -0.00006263 -0.00011216
0.00665530 -0.00189552 -0.02177753
20.84671502 28.59938643 -5.04479019
0.00019624 -0.00028680 -0.00002445
-0.00760144 0.00583097 0.02579220
7.71304273 -1.55741826 -7.26210469
-0.00015905 -0.00002314 -0.00007822
-0.03081991 0.03465485 -0.00284531
-9.24511521 -3.46308332 13.55288571
0.00007286 0.00007408 0.00008472
0.03512365 0.00446623 -0.02323689
-1.26562146 -22.70275429 14.03161337
0.00005263 0.00017458 0.00028661
0.02299016 0.00345639 -0.00029999
-11.01574306 -8.66453389 -8.08002346
0.00021666 0.00017290 0.00015415
0.01035877 0.02352135 -0.01114393
-15.90601863 -8.59639612 -15.51426729
-0.00002711 0.00001260 -0.00004615
-0.00481212 0.03792986 0.00241822
16.88414776 12.76122887 3.60536908
0.00045710 0.00015681 0.00003086
0.00012212 0.01333819 -0.02121508
20.11041173 -4.61520349 -14.78294045
-0.00030399 -0.00013579 -0.00011062
0.00913995 0.01741751 -0.01103763
-0.34520979 8.14877314 -14.90988192
0.00023734 -0.00005118 0.00000966
-0.00740614 -0.02892584 -0.00565831
0.62319656 -0.52467332 -16.99259650
-0.00013928 0.00048568 -0.00015324
-0.03843543 0.01803607 0.01335147
11.94025645 20.89465705 -23.18712657
0.00046655 -0.00027378 0.00000125
0.05295782 0.01118150 0.02031392
-11.33264217 15.21098071 -16.29695542
-0.00009647 -0.00014442 -0.00004980
0.00687726 -0.00698740 -0.01180346
4.62206952 17.66920006 10.63520291
0.00038250 0.00010625 -0.00044126
0.02160538 -0.02012817 -0.01569839
-2.18463642 -11.08440209 -3.54261378
0.00018839 -0.00009022 -0.00005554
0.04486697 -0.01798877 0.01815130
1.30743383 -8.14270669 3.87646778
0.00010894 0.00007077 0.00038974
0.02949074 -0.00020431 0.02708252
9.57929275 2.10458409 8.27591129
-0.00010694 0.00028085 0.00009800
-0.01001947 -0.01755756 0.00079491
-6.95186829 -9.13677255 -3.07322554
-0.00001902 0.00047913 -0.00013870
-0.00229945 0.01472138 -0.01618712
3.84006739 -12.24601388 -13.14304473
-0.00015640 0.00020401 -0.00025849
0.01425542 -0.02494167 0.01713740
1.25224543 -4.51838921 -0.87164979
0.00004796 0.00017157 0.00013905
-0.00019306 -0.02220416 0.01623225
17.19280748 4.53347920 27.04062872
0.00040892 0.00007454 -0.00027872
-0.00808168 -0.02979116 0.02844808
-9.72814808 6.06333384 -4.28893705
-0.00029874 -0.00011806 0.00052270
-0.00319976 -0.00679953 0.01973006
-4.77137331 14.93766752 -9.32929028
0.00030830 0.00000734 -0.00015780
-0.00186440 0.00015163 0.00195492
2.93833564 12.23054875 -6.90693981
-0.00023760 0.00013954 -0.00005754
-0.02614886 0.00719763 0.01424800
-4.09493909 11.97216468 -13.72479624
0.00025659 0.00015089 0.00009012
-0.02280961 0.01670350 0.00859519
3.85616303 7.31764817 17.29359385
-0.00004210 0.00012145 -0.00009045
-0.00706811 -0.00937878 0.03765544
-15.52985532 8.65905016 -9.12532136
-0.00042984 -0.00010290 -0.00008067
0.06798494 0.00015212 -0.00089995
3.75378327 9.20864869 0.58669219
-0.00000365 0.00014070 0.00019234
0.02541738 0.06363943 0.00905565
15.87497465 -24.06196862 -26.68066941
0.00009355 -0.00013299 -0.00008208
-0.00686372 -0.01920630 -0.02937734
5.67322972 4.15404467 0.27010470
-0.00015320 -0.00012082 0.00021245
-0.02398284 -0.00763712 -0.00500676
17.28325504 -5.31530944 0.19868068
0.00020796 -0.00014920 -0.00022338
0.01112939 0.00947516 0.00806208
-4.78471699 2.40454890 -2.37095495
-0.00029404 0.00001724 0.00037176
0.00689161 0.02623265 0.01439934
0.76122632 2.53545358 -11.90702265
-0.00021058 0.00007537 0.00008220
0.01086925 0.03138202 -0.04280366
15.40303555 8.84105037 -7.24872842
0.00005462 0.00004226 0.00037473
0.00971067 0.00452481 0.00055040
-6.52860808 1.05436222 12.83903464
-0.00039582 0.00019885 0.00015089
0.01630793 -0.00988709 -0.04500884
-3.59041401 -16.22954755 12.89654269
-0.00009118 0.00003471 -0.00004565
0.02354245 0.06793745 -0.01665436
6.99196012 -6.73695257 -6.32507288
-0.00025862 0.00039175 -0.00018435
0.00917065 0.01325312 0.00972278
-1.11243085 -11.66999911 1.29701291
-0.00005985 -0.00023368 -0.00043975
-0.02251360 0.00000136 -0.00138188
-16.03467278 -1.80133489 5.51648713
0.00033617 -0.00006297 0.00049431
0.01944542 0.01308048 -0.01097820
-9.24161929 3.40528995 -22.18501824
-0.00014348 -0.00021039 -0.00020070
0.00689873 0.03221172 0.02424682
1.97187958 1.10656729 -1.38474665
-0.00016740 -0.00006057 -0.00027872
-0.00175240 0.00665067 -0.00240899
12.53587519 8.42711039 3.75388417
0.00019409 -0.00030610 -0.00004937
0.01835443 0.00376307 -0.01163600
-7.16566309 -4.49175991 2.90741627
-0.00080280 0.00023798 0.00092220
0.01349632 0.00173441 -0.02741879
-10.07665505 -3.87127783 2.38170864
-0.00019784 0.00029984 -0.00036147
0.02286798 0.01045837 -0.00262176
-16.37341686 5.55548947 6.75798655
0.00010150 -0.00070684 -0.00024660
-0.02500548 -0.01378161 0.00278576
-17.28081043 3.65130675 4.84589881
-0.00023978 -0.00012603 -0.00107150
-0.00678058 -0.00432693 -0.00066806
-16.06975582 0.93318193 0.59781178
0.00055191 0.00075992 0.00002247
0.00270516 -0.02867787 -0.01364998
-16.68927058 -1.88018684 -0.47850659
0.00098263 0.00054872 -0.00023849
-0.05115100 -0.02121378 -0.03249821
1.41009759 -21.23905985 15.01001911
-0.00096801 0.00016683 0.00045610
0.00576936 0.02748696 0.00827800
3.36114099 -18.87428444 16.05368850
-0.00050736 -0.00020118 0.00009308
-0.01230682 0.01492712 -0.00283372
8.06217145 14.15740386 -1.23597624
-0.00006687 -0.00025664 -0.00012557
0.00244204 0.01001194 0.00275495
6.99879025 16.38252706 0.31756455
-0.00109629 0.00034568 0.00012084
-0.00597697 0.00401137 0.01141948
-8.68609637 9.33318487 12.44388724
-0.00065817 -0.00130485 -0.00001577
-0.00608330 -0.00689382 -0.00142030
-10.85273838 11.05785422 11.44455502
-0.00014522 -0.00045095 -0.00032093
0.02249534 -0.02478675 -0.00372652
-10.00190488 0.36806287 -14.48830482
-0.00109256 0.00051372 0.00009099
0.00234116 -0.00404012 0.00011074
-8.14935867 -1.65659856 -15.69556594
-0.00029683 0.00040381 -0.00197963
-0.00677784 0.00866486 0.00360626
-12.08249927 1.03401606 -6.89517264
-0.00021002 -0.00084514 0.00027328
0.00940328 0.01256024 0.00000120
-11.24087644 3.73023274 -5.75831836
0.00042928 -0.00013040 -0.00052829
0.01193902 -0.01485839 -0.01484156
-1.98082288 -6.46010967 14.73694549
-0.00036907 -0.00037821 0.00011563
0.00870640 0.00938490 0.00383992
-0.46110765 -5.70807105 17.16130174
-0.00017458 -0.00042597 0.00062489
-0.00248704 -0.00330780 0.04073601
-24.59704763 -0.33565020 -19.36561466
0.00103855 0.00037877 -0.00100340
0.01992986 0.00286564 0.01763203
-25.71240434 0.64326053 -21.90007850
-0.00068916 -0.00136942 -0.00032532
-0.00741667 0.00422924 -0.00677849
9.68746372 8.14385394 6.26806111
0.00083392 -0.00128693 -0.00034012
-0.00028493 -0.00688854 0.02545063
10.03938095 7.94795372 9.24253850
0.00029053 0.00027844 -0.00003182
0.00129343 0.00067481 -0.01128224
19.84931883 27.55095705 -3.83537807
0.00017917 0.00012839 0.00034557
0.01076727 0.01368253 -0.01311579
20.40853145 30.47116889 -4.66767760
0.00041391 -0.00037117 -0.00061736
0.00169839 -0.02437126 0.00055674
5.89434881 -0.91221933 -7.27713113
0.00036682 -0.00025624 -0.00056778
0.04051609 -0.01178141 0.00227088
7.65548631 -3.34293350 -7.06178269
0.00034167 0.00030757 0.00023627
-0.01296394 -0.01660810 0.00150941
-8.52584770 -2.17892597 12.32675182
0.00051639 -0.00041280 0.00055714
-0.02018303 -0.02367817 0.02214089
-11.03847110 -3.47966799 13.48347645
0.00058794 -0.00032206 0.00066732
-0.01518584 0.01676633 -0.00442840
-0.96247575 -24.28013425 14.89545056
0.00055739 -0.00069577 -0.00067417
-0.00544678 -0.01407832 -0.00208734
-2.98062905 -22.21497651 14.27608604
0.00011267 -0.00040620 0.00053539
-0.01878009 0.00190519 -0.00124259
-12.67058320 -8.24510761 -7.34188504
0.00006027 -0.00006324 -0.00079560
0.00043060 0.00132457 0.00600241
-10.40681001 -6.96607462 -8.61348395
-0.00107270 -0.00115044 0.00219432
-0.00302001 -0.02610089 0.00582087
-16.12018006 -10.31485298 -15.81082852
0.00025185 -0.00096413 0.00065017
-0.00117531 -0.04028397 0.00054517
-14.25638062 -8.08108017 -16.19095062
-0.00006327 0.00036154 0.00014153
0.00197711 0.00169897 0.00030037
17.36979222 12.91007520 5.36313336
0.00010045 -0.00011181 0.00006295
-0.00268281 -0.00189374 0.00778406
17.07319310 14.43411811 2.79134622
-0.00042898 0.00044833 -0.00006130
0.00195153 -0.01834643 0.00553292
18.30683213 -4.53251749 -14.94986051
-0.00018921 -0.00081314 0.00039844
-0.00155773 0.00100996 0.00146958
20.74032540 -2.93960702 -15.40494531
0.00021783 0.00094638 -0.00039396
-0.00360318 -0.02262354 0.00511623
-0.53532227 6.72668344 -13.72572337
0.00148351 -0.00086676 -0.00031148
-0.00279471 0.01099762 -0.00495982
-0.25330880 7.24431697 -16.53143433
-0.00079748 0.00049205 -0.00112188
-0.00131041 0.01269911 0.01051557
0.67426574 0.65652469 -15.57608715
-0.00046232 0.00017396 -0.00027322
-0.00482377 0.00385252 -0.00072625
2.30727634 -1.04605871 -17.02566997
-0.00067866 -0.00015816 0.00062451
0.04231961 -0.01668585 -0.00650049
12.54686918 22.48238167 -22.23534997
-0.00036400 -0.00081193 -0.00062632
-0.02677420 -0.02769324 -0.02608853
10.17115459 20.90326601 -23.35965598
0.00023760 -0.00013713 -0.00018131
-0.02918320 0.00865301 0.00224377
-10.00911658 16.06270218 -17.42852779
-0.00091613 -0.00023197 0.00007606
-0.01926679 -0.01006678 0.02390517
-10.87278835 15.69036436 -14.62292501
-0.00038917 0.00056668 -0.00087249
0.00101370 0.00219546 0.00674447
3.42261313 18.70334840 11.38484654
-0.00022685 0.00048526 0.00089756
-0.02883376 0.01889709 0.02387873
4.72600412 18.38512015 8.96603650
0.00011956 0.00020555 -0.00074203
0.00792450 -0.00510404 -0.01049783
-3.85101661 -10.53263047 -3.31893556
-0.00108643 0.00031452 0.00043067
-0.03458044 0.01479654 -0.00308606
-1.60942743 -11.34562362 -1.71100580
-0.00162239 0.00074385 0.00002792
-0.00501469 0.00336379 -0.02209476
0.08846990 -7.44407974 5.04226252
-0.00007621 -0.00034489 -0.00020676
-0.00613205 0.00787806 0.00041739
2.79491965 -8.46653159 5.05818488
0.00072969 -0.00015573 0.00061042
-0.01823595 0.00749688 -0.02640828
7.80196572 1.87455420 8.64576909
-0.00048767 0.00007446 -0.00100111
0.00466116 0.00374125 0.00304574
9.72105723 3.87497145 7.92460167
-0.00013740 0.00113388 0.00110625
-0.00046195 0.01994338 -0.00251098
-8.16000045 -8.49829120 -4.30357423
-0.00042478 -0.00017670 0.00108614
0.00309507 -0.00153564 0.00212453
-7.96422620 -10.18631984 -2.03119031
-0.00079536 -0.00002635 -0.00048567
-0.01500470 -0.01134905 0.01385617
4.70486977 -13.54077384 -12.07764741
-0.00009725 0.00053770 -0.00041114
-0.00871346 0.01999227 -0.01503604
2.40050110 -13.13083179 -13.85649663
-0.00016901 0.00055732 -0.00023915
-0.00706414 0.00272259 -0.00552607
1.33660597 -5.89802961 0.38972634
0.00049248 -0.00041407 0.00093712
0.00738730 0.01028652 -0.01247481
-0.30607084 -3.78706027 -0.30616060
-0.00020666 -0.00012537 -0.00035107
-0.00732442 0.00877018 -0.00156351
17.40703704 3.28977616 25.70022626
-0.00022296 -0.00016298 -0.00015163
-0.00259448 0.00404721 0.00895754
16.66803465 3.47870030 28.56571247
-0.00005990 0.00032035 0.00032256
0.01035559 0.02265343 -0.03827764
-10.72451213 7.34166727 -3.49849070
0.00033691 0.00129290 0.00072002
-0.01001525 0.01948360 0.00490878
-8.32117981 6.89187385 -5.13290621
0.00010118 0.00050754 0.00031257
0.00354643 0.00889017 -0.00951339
-6.30176230 15.91206085 -9.08751098
0.00025880 0.00000671 0.00007521
0.00446843 -0.00090519 -0.00557893
-4.64666701 14.41924764 -11.10285875
0.00067761 -0.00001538 -0.00029241
0.00103517 0.00043626 0.00844535
2.72049002 10.97936077 -5.51893477
0.00009186 0.00054424 -0.00020308
0.00407919 0.01174207 -0.02177642
1.33999547 13.26011881 -6.99737488
0.00022095 0.00042874 0.00015923
0.02440114 -0.01126113 0.00685647
-2.54944972 11.16646663 -14.13512501
-0.00082812 0.00002642 0.00071317
0.01881548 -0.01879560 -0.00121042
-5.24172300 10.68416025 -13.11610575
0.00061864 0.00048531 -0.00001873
0.00289319 -0.00088511 -0.00362139
4.65770136 7.41394016 19.00036859
0.00073543 -0.00078886 -0.00008506
-0.00865878 0.00113937 -0.02097111
2.09320865 6.76758741 17.72032053
0.00007508 -0.00036996 0.00035531
0.01141160 0.00831884 -0.01156188
-13.60905721 8.46830507 -8.94544424
-0.00000556 -0.00083353 0.00013632
-0.04350035 0.00184503 -0.01187009
-16.05140215 8.44310858 -7.41325597
0.00076687 -0.00019403 0.00022066
-0.01776439 -0.00625479 0.01431748
5.21536366 10.51897711 0.73540342
0.00104742 -0.00044154 0.00038183
-0.02882261 -0.04486457 -0.00917124
2.29877077 10.36934278 0.80507570
-0.00013069 -0.00071470 -0.00115158
0.01318159 -0.03002500 -0.00140132
14.38248926 -23.75360104 -25.61567181
-0.00014506 -0.00000550 0.00008793
-0.00257752 -0.00426885 -0.00291345
15.19242367 -24.81701843 -28.30497827
0.00038795 -0.00117665 0.00057774
0.00645412 0.01814539 0.03663880
3.92046822 3.75015534 -0.36413905
-0.00091784 0.00093576 0.00139301
0.02400849 0.00384319 0.01099053
5.56064186 5.76367203 1.12915052
0.00071801 0.00029019 0.00110410
-0.00356450 0.00196051 -0.00400100
17.81224556 -3.67495503 -0.47071450
0.00110872 0.00034787 0.00033028
-0.00606572 -0.00562238 0.01275765
16.14529627 -5.94879633 -1.03287262
-0.00060492 0.00078982 -0.00096100
-0.00942679 -0.01319241 -0.01599256
-6.51866686 2.82283137 -1.80681754
0.00121095 -0.00048309 -0.00040934
0.01301892 -0.00507988 -0.00125551
-4.92132074 1.34528434 -3.82324947
0.00003092 0.00041744 0.00061425
-0.00835761 -0.01439386 -0.00797967
2.51546968 2.91902725 -11.66035307
0.00042604 0.00055089 -0.00133915
0.00300243 0.00254521 -0.00273291
0.38211359 1.31759074 -10.71797260
-0.00003874 -0.00017097 -0.00172713
-0.01709978 -0.03390451 0.03379693
17.03280859 7.95180306 -7.93537332
-0.00085527 -0.00051134 -0.00079269
-0.01956544 0.01487750 0.00540215
15.55924479 10.58097535 -6.62769341
-0.00133845 -0.00041490 0.00090177
0.01109037 -0.01807335 -0.00734856
-7.27016396 0.88788245 11.11596079
-0.00073721 0.00118310 -0.00006061
0.01608466 0.00371459 0.01337205
-7.97670749 1.31063166 13.86374379
0.00047934 -0.00048874 0.00020359
-0.02726261 0.01578887 0.02514150
-2.46346198 -16.70734753 14.20023228
-0.00093071 -0.00009008 0.00062814
0.01683907 -0.00795505 0.02289071
-4.65852476 -17.49046891 12.44477052
0.00004742 -0.00084343 0.00035766
-0.04044316 -0.05919810 -0.01346117
7.11096178 -6.10740094 -4.54992064
0.00101900 -0.00004082 -0.00071721
-0.00459704 -0.01294717 -0.00739488
5.50957753 -7.80881577 -6.44515721
-0.00002500 0.00028375 -0.00042520
-0.01317953 -0.00282194 0.01146294
-2.83719332 -11.47878886 1.99711481
-0.00047002 -0.00009305 -0.00042444
0.00865145 0.00005974 -0.00145095
-0.35280460 -10.10496039 1.90202547
0.00018605 0.00043505 -0.00054410
0.00324838 0.00108331 0.00984123
-14.65205698 -0.72715505 6.23869134
-0.00018212 0.00021381 0.00044580
-0.02170932 -0.01894851 -0.01919873
-15.74054179 -1.83854688 3.61154616
0.00063655 0.00051095 0.00049773
-0.00083843 0.00672730 0.02722886
-9.55291581 4.56522465 -23.66736163
-0.00012090 -0.00029746 -0.00058926
0.00145372 -0.01001745 0.01561119
-8.98639466 4.44032208 -20.60027978
-0.00016290 -0.00004433 -0.00104269
-0.00576608 -0.01345338 -0.03239350
2.20603368 0.80117833 -3.23753050
-0.00005655 -0.00115248 0.00064688
-0.01578205 -0.00405340 0.02562799
0.56575356 0.32515767 -0.44889115
-0.00108123 -0.00072684 0.00009837
0.01644872 0.00410229 -0.02797154
14.11943841 9.33487330 3.33017401
-0.00025223 -0.00011726 -0.00033943
-0.02067755 -0.00817952 0.01200861
11.44430504 8.80839123 2.32599637
-0.00002480 0.00008670 -0.00128945
-0.00220890 0.00540556 -0.00271341
5.39248779 -9.27343711 -10.55987436
-0.00007701 -0.00013387 -0.00002012
-0.00076854 0.00796661 -0.01055426
-12.97847306 10.40047765 21.28055408
0.00010788 -0.00003488 0.00009514
0.00790330 -0.00107366 -0.00366183
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06613890
0.32176531
428.73614756
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 4.940 s
total exchange = -52.3435504885 (a.u.)
total exchange computation time: 3.2621848583 s
-154.0678487823
-931.38885012
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 4.944 s
total exchange = -52.3436341010 (a.u.)
total exchange computation time: 3.2602698803 s
-154.0686342244
Anderson extrapolation: theta=1.3483373289 (1.3483373289)
-931.38909149
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 4.943 s
total exchange = -52.3436975373 (a.u.)
total exchange computation time: 3.2617759705 s
-154.0700043745
Anderson extrapolation: theta=0.0531251160 (0.0531251160)
-931.38923564
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 4.947 s
total exchange = -52.3436577323 (a.u.)
total exchange computation time: 3.2616550922 s
-154.0704056928
Anderson extrapolation: theta=1.9632808446 (1.9632808446)
-931.38924137
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 4.948 s
total exchange = -52.3435643487 (a.u.)
total exchange computation time: 3.2618129253 s
-154.0712634946
Anderson extrapolation: theta=0.2333432998 (0.2333432998)
-931.38924791
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 4.946 s
total exchange = -52.3435394724 (a.u.)
total exchange computation time: 3.2626318932 s
-154.0714406699
Anderson extrapolation: theta=1.8364909737 (1.8364909737)
-931.38924928
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 4.946 s
total exchange = -52.3435081653 (a.u.)
total exchange computation time: 3.2637150288 s
-154.0716141769
Anderson extrapolation: theta=0.2873457151 (0.2873457151)
-931.38925099
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 4.945 s
total exchange = -52.3435133813 (a.u.)
total exchange computation time: 3.2616159916 s
-154.0715231963
Anderson extrapolation: theta=1.2712554143 (1.2712554143)
-931.38925138
282.760116 30.729158 157.977964
-142.453513 489.930584 -806.032857
140.306602 520.659742 -648.054893
843.058511
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 4.946 s
total exchange = -52.3435296869 (a.u.)
total exchange computation time: 3.2605321407 s
678.47676255
-1082.63684102
89.74569742
-389.88601395
-174.74532698
77.68908381
551.60419304
0.00000000
-931.38925167
-8.70837264 -3.96285582 3.65074304
0.00044260 -0.00010716 0.00004610
-0.03527377 0.01455945 0.00921397
-17.81002076 4.33215567 6.45610262
0.00016984 -0.00020820 -0.00007722
0.03474373 0.01673607 -0.00534028
-15.54954703 -0.90060369 0.35059139
0.00005388 -0.00022104 -0.00027384
0.05909808 0.05696965 0.05462475
3.10282608 -20.56579446 15.49178527
-0.00031250 0.00011344 -0.00015312
0.00451088 -0.04337005 -0.00440072
7.74047038 16.01314840 -1.27382774
0.00037059 0.00001693 0.00010749
0.00434916 -0.01531673 -0.00971785
-9.92622156 9.44221616 11.03366672
-0.00024231 -0.00007493 -0.00014001
-0.01613867 0.02714056 0.00662561
-8.34029838 -0.43557505 -14.31967974
-0.00000738 0.00017321 -0.00000045
0.00115629 -0.00613973 -0.00840365
-10.78974017 2.38454136 -6.97552600
0.00000706 0.00010791 0.00015050
-0.02517722 -0.02142160 0.00000115
-0.37888299 -5.72987427 15.40850938
-0.00020064 0.00005694 0.00030918
-0.01123449 -0.00487023 -0.04085649
-25.74614239 -0.73189164 -20.67682427
-0.00029049 -0.00003389 0.00008591
-0.00464435 -0.00450594 -0.00899307
8.87890595 7.50408135 7.84423171
-0.00000946 -0.00006353 -0.00012310
0.00847129 -0.00159572 -0.02077903
20.84962923 28.59510696 -5.04505744
0.00019235 -0.00028404 -0.00001129
-0.00750763 0.00487538 0.02538938
7.71053815 -1.55763175 -7.26328889
-0.00017396 -0.00000503 -0.00007976
-0.02717165 0.03580097 -0.00317761
-9.24388683 -3.46195488 13.55406695
0.00009188 0.00007576 0.00007348
0.03883403 0.00204461 -0.02047165
-1.26474336 -22.70012229 14.03591139
0.00006487 0.00017562 0.00028670
0.02460934 0.00061082 0.00062292
-11.01245317 -8.66184962 -8.07775417
0.00022084 0.00018183 0.00014948
0.00589232 0.01119901 -0.00701793
-15.90644379 -8.59606087 -15.51495018
-0.00002997 0.00003004 -0.00004524
-0.00634225 0.02990089 0.00110355
16.89100476 12.76363255 3.60575013
0.00045702 0.00016379 0.00001968
-0.00043948 0.01377066 -0.02224418
20.10588712 -4.61717309 -14.78464226
-0.00029814 -0.00012550 -0.00011672
0.01360418 0.02259799 -0.01269470
-0.34167826 8.14789381 -14.90975879
0.00023352 -0.00006685 0.00000603
-0.00745379 -0.03200107 -0.00846584
0.62095911 -0.51731853 -16.99484354
-0.00015959 0.00049477 -0.00014680
-0.04052718 0.01729500 0.01165833
11.94745900 20.89059353 -23.18702939
0.00049243 -0.00026903 0.00001103
0.04766423 0.00726596 0.01770438
-11.33406275 15.20878743 -16.29774793
-0.00009371 -0.00014861 -0.00005673
0.00386019 -0.00931375 -0.01514904
4.62789029 17.67071612 10.62852346
0.00039153 0.00009783 -0.00044837
0.01353549 -0.01260108 -0.01196985
-2.18163746 -11.08582476 -3.54337691
0.00020766 -0.00009811 -0.00004626
0.03003996 -0.01269002 0.01794407
1.30918164 -8.14164593 3.88241842
0.00012517 0.00007017 0.00040336
0.03363078 -0.00212208 0.02587441
9.57764997 2.10872910 8.27738434
-0.00011229 0.00027308 0.00009821
-0.01077802 -0.01264535 0.00002675
-6.95216242 -9.12952885 -3.07536850
-0.00002038 0.00048526 -0.00014524
-0.00301291 0.00910927 -0.00923157
3.83777631 -12.24304998 -13.14685600
-0.00014897 0.00019179 -0.00024984
0.01466327 -0.02258090 0.01649433
1.25296414 -4.51590135 -0.86950140
0.00004814 0.00015900 0.00014831
0.00086011 -0.02664551 0.01975116
17.19891015 4.53448234 27.03655768
0.00040461 0.00005908 -0.00026362
-0.00870300 -0.03031100 0.03026187
-9.73264153 6.06153674 -4.28102039
-0.00030022 -0.00011954 0.00053287
-0.00254663 0.00104653 0.01981825
-4.76675603 14.93777813 -9.33164980
0.00030736 0.00000740 -0.00015692
-0.00178652 0.00008971 0.00149623
2.93467080 12.23266968 -6.90774798
-0.00025047 0.00014357 -0.00005077
-0.02391890 0.00846762 0.01208611
-4.09117817 11.97449242 -13.72341123
0.00024364 0.00016089 0.00009471
-0.02758193 0.02218038 0.00925536
3.85550423 7.31943379 17.29238236
-0.00004561 0.00011653 -0.00007067
-0.00655986 -0.00975883 0.03924843
-15.53604067 8.65750719 -9.12653488
-0.00039420 -0.00010297 -0.00008091
0.07060166 -0.00040675 -0.00001907
3.75382658 9.21100461 0.58961216
0.00001065 0.00017249 0.00019681
0.03020150 0.05998642 0.00833794
15.87635147 -24.06403752 -26.68201393
0.00008980 -0.00014266 -0.00009641
-0.00772151 -0.01841382 -0.02634988
5.67083917 4.15220296 0.27327210
-0.00016580 -0.00012349 0.00021065
-0.02498539 -0.00276876 -0.00196844
17.28641737 -5.31751084 0.19536113
0.00021297 -0.00014423 -0.00022063
0.00837132 0.00984339 0.00262483
-4.78910106 2.40490870 -2.36532301
-0.00028779 0.00003043 0.00037886
0.01741606 0.02504989 0.01320963
0.75810952 2.53670511 -11.90595481
-0.00020354 0.00009382 0.00005833
0.01651270 0.04039787 -0.05001239
15.40389230 8.84170168 -7.24310539
0.00005874 0.00004371 0.00037480
0.00632625 0.00112146 -0.00026057
-6.53448243 1.05730680 12.84112431
-0.00038632 0.00019364 0.00012655
0.02060956 -0.01034960 -0.04961543
-3.59169092 -16.22876486 12.89579369
-0.00008026 0.00006821 -0.00005458
0.01890985 0.06232088 -0.01808438
6.98811627 -6.73102514 -6.32780058
-0.00025358 0.00039831 -0.00018035
0.01042682 0.01225363 0.00583109
-1.11341540 -11.67350430 1.29041132
-0.00007149 -0.00023263 -0.00043982
-0.02277618 0.00406396 0.00111608
-16.02955519 -1.80222904 5.52385945
0.00034593 -0.00005639 0.00048840
0.01848832 0.01252968 -0.01199191
-9.24374487 3.40225829 -22.18793525
-0.00014019 -0.00019413 -0.00018923
0.00589249 0.03103007 0.02034854
1.96936186 1.10568443 -1.38893676
-0.00017000 -0.00005783 -0.00027784
-0.00837451 0.00398011 0.00583655
12.53885727 8.42253342 3.75309875
0.00020185 -0.00030384 -0.00005703
0.01184927 0.00500736 -0.01817197
-7.17729145 -4.48813712 2.92040904
-0.00072526 0.00023728 0.00079958
0.02445683 -0.00207593 -0.03260160
-10.07892183 -3.86645981 2.37620620
-0.00009652 0.00034171 -0.00036544
0.02672731 0.01003813 0.00067908
-16.37266056 5.54446452 6.75437286
0.00000302 -0.00075976 -0.00023458
-0.02320229 -0.01212007 0.00310081
-17.28461489 3.64928365 4.82980586
-0.00027045 -0.00013941 -0.00106416
-0.00823363 -0.00222237 0.00425834
-16.06139431 0.94370198 0.59773052
0.00056419 0.00063533 -0.00003507
0.00330547 -0.03230858 -0.01451352
-16.67609861 -1.87260605 -0.48307976
0.00075843 0.00044989 -0.00038278
-0.05859634 -0.02716555 -0.03813151
1.39575430 -21.23571516 15.01711425
-0.00094023 0.00028001 0.00049037
0.00782818 0.02791529 0.00849817
3.35315348 -18.87684475 16.05499788
-0.00055683 -0.00013693 0.00008313
-0.01190687 0.01652628 -0.00203776
8.06124322 14.15386110 -1.23777543
-0.00005766 -0.00021308 -0.00011320
0.00206439 0.01130831 0.00330288
6.98216270 16.38783521 0.31972712
-0.00111555 0.00035850 0.00015639
-0.00344984 0.00226067 0.00597954
-8.69615529 9.31340088 12.44360716
-0.00068228 -0.00133121 -0.00002041
-0.00571824 -0.00601017 -0.00084868
-10.85422729 11.05033039 11.43962681
-0.00005482 -0.00054805 -0.00033463
0.02175324 -0.02274093 -0.00297875
-10.01822147 0.37564482 -14.48693663
-0.00107015 0.00049162 0.00009308
0.00862490 -0.00677756 0.00091221
-8.15401876 -1.65027586 -15.72514982
-0.00032559 0.00044995 -0.00195135
-0.00730063 0.01392162 0.01023502
-12.08536138 1.02172385 -6.89107345
-0.00016509 -0.00078522 0.00027329
0.01258691 0.01676908 0.00000733
-11.23407136 3.72782148 -5.76669746
0.00047406 -0.00018474 -0.00058189
0.00997825 -0.01174381 -0.01139946
-1.98609217 -6.46549527 14.73879762
-0.00033021 -0.00033822 0.00013267
0.01031673 0.01018939 0.00450324
-0.46380262 -5.71456197 17.17192335
-0.00018445 -0.00043968 0.00078384
-0.00234047 -0.00340168 0.03707225
-24.58085872 -0.32988088 -19.38012530
0.00111758 0.00038965 -0.00093392
0.01875543 0.00246346 0.01637500
-25.72296895 0.62284881 -21.90516608
-0.00071926 -0.00134375 -0.00035941
-0.00731912 0.00833687 -0.00990677
9.69996380 8.12433890 6.26373921
0.00083181 -0.00131452 -0.00023585
-0.00074943 -0.00661882 0.02558893
10.04377860 7.95215100 9.24171545
0.00029346 0.00028016 -0.00008020
0.00013866 0.00016665 -0.01239968
19.85233639 27.55330214 -3.83059637
0.00022321 0.00018425 0.00029199
0.01079092 0.01366303 -0.01311184
20.41479210 30.46485458 -4.67692094
0.00042023 -0.00046882 -0.00061389
0.00139643 -0.02342962 0.00114097
5.90109261 -0.91642390 -7.28557825
0.00052553 -0.00030216 -0.00055805
0.03717544 -0.01069960 0.00249445
7.66021408 -3.33882885 -7.05819232
0.00028823 0.00023572 0.00024275
-0.01319680 -0.01856240 0.00165929
-8.51872028 -2.18584349 12.33578737
0.00043456 -0.00050490 0.00064335
-0.01987385 -0.02140952 0.02006025
-11.03011729 -3.48398512 13.49335059
0.00051810 -0.00025306 0.00064763
-0.01900288 0.01701200 -0.00521018
-0.95428185 -24.29100218 14.88527405
0.00053367 -0.00074823 -0.00068511
-0.00616079 -0.01160372 -0.00327004
-2.97951449 -22.22101120 14.28407876
0.00003394 -0.00039831 0.00053085
-0.01976016 0.00195888 -0.00097757
-12.66966592 -8.24601569 -7.35363513
0.00005825 -0.00005960 -0.00076879
-0.00141826 0.00046086 0.00712245
-10.42299307 -6.98413103 -8.58039081
-0.00107261 -0.00123048 0.00220767
0.00306598 -0.01308093 0.00071691
-16.11643832 -10.33054940 -15.80105923
0.00024981 -0.00111152 0.00065536
0.00017810 -0.03186545 0.00199383
-14.25726915 -8.07560494 -16.18881849
-0.00005532 0.00036745 0.00014229
0.00191830 0.00119297 0.00007082
17.37121674 12.90834003 5.36431608
0.00008998 -0.00011864 0.00009512
-0.00244356 -0.00144906 0.00796289
17.06681815 14.44028088 2.79059633
-0.00042047 0.00037163 -0.00003740
0.00221658 -0.01919752 0.00616602
18.30394630 -4.54468368 -14.94383893
-0.00019828 -0.00080727 0.00040364
-0.00288320 0.00186574 0.00107833
20.74348248 -2.92610456 -15.41069790
0.00019679 0.00084199 -0.00036902
-0.00669854 -0.02847691 0.00709050
-0.51315530 6.71401897 -13.73054755
0.00147196 -0.00081925 -0.00033454
-0.00285710 0.01225975 -0.00633067
-0.26531121 7.25208684 -16.54794029
-0.00080305 0.00054761 -0.00107037
-0.00141621 0.01449732 0.01469667
0.66718313 0.65925210 -15.58020764
-0.00048199 0.00019293 -0.00027293
-0.00480671 0.00543576 0.00086631
2.29839331 -1.04894247 -17.01650157
-0.00050168 -0.00022815 0.00059798
0.04431092 -0.01757327 -0.00648587
12.54058881 22.46935406 -22.24554427
-0.00046841 -0.00091637 -0.00072710
-0.02433647 -0.02343110 -0.02324022
10.17382427 20.90147428 -23.36230684
0.00012392 -0.00010258 -0.00017212
-0.02645968 0.00825528 0.00225596
-10.02344885 16.05891412 -17.42665438
-0.00099060 -0.00027134 0.00016970
-0.01718934 -0.00920497 0.02193262
-10.87859483 15.69893178 -14.63580573
-0.00038253 0.00057874 -0.00083435
0.00223563 0.00371130 0.01192547
3.41832684 18.71120634 11.39904161
-0.00032641 0.00054773 0.00098219
-0.01990253 0.01168555 0.01754980
4.72804038 18.38804703 8.95458442
0.00015030 0.00018396 -0.00077944
0.00712240 -0.00546503 -0.00781799
-3.86837278 -10.52745927 -3.31257008
-0.00120306 0.00036695 0.00041203
-0.02251004 0.01086839 -0.00603657
-1.63391691 -11.33436273 -1.71126409
-0.00163668 0.00075485 -0.00005754
-0.00198230 0.00201640 -0.01973559
0.08713880 -7.44901167 5.03917385
-0.00010460 -0.00031058 -0.00020043
-0.00776599 0.00891870 0.00268514
2.80530615 -8.46863776 5.06653199
0.00065002 -0.00012357 0.00049962
-0.02075919 0.00824413 -0.02783114
7.79479353 1.87578581 8.63084577
-0.00046638 0.00009001 -0.00098896
0.00576034 0.00386639 0.00290199
9.71898210 3.89259071 7.94111845
-0.00014009 0.00120520 0.00109788
-0.00085344 0.01497088 -0.00158496
-8.16627734 -8.50098869 -4.28721704
-0.00041849 -0.00017679 0.00108441
-0.00001377 0.00148857 -0.00296964
-7.97661631 -10.18706293 -2.03805082
-0.00084922 -0.00006782 -0.00043267
-0.01136085 -0.00894870 0.01209019
4.70314408 -13.53209568 -12.08427528
-0.00013164 0.00061580 -0.00047045
-0.00812122 0.01823505 -0.01399693
2.39774944 -13.12238854 -13.86025326
-0.00019965 0.00056678 -0.00026269
-0.00793231 0.00190643 -0.00599554
1.34421951 -5.90392538 0.40340087
0.00052075 -0.00036234 0.00087836
0.00645200 0.01503415 -0.01629021
-0.30939521 -3.78867213 -0.31147456
-0.00023681 -0.00009063 -0.00035664
-0.00743376 0.00823775 -0.00116328
17.40361319 3.28745542 25.69822637
-0.00023365 -0.00014689 -0.00011507
-0.00263937 0.00383073 0.00893549
16.66745350 3.48419972 28.56937794
-0.00001624 0.00041439 0.00016253
0.01101571 0.02337907 -0.04005761
-10.71976534 7.36165783 -3.48753998
0.00030153 0.00136213 0.00073542
-0.00730440 0.01440388 0.00262970
-8.31955340 6.89975933 -5.12850912
0.00010941 0.00053810 0.00027720
0.00048065 0.00606983 -0.00780096
-6.29774339 15.91213373 -9.08655386
0.00027764 0.00000235 0.00005146
0.00475249 -0.00122641 -0.00604490
-4.63647111 14.41903035 -11.10698613
0.00068099 -0.00001263 -0.00025591
0.00061787 0.00090879 0.00942311
2.72199299 10.98788423 -5.52264833
0.00010739 0.00058816 -0.00028755
0.00352010 0.00975414 -0.01957162
1.34405746 13.26620483 -6.99477639
0.00031736 0.00038417 0.00018710
0.02279010 -0.01055547 0.00679011
-2.56129491 11.16628701 -14.12446449
-0.00073515 -0.00005694 0.00070381
0.02669062 -0.02200953 -0.00337334
-5.23235480 10.69141279 -13.11649773
0.00062426 0.00047695 -0.00003050
-0.00013950 -0.00320609 -0.00214019
4.66846755 7.40214211 18.99845002
0.00069805 -0.00078383 -0.00017346
-0.00964038 0.00132304 -0.02229859
2.09468457 6.76229296 17.72529582
0.00012295 -0.00033524 0.00030762
0.01202123 0.00867647 -0.01177898
-13.61047366 8.45585869 -8.94376312
-0.00018673 -0.00082483 0.00008568
-0.04517994 0.00241361 -0.01291883
-16.04044342 8.44000645 -7.40950741
0.00069226 -0.00021944 0.00027918
-0.01875717 -0.00618462 0.01433003
5.23019176 10.51097915 0.74084984
0.00092449 -0.00062445 0.00034432
-0.03135229 -0.04466643 -0.00919288
2.29721440 10.35770224 0.78775913
-0.00008163 -0.00083028 -0.00115558
0.01083071 -0.02655167 -0.00055839
14.38023443 -23.75381431 -25.61444215
-0.00015218 -0.00002380 0.00007358
-0.00091101 -0.00468886 -0.00411042
15.19844067 -24.83411217 -28.29518939
0.00041281 -0.00110295 0.00072376
0.00571800 0.01793189 0.03483899
3.90743636 3.76430943 -0.34290713
-0.00081849 0.00095051 0.00143665
0.02462234 0.00338186 0.01037078
5.57130274 5.76808490 1.14558944
0.00070428 0.00028866 0.00108239
-0.00315379 -0.00270715 -0.00662803
17.82869055 -3.66990931 -0.46536939
0.00108118 0.00031859 0.00038464
-0.00741605 -0.00871018 0.01385097
16.13593359 -5.93735322 -1.04777768
-0.00063489 0.00074132 -0.00101728
-0.00524173 -0.01054989 -0.01155867
-6.50010363 2.81542943 -1.81299610
0.00124212 -0.00049795 -0.00040727
0.00223523 -0.00219637 0.00226808
-4.92111308 1.35110483 -3.81428026
-0.00000288 0.00035481 0.00057569
-0.00818854 -0.01626451 -0.01089323
2.52195221 2.92736853 -11.68052411
0.00042885 0.00055751 -0.00134964
-0.00162488 0.00069638 -0.00240077
0.38100846 1.31398718 -10.74284391
-0.00011051 -0.00032411 -0.00157472
-0.01803037 -0.04105389 0.04080669
17.01937999 7.94458886 -7.94709816
-0.00093106 -0.00044965 -0.00076974
-0.01753251 0.01532153 0.00583053
15.53950784 10.57419796 -6.61439210
-0.00129015 -0.00048345 0.00087225
0.01255185 -0.01548077 -0.00710049
-7.28072919 0.90574280 11.11546148
-0.00067072 0.00119747 -0.00000341
0.01646249 0.00332059 0.01462706
-7.97035283 1.30378443 13.86756803
0.00035885 -0.00042294 0.00031290
-0.03171521 0.01641743 0.02836669
-2.47690668 -16.70894255 14.21035578
-0.00086144 -0.00012109 0.00072151
0.01707310 -0.00722094 0.02281608
-4.65905273 -17.50493442 12.44972286
-0.00010958 -0.00107507 0.00030587
-0.03641270 -0.05418752 -0.01188599
7.12610589 -6.10840997 -4.56090535
0.00099866 -0.00009200 -0.00074076
-0.00535976 -0.01210487 -0.00413427
5.50879864 -7.80464596 -6.45118392
-0.00007988 0.00027198 -0.00037694
-0.01368366 -0.00294006 0.01215795
-2.84397851 -11.48018280 1.99070369
-0.00042966 -0.00009258 -0.00043140
0.01110521 0.00017108 -0.00195472
-0.34991439 -10.09840140 1.89416555
0.00019521 0.00043150 -0.00050627
0.00123550 -0.00282038 0.00867727
-14.65545406 -0.72452853 6.24479007
-0.00026790 0.00013810 0.00036941
-0.02027696 -0.01811047 -0.01819563
-15.73101920 -1.83067642 3.61984654
0.00063198 0.00053727 0.00060842
-0.00139824 0.00615409 0.02695404
-9.55468484 4.56045580 -23.67572210
-0.00011425 -0.00033974 -0.00052414
0.00180565 -0.01067849 0.01626424
-8.98901490 4.43924488 -20.61691276
-0.00018556 -0.00009585 -0.00116799
-0.00532325 -0.01176736 -0.02894422
2.20470184 0.78376698 -3.22704199
-0.00011958 -0.00116965 0.00074234
-0.01507300 -0.00435487 0.02110301
0.55003907 0.31438072 -0.44827279
-0.00100192 -0.00070367 -0.00002282
0.02237423 0.00723934 -0.03134827
14.11502131 9.33286376 3.32545057
-0.00033251 -0.00014917 -0.00029020
-0.01861697 -0.00744045 0.01208758
11.44386532 8.80985732 2.30657144
-0.00002505 0.00010479 -0.00128706
0.00208510 0.00345232 0.00388280
5.39133063 -9.27542384 -10.56020452
-0.00007730 -0.00013101 -0.00002390
-0.00087852 0.00805489 -0.01057187
-12.97684108 10.39995259 21.28197484
0.00010974 -0.00003514 0.00009429
0.00808701 -0.00115472 -0.00370674
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06613887
0.32311281
430.53161419
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 5.120 s
total exchange = -52.3421694412 (a.u.)
total exchange computation time: 3.2419919968 s
-154.0644769743
-931.38961632
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 5.126 s
total exchange = -52.3422728309 (a.u.)
total exchange computation time: 3.2443029881 s
-154.0650880522
Anderson extrapolation: theta=1.3409969276 (1.3409969276)
-931.38985865
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 5.128 s
total exchange = -52.3423516305 (a.u.)
total exchange computation time: 3.2405898571 s
-154.0662420101
Anderson extrapolation: theta=0.0505523748 (0.0505523748)
-931.39000194
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 5.136 s
total exchange = -52.3423031646 (a.u.)
total exchange computation time: 3.2407929897 s
-154.0666552433
Anderson extrapolation: theta=1.8816537394 (1.8816537394)
-931.39000720
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 5.127 s
total exchange = -52.3421903277 (a.u.)
total exchange computation time: 3.2425510883 s
-154.0675371524
Anderson extrapolation: theta=0.2198466345 (0.2198466345)
-931.39001281
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 5.130 s
total exchange = -52.3421570365 (a.u.)
total exchange computation time: 3.2414162159 s
-154.0677420498
Anderson extrapolation: theta=1.8607569265 (1.8607569265)
-931.39001394
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 5.123 s
total exchange = -52.3421068531 (a.u.)
total exchange computation time: 3.2406449318 s
-154.0679956190
Anderson extrapolation: theta=0.2908709874 (0.2908709874)
-931.39001544
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 5.129 s
total exchange = -52.3421050270 (a.u.)
total exchange computation time: 3.2461009026 s
-154.0679442990
Anderson extrapolation: theta=1.2912215194 (1.2912215194)
-931.39001582
282.743178 30.669550 157.971493
-142.493452 489.915145 -806.067388
140.249726 520.584695 -648.095895
843.034222
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 5.131 s
total exchange = -52.3421124718 (a.u.)
total exchange computation time: 3.2432110310 s
678.45380774
-1082.58707964
89.74603502
-389.91970133
-174.74096547
77.66090095
551.60419304
0.00000000
-931.39001614
-8.70186978 -3.96440711 3.65147013
0.00042084 -0.00009860 0.00005145
-0.04932319 0.01874602 0.01157308
-17.80733910 4.32909730 6.45492377
0.00018741 -0.00020064 -0.00008125
0.03357056 0.01263078 -0.01034030
-15.54851090 -0.90369959 0.34669457
0.00008548 -0.00018993 -0.00024454
0.06378538 0.06401548 0.05930233
3.09815602 -20.56426010 15.48947151
-0.00031065 0.00009081 -0.00015565
0.00266011 -0.04464297 -0.00543019
7.74604602 16.01334333 -1.27225289
0.00037226 0.00000929 0.00010379
0.00214436 -0.01441831 -0.00467745
-9.92991853 9.44119687 11.03159215
-0.00025033 -0.00006186 -0.00013693
-0.01501200 0.02371046 0.00534261
-8.34040459 -0.43300053 -14.31971898
-0.00000816 0.00016954 -0.00000652
-0.00419009 -0.00815288 -0.01519855
-10.78973138 2.38607732 -6.97326843
-0.00000615 0.00009504 0.00014957
-0.02619187 -0.02861262 -0.00364599
-0.38193588 -5.72903889 15.41298941
-0.00020677 0.00005435 0.00028933
-0.01261885 -0.00520929 -0.03632268
-25.75051763 -0.73241744 -20.67557030
-0.00029238 -0.00003699 0.00008267
-0.00270704 -0.00754618 -0.00359946
8.87879669 7.50312224 7.84230502
-0.00000471 -0.00006433 -0.00013345
0.01001939 -0.00150001 -0.01946356
20.85248551 28.59086511 -5.04512881
0.00018861 -0.00028181 0.00000156
-0.00703196 0.00383060 0.02458438
7.70782395 -1.55756904 -7.26449761
-0.00018674 0.00001337 -0.00008145
-0.02250878 0.03573118 -0.00336554
-9.24235886 -3.46081067 13.55509026
0.00011247 0.00007603 0.00006380
0.04125708 -0.00098731 -0.01717263
-1.26367541 -22.69748558 14.04021422
0.00007775 0.00017520 0.00028729
0.02548052 -0.00224606 0.00170103
-11.00911782 -8.65907895 -8.07553901
0.00022254 0.00018389 0.00014702
0.00071472 -0.00319074 -0.00254329
-15.90691788 -8.59549494 -15.51562456
-0.00003363 0.00004313 -0.00004502
-0.00785461 0.02098762 -0.00024924
16.89785837 12.76614245 3.60595956
0.00045666 0.00017086 0.00000811
-0.00095361 0.01374340 -0.02275889
20.10146746 -4.61896836 -14.78644200
-0.00029014 -0.00011279 -0.00012359
0.01751758 0.02680177 -0.01401690
-0.33820423 8.14676760 -14.90970096
0.00022967 -0.00008394 0.00000104
-0.00750105 -0.03443942 -0.01096189
0.61840900 -0.50983032 -16.99700064
-0.00018044 0.00050330 -0.00014127
-0.04058148 0.01590251 0.00986524
11.95502926 20.88658608 -23.18679563
0.00051519 -0.00026653 0.00001928
0.04083929 0.00246027 0.01437769
-11.33545354 15.20652230 -16.29865730
-0.00009259 -0.00015407 -0.00006514
0.00050880 -0.01190567 -0.01757352
4.63381549 17.67213497 10.62175167
0.00039638 0.00009331 -0.00045351
0.00533235 -0.00496932 -0.00799470
-2.17840675 -11.08734533 -3.54400162
0.00021932 -0.00010328 -0.00003720
0.01531987 -0.00740509 0.01728394
1.31118891 -8.14060155 3.88856867
0.00014330 0.00006866 0.00041627
0.03689329 -0.00374600 0.02432313
9.57592403 2.11277656 8.27885759
-0.00011799 0.00026794 0.00009802
-0.01136991 -0.00733743 -0.00076150
-6.95247980 -9.12221487 -3.07758268
-0.00002214 0.00048841 -0.00014812
-0.00383088 0.00315900 -0.00197165
3.83559834 -12.24026029 -13.15054002
-0.00014146 0.00018089 -0.00024166
0.01452924 -0.01980505 0.01531777
1.25368949 -4.51361906 -0.86720064
0.00004877 0.00014438 0.00015923
0.00161519 -0.03022559 0.02273662
17.20494568 4.53525165 27.03272010
0.00040004 0.00004354 -0.00024778
-0.00905478 -0.03013723 0.03133615
-9.73715463 6.05974771 -4.27295083
-0.00030137 -0.00011691 0.00054310
-0.00192681 0.00916086 0.01994751
-4.76215252 14.93788944 -9.33399778
0.00030649 0.00000742 -0.00015621
-0.00159516 0.00001075 0.00123761
2.93082143 12.23485594 -6.90846290
-0.00026204 0.00014827 -0.00004522
-0.02105548 0.00978595 0.00948386
-4.08763003 11.97699128 -13.72195482
0.00022849 0.00017361 0.00009956
-0.03132056 0.02727833 0.00957957
3.85479481 7.32114412 17.29147366
-0.00004882 0.00011144 -0.00005026
-0.00593450 -0.01004969 0.04014037
-15.54168135 8.65596108 -9.12774855
-0.00035757 -0.00010332 -0.00008052
0.07182905 -0.00095848 0.00150969
3.75410289 9.21382330 0.59259646
0.00002738 0.00020208 0.00020089
0.03484756 0.05510316 0.00754871
15.87766872 -24.06624848 -26.68356173
0.00008568 -0.00015182 -0.00010899
-0.00830540 -0.01720937 -0.02257477
5.66825586 4.15033989 0.27642431
-0.00017876 -0.00012369 0.00021045
-0.02542538 0.00199026 0.00116782
17.28964428 -5.31963630 0.19206183
0.00021647 -0.00013918 -0.00022069
0.00522836 0.00979204 -0.00286587
-4.79335078 2.40546175 -2.35958915
-0.00027585 0.00004283 0.00038511
0.02904113 0.02316953 0.01110207
0.75512011 2.53826830 -11.90527280
-0.00019380 0.00011647 0.00003125
0.02136647 0.04764982 -0.05529860
15.40479786 8.84236165 -7.23748436
0.00006109 0.00004336 0.00037446
0.00278039 -0.00248610 -0.00108156
-6.54019778 1.06017153 12.84283122
-0.00037488 0.00018830 0.00010024
0.02390163 -0.01041617 -0.05271846
-3.59282194 -16.22750139 12.89490518
-0.00007200 0.00009816 -0.00006422
0.01322234 0.05416464 -0.01940600
6.98435285 -6.72500318 -6.33048330
-0.00024802 0.00040428 -0.00017841
0.01119351 0.01093201 0.00171179
-1.11457567 -11.67697815 1.28381834
-0.00008319 -0.00022953 -0.00043864
-0.02269526 0.00802638 0.00348068
-16.02429497 -1.80302653 5.53113926
0.00035502 -0.00005021 0.00048202
0.01685810 0.01151371 -0.01284837
-9.24582500 3.39946602 -22.19069528
-0.00013744 -0.00017868 -0.00017991
0.00481034 0.02904328 0.01591073
1.96677954 1.10483228 -1.39308183
-0.00017580 -0.00005632 -0.00027276
-0.01417491 0.00191999 0.01391116
12.54193077 8.41799508 3.75217313
0.00020624 -0.00030106 -0.00006790
0.00521990 0.00580027 -0.02406498
-7.18742094 -4.48464156 2.93140379
-0.00060365 0.00022127 0.00065634
0.03507357 -0.00576148 -0.03751974
-10.07955060 -3.86102659 2.37074539
0.00001933 0.00038183 -0.00035681
0.02998092 0.00960124 0.00354668
-16.37332624 5.53269678 6.75094920
-0.00008692 -0.00080500 -0.00022114
-0.02082283 -0.01002488 0.00347557
-17.28892395 3.64712435 4.81397390
-0.00030669 -0.00014446 -0.00103725
-0.00950713 -0.00024824 0.00891418
-16.05283021 0.95224195 0.59675978
0.00057839 0.00049771 -0.00009580
0.00364681 -0.03506099 -0.01521467
-16.66651778 -1.86669013 -0.48998986
0.00050897 0.00033109 -0.00054649
-0.06351529 -0.03098744 -0.04200920
1.38189077 -21.23065965 15.02473022
-0.00090471 0.00039438 0.00052524
0.00955964 0.02806921 0.00857260
3.34443624 -18.87839222 16.05618237
-0.00060470 -0.00006741 0.00007604
-0.01152622 0.01749985 -0.00143051
8.06044152 14.15101138 -1.23937219
-0.00004990 -0.00016485 -0.00009861
0.00173570 0.01230126 0.00383930
6.96532372 16.39328191 0.32225616
-0.00112407 0.00036407 0.00016950
-0.00071802 0.00046984 0.00044164
-8.70656466 9.29324855 12.44327508
-0.00070493 -0.00135400 -0.00002280
-0.00537089 -0.00514501 -0.00032247
-10.85438302 11.04141285 11.43451604
0.00003154 -0.00063523 -0.00034494
0.02052140 -0.01993809 -0.00206619
-10.03400947 0.38281139 -14.48551254
-0.00102327 0.00045898 0.00009829
0.01432539 -0.00920075 0.00164107
-8.15912627 -1.64309996 -15.75410644
-0.00035616 0.00051587 -0.00189721
-0.00766594 0.01834709 0.01626813
-12.08745210 1.01045935 -6.88697381
-0.00010836 -0.00070930 0.00027337
0.01518398 0.02039802 0.00002772
-11.22665475 3.72469049 -5.77577520
0.00051056 -0.00022522 -0.00062050
0.00789017 -0.00807105 -0.00749793
-1.99072919 -6.47025641 14.74092573
-0.00028556 -0.00029534 0.00015212
0.01154214 0.01080135 0.00501698
-0.46664102 -5.72126136 17.18481699
-0.00019356 -0.00045371 0.00092464
-0.00212322 -0.00346745 0.03184934
-24.56352036 -0.32396058 -19.39363237
0.00119028 0.00039845 -0.00087118
0.01683363 0.00184217 0.01434048
-25.73398213 0.60294803 -21.91086081
-0.00074897 -0.00130181 -0.00040600
-0.00722574 0.01219113 -0.01289803
9.71241795 8.10441821 6.26098556
0.00082817 -0.00134066 -0.00013211
-0.00103162 -0.00617695 0.02519319
10.04818474 7.95635849 9.24013248
0.00029186 0.00027988 -0.00013268
-0.00091941 -0.00030523 -0.01328942
19.85601528 27.55648458 -3.82661826
0.00026673 0.00023932 0.00023921
0.01051162 0.01329296 -0.01272604
20.42113833 30.45710437 -4.68609436
0.00042518 -0.00056179 -0.00060801
0.00102562 -0.02207918 0.00173840
5.91011475 -0.92128421 -7.29387250
0.00066843 -0.00034290 -0.00054754
0.03277585 -0.00923987 0.00264719
7.66413306 -3.33586182 -7.05450026
0.00023396 0.00015752 0.00024966
-0.01336856 -0.01971834 0.00172226
-8.51281086 -2.19407311 12.34605233
0.00035492 -0.00058643 0.00071978
-0.01911341 -0.01849587 0.01735067
-11.02292810 -3.48725965 13.50290541
0.00043428 -0.00018318 0.00062494
-0.02202538 0.01719293 -0.00589882
-0.94646551 -24.30258125 14.87489712
0.00050701 -0.00079010 -0.00070097
-0.00689008 -0.00889123 -0.00449114
-2.97961096 -22.22692584 14.29201157
-0.00004731 -0.00039063 0.00052710
-0.02001145 0.00180264 -0.00085969
-12.66883557 -8.24689553 -7.36494871
0.00004888 -0.00005965 -0.00073762
-0.00317042 -0.00048433 0.00813255
-10.43898823 -7.00298913 -8.54725374
-0.00104638 -0.00125288 0.00219970
0.00977228 0.00211747 -0.00461990
-16.11268567 -10.34819873 -15.79116774
0.00025336 -0.00122260 0.00066650
0.00155814 -0.02250757 0.00346162
-14.25804012 -8.07005660 -16.18668202
-0.00004771 0.00037121 0.00014216
0.00180442 0.00064753 -0.00013426
17.37249152 12.90651606 5.36598682
0.00008032 -0.00012372 0.00012747
-0.00228490 -0.00103755 0.00787424
17.06057904 14.44526711 2.79022433
-0.00041079 0.00029244 -0.00001133
0.00252196 -0.01956912 0.00659202
18.30088377 -4.55673552 -14.93775126
-0.00021243 -0.00079796 0.00040730
-0.00404581 0.00269068 0.00071447
20.74622904 -2.91434733 -15.41601594
0.00016386 0.00071577 -0.00033675
-0.00941864 -0.03331000 0.00870412
-0.49116343 6.70210585 -13.73575971
0.00146000 -0.00076711 -0.00036276
-0.00299756 0.01326225 -0.00748280
-0.27740041 7.26074520 -16.56354555
-0.00080887 0.00060974 -0.00100285
-0.00143050 0.01591616 0.01835788
0.65980594 0.66231265 -15.58427504
-0.00050148 0.00021828 -0.00026613
-0.00473285 0.00697438 0.00246364
2.29222594 -1.05290323 -17.00773067
-0.00032084 -0.00030029 0.00057176
0.04421301 -0.01773904 -0.00634828
12.53281695 22.45489044 -22.25716287
-0.00056195 -0.00100140 -0.00081494
-0.02145100 -0.01818863 -0.01975906
10.17487234 20.90018850 -23.36481944
0.00002358 -0.00006985 -0.00016267
-0.02265925 0.00777003 0.00236695
-10.03883459 16.05456193 -17.42343680
-0.00105560 -0.00030651 0.00025415
-0.01462939 -0.00800888 0.01940825
-10.88426429 15.70772664 -14.64795560
-0.00037119 0.00059688 -0.00077584
0.00331448 0.00516879 0.01671565
3.41282080 18.71978045 11.41431224
-0.00038916 0.00058057 0.00104023
-0.01081531 0.00438754 0.01086274
4.73051315 18.39063898 8.94265321
0.00017769 0.00016088 -0.00080566
0.00628678 -0.00583126 -0.00501608
-3.88710851 -10.52162199 -3.30657456
-0.00127064 0.00040343 0.00038139
-0.01056862 0.00698945 -0.00896489
-1.65852788 -11.32297826 -1.71273190
-0.00163859 0.00076034 -0.00013249
0.00104863 0.00067567 -0.01695517
0.08533176 -7.45339702 5.03624974
-0.00013924 -0.00027229 -0.00018524
-0.00918594 0.00982225 0.00474789
2.81442038 -8.47023868 5.07317345
0.00056138 -0.00008869 0.00038417
-0.02263054 0.00883101 -0.02868336
7.78797437 1.87725438 8.61610030
-0.00044088 0.00010604 -0.00097732
0.00672292 0.00398079 0.00279479
9.71685466 3.91112748 7.95753810
-0.00014447 0.00125543 0.00109323
-0.00129034 0.00961487 -0.00069128
-8.17255507 -8.50359495 -4.27104185
-0.00042529 -0.00016451 0.00106178
-0.00331625 0.00452183 -0.00811027
-7.98970269 -10.18835445 -2.04417036
-0.00088757 -0.00009884 -0.00038740
-0.00741200 -0.00623687 0.01007116
4.70092067 -13.52229997 -12.09176096
-0.00016292 0.00068559 -0.00052466
-0.00719047 0.01592822 -0.01253769
2.39451165 -13.11382846 -13.86437734
-0.00023343 0.00057311 -0.00028792
-0.00860552 0.00119378 -0.00635352
1.35222847 -5.90889977 0.41607703
0.00054516 -0.00029264 0.00080525
0.00549630 0.01908546 -0.01949631
-0.31317517 -3.78977913 -0.31685981
-0.00026676 -0.00005838 -0.00036074
-0.00722667 0.00754923 -0.00084408
17.40002759 3.28536945 25.69677410
-0.00024444 -0.00013193 -0.00007904
-0.00264376 0.00349091 0.00870329
16.66754746 3.49113195 28.57058842
0.00002949 0.00051020 -0.00000283
0.01137047 0.02352080 -0.04088778
-10.71546621 7.38253114 -3.47642810
0.00027734 0.00141002 0.00074132
-0.00453818 0.00903713 0.00025706
-8.31789754 6.90801681 -5.12459013
0.00010507 0.00055708 0.00024887
-0.00260701 0.00322286 -0.00607044
-6.29343322 15.91213144 -9.08596720
0.00029735 -0.00000312 0.00002589
0.00489683 -0.00145502 -0.00647167
-4.62623734 14.41886876 -11.11053600
0.00068270 -0.00000811 -0.00021591
0.00022115 0.00130230 0.01015803
2.72371170 10.99700548 -5.52756136
0.00012049 0.00062310 -0.00036199
0.00289361 0.00735043 -0.01686428
1.34951616 13.27164394 -6.99176176
0.00040597 0.00034325 0.00021462
0.02058690 -0.00947662 0.00667743
-2.57150433 11.16475851 -14.11401072
-0.00061194 -0.00015258 0.00068617
0.03362453 -0.02480609 -0.00526197
-5.22299515 10.69846884 -13.11702087
0.00061731 0.00045901 -0.00003613
-0.00326490 -0.00557787 -0.00061535
4.67864290 7.39042514 18.99516486
0.00065721 -0.00077801 -0.00026607
-0.01035222 0.00152986 -0.02303475
2.09689722 6.75753026 17.72954922
0.00017257 -0.00029931 0.00025929
0.01226881 0.00891161 -0.01187954
-13.61465901 8.44356023 -8.94287375
-0.00037252 -0.00081402 0.00003109
-0.04576839 0.00287702 -0.01380349
-16.03063425 8.43652529 -7.40488062
0.00061417 -0.00024436 0.00033613
-0.01946776 -0.00601303 0.01354622
5.24309841 10.50024375 0.74573288
0.00079273 -0.00080495 0.00030688
-0.03314659 -0.04369005 -0.00913227
2.29632179 10.34443444 0.77040834
-0.00004350 -0.00093064 -0.00115612
0.00783460 -0.02257799 0.00029557
14.37792377 -23.75431493 -25.61346440
-0.00015253 -0.00004374 0.00005453
0.00074275 -0.00507213 -0.00521378
15.20480810 -24.85010694 -28.28326537
0.00043417 -0.00103102 0.00086070
0.00473404 0.01727824 0.03219181
3.89591351 3.77867079 -0.32103962
-0.00071759 0.00096324 0.00147743
0.02477015 0.00284685 0.00959217
5.58177034 5.77233186 1.16162215
0.00069209 0.00026861 0.00105010
-0.00281455 -0.00710715 -0.00917720
17.84468104 -3.66539740 -0.45917541
0.00104832 0.00027758 0.00044300
-0.00867213 -0.01136473 0.01472048
16.12624967 -5.92655668 -1.06339113
-0.00064716 0.00070365 -0.00105486
-0.00076423 -0.00788865 -0.00683441
-6.48140341 2.80789287 -1.81903566
0.00122679 -0.00050046 -0.00039004
-0.00973516 0.00096745 0.00616530
-4.92140726 1.35592854 -3.80597865
-0.00003580 0.00028538 0.00052641
-0.00792573 -0.01771857 -0.01323295
2.52833516 2.93575250 -11.70084227
0.00041306 0.00055651 -0.00135854
-0.00610348 -0.00118687 -0.00195544
0.37879832 1.30786759 -10.76521434
-0.00018485 -0.00050278 -0.00139788
-0.01835849 -0.04640911 0.04576101
17.00487689 7.93831365 -7.95846567
-0.00099801 -0.00038659 -0.00074533
-0.01524095 0.01554494 0.00611856
15.52054016 10.56647181 -6.60152596
-0.00123606 -0.00054055 0.00084407
0.01392640 -0.01246835 -0.00669206
-7.29028550 0.92380666 11.11585860
-0.00060324 0.00121007 0.00005795
0.01657023 0.00284490 0.01540742
-7.96594188 1.29794337 13.87313075
0.00022281 -0.00035512 0.00043340
-0.03487931 0.01678434 0.03061990
-2.48930504 -16.71098011 14.22187759
-0.00079273 -0.00014844 0.00081280
0.01655862 -0.00616932 0.02187055
-4.66181229 -17.52272088 12.45394676
-0.00024647 -0.00128166 0.00026202
-0.03059340 -0.04694362 -0.00958006
7.14092151 -6.11016086 -4.57214344
0.00097550 -0.00013950 -0.00075043
-0.00597559 -0.01114995 -0.00059859
5.50718112 -7.80065633 -6.45646552
-0.00013611 0.00026015 -0.00032595
-0.01384045 -0.00285345 0.01280252
-2.85008311 -11.48156626 1.98417278
-0.00038001 -0.00009166 -0.00044017
0.01319827 0.00027780 -0.00233990
-0.34694845 -10.09201526 1.88683743
0.00019628 0.00041214 -0.00047316
-0.00070978 -0.00666087 0.00753082
-14.66009385 -0.72301194 6.24977365
-0.00034656 0.00006691 0.00029799
-0.01822892 -0.01674171 -0.01676571
-15.72158230 -1.82242879 3.62979884
0.00062524 0.00056109 0.00071687
-0.00190355 0.00550831 0.02613308
-9.55634320 4.55503251 -23.68308580
-0.00010633 -0.00038418 -0.00045697
0.00207065 -0.01107800 0.01661682
-8.99196138 4.43744651 -20.63531962
-0.00020610 -0.00013933 -0.00127748
-0.00473340 -0.00951658 -0.02464742
2.20244624 0.76608874 -3.21526016
-0.00017940 -0.00118839 0.00081807
-0.01420625 -0.00481603 0.01596614
0.53569582 0.30404744 -0.44957565
-0.00090046 -0.00066870 -0.00015623
0.02729488 0.00988302 -0.03395682
14.10946325 9.33039823 3.32146793
-0.00040322 -0.00017739 -0.00024101
-0.01599873 -0.00637501 0.01199101
11.44355339 8.81153499 2.28738447
-0.00000863 0.00011513 -0.00125865
0.00595490 0.00160938 0.01002553
5.39016875 -9.27736733 -10.56059144
-0.00007763 -0.00012811 -0.00002769
-0.00097227 0.00815475 -0.01059571
-12.97518094 10.39942352 21.28338269
0.00011164 -0.00003542 0.00009342
0.00828758 -0.00125115 -0.00376417
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06613690
0.32387924
431.55284449
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 5.126 s
total exchange = -52.3420164900 (a.u.)
total exchange computation time: 3.2405698299 s
-154.0675698873
-931.38981818
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 5.125 s
total exchange = -52.3421439934 (a.u.)
total exchange computation time: 3.2400710583 s
-154.0680311590
Anderson extrapolation: theta=1.3392556857 (1.3392556857)
-931.39006529
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 5.127 s
total exchange = -52.3422576001 (a.u.)
total exchange computation time: 3.2409040928 s
-154.0689324988
Anderson extrapolation: theta=0.0502701432 (0.0502701432)
-931.39021124
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 5.128 s
total exchange = -52.3422123376 (a.u.)
total exchange computation time: 3.2433691025 s
-154.0692980824
Anderson extrapolation: theta=1.8753708369 (1.8753708369)
-931.39021657
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 5.133 s
total exchange = -52.3421052574 (a.u.)
total exchange computation time: 3.2400660515 s
-154.0700814079
Anderson extrapolation: theta=0.2184389521 (0.2184389521)
-931.39022222
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 5.129 s
total exchange = -52.3420725397 (a.u.)
total exchange computation time: 3.2409820557 s
-154.0702629528
Anderson extrapolation: theta=1.8655534285 (1.8655534285)
-931.39022336
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 5.131 s
total exchange = -52.3420222183 (a.u.)
total exchange computation time: 3.2420198917 s
-154.0704811345
Anderson extrapolation: theta=0.2892420908 (0.2892420908)
-931.39022488
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 5.133 s
total exchange = -52.3420195199 (a.u.)
total exchange computation time: 3.2396059036 s
-154.0704263045
Anderson extrapolation: theta=1.2852758113 (1.2852758113)
-931.39022526
282.724138 30.599507 157.973667
-142.536655 489.896044 -806.101498
140.187483 520.495550 -648.127830
842.993376
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 5.127 s
total exchange = -52.3420252291 (a.u.)
total exchange computation time: 3.2401139736 s
678.45153167
-1082.58279304
89.74530034
-389.92213428
-174.74010502
77.65799299
551.60419304
0.00000000
-931.39022556
-8.69574742 -3.96581378 3.65228651
0.00039233 -0.00008798 0.00005799
-0.06154502 0.02256301 0.01385112
-17.80439846 4.32613637 6.45366514
0.00020417 -0.00019526 -0.00008777
0.03161670 0.00828424 -0.01502579
-15.54698268 -0.90630163 0.34325525
0.00011877 -0.00015610 -0.00021346
0.06566275 0.06756142 0.06154628
3.09350648 -20.56307014 15.48711586
-0.00030965 0.00006777 -0.00015860
0.00122259 -0.04494746 -0.00606121
7.75163821 16.01342704 -1.27071413
0.00037276 0.00000218 0.00010264
-0.00020183 -0.01320940 0.00022746
-9.93373131 9.44036050 11.02955880
-0.00025762 -0.00005073 -0.00013455
-0.01337084 0.01954080 0.00392056
-8.34054312 -0.43048891 -14.31987547
-0.00001156 0.00016494 -0.00001590
-0.00905422 -0.00973081 -0.02124822
-10.78992464 2.38739255 -6.97103898
-0.00001969 0.00007851 0.00014666
-0.02647380 -0.03565385 -0.00767209
-0.38508612 -5.72824370 15.41718923
-0.00021352 0.00005163 0.00027217
-0.01364385 -0.00539220 -0.03040891
-25.75491376 -0.73300146 -20.67434409
-0.00029310 -0.00004151 0.00008229
-0.00009549 -0.01000623 0.00211192
8.87876473 7.50215155 7.84022818
0.00000077 -0.00006512 -0.00014305
0.01127109 -0.00159772 -0.01786385
20.85528755 28.58665280 -5.04501052
0.00018521 -0.00028013 0.00001390
-0.00617654 0.00269315 0.02337097
7.70493610 -1.55723067 -7.26573229
-0.00019684 0.00003140 -0.00008318
-0.01679330 0.03437661 -0.00338363
-9.24051261 -3.45967408 13.55598108
0.00013393 0.00007458 0.00005596
0.04219751 -0.00464919 -0.01333311
-1.26241088 -22.69486620 14.04453017
0.00009087 0.00017333 0.00028847
0.02554838 -0.00502473 0.00288713
-11.00577696 -8.65633289 -8.07334348
0.00022143 0.00017810 0.00014691
-0.00503548 -0.01932957 0.00208696
-15.90745256 -8.59476710 -15.51630087
-0.00003803 0.00005154 -0.00004548
-0.00925424 0.01172476 -0.00154283
16.90470462 12.76875839 3.60599342
0.00045605 0.00017780 -0.00000359
-0.00140750 0.01325751 -0.02275171
20.09718295 -4.62055685 -14.78834988
-0.00028028 -0.00009817 -0.00013105
0.02081772 0.03004058 -0.01501972
-0.33478807 8.14537570 -14.90972770
0.00022580 -0.00010210 -0.00000515
-0.00754106 -0.03619474 -0.01310616
0.61554583 -0.50221942 -16.99908164
-0.00020080 0.00051095 -0.00013666
-0.03859960 0.01383622 0.00805752
11.96291459 20.88259760 -23.18645095
0.00053411 -0.00026674 0.00002564
0.03274955 -0.00328517 0.01033559
-11.33684042 15.20416532 -16.29970225
-0.00009326 -0.00016091 -0.00007451
-0.00312352 -0.01469860 -0.01883957
4.63978182 17.67351549 10.61491820
0.00039710 0.00009264 -0.00045660
-0.00256116 0.00235260 -0.00401022
-2.17505785 -11.08892303 -3.54449298
0.00022359 -0.00010578 -0.00002861
0.00128525 -0.00232893 0.01611938
1.31348079 -8.13958607 3.89490656
0.00016287 0.00006640 0.00042832
0.03919715 -0.00503719 0.02252251
9.57411038 2.11676741 8.28032497
-0.00012394 0.00026558 0.00009743
-0.01178957 -0.00186703 -0.00151813
-6.95282674 -9.11487652 -3.07981207
-0.00002435 0.00048848 -0.00014727
-0.00475853 -0.00287311 0.00526143
3.83353247 -12.23762338 -13.15410587
-0.00013417 0.00017151 -0.00023422
0.01382442 -0.01664868 0.01360495
1.25442730 -4.51156995 -0.86472447
0.00004972 0.00012814 0.00017155
0.00205701 -0.03293100 0.02516318
17.21091135 4.53578845 27.02912427
0.00039537 0.00002826 -0.00023158
-0.00912176 -0.02927740 0.03166127
-9.74168260 6.05802936 -4.26472739
-0.00030220 -0.00011011 0.00055339
-0.00130572 0.01728190 0.02005101
-4.75756132 14.93800083 -9.33633621
0.00030575 0.00000741 -0.00015559
-0.00129299 -0.00008048 0.00119475
2.92680963 12.23711769 -6.90910466
-0.00027198 0.00015364 -0.00004112
-0.01759144 0.01111898 0.00647641
-4.08432353 11.97970059 -13.72042451
0.00021177 0.00018876 0.00010446
-0.03367392 0.03167088 0.00950287
3.85403961 7.32277692 17.29087463
-0.00005168 0.00010622 -0.00002957
-0.00520359 -0.01023113 0.04031350
-15.54676789 8.65440758 -9.12895058
-0.00032066 -0.00010395 -0.00007920
0.07171232 -0.00148529 0.00363378
3.75464804 9.21706710 0.59563900
0.00004644 0.00022888 0.00020456
0.03926443 0.04908377 0.00671653
15.87892190 -24.06859221 -26.68528369
0.00008134 -0.00016026 -0.00011945
-0.00856506 -0.01558054 -0.01809649
5.66547641 4.14849217 0.27958554
-0.00019180 -0.00012151 0.00021186
-0.02529735 0.00651454 0.00430683
17.29291152 -5.32168621 0.18874042
0.00021830 -0.00013425 -0.00022353
0.00186582 0.00938296 -0.00817583
-4.79737645 2.40619355 -2.35376965
-0.00025772 0.00005409 0.00039005
0.04143525 0.02062175 0.00809236
0.75229554 2.54019910 -11.90501740
-0.00018185 0.00014222 0.00000205
0.02511256 0.05248318 -0.05824079
15.40572487 8.84300244 -7.23187168
0.00006158 0.00004112 0.00037369
-0.00087693 -0.00623360 -0.00189095
-6.54572875 1.06295590 12.84413142
-0.00036206 0.00018303 0.00007276
0.02594478 -0.01010069 -0.05412605
-3.59385097 -16.22582005 12.89386695
-0.00006680 0.00012342 -0.00007445
0.00699531 0.04407648 -0.02037148
6.98067580 -6.71889688 -6.33315282
-0.00024219 0.00040949 -0.00017862
0.01146525 0.00932908 -0.00255140
-1.11591102 -11.68039007 1.27725220
-0.00009476 -0.00022443 -0.00043629
-0.02228923 0.01177541 0.00565542
-16.01890469 -1.80373520 5.53831995
0.00036310 -0.00004467 0.00047523
0.01456327 0.01002354 -0.01353624
-9.24786801 3.39689781 -22.19333256
-0.00013526 -0.00016447 -0.00017300
0.00366165 0.02623696 0.01094197
1.96408786 1.10399495 -1.39711959
-0.00018437 -0.00005570 -0.00026361
-0.01913140 0.00047380 0.02169348
12.54504453 8.41350149 3.75106186
0.00020722 -0.00029800 -0.00008159
-0.00140447 0.00613070 -0.02919311
-7.19540091 -4.48149910 2.94009909
-0.00044092 0.00019099 0.00049422
0.04458227 -0.00905891 -0.04183810
-10.07834195 -3.85500495 2.36550194
0.00014712 0.00042015 -0.00033743
0.03257322 0.00915654 0.00593839
-16.37526807 5.52031465 6.74773855
-0.00016598 -0.00084082 -0.00020605
-0.01788054 -0.00751118 0.00391053
-17.29381568 3.64494983 4.79868825
-0.00034770 -0.00014180 -0.00099213
-0.01056737 0.00154828 0.01317299
-16.04404261 0.95863318 0.59485659
0.00059350 0.00035057 -0.00015905
0.00375127 -0.03696317 -0.01574655
-16.66082956 -1.86267332 -0.49947454
0.00024565 0.00020196 -0.00072152
-0.06538004 -0.03222342 -0.04366736
1.36861311 -21.22388388 15.03287157
-0.00086280 0.00050881 0.00056013
0.01095307 0.02794536 0.00850485
3.33501260 -18.87886720 16.05727920
-0.00065106 0.00000468 0.00007100
-0.01116810 0.01779321 -0.00104038
8.05974618 14.14891557 -1.24073366
-0.00004337 -0.00011322 -0.00008186
0.00146037 0.01297052 0.00435726
6.94844073 16.39875741 0.32481226
-0.00112123 0.00036238 0.00016028
0.00210451 -0.00129935 -0.00495747
-8.71730319 9.27278090 12.44292323
-0.00072623 -0.00137329 -0.00002317
-0.00505569 -0.00429705 0.00014196
-10.85328108 11.03127339 11.42927864
0.00011187 -0.00070941 -0.00035117
0.01880116 -0.01637395 -0.00098382
-10.04891952 0.38941409 -14.48398787
-0.00095442 0.00041714 0.00010636
0.01937466 -0.01127607 0.00230689
-8.16470360 -1.63479963 -15.78206605
-0.00038785 0.00059828 -0.00181976
-0.00784748 0.02199080 0.02164312
-12.08861224 1.00044497 -6.88287247
-0.00004225 -0.00061980 0.00027356
0.01717755 0.02340972 0.00006525
-11.21875459 3.72106486 -5.78531245
0.00053837 -0.00024971 -0.00064240
0.00572461 -0.00391874 -0.00322349
-1.99465883 -6.47435557 14.74336131
-0.00023669 -0.00025037 0.00017336
0.01237844 0.01121444 0.00537704
-0.46960955 -5.72817326 17.19966254
-0.00020169 -0.00046791 0.00104163
-0.00185269 -0.00348335 0.02541599
-24.54515033 -0.31792737 -19.40626057
0.00125378 0.00040432 -0.00081801
0.01425147 0.00103310 0.01168328
-25.74543814 0.58379439 -21.91734600
-0.00077831 -0.00124498 -0.00046421
-0.00713653 0.01562922 -0.01559837
9.72480887 8.08411896 6.25977591
0.00082375 -0.00136469 -0.00003105
-0.00113017 -0.00558380 0.02427790
10.05253453 7.96054727 9.23773505
0.00028618 0.00027776 -0.00018829
-0.00186341 -0.00072954 -0.01392960
19.86033839 27.56048170 -3.82342007
0.00030849 0.00029216 0.00018879
0.00992895 0.01257511 -0.01195488
20.42754741 30.44800100 -4.69516123
0.00042847 -0.00064839 -0.00059968
0.00058639 -0.02031426 0.00234056
5.92114560 -0.92671080 -7.30200450
0.00079115 -0.00037688 -0.00053659
0.02729640 -0.00739444 0.00271605
7.66723274 -3.33410325 -7.05070265
0.00017908 0.00007634 0.00025662
-0.01349226 -0.02002061 0.00168577
-8.50807282 -2.20343627 12.35738065
0.00027934 -0.00065471 0.00078384
-0.01788130 -0.01493133 0.01401009
-11.01708876 -3.48948049 13.51209872
0.00034009 -0.00011265 0.00059962
-0.02408579 0.01733236 -0.00649505
-0.93907144 -24.31470524 14.86424495
0.00047739 -0.00082060 -0.00072177
-0.00761233 -0.00603637 -0.00569004
-2.98093385 -22.23273000 14.29989169
-0.00012805 -0.00038399 0.00052351
-0.01951056 0.00144413 -0.00089808
-12.66819951 -8.24780505 -7.37576387
0.00003263 -0.00006369 -0.00070260
-0.00478358 -0.00149363 0.00901208
-10.45438448 -7.02171746 -8.51439980
-0.00099184 -0.00120943 0.00216987
0.01692700 0.01915313 -0.00998092
-16.10883752 -10.36722746 -15.78106411
0.00026244 -0.00129464 0.00068347
0.00288465 -0.01275329 0.00484419
-14.25870050 -8.06446858 -16.18455378
-0.00004070 0.00037268 0.00014126
0.00162934 0.00006872 -0.00030720
17.37362626 12.90462849 5.36814014
0.00007114 -0.00012719 0.00015891
-0.00220639 -0.00066148 0.00751748
17.05449450 14.44905402 2.79025634
-0.00039980 0.00021271 0.00001604
0.00285481 -0.01945940 0.00680722
18.29757329 -4.56862246 -14.93161981
-0.00023086 -0.00078536 0.00040955
-0.00497364 0.00347692 0.00038418
20.74839836 -2.90463155 -15.42080054
0.00012059 0.00057185 -0.00029860
-0.01176587 -0.03714048 0.00997052
-0.46935527 6.69100553 -13.74143046
0.00144732 -0.00071147 -0.00039520
-0.00320818 0.01397460 -0.00839275
-0.28957728 7.27037899 -16.57802572
-0.00081458 0.00067686 -0.00092156
-0.00136557 0.01694263 0.02143482
0.65213868 0.66580063 -15.58819145
-0.00052055 0.00024972 -0.00025291
-0.00459982 0.00841269 0.00400775
2.28876821 -1.05795114 -16.99934883
-0.00014462 -0.00037154 0.00054627
0.04204417 -0.01713831 -0.00612762
12.52373043 22.43931211 -22.26999244
-0.00064283 -0.00106291 -0.00088727
-0.01814025 -0.01192411 -0.01564564
10.17453170 20.89937890 -23.36718698
-0.00005954 -0.00003928 -0.00015261
-0.01802903 0.00719144 0.00255648
-10.05511692 16.04971890 -17.41902977
-0.00110912 -0.00033605 0.00032712
-0.01156973 -0.00645215 0.01631137
-10.88973063 15.71683828 -14.65908102
-0.00035587 0.00062069 -0.00069905
0.00418775 0.00648499 0.02087324
3.40665193 18.72862345 11.43024861
-0.00041543 0.00058422 0.00107090
-0.00204028 -0.00259997 0.00414900
4.73337121 18.39287355 8.93041458
0.00020165 0.00013634 -0.00082036
0.00543917 -0.00618357 -0.00218097
-3.90649194 -10.51535635 -3.30112847
-0.00129081 0.00042452 0.00033902
0.00069627 0.00333408 -0.01177231
-1.68307458 -11.31155239 -1.71523883
-0.00162820 0.00076042 -0.00019530
0.00403446 -0.00063877 -0.01378914
0.08296175 -7.45718039 5.03361661
-0.00017905 -0.00023068 -0.00016221
-0.01030294 0.01054444 0.00652508
2.82214768 -8.47129838 5.07805700
0.00046640 -0.00005174 0.00026637
-0.02386468 0.00925586 -0.02897993
7.78156723 1.87896691 8.60152611
-0.00041177 0.00012250 -0.00096604
0.00752515 0.00407867 0.00272587
9.71464815 3.93025351 7.97391538
-0.00015068 0.00128345 0.00109206
-0.00174998 0.00410384 0.00011997
-8.17903604 -8.50592409 -4.25536371
-0.00044565 -0.00014004 0.00101843
-0.00664833 0.00746020 -0.01310690
-8.00324333 -10.19002820 -2.04967269
-0.00090948 -0.00011845 -0.00035060
-0.00331625 -0.00336106 0.00794046
4.69825658 -13.51152807 -12.10001503
-0.00018972 0.00074488 -0.00057207
-0.00592867 0.01309568 -0.01067145
2.39074646 -13.10519521 -13.86889080
-0.00026949 0.00057678 -0.00031435
-0.00904596 0.00060421 -0.00658374
1.36057427 -5.91270447 0.42755834
0.00056566 -0.00020786 0.00072033
0.00453875 0.02241395 -0.02207190
-0.31739802 -3.79042346 -0.32229680
-0.00029522 -0.00002923 -0.00036370
-0.00670620 0.00672068 -0.00060570
17.39627995 3.28349742 25.69585522
-0.00025517 -0.00011860 -0.00004436
-0.00260912 0.00303768 0.00827373
16.66833827 3.49950567 28.56929306
0.00007604 0.00060544 -0.00016964
0.01141513 0.02309930 -0.04076871
-10.71144521 7.40395831 -3.46530046
0.00026426 0.00143580 0.00073757
-0.00186307 0.00358342 -0.00209043
-8.31640145 6.91647180 -5.12104317
0.00008829 0.00056451 0.00022751
-0.00560597 0.00041526 -0.00438350
-6.28882293 15.91203998 -9.08577717
0.00031736 -0.00000934 -0.00000133
0.00489746 -0.00158947 -0.00685466
-4.61599002 14.41878698 -11.11346332
0.00068285 -0.00000217 -0.00017344
-0.00015083 0.00160813 0.01063174
2.72560774 11.00657721 -5.53350793
0.00013093 0.00064744 -0.00042442
0.00221445 0.00456687 -0.01369737
1.35623656 13.27650227 -6.98833790
0.00048442 0.00030749 0.00024158
0.01781565 -0.00802785 0.00652375
-2.57965303 11.16170975 -14.10387943
-0.00046324 -0.00025830 0.00066160
0.03916438 -0.02694857 -0.00676432
-5.21383559 10.70518305 -13.11758173
0.00059760 0.00043146 -0.00003555
-0.00638297 -0.00790932 0.00090208
4.68818382 7.37880194 18.99046798
0.00061405 -0.00077131 -0.00036046
-0.01077680 0.00174784 -0.02316925
2.09986178 6.75331372 17.73307457
0.00022245 -0.00026268 0.00021080
0.01214680 0.00901695 -0.01185770
-13.62164934 8.43143809 -8.94283034
-0.00055854 -0.00080156 -0.00002677
-0.04528802 0.00322241 -0.01452284
-16.02201819 8.43267562 -7.39942363
0.00053370 -0.00026838 0.00038834
-0.01992575 -0.00574335 0.01201408
5.25397363 10.48683076 0.75005623
0.00065517 -0.00097991 0.00026986
-0.03419167 -0.04195646 -0.00898660
2.29590934 10.32978292 0.75307566
-0.00001877 -0.00101392 -0.00115321
0.00427197 -0.01818651 0.00112497
14.37565863 -23.75512641 -25.61280618
-0.00014624 -0.00006514 0.00003124
0.00233460 -0.00540703 -0.00619006
15.21146566 -24.86504280 -28.26936843
0.00045099 -0.00096271 0.00098511
0.00350039 0.01615831 0.02870864
3.88590873 3.79320661 -0.29858424
-0.00061705 0.00097365 0.00151474
0.02444285 0.00224761 0.00867256
5.59206545 5.77614324 1.17709242
0.00068115 0.00023139 0.00100771
-0.00254176 -0.01111475 -0.01157082
17.86014004 -3.66158199 -0.45207927
0.00101057 0.00022672 0.00050445
-0.00980323 -0.01353119 0.01535995
16.11651891 -5.91624360 -1.07942343
-0.00064097 0.00067666 -0.00107299
0.00379280 -0.00532628 -0.00203973
-6.46329982 2.80041561 -1.82469737
0.00116085 -0.00048968 -0.00035636
-0.02254654 0.00430915 0.01032022
-4.92218718 1.35966634 -3.79848804
-0.00006747 0.00021101 0.00046894
-0.00757723 -0.01868946 -0.01489834
2.53434405 2.94406372 -11.72128028
0.00037965 0.00054785 -0.00136539
-0.01025214 -0.00304954 -0.00140044
0.37546306 1.29890376 -10.78478024
-0.00025901 -0.00069844 -0.00120582
-0.01794267 -0.04936695 0.04825162
16.98943974 7.93299114 -7.96945819
-0.00105514 -0.00032305 -0.00072003
-0.01272670 0.01555788 0.00626587
15.50242596 10.55798152 -6.58906995
-0.00117657 -0.00058462 0.00081786
0.01519615 -0.00910643 -0.00613887
-7.29882629 0.94204488 11.11719998
-0.00053589 0.00122060 0.00012148
0.01639881 0.00230825 0.01569184
-7.96366854 1.29313095 13.88057005
0.00007695 -0.00028634 0.00056072
-0.03652181 0.01688170 0.03170399
-2.50068858 -16.71339576 14.23473976
-0.00072753 -0.00017088 0.00089850
0.01535629 -0.00481655 0.02007820
-4.66644680 -17.54338434 12.45758354
-0.00035710 -0.00145534 0.00022854
-0.02355933 -0.03807318 -0.00680913
7.15537091 -6.11259509 -4.58341821
0.00095014 -0.00018295 -0.00074525
-0.00643900 -0.01011621 0.00313134
5.50471538 -7.79684159 -6.46096251
-0.00019227 0.00024908 -0.00027244
-0.01365243 -0.00256205 0.01339291
-2.85537883 -11.48293269 1.97749846
-0.00032263 -0.00009032 -0.00045026
0.01489172 0.00037927 -0.00259817
-0.34402601 -10.08603734 1.87997084
0.00018965 0.00037744 -0.00044462
-0.00253376 -0.01032112 0.00643656
-14.66585081 -0.72252138 6.25372973
-0.00041563 0.00000238 0.00023327
-0.01558375 -0.01484245 -0.01491623
-15.71226207 -1.81384358 3.64135274
0.00061656 0.00058216 0.00082085
-0.00234657 0.00480149 0.02476478
-9.55787466 4.54893030 -23.68943112
-0.00009752 -0.00042972 -0.00038899
0.00223888 -0.01121218 0.01665812
-8.99519796 4.43506490 -20.65523703
-0.00022393 -0.00017245 -0.00136771
-0.00399475 -0.00669326 -0.01952367
2.19931999 0.74811533 -3.20249983
-0.00023536 -0.00120933 0.00087177
-0.01318991 -0.00543331 0.01032143
0.52302537 0.29431985 -0.45295960
-0.00078096 -0.00062394 -0.00029871
0.03119842 0.01202759 -0.03578812
14.10292469 9.32754200 3.31822018
-0.00046220 -0.00020063 -0.00019256
-0.01287245 -0.00500138 0.01172790
11.44360642 8.81331129 2.26881193
0.00002257 0.00011824 -0.00120634
0.00931762 -0.00008832 0.01558182
5.38900165 -9.27926703 -10.56103525
-0.00007799 -0.00012517 -0.00003149
-0.00104771 0.00826532 -0.01062521
-12.97349194 10.39889009 21.28477744
0.00011359 -0.00003572 0.00009254
0.00850366 -0.00135575 -0.00383592
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06613453
0.32409103
431.83505329
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.133 s
total exchange = -52.3434108035 (a.u.)
total exchange computation time: 3.3508479595 s
-154.0764029511
-931.38971689
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.127 s
total exchange = -52.3435337279 (a.u.)
total exchange computation time: 3.3506069183 s
-154.0769051507
Anderson extrapolation: theta=1.3473087690 (1.3473087690)
-931.38997273
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.124 s
total exchange = -52.3436374114 (a.u.)
total exchange computation time: 3.3535919189 s
-154.0778485439
Anderson extrapolation: theta=0.0539145067 (0.0539145067)
-931.39012589
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.122 s
total exchange = -52.3435872452 (a.u.)
total exchange computation time: 3.3514351845 s
-154.0782142260
Anderson extrapolation: theta=1.9656191729 (1.9656191729)
-931.39013210
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.123 s
total exchange = -52.3434633769 (a.u.)
total exchange computation time: 3.3526151180 s
-154.0790296575
Anderson extrapolation: theta=0.2295065502 (0.2295065502)
-931.39013917
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.130 s
total exchange = -52.3434238965 (a.u.)
total exchange computation time: 3.3543968201 s
-154.0792233919
Anderson extrapolation: theta=1.8290775107 (1.8290775107)
-931.39014065
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.123 s
total exchange = -52.3433623647 (a.u.)
total exchange computation time: 3.3540880680 s
-154.0794518382
Anderson extrapolation: theta=0.2864057268 (0.2864057268)
-931.39014254
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.123 s
total exchange = -52.3433567814 (a.u.)
total exchange computation time: 3.3526570797 s
-154.0793951360
Anderson extrapolation: theta=1.3042968167 (1.3042968167)
-931.39014301
282.722266 30.518533 157.988049
-142.582403 489.873944 -806.135151
140.139863 520.392478 -648.147102
842.936640
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.125 s
total exchange = -52.3433588983 (a.u.)
total exchange computation time: 3.3514981270 s
678.46912522
-1082.62305511
89.74367190
-389.89389259
-174.74263391
77.68018694
551.60419304
0.00000000
-931.39014338
-8.69009987 -3.96704638 3.65320973
0.00035821 -0.00007557 0.00006559
-0.07114184 0.02566955 0.01571477
-17.80121391 4.32323935 6.45229059
0.00021973 -0.00019217 -0.00009660
0.02888505 0.00375700 -0.01929140
-15.54494789 -0.90838245 0.34029073
0.00015223 -0.00012138 -0.00018192
0.06448380 0.06745519 0.06110720
3.08886637 -20.56222693 15.48471345
-0.00030929 0.00004483 -0.00016177
0.00020034 -0.04425879 -0.00627610
7.75722884 16.01340883 -1.26917362
0.00037203 -0.00000423 0.00010393
-0.00262994 -0.01173891 0.00479848
-9.93764725 9.43967488 11.02755569
-0.00026401 -0.00004196 -0.00013299
-0.01147487 0.01455919 0.00215996
-8.34075151 -0.42805236 -14.32019588
-0.00001733 0.00015963 -0.00002818
-0.01338397 -0.01090909 -0.02651236
-10.79032215 2.38843271 -6.96886871
-0.00003320 0.00005844 0.00014161
-0.02606421 -0.04239678 -0.01196071
-0.38834162 -5.72749011 15.42115445
-0.00022071 0.00004884 0.00025830
-0.01429246 -0.00543593 -0.02350189
-25.75931063 -0.73366267 -20.67310160
-0.00029234 -0.00004711 0.00008484
0.00306345 -0.01176743 0.00779575
8.87881972 7.50116854 7.83801353
0.00000680 -0.00006602 -0.00015176
0.01218992 -0.00189771 -0.01601147
20.85804194 28.58246128 -5.04471193
0.00018235 -0.00027906 0.00002550
-0.00494900 0.00145614 0.02175083
7.70191869 -1.55662711 -7.26699308
-0.00020374 0.00004840 -0.00008488
-0.01001248 0.03172449 -0.00321161
-9.23834082 -3.45857335 13.55676905
0.00015546 0.00007108 0.00005023
0.04151942 -0.00894432 -0.00895806
-1.26094926 -22.69228558 14.04886840
0.00010382 0.00017007 0.00029028
0.02480203 -0.00764887 0.00413120
-11.00247494 -8.65373596 -8.07113185
0.00021728 0.00016373 0.00014914
-0.01109632 -0.03653612 0.00659692
-15.90805864 -8.59394880 -15.51698908
-0.00004310 0.00005521 -0.00004658
-0.01046155 0.00255851 -0.00271856
16.91154001 12.77147660 3.60585176
0.00045523 0.00018438 -0.00001516
-0.00178481 0.01230755 -0.02222459
20.09305904 -4.62191359 -14.79037364
-0.00026890 -0.00008213 -0.00013896
0.02344609 0.03234386 -0.01571804
-0.33143009 8.14370458 -14.90985556
0.00022192 -0.00012098 -0.00001235
-0.00757001 -0.03723658 -0.01486559
0.61238486 -0.49450178 -17.00110047
-0.00021967 0.00051738 -0.00013297
-0.03475879 0.01115090 0.00631071
11.97105257 20.87858378 -23.18602653
0.00054863 -0.00027015 0.00002974
0.02371382 -0.00996507 0.00561873
-11.33825138 15.20169495 -16.30089254
-0.00009586 -0.00016922 -0.00008416
-0.00697961 -0.01761756 -0.01870919
4.64572839 17.67491415 10.60805379
0.00039390 0.00009560 -0.00045767
-0.00985880 0.00916077 -0.00017830
-2.17169903 -11.09051869 -3.54485999
0.00022092 -0.00010576 -0.00002075
-0.01165721 0.00239883 0.01443657
1.31607507 -8.13860945 3.90141821
0.00018336 0.00006358 0.00043940
0.04045792 -0.00595506 0.02055540
9.57220578 2.12074386 8.28178064
-0.00013007 0.00026601 0.00009648
-0.01203430 0.00356287 -0.00220164
-6.95321038 -9.10756034 -3.08200087
-0.00002708 0.00048550 -0.00014280
-0.00583886 -0.00873448 0.01213205
3.83157325 -12.23511491 -13.15756677
-0.00012739 0.00016385 -0.00022780
0.01253443 -0.01315548 0.01136676
1.25518097 -4.50977489 -0.86205417
0.00005081 0.00011073 0.00018497
0.00218470 -0.03476597 0.02701362
17.21680666 4.53609939 27.02577270
0.00039073 0.00001359 -0.00021541
-0.00888920 -0.02774711 0.03120708
-9.74622064 6.05644433 -4.25634926
-0.00030271 -0.00009920 0.00056370
-0.00066515 0.02517099 0.02006767
-4.75298010 14.93811160 -9.33866542
0.00030519 0.00000734 -0.00015493
-0.00088404 -0.00017781 0.00137659
2.92266211 12.23946523 -6.90969645
-0.00027999 0.00015970 -0.00003865
-0.01357335 0.01242378 0.00311572
-4.08127680 11.98265422 -13.71882088
0.00019428 0.00020592 0.00010922
-0.03435735 0.03503174 0.00899173
3.85324427 7.32433079 17.29058661
-0.00005415 0.00010095 -0.00000898
-0.00438019 -0.01028348 0.03975324
-15.55130119 8.65284262 -9.13012457
-0.00028418 -0.00010483 -0.00007666
0.07015188 -0.00195886 0.00625505
3.75549610 9.22068956 0.59873335
0.00006767 0.00025231 0.00020780
0.04329813 0.04203363 0.00587040
15.88010900 -24.07105613 -26.68714525
0.00007697 -0.00016774 -0.00012744
-0.00845476 -0.01351511 -0.01296273
5.66250179 4.14669472 0.28277998
-0.00020463 -0.00011708 0.00021486
-0.02459837 0.01070310 0.00736651
17.29619316 -5.32366374 0.18535594
0.00021838 -0.00012961 -0.00022900
-0.00155429 0.00866732 -0.01311185
-4.80108246 2.40708444 -2.34788772
-0.00023317 0.00006390 0.00039324
0.05405278 0.01751237 0.00430153
0.74966470 2.54253478 -11.90521132
-0.00016831 0.00016971 -0.00002801
0.02752699 0.05444899 -0.05864744
15.40664511 8.84359513 -7.22627359
0.00006016 0.00003693 0.00037252
-0.00460679 -0.01004297 -0.00266659
-6.55105955 1.06566235 12.84501405
-0.00034854 0.00017800 0.00004503
0.02661556 -0.00943598 -0.05370399
-3.59482602 -16.22379867 12.89267156
-0.00006482 0.00014318 -0.00008504
0.00072702 0.03274060 -0.02078417
6.97708719 -6.71271861 -6.33584202
-0.00023635 0.00041381 -0.00018104
0.01125335 0.00750222 -0.00685411
-1.11741832 -11.68371115 1.27072970
-0.00010603 -0.00021749 -0.00043288
-0.02157370 0.01521297 0.00759567
-16.01340206 -1.80436654 5.54539620
0.00036983 -0.00004002 0.00046814
0.01162018 0.00806048 -0.01403970
-9.24988278 3.39453201 -22.19588543
-0.00013368 -0.00015190 -0.00016878
0.00246172 0.02261285 0.00549959
1.96124859 1.10316126 -1.40098998
-0.00019526 -0.00005567 -0.00025056
-0.02322938 -0.00036955 0.02903960
12.54814747 8.40905519 3.74972537
0.00020483 -0.00029488 -0.00009771
-0.00791619 0.00599943 -0.03348731
-7.20064860 -4.47891182 2.94623030
-0.00024322 0.00014862 0.00031640
0.05219576 -0.01168330 -0.04520662
-10.07513702 -3.84842213 2.36062243
0.00028406 0.00045666 -0.00030932
0.03446006 0.00871784 0.00782069
-16.37830574 5.50747219 6.74476756
-0.00023193 -0.00086556 -0.00018907
-0.01440006 -0.00459998 0.00440567
-17.29935504 3.64287020 4.78420992
-0.00039257 -0.00013224 -0.00093062
-0.01139373 0.00313280 0.01693685
-16.03502511 0.96275906 0.59198835
0.00060860 0.00019734 -0.00022412
0.00364048 -0.03804591 -0.01610649
-16.65914823 -1.86063135 -0.51163543
-0.00001862 0.00007338 -0.00089830
-0.06398121 -0.03071467 -0.04286989
1.35600673 -21.21539545 15.04153415
-0.00081591 0.00062217 0.00059446
0.01200144 0.02754551 0.00829923
3.32490452 -18.87825169 16.05831226
-0.00069599 0.00007655 0.00006707
-0.01082729 0.01738783 -0.00088334
8.05914035 14.14761466 -1.24182809
-0.00003785 -0.00005955 -0.00006305
0.00124132 0.01330222 0.00485048
6.93168672 16.40415327 0.32706454
-0.00110690 0.00035361 0.00012968
0.00491098 -0.00299270 -0.01002265
-8.72835156 9.25204989 12.44258009
-0.00074599 -0.00138915 -0.00002174
-0.00461878 -0.00346627 0.00055658
-10.85102688 11.02013042 11.42398095
0.00018409 -0.00076743 -0.00035264
0.01654942 -0.01202706 0.00026331
-10.06264217 0.39532572 -14.48232181
-0.00086637 0.00036758 0.00011699
0.02372743 -0.01298839 0.00289592
-8.17076187 -1.62515157 -15.80869924
-0.00041993 0.00069395 -0.00172186
-0.00785441 0.02484222 0.02627890
-12.08871964 0.99186528 -6.87876713
0.00003077 -0.00051931 0.00027394
0.01856450 0.02578183 0.00012168
-11.21050359 3.71719906 -5.79504726
0.00055730 -0.00025650 -0.00064633
0.00353912 0.00059643 0.00130219
-1.99782985 -6.47776744 14.74612643
-0.00018519 -0.00020411 0.00019575
0.01282881 0.01142679 0.00558294
-0.47269163 -5.73529864 17.21606575
-0.00020863 -0.00048204 0.00113066
-0.00154797 -0.00343389 0.01816632
-24.52590688 -0.31183086 -19.41817275
0.00130564 0.00040660 -0.00077660
0.01113361 0.00007879 0.00858692
-25.75733152 0.56559861 -21.92478717
-0.00080729 -0.00117527 -0.00053253
-0.00704873 0.01849427 -0.01784532
9.73713053 8.06347750 6.26005415
0.00081935 -0.00138601 0.00006529
-0.00102630 -0.00485187 0.02288147
10.05677013 7.96469134 9.23448393
0.00027705 0.00027417 -0.00024581
-0.00260572 -0.00103103 -0.01422909
19.86527001 27.56524950 -3.82095455
0.00034726 0.00034138 0.00014230
0.00904695 0.01151661 -0.01080039
20.43399244 30.43765266 -4.70408466
0.00042983 -0.00072693 -0.00058889
0.00008043 -0.01813253 0.00293998
5.93384934 -0.93259056 -7.30997006
0.00088928 -0.00040253 -0.00052555
0.02073910 -0.00516414 0.00268804
7.66950553 -3.33357167 -7.04680172
0.00012377 -0.00000432 0.00026321
-0.01358145 -0.01946290 0.00154259
-8.50443067 -2.21371452 12.36956759
0.00020978 -0.00070713 0.00083300
-0.01616809 -0.01072769 0.01005439
-11.01272555 -3.49063910 13.52089398
0.00023966 -0.00004159 0.00057204
-0.02507090 0.01745194 -0.00700387
-0.93214391 -24.32719917 14.85324406
0.00044487 -0.00083932 -0.00074731
-0.00830496 -0.00313076 -0.00681466
-2.98345247 -22.23844566 14.30771677
-0.00020524 -0.00037920 0.00051944
-0.01827447 0.00090314 -0.00109473
-12.66785663 -8.24880611 -7.38602672
0.00001016 -0.00007194 -0.00066429
-0.00621652 -0.00254654 0.00974163
-10.46874334 -7.03927196 -8.48215755
-0.00090774 -0.00109407 0.00211868
0.02423895 0.03731757 -0.01507805
-16.10481259 -10.38703779 -15.77066359
0.00027670 -0.00132696 0.00070575
0.00409972 -0.00307176 0.00605986
-14.25926103 -8.05887634 -16.18244436
-0.00003454 0.00037171 0.00013972
0.00138686 -0.00054292 -0.00044318
17.37462577 12.90270039 5.37075418
0.00006213 -0.00012920 0.00018837
-0.00220355 -0.00032119 0.00690177
17.04858491 14.45164833 2.79070553
-0.00038743 0.00013440 0.00004386
0.00320327 -0.01887231 0.00681042
18.29395799 -4.58029631 -14.92546482
-0.00025248 -0.00076963 0.00041052
-0.00561195 0.00422217 0.00009030
20.74984660 -2.89719197 -15.42497409
0.00006846 0.00041426 -0.00025595
-0.01374746 -0.03999963 0.01090695
-0.44774373 6.68076166 -13.74761557
0.00143366 -0.00065356 -0.00043082
-0.00347790 0.01437392 -0.00904562
-0.30183784 7.28105114 -16.59119223
-0.00081989 0.00074738 -0.00082898
-0.00123547 0.01757474 0.02388199
0.64418953 0.66980420 -15.59186224
-0.00053895 0.00028671 -0.00023362
-0.00440756 0.00969527 0.00543522
2.28788720 -1.06404940 -16.99134253
0.00001886 -0.00043879 0.00052178
0.03798135 -0.01578215 -0.00586187
12.51353217 22.42300300 -22.28378086
-0.00070940 -0.00109674 -0.00094156
-0.01445009 -0.00463554 -0.01092916
10.17308614 20.89901005 -23.36939784
-0.00012261 -0.00001128 -0.00014167
-0.01284494 0.00651642 0.00279922
-10.07210830 16.04448044 -17.41362308
-0.00114912 -0.00035845 0.00038629
-0.00800791 -0.00451534 0.01264842
-10.89494031 15.72634736 -14.66892720
-0.00033751 0.00064941 -0.00060703
0.00479824 0.00757309 0.02417287
3.40035802 18.73730711 11.44643925
-0.00040712 0.00056049 0.00107465
0.00610748 -0.00901608 -0.00231371
4.73656261 18.39472916 8.91804228
0.00022213 0.00011046 -0.00082349
0.00458570 -0.00648417 0.00064846
-3.92583271 -10.50888638 -3.29640385
-0.00126708 0.00043137 0.00028559
0.01091857 0.00001761 -0.01438538
-1.70737403 -11.30016566 -1.71859084
-0.00160580 0.00075522 -0.00024449
0.00693347 -0.00190808 -0.01028832
0.07996031 -7.46031754 5.03138338
-0.00022264 -0.00018658 -0.00013265
-0.01103549 0.01104669 0.00794690
2.82841241 -8.47179083 5.08116449
0.00036766 -0.00001339 0.00014847
-0.02446916 0.00951549 -0.02873443
7.77562128 1.88092941 8.58711898
-0.00037976 0.00013932 -0.00095496
0.00814295 0.00415640 0.00269777
9.71233438 3.94963104 7.99030001
-0.00015877 0.00128906 0.00109397
-0.00221058 -0.00135896 0.00081477
-8.18592447 -8.50779601 -4.24048884
-0.00047928 -0.00010397 0.00095539
-0.00981700 0.01019340 -0.01775505
-8.01698720 -10.19190794 -2.05468837
-0.00091467 -0.00012625 -0.00032249
0.00077766 -0.00045816 0.00582173
4.69522915 -13.49995359 -12.10892312
-0.00021071 0.00079160 -0.00061107
-0.00434944 0.00977423 -0.00841781
2.38642687 -13.09652493 -13.87380775
-0.00030681 0.00057833 -0.00034143
-0.00922242 0.00015161 -0.00667323
1.36919824 -5.91513551 0.43768695
0.00058228 -0.00011097 0.00062619
0.00359694 0.02501315 -0.02401258
-0.32203188 -3.79065592 -0.32777090
-0.00032095 -0.00000370 -0.00036584
-0.00588885 0.00577228 -0.00044270
17.39237242 3.28181157 25.69544341
-0.00026568 -0.00010732 -0.00001180
-0.00253685 0.00248032 0.00766131
16.66982867 3.50929507 28.56549913
0.00012212 0.00069783 -0.00033402
0.01114189 0.02212585 -0.03969385
-10.70753838 7.42560509 -3.45430094
0.00026169 0.00143949 0.00072449
0.00060263 -0.00177721 -0.00431528
-8.31524893 6.92495225 -5.11776485
0.00005962 0.00056067 0.00021286
-0.00842850 -0.00229769 -0.00278910
-6.28391251 15.91185111 -9.08600724
0.00033708 -0.00001592 -0.00003003
0.00475475 -0.00162981 -0.00719063
-4.60575194 14.41880375 -11.11573906
0.00068153 0.00000484 -0.00012959
-0.00049299 0.00182123 0.01083169
2.72763950 11.01642883 -5.54029397
0.00013852 0.00065975 -0.00047310
0.00150069 0.00145427 -0.01013401
1.36404880 13.28086860 -6.98451422
0.00055047 0.00027838 0.00026786
0.01451331 -0.00622038 0.00633675
-2.58540150 11.15700940 -14.09416270
-0.00029555 -0.00037101 0.00063186
0.04292244 -0.02821987 -0.00779219
-5.20506722 10.71141253 -13.11808730
0.00056541 0.00039467 -0.00002890
-0.00937486 -0.01009601 0.00235269
4.69706426 7.36728585 18.98435115
0.00056976 -0.00076372 -0.00045416
-0.01089955 0.00196531 -0.02269946
2.10357077 6.74964979 17.73587321
0.00027107 -0.00022590 0.00016265
0.01165383 0.00898734 -0.01171012
-13.63141519 8.41951345 -8.94367698
-0.00074008 -0.00078793 -0.00008729
-0.04357502 0.00345079 -0.01510049
-16.01462330 8.42847395 -7.39323035
0.00045181 -0.00029111 0.00043295
-0.02015864 -0.00538220 0.00982207
5.26275337 10.47084641 0.75382882
0.00051494 -0.00114626 0.00023363
-0.03445081 -0.03947306 -0.00875260
2.29575870 10.31401683 0.73581193
-0.00000951 -0.00107863 -0.00114705
0.00025888 -0.01348960 0.00189379
14.37353657 -23.75626926 -25.61252733
-0.00013367 -0.00008780 0.00000427
0.00382005 -0.00568294 -0.00701050
15.21833775 -24.87898837 -28.25371205
0.00046226 -0.00089998 0.00109363
0.00201691 0.01455191 0.02441291
3.87740196 3.80788019 -0.27559735
-0.00051884 0.00098149 0.00154804
0.02363335 0.00159311 0.00762931
5.60220478 5.77927344 1.19185356
0.00067120 0.00017878 0.00095599
-0.00232564 -0.01463564 -0.01374598
17.87499824 -3.65859586 -0.44404178
0.00096852 0.00016808 0.00056805
-0.01078228 -0.01517112 0.01576846
16.10702060 -5.90625695 -1.09558074
-0.00061638 0.00065974 -0.00107178
0.00824303 -0.00295308 0.00263281
-6.44657802 2.79320244 -1.82972660
0.00104197 -0.00046519 -0.00030556
-0.03564592 0.00767745 0.01455054
-4.92343148 1.36225873 -3.79191049
-0.00009757 0.00013374 0.00040618
-0.00715557 -0.01913423 -0.01582319
2.53972463 2.95218805 -11.74180411
0.00033026 0.00053173 -0.00136979
-0.01392403 -0.00484127 -0.00075006
0.37102816 1.28691441 -10.80138899
-0.00032979 -0.00090049 -0.00100896
-0.01670900 -0.04953781 0.04811242
16.97322261 7.92862211 -7.98006670
-0.00110162 -0.00025987 -0.00069442
-0.01002608 0.01537105 0.00627441
15.48524309 10.54893313 -6.57699016
-0.00111213 -0.00061442 0.00079416
0.01634610 -0.00548011 -0.00546088
-7.30636205 0.96042456 11.11950305
-0.00046980 0.00122885 0.00018516
0.01594975 0.00173266 0.01547737
-7.96363349 1.28935315 13.88995237
-0.00007229 -0.00021769 0.00068984
-0.03652987 0.01672140 0.03150228
-2.51113099 -16.71610660 14.24883245
-0.00066844 -0.00018725 0.00097529
0.01356728 -0.00319528 0.01751363
-4.67252518 -17.56638115 12.46080301
-0.00043772 -0.00159081 0.00020679
-0.01590481 -0.02824147 -0.00383847
7.16942569 -6.11564931 -4.59450108
0.00092319 -0.00022209 -0.00072465
-0.00675166 -0.00904352 0.00695461
5.50141293 -7.79318386 -6.46463869
-0.00024700 0.00023960 -0.00021663
-0.01313598 -0.00207833 0.01392537
-2.85976190 -11.48427588 1.97066491
-0.00025920 -0.00008857 -0.00046113
0.01615588 0.00047544 -0.00272325
-0.34125886 -10.08069196 1.87349873
0.00017591 0.00032836 -0.00042040
-0.00419316 -0.01370373 0.00542232
-14.67256284 -0.72294046 6.25677165
-0.00047274 -0.00005332 0.00017693
-0.01237185 -0.01242426 -0.01266293
-15.70308564 -1.80496411 3.65442438
0.00060621 0.00060023 0.00091812
-0.00271995 0.00404638 0.02284752
-9.55926891 4.54214093 -23.69475552
-0.00008825 -0.00047526 -0.00032150
0.00230133 -0.01107978 0.01637717
-8.99867936 4.43227309 -20.67635097
-0.00023845 -0.00019288 -0.00143543
-0.00311104 -0.00330918 -0.01362392
2.19538538 0.72980895 -3.18910694
-0.00028690 -0.00123307 0.00090167
-0.01203832 -0.00619078 0.00431280
0.51226695 0.28532939 -0.45853686
-0.00064758 -0.00057142 -0.00044710
0.03409183 0.01367649 -0.03685004
14.09559723 9.32437925 3.31569118
-0.00050750 -0.00021769 -0.00014549
-0.00930147 -0.00334622 0.01131248
11.44423048 8.81508218 2.25119434
0.00006638 0.00011475 -0.00113269
0.01212989 -0.00161839 0.02046896
5.38782893 -9.28112236 -10.56153610
-0.00007838 -0.00012219 -0.00003530
-0.00109875 0.00836261 -0.01065556
-12.97177334 10.39835194 21.28615884
0.00011559 -0.00003605 0.00009164
0.00873263 -0.00146663 -0.00392546
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06630357
0.32383981
431.50030958
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.122 s
total exchange = -52.3458394023 (a.u.)
total exchange computation time: 3.2945430279 s
-154.0910405541
-931.38912869
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.122 s
total exchange = -52.3459544454 (a.u.)
total exchange computation time: 3.2906570435 s
-154.0916338161
Anderson extrapolation: theta=1.3481960878 (1.3481960878)
-931.38939025
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.125 s
total exchange = -52.3460566776 (a.u.)
total exchange computation time: 3.2902140617 s
-154.0926264811
Anderson extrapolation: theta=0.0544422338 (0.0544422338)
-931.38954708
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.127 s
total exchange = -52.3460140661 (a.u.)
total exchange computation time: 3.2912540436 s
-154.0929379262
Anderson extrapolation: theta=1.9689781964 (1.9689781964)
-931.38955348
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.129 s
total exchange = -52.3459091867 (a.u.)
total exchange computation time: 3.2892742157 s
-154.0936219827
Anderson extrapolation: theta=0.2259933206 (0.2259933206)
-931.38956066
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.126 s
total exchange = -52.3458775990 (a.u.)
total exchange computation time: 3.2894520760 s
-154.0937673257
Anderson extrapolation: theta=1.7945183253 (1.7945183253)
-931.38956211
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.124 s
total exchange = -52.3458325124 (a.u.)
total exchange computation time: 3.2955801487 s
-154.0939040673
Anderson extrapolation: theta=0.2764666617 (0.2764666617)
-931.38956393
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.125 s
total exchange = -52.3458324647 (a.u.)
total exchange computation time: 3.2908210754 s
-154.0938244505
Anderson extrapolation: theta=1.3040087384 (1.3040087384)
-931.38956436
282.738820 30.435444 157.995481
-142.629970 489.849734 -806.168356
140.108851 520.285178 -648.172875
842.885064
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.132 s
total exchange = -52.3458417379 (a.u.)
total exchange computation time: 3.2893950939 s
678.50675050
-1082.70665742
89.74091306
-389.83611157
-174.74861755
77.72622134
551.60419304
0.00000000
-931.38956473
-8.68500115 -3.96808094 3.65425420
0.00032001 -0.00006182 0.00007397
-0.07740698 0.02781264 0.01685848
-17.79780652 4.32037132 6.45076721
0.00023370 -0.00019143 -0.00010749
0.02542239 -0.00088513 -0.02305823
-15.54241563 -0.90994288 0.33779764
0.00018435 -0.00008759 -0.00015128
0.06040553 0.06391528 0.05805445
3.08422781 -20.56172517 15.48226262
-0.00030934 0.00002249 -0.00016495
-0.00041622 -0.04261270 -0.00607987
7.76279918 16.01330007 -1.26759609
0.00037005 -0.00000984 0.00010746
-0.00508157 -0.01006219 0.00889653
-9.94165171 9.43910158 11.02556925
-0.00026923 -0.00003592 -0.00013230
-0.00882201 0.00895703 0.00051299
-8.34106315 -0.42569997 -14.32072082
-0.00002519 0.00015381 -0.00004296
-0.01715261 -0.01171368 -0.03097430
-10.79092073 2.38914580 -6.96679072
-0.00004634 0.00003502 0.00013433
-0.02503590 -0.04866992 -0.01635510
-0.39170737 -5.72677846 15.42493835
-0.00022813 0.00004607 0.00024814
-0.01455545 -0.00535464 -0.01600906
-25.76368387 -0.73441467 -20.67179896
-0.00028985 -0.00005341 0.00009021
0.00661100 -0.01274598 0.01310651
8.87896876 7.50017088 7.83567535
0.00001323 -0.00006711 -0.00015946
0.01279529 -0.00231648 -0.01394479
20.86075815 28.57828098 -5.04424554
0.00018021 -0.00027866 0.00003617
-0.00336665 0.00011208 0.01974233
7.69882404 -1.55577879 -7.26827864
-0.00020688 0.00006371 -0.00008643
-0.00221542 0.02784108 -0.00284114
-9.23584871 -3.45754162 13.55748791
0.00017622 0.00006522 0.00004687
0.03919328 -0.01383645 -0.00407864
-1.25929629 -22.68976397 14.05323849
0.00011619 0.00016552 0.00029273
0.02328870 -0.01006175 0.00539131
-10.99925853 -8.65142089 -8.06886932
0.00021003 0.00014053 0.00015357
-0.01708683 -0.05369473 0.01064127
-15.90874543 -8.59311077 -15.51769826
-0.00004873 0.00005430 -0.00004823
-0.01143565 -0.00610178 -0.00371750
16.91836164 12.77428976 3.60553864
0.00045424 0.00019035 -0.00002633
-0.00207312 0.01090182 -0.02119757
20.08911600 -4.62302081 -14.79251865
-0.00025634 -0.00006514 -0.00014715
0.02536992 0.03374944 -0.01612886
-0.32813051 8.14174618 -14.91009809
0.00021802 -0.00014022 -0.00002034
-0.00759344 -0.03756527 -0.01622100
0.60895575 -0.48669812 -17.00307062
-0.00023617 0.00052230 -0.00013014
-0.02938942 0.00798240 0.00469161
11.97937350 20.87449308 -23.18555876
0.00055835 -0.00027721 0.00003127
0.01410293 -0.01750541 0.00032803
-11.33971620 15.19908866 -16.30222716
-0.00010048 -0.00017905 -0.00009335
-0.01098689 -0.02058174 -0.01702654
4.65159891 17.67638349 10.60118801
0.00038718 0.00010182 -0.00045686
-0.01628212 0.01503827 0.00335753
-2.16843015 -11.09209585 -3.54511562
0.00021194 -0.00010342 -0.00001389
-0.02326131 0.00668713 0.01227124
1.31898146 -8.13767877 3.90808844
0.00020420 0.00006038 0.00044944
0.04060871 -0.00647107 0.01848925
9.57020834 2.12474779 8.28321932
-0.00013628 0.00026919 0.00009520
-0.01210431 0.00877966 -0.00278600
-6.95363907 -9.10031154 -3.08409607
-0.00003042 0.00047960 -0.00013497
-0.00715005 -0.01419014 0.01833136
3.82971073 -12.23270794 -13.16093997
-0.00012142 0.00015805 -0.00022266
0.01067228 -0.00938755 0.00864220
1.25595150 -4.50824803 -0.85917547
0.00005189 0.00009259 0.00019919
0.00201394 -0.03576032 0.02828252
17.22263338 4.53619627 27.02266188
0.00038630 -0.00000012 -0.00019969
-0.00834248 -0.02556565 0.02994481
-9.75076381 6.05505348 -4.24781632
-0.00030288 -0.00008433 0.00057400
0.00000899 0.03262751 0.01997444
-4.74840570 14.93822100 -9.34098401
0.00030486 0.00000722 -0.00015411
-0.00037598 -0.00027749 0.00178142
2.91840988 12.24190860 -6.91026421
-0.00028582 0.00016640 -0.00003798
-0.00907903 0.01364391 -0.00051515
-4.07849513 11.98587812 -13.71714789
0.00017690 0.00022446 0.00011361
-0.03324280 0.03708130 0.00806217
3.85241513 7.32580532 17.29060527
-0.00005617 0.00009568 0.00001114
-0.00348426 -0.01019447 0.03847474
-15.55529330 8.65126255 -9.13125030
-0.00024880 -0.00010594 -0.00007267
0.06741901 -0.00235117 0.00925211
3.75667819 9.22463630 0.60187299
0.00009083 0.00027188 0.00021060
0.04673820 0.03409403 0.00503795
15.88123088 -24.07362432 -26.68910683
0.00007275 -0.00017405 -0.00013263
-0.00794402 -0.01101756 -0.00724462
5.65933740 4.14497983 0.28603126
-0.00021696 -0.00011060 0.00021939
-0.02334342 0.01447286 0.01027747
17.29946280 -5.32557441 0.18187031
0.00021672 -0.00012540 -0.00023688
-0.00489819 0.00768591 -0.01752323
-4.80437147 2.40811043 -2.34197260
-0.00020226 0.00007201 0.00039433
0.06614367 0.01402925 -0.00003950
0.74724622 2.54529052 -11.90585767
-0.00015390 0.00019745 -0.00005765
0.02852251 0.05342258 -0.05662037
15.40752981 8.84411035 -7.22069607
0.00005684 0.00003080 0.00037096
-0.00833987 -0.01381456 -0.00338956
-6.55618503 1.06829601 12.84548237
-0.00033503 0.00017340 0.00001799
0.02592985 -0.00847705 -0.05144311
-3.59579546 -16.22152471 12.89131583
-0.00006596 0.00015696 -0.00009566
-0.00516846 0.02084025 -0.02052935
6.97358540 -6.70648247 -6.33858409
-0.00023073 0.00041717 -0.00018565
0.01059141 0.00553436 -0.01107232
-1.11909206 -11.68691487 1.26426580
-0.00011687 -0.00020888 -0.00042854
-0.02057236 0.01826359 0.00926876
-16.00780979 -1.80493569 5.55236415
0.00037489 -0.00003649 0.00046084
0.00807253 0.00564330 -0.01433410
-9.25187855 3.39234066 -22.19839587
-0.00013274 -0.00014141 -0.00016744
0.00122899 0.01821599 -0.00030199
1.95823011 1.10232473 -1.40463635
-0.00020804 -0.00005593 -0.00023389
-0.02645881 -0.00064259 0.03576518
12.55118933 8.40465518 3.74813054
0.00019914 -0.00029194 -0.00011582
-0.01421187 0.00543544 -0.03692546
-7.20269742 -4.47704057 2.94959097
-0.00001976 0.00009742 0.00012742
0.05718951 -0.01337995 -0.04729818
-10.06982015 -3.84130504 2.35622222
0.00042722 0.00049142 -0.00027461
0.03561548 0.00829740 0.00917301
-16.38222592 5.49434782 6.74206657
-0.00028267 -0.00087770 -0.00016995
-0.01043633 -0.00134044 0.00495284
-17.30559267 3.64098257 4.77076958
-0.00044031 -0.00011669 -0.00085489
-0.01197553 0.00448110 0.02013305
-16.02578450 0.96455327 0.58813301
0.00062285 0.00004131 -0.00029031
0.00333251 -0.03833225 -0.01629226
-16.66138807 -1.86047177 -0.52642365
-0.00027082 -0.00004377 -0.00106689
-0.05947236 -0.02663439 -0.03965615
1.34413586 -21.20521886 15.05070536
-0.00076545 0.00073334 0.00062768
0.01269747 0.02687335 0.00796111
3.31413287 -18.87657055 16.05929118
-0.00073955 0.00014537 0.00006330
-0.01049420 0.01629678 -0.00096096
8.05861059 14.14712900 -1.24262525
-0.00003311 -0.00000523 -0.00004229
0.00108018 0.01328908 0.00531388
6.91523369 16.40936573 0.32870256
-0.00108133 0.00033817 0.00007937
0.00760675 -0.00456429 -0.01460073
-8.73968301 9.23110646 12.44227105
-0.00076441 -0.00140165 -0.00001882
-0.00439670 -0.00265168 0.00087375
-10.84775844 11.00825037 11.41869940
0.00024632 -0.00080634 -0.00034866
0.01391379 -0.00701526 0.00168777
-10.07491065 0.40044134 -14.48047828
-0.00076198 0.00031175 0.00012986
0.02737247 -0.01433811 0.00340773
-8.17730151 -1.61398103 -15.83372189
-0.00045170 0.00079973 -0.00160655
-0.00769622 0.02693697 0.03016615
-12.08768929 0.98486566 -6.87465434
0.00010821 -0.00041047 0.00027459
0.01934616 0.02749429 0.00019957
-11.20203568 3.71336982 -5.80470226
0.00056739 -0.00024444 -0.00063156
0.00140305 0.00530924 0.00592833
-2.00021464 -6.48047900 14.74923371
-0.00013264 -0.00015741 0.00021866
0.01289771 0.01143760 0.00563353
-0.47586857 -5.74263447 17.23358230
-0.00021430 -0.00049582 0.00118920
-0.00122760 -0.00331041 0.01049139
-24.50598109 -0.30572951 -19.42955867
0.00134396 0.00040477 -0.00074836
0.00762203 -0.00097373 0.00523625
-25.76965689 0.54853627 -21.93332200
-0.00083590 -0.00109531 -0.00060879
-0.00695568 0.02064848 -0.01948400
9.74938929 8.04253869 6.26173471
0.00081569 -0.00140414 0.00015493
-0.00076268 -0.00402322 0.02099741
10.06084603 7.96877223 9.23036076
0.00026498 0.00026933 -0.00030417
-0.00330095 -0.00133583 -0.01434016
19.87075608 27.57072311 -3.81915095
0.00038182 0.00038560 0.00010130
0.00787350 0.01013007 -0.00927037
20.44044239 30.42619304 -4.71282791
0.00042899 -0.00079571 -0.00057567
-0.00049180 -0.01553409 0.00352937
5.94782409 -0.93878681 -7.31777087
0.00095850 -0.00041832 -0.00051484
0.01314380 -0.00256333 0.00255468
7.67094596 -3.33423289 -7.04280626
0.00006815 -0.00008104 0.00026901
-0.01364728 -0.01808918 0.00129280
-8.50177939 -2.22465022 12.38237073
0.00014819 -0.00074114 0.00086482
-0.01397909 -0.00591784 0.00551914
-11.00989883 -3.49072814 13.52925999
0.00013752 0.00002995 0.00054255
-0.02492791 0.01756811 -0.00743463
-0.92572535 -24.33988497 14.84182553
0.00040962 -0.00084625 -0.00077721
-0.00894800 -0.00025783 -0.00782116
-2.98709106 -22.24410597 14.31547476
-0.00027599 -0.00037693 0.00051425
-0.01635793 0.00020978 -0.00144318
-12.66789473 -8.24996324 -7.39569254
-0.00001771 -0.00008451 -0.00062333
-0.00742747 -0.00360547 0.01030595
-10.48161669 -7.05453941 -8.45083938
-0.00079429 -0.00090450 0.00204791
0.03129399 0.05547493 -0.01956654
-16.10053640 -10.40703638 -15.75989168
0.00029560 -0.00132067 0.00073256
0.00514937 0.00615062 0.00706515
-14.25973656 -8.05331738 -16.18036211
-0.00002948 0.00036822 0.00013772
0.00108737 -0.00116488 -0.00053591
17.37549024 12.90075260 5.37379120
0.00005300 -0.00012989 0.00021483
-0.00226936 -0.00001674 0.00605141
17.04287164 14.45308604 2.79157210
-0.00037362 0.00005945 0.00007126
0.00355513 -0.01781714 0.00660279
18.28999876 -4.59171140 -14.91930429
-0.00027604 -0.00075095 0.00041036
-0.00591653 0.00492448 -0.00016572
20.75045230 -2.89220382 -15.42847919
0.00000898 0.00024690 -0.00021012
-0.01537269 -0.04192325 0.01153029
-0.42634533 6.67139871 -13.75435505
0.00141881 -0.00059469 -0.00046857
-0.00379591 0.01444235 -0.00943224
-0.31417412 7.29280037 -16.60289511
-0.00082458 0.00081968 -0.00072776
-0.00105600 0.01781610 0.02566513
0.63597024 0.67440195 -15.59519992
-0.00055645 0.00032852 -0.00020885
-0.00415883 0.01076975 0.00668554
2.28933393 -1.07111489 -16.98369549
0.00016251 -0.00049910 0.00049839
0.03233815 -0.01373907 -0.00558578
12.50244832 22.40640979 -22.29823909
-0.00076028 -0.00109884 -0.00097548
-0.01045399 0.00361181 -0.00567968
10.17085336 20.89904056 -23.37143715
-0.00016393 0.00001377 -0.00012968
-0.00738081 0.00574322 0.00306954
-10.08959046 16.03896526 -17.40744121
-0.00117358 -0.00037217 0.00042938
-0.00396499 -0.00219671 0.00844627
-10.89985593 15.73632057 -14.67729192
-0.00031728 0.00068194 -0.00050366
0.00510369 0.00835161 0.02642607
3.39443841 18.74543820 11.46248810
-0.00036734 0.00051217 0.00105284
0.01336199 -0.01463589 -0.00836249
4.74003506 18.39618738 8.90570973
0.00023919 0.00008342 -0.00081541
0.00376574 -0.00675460 0.00331069
-3.94450431 -10.50241532 -3.29256086
-0.00120414 0.00042548 0.00022197
0.01989123 -0.00289750 -0.01675634
-1.73124855 -11.28889587 -1.72257338
-0.00157181 0.00074496 -0.00027882
0.00970608 -0.00311473 -0.00652030
0.07628254 -7.46277768 5.02963719
-0.00026830 -0.00014093 -0.00009810
-0.01131430 0.01129950 0.00896193
2.83317751 -8.47170011 5.08251096
0.00026773 0.00002568 0.00003267
-0.02444713 0.00961171 -0.02795014
7.77017438 1.88314664 8.57287718
-0.00034564 0.00015642 -0.00094392
0.00855899 0.00421000 0.00270723
9.70988514 3.96892530 8.00673458
-0.00016871 0.00127280 0.00109843
-0.00265667 -0.00659862 0.00136455
-8.19341454 -8.50904323 -4.22670210
-0.00052509 -0.00005739 0.00087448
-0.01260711 0.01261087 -0.02184846
-8.03068341 -10.19381575 -2.05934726
-0.00090339 -0.00012237 -0.00030280
0.00474220 0.00235614 0.00381565
4.69193516 -13.48778008 -12.11834710
-0.00022468 0.00082387 -0.00064016
-0.00248684 0.00602039 -0.00582267
2.38154208 -13.08784536 -13.87913368
-0.00034428 0.00057832 -0.00036858
-0.00911894 -0.00015809 -0.00661543
1.37804265 -5.91603360 0.44634391
0.00059512 -0.00000495 0.00052541
0.00268721 0.02688340 -0.02531859
-0.32702663 -3.79053461 -0.33327214
-0.00034279 0.00001774 -0.00036745
-0.00480242 0.00472647 -0.00034524
17.38830941 3.28027772 25.69550113
-0.00027583 -0.00009851 0.00001791
-0.00242900 0.00183181 0.00688536
16.67200191 3.52044048 28.55927252
0.00016641 0.00078511 -0.00049200
0.01053618 0.02060079 -0.03763783
-10.70359463 7.44714296 -3.44356588
0.00026859 0.00142177 0.00070273
0.00277562 -0.00689463 -0.00633472
-8.31461296 6.93329188 -5.11465747
0.00001994 0.00054603 0.00020445
-0.01099274 -0.00486601 -0.00132778
-6.27871068 15.91156235 -9.08667799
0.00035593 -0.00002248 -0.00005999
0.00447469 -0.00158109 -0.00747873
-4.59554408 14.41893215 -11.11735097
0.00067888 0.00001251 -0.00008550
-0.00080355 0.00193446 0.01074895
2.72976323 11.02636957 -5.54770108
0.00014315 0.00065880 -0.00050659
0.00076966 -0.00191676 -0.00625597
1.37275052 13.28485371 -6.98030219
0.00060203 0.00025736 0.00029331
0.01072762 -0.00407125 0.00612286
-2.58851941 11.15057957 -14.08492352
-0.00011670 -0.00048677 0.00059901
0.04462217 -0.02844883 -0.00829214
-5.19687340 10.71702325 -13.11844869
0.00052147 0.00034947 -0.00001657
-0.01213279 -0.01203116 0.00368021
4.70527671 7.35589021 18.97684316
0.00052562 -0.00075528 -0.00054470
-0.01070902 0.00217054 -0.02162228
2.10799398 6.74653667 17.73795418
0.00031692 -0.00018953 0.00011538
0.01078696 0.00881761 -0.01143288
-13.64385159 8.40780029 -8.94544907
-0.00091274 -0.00077370 -0.00014976
-0.04094479 0.00351303 -0.01547902
-16.00846385 8.42394244 -7.38643511
0.00036933 -0.00031220 0.00046749
-0.02021737 -0.00494428 0.00708577
5.26942175 10.45244291 0.75706500
0.00037539 -0.00130091 0.00019853
-0.03385919 -0.03623038 -0.00842541
2.29562392 10.29742400 0.71866427
-0.00001726 -0.00112381 -0.00113793
-0.00404912 -0.00862815 0.00256751
14.37164862 -23.75776040 -25.61267813
-0.00011532 -0.00011145 -0.00002568
0.00516051 -0.00589198 -0.00765176
15.22533345 -24.89204211 -28.23655950
0.00046697 -0.00084483 0.00118302
0.00028777 0.01244518 0.01934287
3.87034358 3.82265140 -0.25214289
-0.00042493 0.00098657 0.00157687
0.02233458 0.00089136 0.00647963
5.61220158 5.78150669 1.20577227
0.00066206 0.00011293 0.00089594
-0.00215258 -0.01760150 -0.01564894
17.88919564 -3.65653951 -0.43503790
0.00092282 0.00010388 0.00063284
-0.01158614 -0.01625780 0.01594973
16.09802748 -5.89645128 -1.11157670
-0.00057414 0.00065201 -0.00105204
0.01243266 -0.00083266 0.00702570
-6.43204082 2.78645980 -1.83386408
0.00087054 -0.00042730 -0.00023781
-0.04826610 0.01087398 0.01860979
-4.92511431 1.36367846 -3.78630269
-0.00012583 0.00005576 0.00034121
-0.00667601 -0.01903612 -0.01598032
2.54425186 2.96001568 -11.76237392
0.00026707 0.00050853 -0.00137137
-0.01700585 -0.00651727 -0.00002637
0.36556923 1.27188908 -10.81504911
-0.00039390 -0.00109734 -0.00081782
-0.01467038 -0.04682124 0.04545515
16.95639102 7.92519511 -7.99029067
-0.00113678 -0.00019781 -0.00066904
-0.00718329 0.01500608 0.00614741
15.46906200 10.53954889 -6.56524506
-0.00104326 -0.00062907 0.00077342
0.01736595 -0.00169252 -0.00469468
-7.31292032 0.97891042 11.12275467
-0.00040611 0.00123472 0.00024693
0.01522567 0.00114014 0.01475899
-7.96583721 1.28660014 13.90126535
-0.00021824 -0.00015018 0.00081546
-0.03491549 0.01632930 0.02998656
-2.52074192 -16.71901327 14.26399849
-0.00061761 -0.00019654 0.00104026
0.01131666 -0.00135010 0.01428785
-4.67957830 -17.59110878 12.46378723
-0.00048688 -0.00168542 0.00019711
-0.00816106 -0.01806743 -0.00089768
7.18306669 -6.11925776 -4.60515772
0.00089526 -0.00025686 -0.00068848
-0.00692292 -0.00797633 0.01075175
5.49730542 -7.78965350 -6.46746144
-0.00029900 0.00023246 -0.00015879
-0.01231871 -0.00141578 0.01439021
-2.86315484 -11.48558993 1.96366446
-0.00019154 -0.00008644 -0.00047223
0.01696654 0.00056734 -0.00270914
-0.33874869 -10.07618643 1.86735892
0.00015579 0.00026619 -0.00040011
-0.00565529 -0.01672955 0.00450913
-14.68003310 -0.72412098 6.25903750
-0.00051567 -0.00009813 0.00013056
-0.00863897 -0.00951196 -0.01003338
-15.69407591 -1.79583665 3.66889625
0.00059449 0.00061515 0.00100643
-0.00301557 0.00325621 0.02038256
-9.56052212 4.53467252 -23.69907623
-0.00007895 -0.00051971 -0.00025584
0.00225117 -0.01068128 0.01576624
-9.00235142 4.42927847 -20.69829986
-0.00024908 -0.00019842 -0.00147764
-0.00209377 0.00059749 -0.00703727
2.19071299 0.71112315 -3.17544973
-0.00033350 -0.00126014 0.00090666
-0.01077322 -0.00705770 -0.00187204
0.50359789 0.27717710 -0.46637252
-0.00050444 -0.00051319 -0.00059827
0.03597725 0.01483027 -0.03714773
14.08769972 9.32101143 3.31385548
-0.00053746 -0.00022748 -0.00010038
-0.00536405 -0.00144581 0.01076713
11.44559795 8.81675389 2.23483121
0.00012054 0.00010538 -0.00104053
0.01437786 -0.00296925 0.02464554
5.38665031 -9.28293279 -10.56209416
-0.00007878 -0.00011918 -0.00003912
-0.00113335 0.00849247 -0.01069322
-12.97002434 10.39780869 21.28752656
0.00011764 -0.00003640 0.00009072
0.00896825 -0.00157753 -0.00402244
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06630493
0.32325979
430.72746815
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.121 s
total exchange = -52.3496279086 (a.u.)
total exchange computation time: 3.2892730236 s
-154.1099845726
-931.38839040
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.121 s
total exchange = -52.3497008258 (a.u.)
total exchange computation time: 3.2910540104 s
-154.1108857205
Anderson extrapolation: theta=1.3355172438 (1.3355172438)
-931.38865276
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.128 s
total exchange = -52.3497421904 (a.u.)
total exchange computation time: 3.2883601189 s
-154.1122893343
Anderson extrapolation: theta=0.0501744307 (0.0501744307)
-931.38880765
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.131 s
total exchange = -52.3496932007 (a.u.)
total exchange computation time: 3.2899780273 s
-154.1126267224
Anderson extrapolation: theta=1.8716908362 (1.8716908362)
-931.38881331
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.124 s
total exchange = -52.3495777690 (a.u.)
total exchange computation time: 3.2908689976 s
-154.1133463286
Anderson extrapolation: theta=0.2174369633 (0.2174369633)
-931.38881920
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.132 s
total exchange = -52.3495420318 (a.u.)
total exchange computation time: 3.2898428440 s
-154.1135104438
Anderson extrapolation: theta=1.8813964567 (1.8813964567)
-931.38882036
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.121 s
total exchange = -52.3494852286 (a.u.)
total exchange computation time: 3.2883479595 s
-154.1137015338
Anderson extrapolation: theta=0.2892895626 (0.2892895626)
-931.38882191
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.125 s
total exchange = -52.3494808369 (a.u.)
total exchange computation time: 3.2921810150 s
-154.1136401773
Anderson extrapolation: theta=1.2936666551 (1.2936666551)
-931.38882230
282.706906 30.350138 158.014048
-142.678654 489.824482 -806.201138
140.028253 520.174619 -648.187090
842.814363
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.130 s
total exchange = -52.3494850322 (a.u.)
total exchange computation time: 3.3228459358 s
678.56201834
-1082.82902169
89.73716698
-389.75180016
-174.75770105
77.79393068
551.60419304
0.00000000
-931.38882262
-8.68049961 -3.96890095 3.65542872
0.00027957 -0.00004726 0.00008269
-0.07986243 0.02880475 0.01705216
-17.79420300 4.31749646 6.44906595
0.00024572 -0.00019309 -0.00012017
0.02131888 -0.00555878 -0.02626846
-15.53941736 -0.91101022 0.33575242
0.00021375 -0.00005638 -0.00012279
0.05392367 0.05745323 0.05272669
3.07958604 -20.56155215 15.47976489
-0.00030962 0.00000123 -0.00016793
-0.00064291 -0.04008421 -0.00549293
7.76833032 16.01311367 -1.26594992
0.00036682 -0.00001454 0.00011295
-0.00746969 -0.00823613 0.01245289
-9.94572424 9.43859738 11.02358676
-0.00027298 -0.00003291 -0.00013247
-0.00574402 0.00273660 -0.00118218
-8.34150712 -0.42343794 -14.32148473
-0.00003483 0.00014767 -0.00005983
-0.02035717 -0.01218781 -0.03463940
-10.79171246 2.38948342 -6.96483891
-0.00005882 0.00000855 0.00012480
-0.02347613 -0.05426368 -0.02068182
-0.39518542 -5.72610812 15.42859876
-0.00023558 0.00004336 0.00024189
-0.01443804 -0.00516192 -0.00830009
-25.76800610 -0.73526499 -20.67039520
-0.00028548 -0.00006000 0.00009815
0.01038368 -0.01289722 0.01774090
8.87921650 7.49915536 7.83322960
0.00001988 -0.00006844 -0.00016607
0.01306983 -0.00288593 -0.01173158
20.86344838 28.57410155 -5.04362684
0.00017898 -0.00027897 0.00004572
-0.00144931 -0.00134212 0.01738000
7.69571230 -1.55471569 -7.26958613
-0.00020578 0.00007675 -0.00008775
0.00649972 0.02287066 -0.00227020
-9.23305425 -3.45661664 13.55817530
0.00019537 0.00005671 0.00004615
0.03528486 -0.01926892 0.00124742
-1.25746367 -22.68731998 14.05765018
0.00012760 0.00015979 0.00029582
0.02109281 -0.01222281 0.00662667
-10.99617394 -8.64952006 -8.06652470
0.00019984 0.00010888 0.00015988
-0.02254705 -0.06936950 0.01389272
-15.90952043 -8.59231981 -15.51843612
-0.00005479 0.00004913 -0.00005035
-0.01215823 -0.01399341 -0.00450497
16.92516727 12.77718703 3.60506198
0.00045313 0.00019548 -0.00003685
-0.00226577 0.00906162 -0.01972115
20.08536869 -4.62386767 -14.79478809
-0.00024299 -0.00004764 -0.00015548
0.02657466 0.03430377 -0.01627242
-0.32488951 8.13949798 -14.91046577
0.00021411 -0.00015944 -0.00002892
-0.00760752 -0.03719492 -0.01715963
0.60529990 -0.47883287 -17.00500457
-0.00024961 0.00052551 -0.00012809
-0.02289715 0.00452772 0.00328129
11.98780322 20.87026733 -23.18508847
0.00056309 -0.00028834 0.00002997
0.00429699 -0.02574395 -0.00538395
-11.34126577 15.19632359 -16.30369314
-0.00010718 -0.00019039 -0.00010126
-0.01508030 -0.02351561 -0.01373311
4.65734382 17.67796884 10.59434813
0.00037739 0.00011084 -0.00045431
-0.02178087 0.02002398 0.00653107
-2.16534072 -11.09362141 -3.54527658
0.00019737 -0.00009901 -0.00000824
-0.03341195 0.01049274 0.00969968
1.32220115 -8.13679801 3.91490131
0.00022483 0.00005703 0.00045840
0.03961475 -0.00657378 0.01636804
9.56811751 2.12881946 8.28463651
-0.00014248 0.00027495 0.00009364
-0.01200787 0.01365013 -0.00325384
-6.95412292 -9.09317222 -3.08604985
-0.00003452 0.00047106 -0.00012418
-0.00880139 -0.01904503 0.02359653
3.82793054 -12.23037339 -13.16424650
-0.00011655 0.00015424 -0.00021902
0.00829042 -0.00541857 0.00549689
1.25673757 -4.50699706 -0.85607858
0.00005281 0.00007415 0.00021391
0.00156987 -0.03595936 0.02897273
17.22839575 4.53609592 27.01978207
0.00038224 -0.00001254 -0.00018483
-0.00746335 -0.02276119 0.02783019
-9.75530691 6.05391435 -4.23912927
-0.00030269 -0.00006578 0.00058421
0.00070160 0.03951246 0.01973391
-4.74383420 14.93832825 -9.34328886
0.00030482 0.00000706 -0.00015303
0.00022069 -0.00036905 0.00241703
2.91408761 12.24445724 -6.91083594
-0.00028923 0.00017370 -0.00003923
-0.00419650 0.01472863 -0.00432455
-4.07596993 11.98938808 -13.71541269
0.00016055 0.00024368 0.00011742
-0.03033712 0.03764779 0.00676341
3.85155912 7.32720121 17.29092076
-0.00005772 0.00009050 0.00003042
-0.00252661 -0.00995174 0.03649611
-15.55876528 8.64966434 -9.13230466
-0.00021514 -0.00010723 -0.00006708
0.06347504 -0.00263866 0.01249321
3.75822085 9.22884607 0.60505149
0.00011553 0.00028719 0.00021299
0.04933054 0.02542965 0.00424280
15.88229146 -24.07627751 -26.69112429
0.00006890 -0.00017896 -0.00013476
-0.00702104 -0.00810363 -0.00103276
5.65599293 4.14337659 0.28936183
-0.00022851 -0.00010231 0.00022538
-0.02155885 0.01777451 0.01298235
17.30269466 -5.32742578 0.17824948
0.00021338 -0.00012176 -0.00024687
-0.00806786 0.00646989 -0.02130392
-4.80715021 2.40924465 -2.33605779
-0.00016549 0.00007829 0.00039313
0.07682651 0.01042125 -0.00461699
0.74504778 2.54845840 -11.90694084
-0.00013933 0.00022395 -0.00008572
0.02813749 0.04960615 -0.05252780
15.40835017 8.84451899 -7.21514470
0.00005159 0.00002275 0.00036907
-0.01205112 -0.01746855 -0.00398200
-6.56111046 1.07086426 12.84555383
-0.00032218 0.00016934 -0.00000744
0.02403708 -0.00729369 -0.04744623
-3.59680478 -16.21908998 12.88980173
-0.00006996 0.00016462 -0.00010598
-0.01039950 0.00895466 -0.01958212
6.97016532 -6.70020362 -6.34141159
-0.00022555 0.00041949 -0.00019237
0.00954247 0.00351421 -0.01506491
-1.12092451 -11.68997768 1.25787340
-0.00012713 -0.00019882 -0.00042342
-0.01930770 0.02088018 0.01065587
-16.00215524 -1.80546131 5.55922151
0.00037800 -0.00003432 0.00045345
0.00398843 0.00282173 -0.01440083
-9.25386484 3.39028984 -22.20090864
-0.00013242 -0.00013334 -0.00016914
-0.00000486 0.01313664 -0.00631586
1.95500751 1.10148324 -1.40800679
-0.00022225 -0.00005620 -0.00021398
-0.02879956 -0.00038718 0.04165857
12.55412155 8.40029710 3.74625084
0.00019029 -0.00028939 -0.00013548
-0.02020349 0.00448431 -0.03955019
-7.20124130 -4.47598932 2.95005291
0.00021774 0.00004153 -0.00006702
0.05906581 -0.01397498 -0.04788253
-10.06232056 -3.83367943 2.35238419
0.00057358 0.00052454 -0.00023548
0.03602975 0.00791116 0.00998093
-16.38678571 5.48114129 6.73966913
-0.00031637 -0.00087592 -0.00014850
-0.00606440 0.00220783 0.00554517
-17.31256424 3.63936957 4.75856313
-0.00048992 -0.00009614 -0.00076737
-0.01231089 0.00557951 0.02271228
-16.01633966 0.96399823 0.58327917
0.00063547 -0.00011431 -0.00035690
0.00284436 -0.03784395 -0.01630811
-16.66727274 -1.86194452 -0.54364225
-0.00049927 -0.00013999 -0.00121808
-0.05235622 -0.02046579 -0.03435023
1.33304318 -21.19339530 15.06036447
-0.00071287 0.00084123 0.00065925
0.01303969 0.02594024 0.00749607
3.30271807 -18.87389065 16.06021121
-0.00078172 0.00020844 0.00005876
-0.01015041 0.01457582 -0.00126061
8.05814703 14.14745777 -1.24309674
-0.00002891 0.00004834 -0.00001970
0.00097841 0.01293249 0.00574343
6.89924685 16.41429845 0.32944577
-0.00104513 0.00031664 0.00001158
0.01011191 -0.00597773 -0.01858433
-8.75128391 9.21000051 12.44201556
-0.00078207 -0.00141083 -0.00001483
-0.00424834 -0.00184586 0.00107961
-10.84363727 10.99594037 11.41352128
0.00029695 -0.00082341 -0.00033854
0.01087000 -0.00134498 0.00326609
-10.08550158 0.40467823 -14.47842590
-0.00064413 0.00025113 0.00014468
0.03031439 -0.01533581 0.00384502
-8.18431282 -1.60115962 -15.85689577
-0.00048252 0.00091262 -0.00147688
-0.00738925 0.02832193 0.03330854
-12.08547328 0.97955106 -6.87052931
0.00018763 -0.00029601 0.00027562
0.01953117 0.02853884 0.00030050
-11.19348179 3.70986596 -5.81399394
0.00056902 -0.00021313 -0.00059807
-0.00060733 0.01001802 0.01046562
-2.00180897 -6.48248960 14.75268624
-0.00008055 -0.00011105 0.00024147
0.01259844 0.01125274 0.00553303
-0.47912074 -5.75017319 17.25174183
-0.00021867 -0.00050894 0.00121627
-0.00090913 -0.00311158 0.00275928
-24.48558818 -0.29968784 -19.44062368
0.00136744 0.00039854 -0.00073397
0.00387184 -0.00207499 0.00180837
-25.78240855 0.53273940 -21.94305094
-0.00086410 -0.00100819 -0.00069024
-0.00684851 0.02199508 -0.02038664
9.76160131 8.02135332 6.26470212
0.00081347 -0.00141872 0.00023600
-0.00032552 -0.00311451 0.01868704
10.06471962 7.97277124 9.22535873
0.00025041 0.00026341 -0.00036239
-0.00383213 -0.00156315 -0.01415721
19.87672468 27.57681755 -3.81791549
0.00041104 0.00042353 0.00006728
0.00642767 0.00843795 -0.00738535
20.44686220 30.41378139 -4.72135486
0.00042569 -0.00085305 -0.00056008
-0.00112510 -0.01253341 0.00410278
5.96260439 -0.94514016 -7.32541512
0.00099479 -0.00042280 -0.00050490
0.00462109 0.00036966 0.00230854
7.67155001 -3.33600273 -7.03873156
0.00001228 -0.00015066 0.00027357
-0.01370009 -0.01599290 0.00094270
-8.49998483 -2.23594861 12.39551211
0.00009645 -0.00075440 0.00087707
-0.01134827 -0.00057496 0.00048035
-11.00859985 -3.48974051 13.53717036
0.00003821 0.00010199 0.00051143
-0.02368641 0.01769364 -0.00779765
-0.91985518 -24.35258657 14.82992766
0.00037189 -0.00084164 -0.00081092
-0.00952374 0.00251069 -0.00867843
-2.99173216 -22.24975342 14.32314431
-0.00033771 -0.00037772 0.00050736
-0.01385404 -0.00059716 -0.00192995
-12.66838803 -8.25134133 -7.40472675
-0.00005001 -0.00010135 -0.00058043
-0.00838107 -0.00463692 0.01069580
-10.49257214 -7.06640702 -8.42072036
-0.00065359 -0.00064389 0.00196077
0.03758039 0.07209757 -0.02308700
-16.09594462 -10.42665802 -15.74868678
0.00031840 -0.00127819 0.00076299
0.00601304 0.01464425 0.00783288
-14.26014544 -8.04782980 -16.17831270
-0.00002577 0.00036217 0.00013544
0.00072926 -0.00179693 -0.00058237
17.37621564 12.89880378 5.37719909
0.00004347 -0.00012940 0.00023740
-0.00239265 0.00025431 0.00499727
17.03737625 14.45343180 2.79284333
-0.00035839 -0.00001027 0.00009739
0.00389953 -0.01631038 0.00618821
18.28567693 -4.60282469 -14.91315391
-0.00030010 -0.00072948 0.00040924
-0.00586201 0.00558547 -0.00038573
20.75011588 -2.88978498 -15.43127764
-0.00005644 0.00007352 -0.00016234
-0.01665049 -0.04294886 0.01185692
-0.40517957 6.66292087 -13.76167260
0.00140258 -0.00053623 -0.00050735
-0.00414811 0.01417379 -0.00955395
-0.32657512 7.30564148 -16.61302507
-0.00082845 0.00089219 -0.00062065
-0.00084272 0.01768103 0.02676728
0.62749609 0.67965973 -15.59812788
-0.00057282 0.00037419 -0.00017947
-0.00385706 0.01158802 0.00770056
2.29276254 -1.07902239 -16.97639077
0.00028072 -0.00054989 0.00047611
0.02552434 -0.01112394 -0.00532385
12.49072378 22.39003793 -22.31304541
-0.00079443 -0.00106562 -0.00098715
-0.00626472 0.01264951 -0.00003176
10.16816824 20.89942304 -23.37328834
-0.00018289 0.00003546 -0.00011659
-0.00190060 0.00487370 0.00333893
-10.10731562 16.03331545 -17.40074171
-0.00118066 -0.00037567 0.00045434
0.00049957 0.00048065 0.00377145
-10.90445876 15.74680561 -14.68403709
-0.00029648 0.00071689 -0.00039348
0.00507913 0.00875454 0.02751016
3.38933771 18.75267232 11.47802444
-0.00029994 0.00044265 0.00100746
0.01963396 -0.01939774 -0.01385315
4.74373830 18.39723163 8.89358007
0.00025296 0.00005541 -0.00079684
0.00297666 -0.00695373 0.00577839
-3.96195686 -10.49612185 -3.28974480
-0.00110725 0.00040856 0.00014921
0.02753453 -0.00538805 -0.01885880
-1.75452822 -11.27781698 -1.72695553
-0.00152682 0.00072993 -0.00029740
0.01231654 -0.00424263 -0.00257532
0.07191136 -7.46454531 5.02844023
-0.00031408 -0.00009479 -0.00006030
-0.01109391 0.01128666 0.00954223
2.83644434 -8.47102032 5.08214447
0.00016918 0.00006481 -0.00007885
-0.02379545 0.00954221 -0.02663531
7.76525203 1.88562189 8.55880130
-0.00031026 0.00017367 -0.00093277
0.00876146 0.00423818 0.00275405
9.70727308 3.98781514 8.02325277
-0.00018041 0.00123587 0.00110481
-0.00307268 -0.01147976 0.00176254
-8.20167725 -8.50951757 -4.21425438
-0.00058110 -0.00000177 0.00077836
-0.01481056 0.01461549 -0.02520181
-8.04408900 -10.19557917 -2.06377230
-0.00087641 -0.00010738 -0.00029092
0.00846791 0.00498550 0.00199892
4.68848876 -13.47523761 -12.12812793
-0.00023054 0.00084007 -0.00065807
-0.00038408 0.00191301 -0.00294349
2.37609842 -13.07917548 -13.88486504
-0.00038074 0.00057733 -0.00039518
-0.00872916 -0.00032649 -0.00640924
1.38705175 -5.91528410 0.45344920
0.00060434 0.00010724 0.00042057
0.00182545 0.02803808 -0.02600086
-0.33231571 -3.79012363 -0.33879453
-0.00035973 0.00003477 -0.00036877
-0.00348732 0.00360945 -0.00029995
17.38409754 3.27885614 25.69598082
-0.00028546 -0.00009251 0.00004417
-0.00228741 0.00110840 0.00596789
16.67482088 3.53284842 28.55073923
0.00020751 0.00086504 -0.00063953
0.00958271 0.01852544 -0.03458236
-10.69948076 7.46825827 -3.43321906
0.00028365 0.00138390 0.00067325
0.00459575 -0.01164530 -0.00809418
-8.31465069 6.94133329 -5.11163146
-0.00002958 0.00052128 0.00020167
-0.01324907 -0.00725267 -0.00002912
-6.27323461 15.91117670 -9.08780708
0.00037337 -0.00002867 -0.00009104
0.00406437 -0.00144712 -0.00771795
-4.58538546 14.41917910 -11.11830412
0.00067504 0.00002044 -0.00004233
-0.00107739 0.00194745 0.01038625
2.73193413 11.03619284 -5.55549159
0.00014482 0.00064374 -0.00052381
0.00004464 -0.00545375 -0.00217493
1.38210969 13.28858931 -6.97571491
0.00063729 0.00024574 0.00031786
0.00653466 -0.00161748 0.00589380
-2.58890260 11.14240622 -14.07619254
0.00006469 -0.00060117 0.00056519
0.04417265 -0.02755110 -0.00826195
-5.18942315 10.72189664 -13.11858452
0.00046699 0.00029711 0.00000079
-0.01453444 -0.01360115 0.00482124
4.71283285 7.34462759 18.96801002
0.00048291 -0.00074603 -0.00062964
-0.01019977 0.00235266 -0.01995241
2.11307828 6.74396394 17.73933447
0.00035848 -0.00015414 0.00006949
0.00955637 0.00850741 -0.01102960
-13.65879734 8.39630242 -8.94816981
-0.00107244 -0.00075957 -0.00021344
-0.03722987 0.00340196 -0.01569410
-16.00354345 8.41910790 -7.37920561
0.00028691 -0.00033138 0.00049004
-0.02012819 -0.00444561 0.00395040
5.27401503 10.43181899 0.75978482
0.00024014 -0.00144075 0.00016497
-0.03234360 -0.03222142 -0.00800247
2.29524099 10.28030239 0.70167395
-0.00004279 -0.00114915 -0.00112632
-0.00844858 -0.00377426 0.00311775
14.37007695 -23.75961264 -25.61329787
-0.00009186 -0.00013580 -0.00005786
0.00632249 -0.00602724 -0.00809597
15.23234679 -24.90433313 -28.21822149
0.00046414 -0.00079928 0.00125026
-0.00167174 0.00984757 0.01357462
3.86465401 3.83747724 -0.22829133
-0.00033732 0.00098870 0.00160081
0.02055112 0.00015056 0.00524177
5.62206646 5.78266120 1.21873191
0.00065356 0.00003618 0.00082875
-0.00200800 -0.01996740 -0.01724249
17.90268296 -3.65547954 -0.42505652
0.00087423 0.00003638 0.00069794
-0.01219883 -0.01678083 0.01591419
16.08979630 -5.88669665 -1.12714207
-0.00051556 0.00065234 -0.00101519
0.01624272 0.00099641 0.01101663
-6.42046167 2.78038357 -1.83686104
0.00065043 -0.00037715 -0.00015443
-0.05948332 0.01367123 0.02220949
-4.92720630 1.36393154 -3.78167425
-0.00015204 -0.00002074 0.00027712
-0.00615626 -0.01841290 -0.01539334
2.54773686 2.96744389 -11.78294534
0.00019266 0.00047878 -0.00136991
-0.01942111 -0.00804254 0.00074503
0.35921121 1.25399426 -10.82592346
-0.00044824 -0.00127766 -0.00064189
-0.01193161 -0.04144640 0.04066287
16.93911919 7.92268777 -8.00013790
-0.00116012 -0.00013758 -0.00064445
-0.00423935 0.01447715 0.00589014
15.45394521 10.53006093 -6.55378767
-0.00097050 -0.00062816 0.00075591
0.01824967 0.00214190 -0.00387474
-7.31854546 0.99746616 11.12691082
-0.00034592 0.00123818 0.00030476
0.01423731 0.00055385 0.01354914
-7.97018077 1.28484789 13.91441608
-0.00035462 -0.00008464 0.00093236
-0.03183995 0.01575060 0.02724059
-2.52965929 -16.72200268 14.28004017
-0.00057661 -0.00019795 0.00109100
0.00875143 0.00065944 0.01054969
-4.68713158 -17.61694369 12.46671644
-0.00050509 -0.00173884 0.00019903
-0.00075514 -0.00808082 0.00183684
7.19628341 -6.12335506 -4.61515543
0.00086688 -0.00028738 -0.00063712
-0.00696979 -0.00696255 0.01438850
5.49244295 -7.78620991 -6.46940227
-0.00034713 0.00022834 -0.00009919
-0.01124117 -0.00060435 0.01478253
-2.86550796 -11.48686921 1.95649799
-0.00012151 -0.00008394 -0.00048298
0.01731175 0.00065653 -0.00255308
-0.33658512 -10.07270620 1.86149547
0.00013015 0.00019251 -0.00038331
-0.00689547 -0.01933901 0.00371449
-14.68803281 -0.72588444 6.26068845
-0.00054242 -0.00013014 0.00009562
-0.00445770 -0.00615462 -0.00707085
-15.68525100 -1.78650963 3.68461729
0.00058173 0.00062680 0.00108357
-0.00322883 0.00244623 0.01737987
-9.56163736 4.52654950 -23.70243069
-0.00007010 -0.00056201 -0.00019336
0.00208215 -0.01002075 0.01481870
-9.00615180 4.42632047 -20.72068005
-0.00025533 -0.00018710 -0.00149184
-0.00096512 0.00494490 0.00008281
2.18538035 0.69200481 -3.16190725
-0.00037476 -0.00129087 0.00088649
-0.00942269 -0.00798399 -0.00800088
0.49713374 0.26993371 -0.47648482
-0.00035563 -0.00045125 -0.00074912
0.03686539 0.01549142 -0.03669684
14.07947346 9.31755500 3.31267966
-0.00055080 -0.00022911 -0.00005771
-0.00116416 0.00064762 0.01012142
11.44784657 8.81824362 2.21997851
0.00018274 0.00009087 -0.00093278
0.01606956 -0.00413527 0.02809829
5.38546560 -9.28469763 -10.56270964
-0.00007919 -0.00011611 -0.00004295
-0.00114934 0.00862963 -0.01073483
-12.96824411 10.39725994 21.28888029
0.00011975 -0.00003678 0.00008977
0.00920831 -0.00169002 -0.00414233
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06630731
0.32251531
429.73548421
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.130 s
total exchange = -52.3544293773 (a.u.)
total exchange computation time: 3.3350582123 s
-154.1336629697
-931.38766015
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.126 s
total exchange = -52.3544514809 (a.u.)
total exchange computation time: 3.3354251385 s
-154.1349278072
Anderson extrapolation: theta=1.3335415260 (1.3335415260)
-931.38792628
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.130 s
total exchange = -52.3544236309 (a.u.)
total exchange computation time: 3.3351719379 s
-154.1368063776
Anderson extrapolation: theta=0.0498901750 (0.0498901750)
-931.38808308
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.125 s
total exchange = -52.3543698694 (a.u.)
total exchange computation time: 3.3347899914 s
-154.1371636647
Anderson extrapolation: theta=1.8592870923 (1.8592870923)
-931.38808874
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.123 s
total exchange = -52.3542448973 (a.u.)
total exchange computation time: 3.3366479874 s
-154.1379190169
Anderson extrapolation: theta=0.2155839543 (0.2155839543)
-931.38809452
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.126 s
total exchange = -52.3542061581 (a.u.)
total exchange computation time: 3.3345100880 s
-154.1380928145
Anderson extrapolation: theta=1.8797743726 (1.8797743726)
-931.38809563
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.121 s
total exchange = -52.3541430667 (a.u.)
total exchange computation time: 3.3374910355 s
-154.1383040500
Anderson extrapolation: theta=0.2877928976 (0.2877928976)
-931.38809710
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.121 s
total exchange = -52.3541364978 (a.u.)
total exchange computation time: 3.3369250298 s
-154.1382492214
Anderson extrapolation: theta=1.2901403873 (1.2901403873)
-931.38809747
238.295956 30.263173 158.041756
-142.727792 489.799397 -806.233535
95.568164 520.062570 -648.191779
836.511167
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.126 s
total exchange = -52.3541378006 (a.u.)
total exchange computation time: 3.3365499973 s
678.63269285
-1082.98506793
89.73256447
-389.64463414
-174.76951523
77.88038586
551.60419304
0.00000000
-931.38809777
-8.67661417 -3.96949873 3.65673479
0.00023890 -0.00003251 0.00009123
-0.07827042 0.02854616 0.01618330
-17.79043501 4.31457871 6.44716203
0.00025549 -0.00019713 -0.00013435
0.01666733 -0.01017385 -0.02885285
-15.53600309 -0.91163433 0.33411397
0.00023937 -0.00002908 -0.00009750
0.04569292 0.04870009 0.04560893
3.07493930 -20.56168837 15.47722478
-0.00030991 -0.00001853 -0.00017051
-0.00050698 -0.03674677 -0.00454816
7.77380383 16.01286374 -1.26420768
0.00036241 -0.00001828 0.00012011
-0.00967074 -0.00629196 0.01541899
-9.94984107 9.43811429 11.02159516
-0.00027504 -0.00003323 -0.00013354
-0.00225732 -0.00397917 -0.00297683
-8.34210813 -0.42126994 -14.32251586
-0.00004598 0.00014135 -0.00007838
-0.02298232 -0.01236059 -0.03749705
-10.79268530 2.38940241 -6.96304665
-0.00007037 -0.00002055 0.00011313
-0.02144943 -0.05890343 -0.02472249
-0.39877485 -5.72547760 15.43219513
-0.00024288 0.00004078 0.00023958
-0.01393381 -0.00486242 -0.00067685
-25.77224822 -0.73621481 -20.66885459
-0.00027915 -0.00006646 0.00010822
0.01421598 -0.01220450 0.02144588
8.87956508 7.49811757 7.83069333
0.00002658 -0.00007010 -0.00017150
0.01299887 -0.00356765 -0.00940785
20.86612744 28.56991177 -5.04287406
0.00017880 -0.00028007 0.00005396
0.00076709 -0.00290843 0.01468378
7.69265070 -1.55347616 -7.27091112
-0.00020001 0.00008701 -0.00008872
0.01594343 0.01699189 -0.00150731
-9.22998757 -3.45584031 13.55887231
0.00021214 0.00004530 0.00004825
0.02993451 -0.02510864 0.00691904
-1.25546831 -22.68497029 14.06211299
0.00013773 0.00015302 0.00029953
0.01830819 -0.01410405 0.00780114
-10.99326330 -8.64815439 -8.06407291
0.00018712 0.00007001 0.00016758
-0.02694049 -0.08181555 0.01603015
-15.91038924 -8.59163681 -15.51920873
-0.00006116 0.00004015 -0.00005282
-0.01260914 -0.02095402 -0.00509214
16.93195542 12.78015420 3.60443319
0.00045194 0.00019956 -0.00004650
-0.00236208 0.00679676 -0.01782131
20.08182640 -4.62444988 -14.79718307
-0.00022920 -0.00003007 -0.00016382
0.02703952 0.03400114 -0.01614022
-0.32170719 8.13696283 -14.91096583
0.00021020 -0.00017830 -0.00003788
-0.00761503 -0.03611708 -0.01765480
0.60146741 -0.47093270 -17.00691321
-0.00025953 0.00052692 -0.00012668
-0.01568276 0.00095892 0.00217659
11.99626609 20.86584297 -23.18465971
0.00056282 -0.00030380 0.00002568
-0.00533949 -0.03437917 -0.01128949
-11.34293169 15.19337711 -16.30526507
-0.00011598 -0.00020320 -0.00010708
-0.01914480 -0.02630416 -0.00886794
4.66292069 17.67970867 10.58755863
0.00036503 0.00012217 -0.00045023
-0.02629781 0.02402916 0.00933671
-2.16250905 -11.09506603 -3.54536272
0.00017796 -0.00009276 -0.00000399
-0.04207253 0.01379539 0.00682019
1.32572644 -8.13596797 3.92184045
0.00024464 0.00005373 0.00046626
0.03740818 -0.00625216 0.01418310
9.56593405 2.13299643 8.28602860
-0.00014858 0.00028311 0.00009188
-0.01173918 0.01806819 -0.00360081
-6.95467467 -9.08617982 -3.08782159
-0.00003958 0.00046021 -0.00011099
-0.01089154 -0.02313837 0.02771050
3.82621431 -12.22808063 -13.16751062
-0.00011301 0.00015251 -0.00021709
0.00544710 -0.00133418 0.00201418
1.25753575 -4.50602351 -0.85275818
0.00005344 0.00005581 0.00022883
0.00088455 -0.03537521 0.02905657
17.23410054 4.53581997 27.01711697
0.00037872 -0.00002337 -0.00017130
-0.00622579 -0.01933065 0.02479677
-9.75984459 6.05308005 -4.23028999
-0.00030215 -0.00004387 0.00059426
0.00141447 0.04569125 0.01933301
-4.73926099 14.93843266 -9.34557506
0.00030511 0.00000684 -0.00015157
0.00089347 -0.00045164 0.00327205
2.90973296 12.24711951 -6.91144104
-0.00029006 0.00018150 -0.00004245
0.00096494 0.01560259 -0.00818741
-4.07367876 11.99318848 -13.71362533
0.00014610 0.00026277 0.00012049
-0.02582163 0.03660486 0.00519397
3.85068361 7.32852032 17.29151780
-0.00005876 0.00008549 0.00004850
-0.00152807 -0.00953823 0.03381578
-15.56174758 8.64804578 -9.13326264
-0.00018384 -0.00010862 -0.00005980
0.05826398 -0.00276901 0.01581700
3.76014408 9.23325201 0.60826273
0.00014126 0.00029789 0.00021498
0.05071560 0.01618151 0.00349356
15.88329789 -24.07899322 -26.69314971
0.00006563 -0.00018228 -0.00013360
-0.00568180 -0.00480469 0.00555505
5.65248214 4.14191048 0.29279255
-0.00023900 -0.00009246 0.00023268
-0.01925668 0.02054734 0.01542523
17.30586428 -5.32922724 0.17446431
0.00020848 -0.00011880 -0.00025861
-0.01098846 0.00502967 -0.02436981
-4.80933625 2.41045927 -2.33017859
-0.00012385 0.00008276 0.00038961
0.08509592 0.00694707 -0.00907196
0.74306642 2.55200898 -11.90842925
-0.00012528 0.00024787 -0.00011127
0.02648572 0.04341554 -0.04685069
15.40907757 8.84479287 -7.20962405
0.00004445 0.00001289 0.00036690
-0.01570193 -0.02087651 -0.00443213
-6.56585046 1.07337625 12.84525925
-0.00031056 0.00016593 -0.00003041
0.02116288 -0.00595823 -0.04187034
-3.59789433 -16.21658616 12.88813655
-0.00007645 0.00016628 -0.00011563
-0.01481243 -0.00247951 -0.01797033
6.96681886 -6.69389767 -6.34435530
-0.00022100 0.00042079 -0.00020105
0.00817134 0.00153031 -0.01868238
-1.12290591 -11.69287942 1.25156321
-0.00013667 -0.00018753 -0.00041766
-0.01778687 0.02301175 0.01173575
-15.99646992 -1.80596516 5.56596777
0.00037888 -0.00003368 0.00044610
-0.00054479 -0.00035744 -0.01419392
-9.25585117 3.38834037 -22.20347013
-0.00013273 -0.00012804 -0.00017393
-0.00120386 0.00749350 -0.01231445
1.95156273 1.10063876 -1.41105586
-0.00023742 -0.00005621 -0.00019133
-0.03019439 0.00034309 0.04644434
12.55689791 8.39597362 3.74406602
0.00017846 -0.00028741 -0.00015630
-0.02577354 0.00320605 -0.04138012
-7.19616527 -4.47579455 2.94758031
0.00045612 -0.00001440 -0.00026056
0.05762451 -0.01340526 -0.04685483
-10.05261283 -3.82556897 2.34915785
0.00072011 0.00055617 -0.00019419
0.03569916 0.00757439 0.01023171
-16.39171717 5.46807007 6.73761153
-0.00033161 -0.00085924 -0.00012458
-0.00139225 0.00595870 0.00616600
-17.32029030 3.63809851 4.74774862
-0.00054041 -0.00007163 -0.00067064
-0.01240336 0.00641823 0.02463670
-16.00672049 0.96112388 0.57742588
0.00064575 -0.00026636 -0.00042323
0.00218782 -0.03658439 -0.01615654
-16.67636612 -1.86467153 -0.56296604
-0.00069476 -0.00020808 -0.00134434
-0.04333752 -0.01286616 -0.02745605
1.32274965 -21.17998197 15.07048299
-0.00065963 0.00094480 0.00068868
0.01302550 0.02475574 0.00690985
3.29068119 -18.87031745 16.06105398
-0.00082242 0.00026336 0.00005260
-0.00977347 0.01230724 -0.00175710
8.05774343 14.14857913 -1.24321624
-0.00002499 0.00009976 0.00000457
0.00093657 0.01223727 0.00613573
6.88387972 16.41886482 0.32905001
-0.00099923 0.00028971 -0.00007112
0.01235972 -0.00720444 -0.02189855
-8.76314517 9.18878144 12.44182624
-0.00079926 -0.00141674 -0.00001019
-0.00416518 -0.00104652 0.00119081
-10.83884992 10.98354795 11.40854333
0.00033453 -0.00081629 -0.00032171
0.00752583 0.00483072 0.00496913
-10.09423466 0.40797525 -14.47613788
-0.00051569 0.00018713 0.00016114
0.03256182 -0.01599329 0.00421111
-8.19177699 -1.58660247 -15.87802830
-0.00051180 0.00102981 -0.00133588
-0.00694639 0.02904309 0.03571193
-12.08206029 0.97598550 -6.86638587
0.00026660 -0.00017867 0.00027710
0.01912237 0.02889935 0.00042757
-11.18496512 3.70697607 -5.82264422
0.00056285 -0.00016307 -0.00054665
-0.00241265 0.01448354 0.01470174
-2.00263120 -6.48381056 14.75647788
-0.00003041 -0.00006584 0.00026357
0.01194478 0.01087723 0.00528471
-0.48242864 -5.75790260 17.27007046
-0.00022176 -0.00052110 0.00121226
-0.00060614 -0.00284159 -0.00472472
-24.46495798 -0.29377334 -19.45157786
0.00137541 0.00038780 -0.00073343
0.00002948 -0.00317972 -0.00154263
-25.79557993 0.51829052 -21.95402929
-0.00089181 -0.00091733 -0.00077369
-0.00671437 0.02248084 -0.02046058
9.77379338 7.99997706 6.26881479
0.00081336 -0.00142948 0.00030685
0.00026947 -0.00215309 0.01599358
10.06835836 7.97667446 9.21948907
0.00023396 0.00025671 -0.00041930
-0.00422291 -0.00171685 -0.01370206
19.88308721 27.58342912 -3.81713265
0.00043384 0.00045399 0.00004162
0.00473422 0.00647013 -0.00517472
20.45321306 30.40060162 -4.72963036
0.00041969 -0.00089735 -0.00054219
-0.00181367 -0.00915260 0.00465319
5.97766789 -0.95147085 -7.33291788
0.00099476 -0.00041476 -0.00049620
-0.00463766 0.00356756 0.00194866
7.67131442 -3.33875271 -7.03459909
-0.00004378 -0.00021051 0.00027653
-0.01374481 -0.01330178 0.00050514
-8.49888577 -2.24728224 12.40868294
0.00005624 -0.00074498 0.00086795
-0.00833888 0.00518520 -0.00494485
-11.00875252 -3.48766849 13.54460285
-0.00005397 0.00017456 0.00047895
-0.02143731 0.01783151 -0.00810242
-0.91456869 -24.36513430 14.81749793
0.00033197 -0.00082607 -0.00084778
-0.01001722 0.00511541 -0.00936344
-2.99722233 -22.25543747 14.33069557
-0.00038823 -0.00038195 0.00049824
-0.01087719 -0.00147562 -0.00253438
-12.66939498 -8.25300360 -7.41310546
-0.00008561 -0.00012227 -0.00053631
-0.00904497 -0.00560472 0.01090385
-10.50122444 -7.07385604 -8.39201626
-0.00048990 -0.00032206 0.00186186
0.04254915 0.08543758 -0.02533268
-16.09098433 -10.44538217 -15.73700183
0.00034433 -0.00120288 0.00079606
0.00668116 0.02222364 0.00835378
-14.26050964 -8.04245236 -16.17629898
-0.00002362 0.00035354 0.00013306
0.00032062 -0.00242787 -0.00058364
17.37679439 12.89687055 5.38091324
0.00003335 -0.00012787 0.00025533
-0.00256108 0.00049495 0.00377668
17.03211985 14.45277796 2.79449382
-0.00034180 -0.00007295 0.00012142
0.00422516 -0.01437331 0.00557314
18.28099583 -4.61359566 -14.90702718
-0.00032319 -0.00070539 0.00040728
-0.00543993 0.00620658 -0.00057295
20.74875901 -2.88999831 -15.43334943
-0.00012637 -0.00010226 -0.00011382
-0.01758153 -0.04309396 0.01189473
-0.38426804 6.65531170 -13.76957567
0.00138487 -0.00047957 -0.00054610
-0.00452037 0.01356474 -0.00941468
-0.33902776 7.31956620 -16.62151456
-0.00083143 0.00096342 -0.00051045
-0.00061195 0.01718334 0.02717325
0.61878554 0.68562771 -15.60058389
-0.00058787 0.00042260 -0.00014651
-0.00350717 0.01210891 0.00842906
2.29775544 -1.08761163 -16.96941233
0.00036957 -0.00058911 0.00045483
0.01797218 -0.00807588 -0.00509093
12.47861530 22.37444132 -22.32785367
-0.00081138 -0.00099445 -0.00097534
-0.00202872 0.02218440 0.00581453
10.16536664 20.90010422 -23.37493490
-0.00017988 0.00005340 -0.00010245
0.00337321 0.00391147 0.00358258
-10.12501017 16.02769509 -17.39381106
-0.00116883 -0.00036761 0.00045945
0.00528771 0.00346511 -0.00127115
-10.90875031 15.75782719 -14.68909626
-0.00027646 0.00075262 -0.00028136
0.00472185 0.00873722 0.02737069
3.38544030 18.75871762 11.49271177
-0.00020900 0.00035548 0.00094093
0.02487968 -0.02327080 -0.01871342
4.74762396 18.39784971 8.88180455
0.00026360 0.00002676 -0.00076869
0.00222783 -0.00707324 0.00800230
-3.97772192 -10.49015859 -3.28808453
-0.00098185 0.00038231 0.00006844
0.03385220 -0.00745886 -0.02068146
-1.77705305 -11.26699810 -1.73149551
-0.00147156 0.00071048 -0.00029973
0.01473214 -0.00527805 0.00143799
0.06686028 -7.46562123 5.02782809
-0.00035789 -0.00004925 -0.00002103
-0.01035154 0.01100334 0.00968137
2.83825284 -8.46975573 5.08014560
0.00007461 0.00010331 -0.00018390
-0.02249832 0.00930407 -0.02478794
7.76086663 1.88835687 8.54489421
-0.00027450 0.00019099 -0.00092135
0.00874331 0.00423867 0.00283470
9.70447271 4.00600144 8.03987898
-0.00019373 0.00117993 0.00111251
-0.00344711 -0.01590612 0.00200713
-8.21084765 -8.50909618 -4.20335118
-0.00064453 0.00006104 0.00067037
-0.01623660 0.01612612 -0.02766138
-8.05697561 -10.19703705 -2.06807484
-0.00083485 -0.00008216 -0.00028597
0.01187211 0.00735904 0.00042316
4.68501882 -13.46257789 -12.13808915
-0.00022746 0.00083899 -0.00066379
0.00189508 -0.00244398 0.00014223
2.37011978 -13.07052561 -13.89098920
-0.00041504 0.00057592 -0.00042065
-0.00805723 -0.00036175 -0.00605761
1.39617273 -5.91281625 0.45896099
0.00061016 0.00022271 0.00031421
0.00102662 0.02848331 -0.02606193
-0.33781851 -3.78949145 -0.34433531
-0.00037092 0.00004715 -0.00036998
-0.00199161 0.00244788 -0.00029091
17.37974548 3.27750249 25.69682627
-0.00029446 -0.00008957 0.00006644
-0.00211459 0.00032862 0.00493448
16.67822713 3.54639173 28.54008652
0.00024396 0.00093536 -0.00077249
0.00826237 0.01589479 -0.03049842
-10.69508524 7.48865989 -3.42336829
0.00030535 0.00132755 0.00063719
0.00603059 -0.01593768 -0.00955683
-8.31550041 6.94893021 -5.10860724
-0.00008762 0.00048720 0.00020384
-0.01515905 -0.00942958 0.00108785
-6.26750946 15.91070235 -9.08940918
0.00038890 -0.00003415 -0.00012296
0.00353541 -0.00123506 -0.00790830
-4.57529287 14.41954540 -11.11862074
0.00067016 0.00002822 -0.00000119
-0.00131146 0.00186029 0.00974986
2.73410777 11.04568187 -5.56341540
0.00014358 0.00061413 -0.00052422
-0.00065284 -0.00904250 0.00197373
1.39186934 13.29222577 -6.97076642
0.00065479 0.00024466 0.00034146
0.00202843 0.00109025 0.00566083
-2.58657862 11.13254437 -14.06796790
0.00024001 -0.00070961 0.00053249
0.04164816 -0.02553126 -0.00774191
-5.18286367 10.72593646 -13.11842489
0.00040365 0.00023929 0.00002233
-0.01647069 -0.01470216 0.00572131
4.71976388 7.33350916 18.95795408
0.00044293 -0.00073612 -0.00070657
-0.00936867 0.00250120 -0.01770618
2.11874825 6.74191259 17.74003879
0.00039429 -0.00012030 0.00002550
0.00797384 0.00805708 -0.01050176
-13.67602477 8.38501305 -8.95185239
-0.00121466 -0.00074631 -0.00027764
-0.03238914 0.00309274 -0.01573215
-15.99985663 8.41400092 -7.37173401
0.00020509 -0.00034844 0.00049925
-0.01992239 -0.00390142 0.00055787
5.27662610 10.40922035 0.76201421
0.00011318 -0.00156261 0.00013334
-0.02980632 -0.02742819 -0.00747991
2.29434028 10.26294947 0.68487471
-0.00008599 -0.00115506 -0.00111275
-0.01269752 0.00088339 0.00352384
14.36889275 -23.76183426 -25.61441378
-0.00006408 -0.00016054 -0.00009141
0.00727711 -0.00608372 -0.00832963
15.23925767 -24.91602063 -28.19905155
0.00045290 -0.00076530 0.00129274
-0.00383229 0.00678808 0.00721687
3.86022393 3.85231230 -0.20411851
-0.00025797 0.00098774 0.00161956
0.01829102 -0.00062135 0.00393357
5.63180828 5.78259199 1.23063482
0.00064562 -0.00004895 0.00075575
-0.00187531 -0.02170153 -0.01849378
17.91542267 -3.65544800 -0.41409981
0.00082356 -0.00003209 0.00076247
-0.01260612 -0.01673639 0.01567363
16.08256057 -5.87688094 -1.14203228
-0.00044237 0.00065952 -0.00096303
0.01958483 0.00251481 0.01451621
-6.41252802 2.77514521 -1.83849686
0.00038937 -0.00031687 -0.00005788
-0.06830578 0.01583775 0.02504923
-4.92967558 1.36305616 -3.77798922
-0.00017608 -0.00009371 0.00021683
-0.00561238 -0.01730361 -0.01411906
2.55003162 2.97437921 -11.80347110
0.00010983 0.00044317 -0.00136524
-0.02112272 -0.00938904 0.00153782
0.35212195 1.23355935 -10.83430574
-0.00049031 -0.00143156 -0.00048878
-0.00866262 -0.03388856 0.03428432
16.92158755 7.92106769 -8.00962414
-0.00117131 -0.00007980 -0.00062116
-0.00123854 0.01380670 0.00551097
15.43994686 10.52070423 -6.54256775
-0.00089442 -0.00061174 0.00074177
0.01899556 0.00589251 -0.00304909
-7.32329805 1.01605585 11.13189734
-0.00029029 0.00123930 0.00035667
0.01299670 -0.00000418 0.01186330
-7.97647568 1.28406093 13.92923629
-0.00047596 -0.00002175 0.00103587
-0.02756029 0.01503431 0.02342702
-2.53804032 -16.72495168 14.29672840
-0.00054645 -0.00019094 0.00112574
0.00601493 0.00277140 0.00645777
-4.69473114 -17.64327384 12.46975823
-0.00049434 -0.00175262 0.00021147
0.00601818 0.00133230 0.00424951
7.20907298 -6.12787907 -4.62427132
0.00083851 -0.00031396 -0.00057153
-0.00691754 -0.00604888 0.01771780
5.48689155 -7.78280336 -6.47043714
-0.00039042 0.00022777 -0.00003816
-0.00994861 0.00032413 0.01509276
-2.86680011 -11.48810826 1.94917504
-0.00005104 -0.00008108 -0.00049280
0.01718235 0.00074470 -0.00225306
-0.33484414 -10.07041117 1.85585966
0.00009994 0.00010911 -0.00036949
-0.00789532 -0.02148474 0.00305013
-14.69630571 -0.72802510 6.26190606
-0.00055138 -0.00014767 0.00007334
0.00007121 -0.00242769 -0.00383597
-15.67662396 -1.77703268 3.70140348
0.00056828 0.00063513 0.00114738
-0.00335452 0.00163142 0.01385582
-9.56262500 4.51781234 -23.70487696
-0.00006219 -0.00060107 -0.00013545
0.00179004 -0.00910040 0.01352717
-9.01001133 4.42366553 -20.74305516
-0.00025681 -0.00015738 -0.00147631
0.00024092 0.00960323 0.00752263
2.17947022 0.67239716 -3.14885511
-0.00041039 -0.00132536 0.00084193
-0.00801910 -0.00889962 -0.01380885
0.49292893 0.26363973 -0.48884613
-0.00020525 -0.00038763 -0.00089661
0.03674597 0.01565031 -0.03550068
14.07117586 9.31413825 3.31212414
-0.00054668 -0.00022192 -0.00001781
0.00317682 0.00286877 0.00941206
11.45108004 8.81947992 2.20684785
0.00025074 0.00007197 -0.00081240
0.01722075 -0.00511408 0.03082697
5.38427472 -9.28641614 -10.56338274
-0.00007960 -0.00011300 -0.00004680
-0.00114490 0.00877302 -0.01077542
-12.96643183 10.39670531 21.29021959
0.00012192 -0.00003718 0.00008879
0.00944652 -0.00179916 -0.00427805
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06631100
0.32178677
428.76474358
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.129 s
total exchange = -52.3600925210 (a.u.)
total exchange computation time: 3.3357570171 s
-154.1610633250
-931.38712083
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.123 s
total exchange = -52.3600508402 (a.u.)
total exchange computation time: 3.3343050480 s
-154.1627847264
Anderson extrapolation: theta=1.3333812139 (1.3333812139)
-931.38739114
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.126 s
total exchange = -52.3599352979 (a.u.)
total exchange computation time: 3.3340020180 s
-154.1652836222
Anderson extrapolation: theta=0.0500305683 (0.0500305683)
-931.38755042
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.126 s
total exchange = -52.3598750902 (a.u.)
total exchange computation time: 3.3343288898 s
-154.1656829049
Anderson extrapolation: theta=1.8600584403 (1.8600584403)
-931.38755618
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.128 s
total exchange = -52.3597372497 (a.u.)
total exchange computation time: 3.3338708878 s
-154.1665206769
Anderson extrapolation: theta=0.2159877653 (0.2159877653)
-931.38756203
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.128 s
total exchange = -52.3596952111 (a.u.)
total exchange computation time: 3.3348441124 s
-154.1667139125
Anderson extrapolation: theta=1.8781706203 (1.8781706203)
-931.38756316
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.128 s
total exchange = -52.3596262211 (a.u.)
total exchange computation time: 3.3352019787 s
-154.1669576046
Anderson extrapolation: theta=0.2874890929 (0.2874890929)
-931.38756462
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.127 s
total exchange = -52.3596183621 (a.u.)
total exchange computation time: 3.3346948624 s
-154.1669075156
Anderson extrapolation: theta=1.2902908078 (1.2902908078)
-931.38756499
238.262771 30.177318 158.077254
-142.776764 489.775743 -806.265585
95.486007 519.953061 -648.188330
836.431034
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0703488372
ExchangeOperator: pair fraction: ispin=0: 0.1850730124
ExchangeOperator: bisection time: 5.127 s
total exchange = -52.3596184625 (a.u.)
total exchange computation time: 3.3366889954 s
678.71569693
-1083.16836298
89.72732401
-389.51901310
-174.78359168
77.98211949
551.60419304
0.00000000
-931.38756528
-8.67333257 -3.96987629 3.65816572
0.00020005 -0.00001820 0.00009907
-0.07282070 0.02708870 0.01430985
-17.78653844 4.31158248 6.44503552
0.00026276 -0.00020351 -0.00014968
0.01163485 -0.01460705 -0.03076215
-15.53223631 -0.91188273 0.33282738
0.00026051 -0.00000669 -0.00007617
0.03650321 0.03839259 0.03732647
3.07028866 -20.56210808 15.47464958
-0.00031005 -0.00003640 -0.00017253
-0.00004076 -0.03273879 -0.00329442
7.77920273 16.01256527 -1.26234649
0.00035695 -0.00002099 0.00012864
-0.01157825 -0.00425749 0.01775115
-9.95397532 9.43760050 11.01958058
-0.00027524 -0.00003709 -0.00013553
0.00146457 -0.01102117 -0.00475952
-8.34288645 -0.41919730 -14.32383628
-0.00005833 0.00013502 -0.00009820
-0.02503299 -0.01226510 -0.03956339
-10.79382361 2.38886697 -6.96144511
-0.00008078 -0.00005172 0.00009950
-0.01903797 -0.06232598 -0.02826317
-0.40247178 -5.72488459 15.43578628
-0.00024982 0.00003839 0.00024111
-0.01306023 -0.00446305 0.00660306
-25.77638067 -0.73725879 -20.66714852
-0.00027088 -0.00007235 0.00011992
0.01795614 -0.01071377 0.02405482
8.88001394 7.49705226 7.82808449
0.00003317 -0.00007213 -0.00017573
0.01260999 -0.00433120 -0.00702763
20.86881241 28.56569955 -5.04200801
0.00017983 -0.00028199 0.00006075
0.00323431 -0.00458258 0.01171257
7.68971210 -1.55210553 -7.27224775
-0.00018927 0.00009407 -0.00008926
0.02581292 0.01047643 -0.00057595
-9.22668995 -3.45525769 13.55962271
0.00022586 0.00003082 0.00005331
0.02341482 -0.03117498 0.01277292
-1.25333172 -22.68272941 14.06663599
0.00014631 0.00014536 0.00030382
0.01506920 -0.01569355 0.00888348
-10.99056049 -8.64741991 -8.06149744
0.00017252 0.00002596 0.00017604
-0.02981513 -0.08944285 0.01688214
-15.91135532 -8.59111546 -15.52002063
-0.00006770 0.00002784 -0.00005554
-0.01280066 -0.02688325 -0.00548474
16.93872535 12.78317381 3.60366691
0.00045072 0.00020237 -0.00005509
-0.00236845 0.00414081 -0.01556135
20.07849270 -4.62476978 -14.79970256
-0.00021536 -0.00001288 -0.00017201
0.02677625 0.03285289 -0.01573381
-0.31858363 8.13414905 -14.91160208
0.00020628 -0.00019642 -0.00004697
-0.00762211 -0.03436156 -0.01769597
0.59751393 -0.46302512 -17.00880506
-0.00026566 0.00052651 -0.00012575
-0.00816030 -0.00256280 0.00144766
12.00468778 20.86115339 -23.18431804
0.00055773 -0.00032369 0.00001838
-0.01443426 -0.04298080 -0.01708955
-11.34474530 15.19022770 -16.30690541
-0.00012684 -0.00021738 -0.00011003
-0.02305508 -0.02884953 -0.00261263
4.66829468 17.68163388 10.58084117
0.00035059 0.00013531 -0.00044480
-0.02985527 0.02707466 0.01177160
-2.16000196 -11.09640423 -3.54539624
0.00015447 -0.00008494 -0.00000126
-0.04927186 0.01659746 0.00377245
1.32954033 -8.13518616 3.92888901
0.00026300 0.00005070 0.00047297
0.03398807 -0.00551762 0.01191900
9.56366003 2.13731280 8.28739290
-0.00015451 0.00029341 0.00008997
-0.01130752 0.02196860 -0.00382779
-6.95531044 -9.07936592 -3.08937956
-0.00004586 0.00044748 -0.00009601
-0.01350545 -0.02636460 0.03054012
3.82454010 -12.22579818 -13.17075920
-0.00011103 0.00015287 -0.00021701
0.00225139 0.00274921 -0.00168818
1.25834075 -4.50532286 -0.84921361
0.00005367 0.00003795 0.00024364
-0.00000183 -0.03404941 0.02852640
17.23975730 4.53539490 27.01464316
0.00037593 -0.00003227 -0.00015957
-0.00461386 -0.01530676 0.02080808
-9.76437137 6.05259823 -4.22130156
-0.00030124 -0.00001898 0.00060406
0.00213496 0.05108615 0.01877699
-4.73468089 14.93853359 -9.34783602
0.00030576 0.00000659 -0.00014962
0.00162494 -0.00051985 0.00433405
2.90538576 12.24990214 -6.91210930
-0.00028820 0.00018968 -0.00004763
0.00625844 0.01620698 -0.01195938
-4.07158680 11.99727128 -13.71179789
0.00013431 0.00028092 0.00012272
-0.02004166 0.03397925 0.00348212
3.84979632 7.32976585 17.29237571
-0.00005928 0.00008073 0.00006503
-0.00051161 -0.00895067 0.03048172
-15.56428039 8.64640585 -9.13409859
-0.00015553 -0.00011002 -0.00005082
0.05179502 -0.00270143 0.01907606
3.76245857 9.23778279 0.61150092
0.00016730 0.00030373 0.00021660
0.05054221 0.00654263 0.00279531
15.88426048 -24.08174599 -26.69513229
0.00006316 -0.00018382 -0.00012900
-0.00395756 -0.00119196 0.01234601
5.64882278 4.14060289 0.29634227
-0.00024820 -0.00008132 0.00024116
-0.01648504 0.02275390 0.01756153
17.30894913 -5.33098989 0.17049113
0.00020216 -0.00011664 -0.00027174
-0.01361046 0.00337949 -0.02667797
-4.81086580 2.41172749 -2.32436938
-0.00007880 0.00008554 0.00038392
0.09009798 0.00386684 -0.01305146
0.74128939 2.55589449 -11.91027909
-0.00011236 0.00026816 -0.00013366
0.02376737 0.03548374 -0.04020154
15.40968382 8.84490569 -7.20413759
0.00003547 0.00000137 0.00036456
-0.01924677 -0.02392985 -0.00469930
-6.57042719 1.07584228 12.84464166
-0.00030058 0.00016323 -0.00005017
0.01762082 -0.00455226 -0.03499386
-3.59909815 -16.21410147 12.88633274
-0.00008497 0.00016227 -0.00012432
-0.01835450 -0.01313256 -0.01579993
6.96353543 -6.68757991 -6.34744315
-0.00021720 0.00042110 -0.00021145
0.00657564 -0.00033113 -0.02176879
-1.12502453 -11.69560363 1.24534356
-0.00014537 -0.00017528 -0.00041143
-0.01603525 0.02463687 0.01250231
-15.99078880 -1.80647177 5.57260454
0.00037736 -0.00003475 0.00043894
-0.00538597 -0.00379879 -0.01367158
-9.25784679 3.38644871 -22.20612663
-0.00013364 -0.00012573 -0.00018173
-0.00231673 0.00148652 -0.01801061
1.94788500 1.09979693 -1.41374662
-0.00025305 -0.00005574 -0.00016656
-0.03058958 0.00148379 0.04985122
12.55947543 8.39167487 3.74156197
0.00016391 -0.00028615 -0.00017786
-0.03080002 0.00168238 -0.04248055
-7.18755765 -4.47642134 2.94223616
0.00068218 -0.00006577 -0.00044673
0.05303393 -0.01173907 -0.04427510
-10.04071724 -3.81699431 2.34655858
0.00086379 0.00058657 -0.00015303
0.03463387 0.00730503 0.00991596
-16.39673395 5.45536404 6.73593182
-0.00032744 -0.00082706 -0.00009810
0.00343384 0.00979679 0.00679231
-17.32877651 3.63722081 4.73844400
-0.00059079 -0.00004423 -0.00056743
-0.01226090 0.00699313 0.02588206
-15.99696724 0.95600742 0.57058241
0.00065302 -0.00041168 -0.00048860
0.00137268 -0.03455156 -0.01584361
-16.68811550 -1.86818706 -0.58397251
-0.00085113 -0.00024367 -0.00144041
-0.03320692 -0.00455157 -0.01957190
1.31325441 -21.16505145 15.08102499
-0.00060716 0.00104304 0.00071549
0.01265623 0.02333549 0.00620956
3.27804533 -18.86598998 16.06178907
-0.00086147 0.00030811 0.00004407
-0.00933912 0.00960059 -0.00241462
8.05739724 14.15045047 -1.24295970
-0.00002113 0.00014767 0.00003036
0.00095439 0.01121750 0.00648822
6.86927008 16.42298966 0.32731217
-0.00094477 0.00025819 -0.00016591
0.01429633 -0.00822298 -0.02450022
-8.77526170 9.16749823 12.44170990
-0.00081622 -0.00141940 -0.00000527
-0.00413721 -0.00025218 0.00121476
-10.83360134 10.97145158 11.40386992
0.00035805 -0.00078326 -0.00029774
0.00398484 0.01133913 0.00676506
-10.10097215 0.41029211 -14.47359177
-0.00037945 0.00012111 0.00017896
0.03412795 -0.01632357 0.00451103
-8.19966687 -1.57026538 -15.89697218
-0.00053903 0.00114868 -0.00118655
-0.00638148 0.02914787 0.03738509
-12.07747536 0.97419107 -6.86221623
0.00034268 -0.00006128 0.00027917
0.01812280 0.02856175 0.00058444
-11.17659631 3.70497381 -5.83039349
0.00054988 -0.00009580 -0.00047900
-0.00393562 0.01844657 0.01841380
-2.00272138 -6.48446490 14.76059339
0.00001637 -0.00002254 0.00028437
0.01095546 0.01032058 0.00489432
-0.48577368 -5.76580616 17.28810953
-0.00022368 -0.00053203 0.00117867
-0.00032937 -0.00250899 -0.01171653
-24.44432597 -0.28805371 -19.46262658
0.00136777 0.00037263 -0.00074616
-0.00377027 -0.00424779 -0.00468960
-25.80916281 0.50521941 -21.96626159
-0.00091889 -0.00082624 -0.00085566
-0.00654003 0.02211078 -0.01966681
9.78600196 7.97846885 6.27390765
0.00081596 -0.00143626 0.00036604
0.00100444 -0.00116713 0.01298172
10.07173830 7.98047246 9.21277966
0.00021620 0.00024954 -0.00047379
-0.00446778 -0.00178996 -0.01297189
19.88973989 27.59043722 -3.81666695
0.00044929 0.00047593 0.00002556
0.00283034 0.00426917 -0.00268332
20.45945276 30.38686092 -4.73762069
0.00041077 -0.00092715 -0.00052212
-0.00254805 -0.00543354 0.00517390
5.99244717 -0.95758291 -7.34030122
0.00095600 -0.00039332 -0.00048920
-0.01433405 0.00692637 0.00148171
7.67023647 -3.34231791 -7.03043566
-0.00010002 -0.00025846 0.00027756
-0.01378397 -0.01017160 -0.00000188
-8.49829777 -2.25829808 12.42155071
0.00002887 -0.00071153 0.00083623
-0.00505474 0.01118889 -0.01058447
-11.01021901 -3.48450365 13.55153877
-0.00013522 0.00024772 0.00044532
-0.01833658 0.01797909 -0.00835694
-0.90989611 -24.37736853 14.80449435
0.00029022 -0.00080028 -0.00088706
-0.01041755 0.00750845 -0.00986342
-3.00337912 -22.26121195 14.33809151
-0.00042590 -0.00038983 0.00048646
-0.00756077 -0.00238174 -0.00323158
-12.67095626 -8.25500936 -7.42081590
-0.00012328 -0.00014694 -0.00049170
-0.00939492 -0.00647302 0.01093089
-10.50726907 -7.07606892 -8.36486471
-0.00030957 0.00004421 0.00175671
0.04572398 0.09385563 -0.02613699
-16.08561457 -10.46274432 -15.72480492
0.00037260 -0.00109868 0.00083077
0.00715619 0.02878331 0.00863535
-14.26085419 -8.03722370 -16.17432103
-0.00002323 0.00034235 0.00013076
-0.00012917 -0.00304950 -0.00054200
17.37721618 12.89496766 5.38485885
0.00002248 -0.00012541 0.00026801
-0.00276065 0.00070913 0.00243349
17.02712239 14.45124324 2.79648586
-0.00032393 -0.00012691 0.00014255
0.00452178 -0.01203750 0.00476902
18.27598135 -4.62398626 -14.90093556
-0.00034382 -0.00067883 0.00040461
-0.00466159 0.00679028 -0.00073255
20.74632463 -2.89285270 -15.43469223
-0.00019939 -0.00027684 -0.00006573
-0.01816227 -0.04236748 0.01164656
-0.36363354 6.64853385 -13.77805573
0.00136563 -0.00042607 -0.00058378
-0.00489870 0.01262203 -0.00902682
-0.35151791 7.33454402 -16.62833871
-0.00083345 0.00103191 -0.00040003
-0.00038038 0.01634326 0.02687832
0.60986006 0.69233779 -15.60252333
-0.00060140 0.00047247 -0.00011125
-0.00311512 0.01230346 0.00883206
2.30384979 -1.09669582 -16.96274589
0.00042694 -0.00061531 0.00043443
0.01010653 -0.00474869 -0.00489299
12.46638249 22.36020430 -22.34230559
-0.00081129 -0.00088421 -0.00093980
0.00207304 0.03178007 0.01158384
10.16277176 20.90102512 -23.37636190
-0.00015612 0.00006724 -0.00008741
0.00825696 0.00286355 0.00377854
-10.14238064 16.02228710 -17.38695832
-0.00113709 -0.00034691 0.00044352
0.01025130 0.00666681 -0.00652706
-10.91275248 15.76938424 -14.69247799
-0.00025853 0.00078739 -0.00017225
0.00405181 0.00828274 0.02603974
3.38306767 18.76333675 11.50625223
-0.00009870 0.00025426 0.00085590
0.02911149 -0.02627559 -0.02290862
4.75164616 18.39803430 8.87051946
0.00027126 -0.00000220 -0.00073204
0.00152455 -0.00709843 0.00993725
-3.99141231 -10.48465245 -3.28769174
-0.00083322 0.00034842 -0.00001922
0.03890410 -0.00913147 -0.02222569
-1.79867501 -11.25650268 -1.73594736
-0.00140689 0.00068701 -0.00028578
0.01692564 -0.00620969 0.00539124
0.06117480 -7.46602279 5.02780927
-0.00039761 -0.00000540 0.00001795
-0.00909332 0.01046036 0.00940034
2.83868251 -8.46792093 5.07662757
-0.00001332 0.00014049 -0.00028031
-0.02053962 0.00889624 -0.02240817
7.75701708 1.89135163 8.53116084
-0.00023926 0.00020825 -0.00090954
0.00850404 0.00421157 0.00294542
9.70146107 4.02321291 8.05662821
-0.00020848 0.00110696 0.00112092
-0.00377091 -0.01981056 0.00210569
-8.22101313 -8.50768649 -4.19414324
-0.00071190 0.00012890 0.00055436
-0.01674322 0.01709176 -0.02912901
-8.06913463 -10.19804392 -2.07235145
-0.00078018 -0.00004787 -0.00028690
0.01489364 0.00942645 -0.00087948
4.68166503 -13.45006796 -12.14804166
-0.00021487 0.00081986 -0.00065670
0.00426563 -0.00691735 0.00333026
2.36364735 -13.06189791 -13.89748460
-0.00044604 0.00057461 -0.00044441
-0.00712143 -0.00027880 -0.00557062
1.40535662 -5.90860277 0.46287555
0.00061288 0.00033856 0.00020887
0.00030584 0.02822726 -0.02550471
-0.34344337 -3.78870924 -0.34989391
-0.00037575 0.00005474 -0.00037119
-0.00036937 0.00126899 -0.00030142
17.37526382 3.27616898 25.69797413
-0.00030269 -0.00008989 0.00008432
-0.00191363 -0.00048607 0.00381483
16.68213976 3.56090916 28.52756467
0.00027424 0.00099380 -0.00088663
0.00655923 0.01271257 -0.02537429
-10.69032013 7.50808475 -3.41410323
0.00033211 0.00125473 0.00059581
0.00706666 -0.01970558 -0.01070208
-8.31727917 6.95594923 -5.10551634
-0.00015270 0.00044470 0.00021017
-0.01669847 -0.01137526 0.00200969
-6.26156763 15.91015232 -9.09149595
0.00040205 -0.00003862 -0.00015557
0.00290173 -0.00095380 -0.00805136
-4.56528065 14.42002571 -11.11833982
0.00066441 0.00003545 0.00003682
-0.00150296 0.00167634 0.00885481
2.73624139 11.05461672 -5.57121825
0.00013959 0.00057002 -0.00050787
-0.00130039 -0.01254748 0.00603097
1.40175331 13.29592906 -6.96547100
0.00065348 0.00025501 0.00036414
-0.00266759 0.00397834 0.00543758
-2.58170218 11.12111780 -14.06021774
0.00040130 -0.00080772 0.00050276
0.03730121 -0.02249267 -0.00681426
-5.17731361 10.72907524 -13.11791461
0.00033353 0.00017810 0.00004696
-0.01785340 -0.01524822 0.00633535
4.72612074 7.32254402 18.94681299
0.00040700 -0.00072569 -0.00077321
-0.00822141 0.00260616 -0.01491505
2.12490691 6.74035504 17.74009951
0.00042296 -0.00008857 -0.00001609
0.00606106 0.00747105 -0.00985583
-13.69523720 8.37391323 -8.95649913
-0.00133475 -0.00073475 -0.00034165
-0.02639486 0.00256372 -0.01560112
-15.99739078 8.40865483 -7.36422821
0.00012430 -0.00036321 0.00049437
-0.01962515 -0.00333002 -0.00294318
5.27741045 10.38494073 0.76378517
-0.00000113 -0.00166327 0.00010406
-0.02615158 -0.02184505 -0.00685650
2.29266139 10.24565069 0.66829143
-0.00014568 -0.00114274 -0.00109783
-0.01652426 0.00514748 0.00377780
14.36815454 -23.76442873 -25.61604019
-0.00003287 -0.00018534 -0.00012548
0.00800121 -0.00605844 -0.00834517
15.24593368 -24.92729212 -28.17943931
0.00043252 -0.00074463 0.00130837
-0.00614403 0.00333166 0.00043241
3.85691485 3.86710929 -0.17970462
-0.00018878 0.00098357 0.00163285
0.01557793 -0.00141523 0.00257550
5.64143517 5.78119277 1.24140432
0.00063824 -0.00013983 0.00067838
-0.00173843 -0.02278524 -0.01937923
17.92738979 -3.65644217 -0.40218254
0.00077166 -0.00009924 0.00082563
-0.01279982 -0.01613300 0.01524517
16.07652513 -5.86691112 -1.15603285
-0.00035660 0.00067225 -0.00089770
0.02239902 0.00371873 0.01746339
-6.40878058 2.77087748 -1.83859751
0.00009897 -0.00024942 0.00004819
-0.07384855 0.01718078 0.02687346
-4.93248881 1.36112031 -3.77516949
-0.00019788 -0.00016128 0.00016295
-0.00505896 -0.01577283 -0.01225108
2.55103185 2.98073910 -11.82390261
0.00002155 0.00040247 -0.00135735
-0.02209005 -0.01053746 0.00232592
0.34450178 1.21104753 -10.84058686
-0.00051838 -0.00155144 -0.00036369
-0.00507436 -0.02479353 0.02695035
16.90398001 7.92029377 -8.01877263
-0.00117021 -0.00002500 -0.00059964
0.00177306 0.01302082 0.00502394
15.42711269 10.51170866 -6.53153469
-0.00081555 -0.00058045 0.00073090
0.01960812 0.00942573 -0.00226938
-7.32725413 1.03464528 11.13761091
-0.00024020 0.00123825 0.00040079
0.01152379 -0.00051217 0.00973152
-7.98445966 1.28419537 13.94549225
-0.00057804 0.00003804 0.00112209
-0.02240937 0.01423393 0.01877831
-2.54605272 -16.72773082 14.31381240
-0.00052753 -0.00017523 0.00114338
0.00324438 0.00492020 0.00217717
-4.70196187 -17.66952234 12.47306044
-0.00045757 -0.00172965 0.00023297
0.01198024 0.00991216 0.00627640
7.22143859 -6.13277378 -4.63230136
0.00081049 -0.00033710 -0.00049327
-0.00679747 -0.00527873 0.02059381
5.48073044 -7.77937695 -6.47054703
-0.00042809 0.00023115 0.00002396
-0.00849241 0.00133358 0.01531287
-2.86703922 -11.48930166 1.94171401
0.00001793 -0.00007786 -0.00050110
0.01657865 0.00083404 -0.00180864
-0.33358703 -10.06943287 1.85041079
0.00006615 0.00001796 -0.00035810
-0.00864239 -0.02313393 0.00252609
-14.70457425 -0.73031455 6.26288857
-0.00054141 -0.00014944 0.00006466
0.00481120 0.00155962 -0.00041270
-15.66820252 -1.76745576 3.71903883
0.00055450 0.00064015 0.00119580
-0.00339120 0.00082818 0.00984537
-9.56350293 4.50851746 -23.70649421
-0.00005572 -0.00063585 -0.00008352
0.00137321 -0.00792730 0.01189109
-9.01385609 4.42159913 -20.76496923
-0.00025330 -0.00010837 -0.00143030
0.00147724 0.01438665 0.01499606
2.17306864 0.65224410 -3.13664927
-0.00044025 -0.00136339 0.00077488
-0.00659921 -0.00971726 -0.01901199
0.49097613 0.25830489 -0.50338315
-0.00005746 -0.00032442 -0.00103770
0.03560232 0.01529068 -0.03356442
14.06307295 9.31089733 3.31214546
-0.00052484 -0.00020557 0.00001916
0.00751373 0.00513584 0.00868447
11.45536890 8.82040279 2.19560646
0.00032240 0.00004946 -0.00068233
0.01785397 -0.00590526 0.03284301
5.38307770 -9.28808754 -10.56411370
-0.00008000 -0.00010983 -0.00005067
-0.00112249 0.00892157 -0.01081344
-12.96458666 10.39614441 21.29154399
0.00012413 -0.00003761 0.00008778
0.00967982 -0.00190327 -0.00442719
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06631809
0.32124719
428.04578094
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1873228772
ExchangeOperator: bisection time: 5.120 s
total exchange = -52.3667713407 (a.u.)
total exchange computation time: 3.4427709579 s
-154.1918421854
-931.38727257
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1873228772
ExchangeOperator: bisection time: 5.132 s
total exchange = -52.3666395166 (a.u.)
total exchange computation time: 3.4431028366 s
-154.1941693051
Anderson extrapolation: theta=1.3532706529 (1.3532706529)
-931.38755326
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1873228772
ExchangeOperator: bisection time: 5.127 s
total exchange = -52.3663818322 (a.u.)
total exchange computation time: 3.4438879490 s
-154.1976189740
Anderson extrapolation: theta=0.0595042105 (0.0595042105)
-931.38772588
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1873228772
ExchangeOperator: bisection time: 5.131 s
total exchange = -52.3662951877 (a.u.)
total exchange computation time: 3.4426670074 s
-154.1981831498
Anderson extrapolation: theta=2.2096232074 (2.0000000000)
-931.38773486
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1873228772
ExchangeOperator: bisection time: 5.125 s
total exchange = -52.3660856864 (a.u.)
total exchange computation time: 3.4419159889 s
-154.1994509534
Anderson extrapolation: theta=0.3821009856 (0.3821009856)
-931.38774697
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1873228772
ExchangeOperator: bisection time: 5.127 s
total exchange = -52.3659907756 (a.u.)
total exchange computation time: 3.4447300434 s
-154.1999438814
Anderson extrapolation: theta=1.3435196565 (1.3435196565)
-931.38775068
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1873228772
ExchangeOperator: bisection time: 5.129 s
total exchange = -52.3658738506 (a.u.)
total exchange computation time: 3.4425051212 s
-154.2004634558
Anderson extrapolation: theta=0.4771708697 (0.4771708697)
-931.38775433
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1873228772
ExchangeOperator: bisection time: 5.127 s
total exchange = -52.3658347610 (a.u.)
total exchange computation time: 3.4410581589 s
-154.2005480059
Anderson extrapolation: theta=0.8952380925 (0.8952380925)
-931.38775562
238.228735 30.095463 158.114266
-142.824995 489.754766 -806.297317
95.403741 519.850229 -648.183052
836.353635
total_electronic_charge: 430.00000000
Bisection::compute_transform: nsweep=50 maxsweep=50 tol=0.0000010000
ExchangeOperator: bisection size: ispin=0: 0.0707848837
ExchangeOperator: pair fraction: ispin=0: 0.1873228772
ExchangeOperator: bisection time: 5.131 s
total exchange = -52.3658153434 (a.u.)
total exchange computation time: 3.4440031052 s
678.80430034
-1083.36892813
89.72231852
-389.38084068
-174.79879100
78.09538314
551.60419304
0.00000000
-931.38775630
-8.67061276 -3.97004486 3.65970703
0.00016481 -0.00000490 0.00010576
-0.06420001 0.02465627 0.01167601
-17.78255211 4.30847356 6.44267170
0.00026741 -0.00021208 -0.00016582
0.00645057 -0.01875012 -0.03201909
-15.52818792 -0.91183495 0.33182876
0.00027688 0.00001020 -0.00005923
0.02716988 0.02728888 0.02856627
3.06563770 -20.56278036 15.47204897
-0.00030988 -0.00005209 -0.00017384
0.00071923 -0.02829205 -0.00179915
7.78451231 16.01223395 -1.26034835
0.00035059 -0.00002265 0.00013821
-0.01316689 -0.00216973 0.01943752
-9.95809827 9.43700169 11.01752929
-0.00027351 -0.00004460 -0.00013843
0.00527942 -0.01818104 -0.00652273
-8.34385789 -0.41721928 -14.32546191
-0.00007160 0.00012879 -0.00011891
-0.02658494 -0.01195531 -0.04094632
-10.79510879 2.38785072 -6.96006162
-0.00008988 -0.00008432 0.00008422
-0.01635434 -0.06441878 -0.03117540
-0.40626947 -5.72432601 15.43942837
-0.00025623 0.00003621 0.00024624
-0.01187837 -0.00398373 0.01336376
-25.78037460 -0.73838542 -20.66525688
-0.00026074 -0.00007730 0.00013266
0.02146705 -0.00852004 0.02546469
8.88056008 7.49595353 7.82542144
0.00003948 -0.00007457 -0.00017874
0.01195845 -0.00515842 -0.00467494
20.87152233 28.56145198 -5.04105159
0.00018218 -0.00028481 0.00006596
0.00590394 -0.00636617 0.00856712
7.68697264 -1.55065408 -7.27358881
-0.00017344 0.00009770 -0.00008928
0.03575669 0.00366229 0.00048821
-9.22321170 -3.45491557 13.56047164
0.00023603 0.00001321 0.00006139
0.01613739 -0.03731730 0.01863198
-1.25107887 -22.68060960 14.07122751
0.00015316 0.00013695 0.00030865
0.01153201 -0.01699331 0.00991785
-10.98808769 -8.64737545 -8.05879174
0.00015698 -0.00002057 0.00018471
-0.03061114 -0.09151524 0.01685489
-15.91242015 -8.59080150 -15.52087484
-0.00007428 0.00001275 -0.00005842
-0.01278775 -0.03180453 -0.00570743
16.94547700 12.78622536 3.60278058
0.00044952 0.00020373 -0.00006244
-0.00229728 0.00114975 -0.01305064
20.07536558 -4.62483623 -14.80234344
-0.00020182 0.00000352 -0.00017994
0.02586468 0.03093256 -0.01509093
-0.31551887 8.13107018 -14.91237486
0.00020235 -0.00021350 -0.00005597
-0.00766187 -0.03203809 -0.01731648
0.59349750 -0.45513732 -17.01068574
-0.00026794 0.00052434 -0.00012509
-0.00070646 -0.00589673 0.00112684
12.01299810 20.85613223 -23.18410822
0.00054819 -0.00034789 0.00000821
-0.02268711 -0.05110935 -0.02247812
-11.34673677 15.18685572 -16.30856590
-0.00013964 -0.00023280 -0.00010948
-0.02672868 -0.03113289 0.00474365
4.67343835 17.68376796 10.57421452
0.00033454 0.00014980 -0.00043821
-0.03256568 0.02925842 0.01388349
-2.15787499 -11.09761437 -3.54540065
0.00012760 -0.00007580 -0.00000011
-0.05520019 0.01895271 0.00071165
1.33361643 -8.13444692 3.93602952
0.00027932 0.00004815 0.00047850
0.02946233 -0.00440275 0.00957662
9.56129877 2.14179864 8.28872768
-0.00016018 0.00030558 0.00008797
-0.01075892 0.02536570 -0.00394630
-6.95605040 -9.07275542 -3.09070191
-0.00005357 0.00043329 -0.00007985
-0.01650177 -0.02880731 0.03230276
3.82288326 -12.22349451 -13.17402081
-0.00011075 0.00015530 -0.00021885
-0.00115992 0.00670227 -0.00546581
1.25914574 -4.50488489 -0.84544897
0.00005340 0.00002094 0.00025803
-0.00105238 -0.03209748 0.02743679
17.24537846 4.53485173 27.01232988
0.00037407 -0.00003898 -0.00015013
-0.00262712 -0.01076864 0.01587970
-9.76888167 6.05251053 -4.21216827
-0.00029997 0.00000850 0.00061358
0.00280761 0.05577684 0.01824185
-4.73008826 14.93863050 -9.35006354
0.00030679 0.00000631 -0.00014706
0.00239942 -0.00057235 0.00559382
2.90108684 12.25280980 -6.91286982
-0.00028363 0.00019809 -0.00005469
0.01152831 0.01652598 -0.01550907
-4.06964945 12.00161622 -13.70994358
0.00012569 0.00029737 0.00012408
-0.01348643 0.02998595 0.00177270
3.84890507 7.33094233 17.29346879
-0.00005929 0.00007632 0.00007972
0.00049034 -0.00821079 0.02662156
-15.56641361 8.64474508 -9.13478738
-0.00013084 -0.00011134 -0.00004021
0.04421460 -0.00240400 0.02218858
3.76516297 9.24236405 0.61476067
0.00019278 0.00030457 0.00021787
0.04857060 -0.00327662 0.00214395
15.88519254 -24.08450795 -26.69701961
0.00006165 -0.00018345 -0.00012089
-0.00191306 0.00263585 0.01916273
5.64503625 4.13947084 0.30002747
-0.00025587 -0.00006919 0.00025067
-0.01334415 0.02442376 0.01938632
17.31192897 -5.33272647 0.16631214
0.00019456 -0.00011538 -0.00028587
-0.01593933 0.00154035 -0.02826916
-4.81170027 2.41302553 -2.31866086
-0.00003211 0.00008689 0.00037639
0.09148236 0.00136879 -0.01623236
0.73969571 2.56005375 -11.91243907
-0.00010104 0.00028412 -0.00015255
0.02025046 0.02657023 -0.03326221
15.41014160 8.84483391 -7.19868739
0.00002469 -0.00001162 0.00036211
-0.02267244 -0.02657154 -0.00482062
-6.57486798 1.07827318 12.84375410
-0.00029251 0.00016125 -0.00006617
0.01379035 -0.00316330 -0.02722415
-3.60044357 -16.21171810 12.88440703
-0.00009512 0.00015302 -0.00013179
-0.02108862 -0.02283165 -0.01324136
6.96030274 -6.68126471 -6.35069893
-0.00021426 0.00042050 -0.00022328
0.00486951 -0.00200839 -0.02422318
-1.12726686 -11.69813777 1.23922036
-0.00015312 -0.00016230 -0.00040488
-0.01411638 0.02581371 0.01297884
-15.98514923 -1.80700768 5.57913583
0.00037331 -0.00003763 0.00043213
-0.01036072 -0.00738719 -0.01280894
-9.25986028 3.38456851 -22.20892207
-0.00013507 -0.00012654 -0.00019231
-0.00327176 -0.00465036 -0.02312263
1.94397129 1.09896655 -1.41605280
-0.00026863 -0.00005459 -0.00014044
-0.02998990 0.00297267 0.05173430
12.56181534 8.38738910 3.73873019
0.00014694 -0.00028572 -0.00019985
-0.03520998 0.00000881 -0.04303813
-7.17569979 -4.47776756 2.93417856
0.00088411 -0.00010848 -0.00061964
0.04581004 -0.00916796 -0.04036857
-10.02669907 -3.80797195 2.34456701
0.00100169 0.00061605 -0.00011433
0.03286702 0.00712474 0.00902862
-16.40154028 5.44325842 6.73466838
-0.00030360 -0.00077929 -0.00006912
0.00823448 0.01358336 0.00739365
-17.33801415 3.63677168 4.73072560
-0.00064015 -0.00001502 -0.00046054
-0.01189858 0.00730664 0.02644232
-15.98712987 0.94877342 0.56276795
0.00065666 -0.00054712 -0.00055239
0.00040968 -0.03174809 -0.01538302
-16.70190000 -1.87198154 -0.60617846
-0.00096537 -0.00024515 -0.00150346
-0.02271262 0.00382399 -0.01128771
1.30453481 -21.14869079 15.09194755
-0.00055687 0.00113507 0.00073926
0.01195981 0.02171425 0.00542736
3.26483711 -18.86107413 16.06237617
-0.00089858 0.00034117 0.00003263
-0.00882703 0.00658306 -0.00318857
8.05710953 14.15300928 -1.24230553
-0.00001706 0.00019081 0.00005749
0.00103870 0.00990040 0.00679415
6.85553660 16.42661054 0.32407281
-0.00088312 0.00022297 -0.00026986
0.01588408 -0.00901957 -0.02638483
-8.78763179 9.14619956 12.44166801
-0.00083313 -0.00141883 -0.00000039
-0.00414158 0.00052984 0.00117743
-10.82810855 10.96005015 11.39961111
0.00036704 -0.00072355 -0.00026641
0.00041703 0.01789156 0.00857209
-10.10561807 0.41160855 -14.47076920
-0.00023815 0.00005438 0.00019788
0.03503572 -0.01634275 0.00475272
-8.20794786 -1.55214193 -15.91362487
-0.00056373 0.00126684 -0.00103185
-0.00571014 0.02868959 0.03834513
-12.07177975 0.97414707 -6.85801076
0.00041352 0.00005331 0.00028196
0.01655235 0.02753304 0.00077956
-11.16846870 3.70410208 -5.83701424
0.00053140 -0.00001389 -0.00039767
-0.00511146 0.02164910 0.02139755
-2.00214014 -6.48448672 14.76500886
0.00005847 0.00001815 0.00030330
0.00965434 0.00959536 0.00437400
-0.48913891 -5.77386348 17.30543054
-0.00022453 -0.00054149 0.00111788
-0.00008906 -0.00212337 -0.01803929
-24.42392503 -0.28259442 -19.47396271
0.00134490 0.00035324 -0.00077107
-0.00742161 -0.00524428 -0.00750105
-25.82314650 0.49350338 -21.97969920
-0.00094512 -0.00073819 -0.00093284
-0.00630210 0.02098990 -0.01811026
9.79827210 7.95688911 6.27979611
0.00082180 -0.00143903 0.00041243
0.00185374 -0.00018831 0.00972511
10.07484442 7.98416075 9.20527525
0.00019773 0.00024224 -0.00052478
-0.00457644 -0.00178727 -0.01198851
19.89656603 27.59770696 -3.81636571
0.00045665 0.00048851 0.00002014
0.00077044 0.00188887 0.00002563
20.46553631 30.37278722 -4.74529393
0.00039879 -0.00094118 -0.00049999
-0.00331747 -0.00143571 0.00566020
6.00634796 -0.96327047 -7.34759376
0.00087756 -0.00035811 -0.00048428
-0.02406629 0.01030795 0.00092698
7.66831376 -3.34650649 -7.02627234
-0.00015642 -0.00029306 0.00027643
-0.01382219 -0.00676724 -0.00055200
-8.49801955 -2.26862820 12.43376980
0.00001520 -0.00065352 0.00078148
-0.00163681 0.01720804 -0.01621684
-11.01280927 -3.48023694 13.55796252
-0.00020249 0.00032151 0.00041076
-0.01458822 0.01814315 -0.00856077
-0.90586198 -24.38914259 14.79088628
0.00024706 -0.00076528 -0.00092797
-0.01071052 0.00962410 -0.01016240
-3.00999928 -22.26713240 14.34528940
-0.00044967 -0.00040136 0.00047172
-0.00407354 -0.00326161 -0.00398614
-12.67309332 -8.25741183 -7.42785644
-0.00016197 -0.00017483 -0.00044725
-0.00954599 -0.00717943 0.01082877
-10.51051144 -7.07252974 -8.33931499
-0.00012036 0.00043276 0.00165114
0.04689567 0.09634159 -0.02553744
-16.07980624 -10.47834245 -15.71207877
0.00040244 -0.00096983 0.00086618
0.00744940 0.03428829 0.00869671
-14.26120665 -8.03218195 -16.17237629
-0.00002474 0.00032866 0.00012870
-0.00060852 -0.00365162 -0.00046399
17.37746879 12.89310822 5.38895360
0.00001076 -0.00012212 0.00027505
-0.00297719 0.00090176 0.00101045
17.02240206 14.44897078 2.79877018
-0.00030492 -0.00017059 0.00016003
0.00478136 -0.00934531 0.00378874
18.27068117 -4.63396071 -14.89488883
-0.00036062 -0.00064997 0.00040133
-0.00355961 0.00733982 -0.00087301
20.74277716 -2.89830364 -15.43532126
-0.00027406 -0.00044671 -0.00001924
-0.01838917 -0.04078138 0.01111166
-0.34329926 6.64252956 -13.78708902
0.00134485 -0.00037707 -0.00061941
-0.00527324 0.01136669 -0.00841294
-0.36403137 7.35052346 -16.63351559
-0.00083457 0.00109633 -0.00029223
-0.00016647 0.01519167 0.02589487
0.60074366 0.69980190 -15.60392147
-0.00061325 0.00052246 -0.00007505
-0.00268809 0.01216332 0.00888767
2.31056353 -1.10607103 -16.95637933
0.00045229 -0.00062766 0.00041477
0.00230620 -0.00129510 -0.00473032
12.45427673 22.34791497 -22.35604757
-0.00079511 -0.00073578 -0.00088152
0.00584712 0.04088058 0.01694419
10.16068293 20.90212152 -23.37755732
-0.00011349 0.00007665 -0.00007171
0.01261443 0.00173959 0.00390885
-10.15912286 16.01728770 -17.38050560
-0.00108509 -0.00031294 0.00040607
0.01520409 0.00996310 -0.01180193
-10.91650633 15.78144890 -14.69426384
-0.00024389 0.00081945 -0.00007077
0.00311417 0.00741271 0.02363540
3.38247917 18.76634555 11.51838871
0.00002692 0.00014243 0.00075509
0.03238148 -0.02846627 -0.02643807
4.75576179 18.39778386 8.85984339
0.00027616 -0.00003104 -0.00068814
0.00087298 -0.00702275 0.01154962
-4.00271842 -10.47970595 -3.28866108
-0.00066635 0.00030846 -0.00011265
0.04277758 -0.01043213 -0.02350809
-1.81925966 -11.24638784 -1.74006880
-0.00133374 0.00065996 -0.00025609
0.01887840 -0.00703061 0.00914159
0.05493202 -7.46578328 5.02836657
-0.00043122 0.00003575 0.00005502
-0.00735893 0.00968568 0.00874830
2.83785338 -8.46554091 5.07173624
-0.00009187 0.00017567 -0.00036594
-0.01791407 0.00832373 -0.01950573
7.75368871 1.89460450 8.51760799
-0.00020544 0.00022536 -0.00089723
0.00805205 0.00415981 0.00308222
9.69821834 4.03921027 8.07350648
-0.00022443 0.00101918 0.00112945
-0.00403907 -0.02316104 0.00207156
-8.23220473 -8.50522930 -4.18672051
-0.00078000 0.00019973 0.00043378
-0.01659282 0.01758288 -0.02989477
-8.08038088 -10.19847308 -2.07668195
-0.00071403 -0.00000577 -0.00029263
0.01748265 0.01117860 -0.00192526
4.67857265 -13.43798197 -12.15779007
-0.00019263 0.00078254 -0.00063663
0.00661995 -0.01135270 0.00649438
2.35673848 -13.05328729 -13.90432141
-0.00047276 0.00057384 -0.00046593
-0.00595840 -0.00010001 -0.00496658
1.41455926 -5.90265935 0.46522702
0.00061285 0.00045197 0.00010704
-0.00032344 0.02728733 -0.02434096
-0.34909087 -3.78784926 -0.35547099
-0.00037380 0.00005754 -0.00037246
0.00131985 0.00010003 -0.00031998
17.37066489 3.27480568 25.69935579
-0.00031005 -0.00009357 0.00009750
-0.00168949 -0.00131297 0.00263648
16.68645437 3.57620570 28.51348774
0.00029677 0.00103816 -0.00097776
0.00446709 0.00900365 -0.01923642
-10.68512193 7.52630194 -3.40549406
0.00036236 0.00116764 0.00055037
0.00773858 -0.02292901 -0.01153983
-8.32008131 6.96227110 -5.10230228
-0.00022335 0.00039445 0.00022007
-0.01788630 -0.01321853 0.00283810
-6.25544797 15.90954383 -9.09407615
0.00041244 -0.00004182 -0.00018864
0.00218376 -0.00061605 -0.00813998
-4.55536055 14.42060876 -11.11751623
0.00065798 0.00004174 0.00007070
-0.00164724 0.00140311 0.00772888
2.73829532 11.06278259 -5.57865148
0.00013309 0.00051206 -0.00047547
-0.00187984 -0.01582523 0.00982818
1.41147379 13.29987616 -6.95984233
0.00063289 0.00027735 0.00038595
-0.00740984 0.00695411 0.00524077
-2.57453969 11.10831274 -14.05288519
0.00054190 -0.00089172 0.00047742
0.03152488 -0.01862628 -0.00559009
-5.17285771 10.73127952 -13.11701607
0.00025901 0.00011593 0.00007346
-0.01862748 -0.01518782 0.00663540
4.73197374 7.31173860 18.93475781
0.00037635 -0.00071493 -0.00082744
-0.00677812 0.00265871 -0.01163193
2.13143703 6.73925535 17.73955620
0.00044320 -0.00005951 -0.00005482
0.00384772 0.00675856 -0.00910452
-13.71606728 8.36297052 -8.96210200
-0.00142806 -0.00072587 -0.00040480
-0.01927870 0.00178442 -0.01530813
-15.99612767 8.40310465 -7.35690279
0.00004485 -0.00037564 0.00047527
-0.01926655 -0.00275325 -0.00641021
5.27659207 10.35932231 0.76513593
-0.00009809 -0.00173954 0.00007751
-0.02130751 -0.01549119 -0.00613926
2.28996979 10.22866738 0.65193968
-0.00021960 -0.00111417 -0.00108218
-0.01965972 0.00883822 0.00388656
14.36790669 -23.76739450 -25.61817803
0.00000080 -0.00020988 -0.00015915
0.00848127 -0.00595471 -0.00813826
15.25223315 -24.93835942 -28.15980057
0.00040253 -0.00073868 0.00129586
-0.00853348 -0.00042238 -0.00655196
3.85456047 3.88181954 -0.15513288
-0.00013152 0.00097614 0.00164054
0.01245443 -0.00222204 0.00118886
5.65095551 5.77839713 1.25098615
0.00063145 -0.00023380 0.00059815
-0.00158338 -0.02321687 -0.01989132
17.93857247 -3.65842507 -0.38933094
0.00071940 -0.00016283 0.00088670
-0.01278395 -0.01499645 0.01464862
16.07186244 -5.85671338 -1.16896315
-0.00026049 0.00068927 -0.00082154
0.02464843 0.00461051 0.01981681
-6.40955903 2.76766269 -1.83705119
-0.00020621 -0.00017839 0.00015938
-0.07553575 0.01758678 0.02755489
-4.93561210 1.35821781 -3.77310058
-0.00021740 -0.00022193 0.00011759
-0.00449186 -0.01391604 -0.00995715
2.55067826 2.98645319 -11.84419157
-0.00006919 0.00035749 -0.00134630
-0.02233178 -0.01147793 0.00308490
0.33657063 1.18701622 -10.84521630
-0.00053155 -0.00163242 -0.00026928
-0.00137571 -0.01484917 0.01926329
16.88648113 7.92031784 -8.02761323
-0.00115689 0.00002649 -0.00058030
0.00474979 0.01218266 0.00444302
15.41548022 10.50329075 -6.52064072
-0.00073446 -0.00053538 0.00072304
0.02009025 0.01263506 -0.00158047
-7.33050395 1.05320332 11.14392090
-0.00019653 0.00123526 0.00043538
0.00984984 -0.00095144 0.00720119
-7.99381702 1.28520215 13.96289906
-0.00065803 0.00009450 0.00118817
-0.01674644 0.01340302 0.01356796
-2.55386629 -16.73020843 14.33102983
-0.00051976 -0.00015078 0.00114347
0.00055961 0.00704512 -0.00213166
-4.70845837 -17.69516336 12.47674732
-0.00039825 -0.00167361 0.00026193
0.01705884 0.01752169 0.00790058
7.23338762 -6.13799201 -4.63906928
0.00078305 -0.00035746 -0.00040441
-0.00663511 -0.00468700 0.02290217
5.47404886 -7.77586880 -6.46971845
-0.00045961 0.00023875 0.00008678
-0.00693677 0.00238489 0.01544082
-2.86626229 -11.49044395 1.93414213
0.00008349 -0.00007426 -0.00050729
0.01551424 0.00092752 -0.00122450
-0.33285958 -10.06987235 1.84511672
0.00002984 -0.00007889 -0.00034855
-0.00913335 -0.02427467 0.00214914
-14.71254792 -0.73250841 6.26384579
-0.00051198 -0.00013468 0.00007013
0.00959541 0.00566479 0.00309348
-15.65998890 -1.75782808 3.73727758
0.00054075 0.00064195 0.00122695
-0.00334252 0.00005358 0.00540256
-9.56429670 4.49873674 -23.70738270
-0.00005123 -0.00066534 -0.00003902
0.00082615 -0.00650581 0.00989271
-9.01761032 4.42041443 -20.78596425
-0.00024479 -0.00004005 -0.00135440
0.00268898 0.01905693 0.02215881
2.16626262 0.63149549 -3.12560860
-0.00046439 -0.00140438 0.00068832
-0.00521380 -0.01034992 -0.02335939
0.49120527 0.25390716 -0.51997719
0.00008353 -0.00026377 -0.00116942
0.03341154 0.01439923 -0.03091144
14.05543053 9.30797116 3.31269900
-0.00048561 -0.00018005 0.00005322
0.01169007 0.00735560 0.00798816
11.46075196 8.82096375 2.18637789
0.00039565 0.00002410 -0.00054543
0.01800422 -0.00651153 0.03417123
5.38187464 -9.28971105 -10.56490272
-0.00008040 -0.00010661 -0.00005454
-0.00110651 0.00907419 -0.01085432
-12.96270778 10.39557689 21.29285299
0.00012641 -0.00003806 0.00008673
0.00992033 -0.00198296 -0.00462041
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06672394
0.32103236
427.75952831
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1877988102
ExchangeOperator: bisection time: 4.672 s
total exchange = -52.3732762267 (a.u.)
total exchange computation time: 3.4208590984 s
-154.2277774041
-931.38778902
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1877988102
ExchangeOperator: bisection time: 4.679 s
total exchange = -52.3731032362 (a.u.)
total exchange computation time: 3.4213080406 s
-154.2304068114
Anderson extrapolation: theta=1.3537055692 (1.3537055692)
-931.38806970
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1877988102
ExchangeOperator: bisection time: 4.671 s
total exchange = -52.3728107156 (a.u.)
total exchange computation time: 3.4236540794 s
-154.2341473218
Anderson extrapolation: theta=0.0591703376 (0.0591703376)
-931.38824156
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1877988102
ExchangeOperator: bisection time: 4.681 s
total exchange = -52.3727426793 (a.u.)
total exchange computation time: 3.4200568199 s
-154.2346101538
Anderson extrapolation: theta=2.1895619251 (2.0000000000)
-931.38825030
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1877988102
ExchangeOperator: bisection time: 4.680 s
total exchange = -52.3725883734 (a.u.)
total exchange computation time: 3.4203100204 s
-154.2355690377
Anderson extrapolation: theta=0.3604857964 (0.3604857964)
-931.38826191
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1877988102
ExchangeOperator: bisection time: 4.679 s
total exchange = -52.3725329331 (a.u.)
total exchange computation time: 3.4211258888 s
-154.2358326951
Anderson extrapolation: theta=1.3378399742 (1.3378399742)
-931.38826531
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1877988102
ExchangeOperator: bisection time: 4.680 s
total exchange = -52.3724795884 (a.u.)
total exchange computation time: 3.4217240810 s
-154.2359793084
Anderson extrapolation: theta=0.4455455784 (0.4455455784)
-931.38826870
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1877988102
ExchangeOperator: bisection time: 4.677 s
total exchange = -52.3724793931 (a.u.)
total exchange computation time: 3.4229109287 s
-154.2358379451
Anderson extrapolation: theta=0.9172111960 (0.9172111960)
-931.38826991
238.202941 30.020629 158.159970
-142.871962 489.737589 -806.328753
95.330979 519.758218 -648.168782
836.277090
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1877988102
ExchangeOperator: bisection time: 4.678 s
total exchange = -52.3724985848 (a.u.)
total exchange computation time: 3.4262840748 s
678.90118993
-1083.58490287
89.71638578
-389.23295840
-174.81548651
78.21631082
551.60419304
0.00000000
-931.38827065
-8.66838823 -3.97002323 3.66133843
0.00013475 0.00000693 0.00011094
-0.05271723 0.02133662 0.00848374
-17.77851602 4.30521998 6.44006085
0.00026939 -0.00022266 -0.00018238
0.00124743 -0.02236674 -0.03238651
-15.52392992 -0.91157664 0.33105051
0.00028851 0.00002125 -0.00004684
0.01804350 0.01565113 0.01961730
3.06099229 -20.56367090 15.46943448
-0.00030925 -0.00006538 -0.00017434
0.00173978 -0.02335368 -0.00014044
7.78972032 16.01188589 -1.25820026
0.00034350 -0.00002321 0.00014844
-0.01437849 -0.00002642 0.02035122
-9.96218049 9.43626262 11.01542768
-0.00026984 -0.00005571 -0.00014220
0.00896956 -0.02503755 -0.00814778
-8.34503442 -0.41533349 -14.32740343
-0.00008550 0.00012279 -0.00014008
-0.02745677 -0.01138983 -0.04140965
-10.79652015 2.38633749 -6.95891864
-0.00009752 -0.00011749 0.00006768
-0.01333753 -0.06457668 -0.03311560
-0.41015879 -5.72379817 15.44317355
-0.00026194 0.00003432 0.00025468
-0.01031766 -0.00339380 0.01944211
-25.78420292 -0.73957778 -20.66316878
-0.00024888 -0.00008096 0.00014582
0.02465158 -0.00572442 0.02572273
8.88119847 7.49481501 7.82272231
0.00004539 -0.00007744 -0.00018055
0.01100510 -0.00598474 -0.00237411
20.87427780 28.55715529 -5.04002908
0.00018593 -0.00028856 0.00006952
0.00867689 -0.00820718 0.00525288
7.68450903 -1.54917438 -7.27492611
-0.00015264 0.00009783 -0.00008873
0.04512332 -0.00317790 0.00162843
-9.21960895 -3.45486135 13.56146431
0.00024232 -0.00000746 0.00007238
0.00832708 -0.04305059 0.02410236
-1.24873705 -22.67862088 14.07589556
0.00015812 0.00012796 0.00031399
0.00775765 -0.01798226 0.01081997
-10.98585105 -8.64803699 -8.05595600
0.00014148 -0.00006643 0.00019310
-0.02967831 -0.08682839 0.01576206
-15.91358364 -8.59073291 -15.52177308
-0.00008078 -0.00000458 -0.00006136
-0.01251361 -0.03558912 -0.00574423
16.95221094 12.78928578 3.60179356
0.00044837 0.00020347 -0.00006844
-0.00215618 -0.00217621 -0.01025639
20.07243799 -4.62466405 -14.80510074
-0.00018895 0.00001868 -0.00018744
0.02419951 0.02801903 -0.01407313
-0.31251322 8.12774415 -14.91328123
0.00019841 -0.00022920 -0.00006464
-0.00765490 -0.02900790 -0.01639608
0.58947562 -0.44729501 -17.01255773
-0.00026647 0.00052053 -0.00012449
0.00642515 -0.00891405 0.00120265
12.02113340 20.85071678 -23.18407181
0.00053470 -0.00037590 -0.00000450
-0.02974944 -0.05783357 -0.02695749
-11.34893445 15.18324356 -16.31018980
-0.00015418 -0.00024925 -0.00010497
-0.02982314 -0.03281657 0.01278970
4.67833079 17.68612776 10.56769497
0.00031734 0.00016515 -0.00043061
-0.03430778 0.03045601 0.01564490
-2.15617387 -11.09867831 -3.54539958
0.00009808 -0.00006558 -0.00000050
-0.05961581 0.02078129 -0.00221299
1.33791982 -8.13374164 3.94324391
0.00029298 0.00004627 0.00048276
0.02367476 -0.00292629 0.00699910
9.55885450 2.14648017 8.29003202
-0.00016553 0.00031933 0.00008594
-0.01001960 0.02811205 -0.00394692
-6.95691767 -9.06636716 -3.09177507
-0.00006299 0.00041812 -0.00006318
-0.02012295 -0.03020778 0.03250635
3.82121747 -12.22113914 -13.17732459
-0.00011224 0.00015969 -0.00022260
-0.00462427 0.01036965 -0.00914220
1.25994261 -4.50469455 -0.84147266
0.00005256 0.00000514 0.00027167
-0.00220444 -0.02935015 0.02560412
17.25097936 4.53422549 27.01013911
0.00037333 -0.00004321 -0.00014349
-0.00023811 -0.00568506 0.00994628
-9.77337032 6.05285314 -4.20289425
-0.00029835 0.00003811 0.00062275
0.00347538 0.05938709 0.01741522
-4.72547711 14.93872300 -9.35224791
0.00030823 0.00000601 -0.00014383
0.00319078 -0.00059427 0.00698583
2.89687685 12.25584496 -6.91374998
-0.00027640 0.00020657 -0.00006347
0.01657773 0.01642717 -0.01861671
-4.06781614 12.00619250 -13.70807561
0.00012055 0.00031141 0.00012458
-0.00649287 0.02459969 0.00018787
3.84801761 7.33205546 17.29476724
-0.00005878 0.00007234 0.00009225
0.00148491 -0.00726637 0.02213059
-15.56820573 8.64306576 -9.13530499
-0.00011039 -0.00011242 -0.00002810
0.03533075 -0.00180266 0.02493257
3.76824208 9.24692003 0.61803696
0.00021666 0.00030034 0.00021884
0.04427257 -0.01318343 0.00163074
15.88610984 -24.08724958 -26.69875911
0.00006125 -0.00018110 -0.00010937
0.00038018 0.00652522 0.02563746
5.64114678 4.13852720 0.30386223
-0.00026182 -0.00005638 0.00026099
-0.00981170 0.02536936 0.02077967
17.31478585 -5.33445117 0.16191505
0.00018587 -0.00011511 -0.00030059
-0.01785892 -0.00048695 -0.02898594
-4.81182899 2.41433414 -2.31307757
0.00001418 0.00008712 0.00036745
0.08850226 -0.00044900 -0.01854255
0.73825826 2.56441799 -11.91485566
-0.00009171 0.00029534 -0.00016785
0.01601961 0.01706275 -0.02622869
15.41042446 8.84455713 -7.19327437
0.00001220 -0.00002581 0.00035968
-0.02589972 -0.02861482 -0.00462330
-6.57920238 1.08067968 12.84265651
-0.00028643 0.00015996 -0.00007797
0.00983076 -0.00184128 -0.01866863
-3.60195168 -16.20951086 12.88237918
-0.00010646 0.00013907 -0.00013785
-0.02302795 -0.03142119 -0.01035108
6.95710761 -6.67496500 -6.35414159
-0.00021220 0.00041907 -0.00023616
0.00314635 -0.00353019 -0.02586266
-1.12961810 -11.70047276 1.23319728
-0.00015982 -0.00014889 -0.00039817
-0.01195533 0.02636345 0.01311180
-15.97958960 -1.80760058 5.58556830
0.00036672 -0.00004234 0.00042588
-0.01525257 -0.01095066 -0.01149658
-9.26189901 3.38265244 -22.21189590
-0.00013695 -0.00013046 -0.00020523
-0.00403018 -0.01058425 -0.02714143
1.93982622 1.09815910 -1.41795986
-0.00028357 -0.00005261 -0.00011387
-0.02813651 0.00473287 0.05157811
12.56388362 8.38310339 3.73556639
0.00012793 -0.00028615 -0.00022194
-0.03870259 -0.00171566 -0.04283435
-7.16103440 -4.47967566 2.92364692
0.00105242 -0.00013931 -0.00077441
0.03657814 -0.00592448 -0.03538955
-10.01066661 -3.79851294 2.34312878
0.00113093 0.00064499 -0.00008042
0.03039767 0.00704446 0.00756713
-16.40584195 5.43198527 6.73385808
-0.00026064 -0.00071652 -0.00003783
0.01279571 0.01714404 0.00792623
-17.34798100 3.63677036 4.72462774
-0.00068758 0.00001492 -0.00035285
-0.01131869 0.00734773 0.02627243
-15.97726738 0.93959370 0.55401072
0.00065606 -0.00066944 -0.00061398
-0.00070197 -0.02812626 -0.01476693
-16.71707647 -1.87554166 -0.62907620
-0.00103713 -0.00021332 -0.00153277
-0.01241636 0.01176083 -0.00306198
1.29654819 -21.13099934 15.10320273
-0.00051016 0.00122004 0.00075960
0.01090636 0.01987724 0.00453155
3.25108792 -18.85575483 16.06276786
-0.00093338 0.00036154 0.00001787
-0.00820621 0.00338618 -0.00403433
8.05688548 14.15617485 -1.24123497
-0.00001259 0.00022802 0.00008579
0.00115044 0.00831331 0.00705872
6.84277660 16.42967865 0.31921642
-0.00081581 0.00018497 -0.00037995
0.01706475 -0.00957856 -0.02750340
-8.80025569 9.12493337 12.44169828
-0.00085018 -0.00141505 0.00000418
-0.00420308 0.00131789 0.00106056
-10.82259019 10.94974522 11.39587766
0.00036169 -0.00063740 -0.00022772
-0.00303533 0.02427952 0.01036693
-10.10811678 0.41192341 -14.46765535
-0.00009457 -0.00001178 0.00021768
0.03524998 -0.01603994 0.00493813
-8.21657879 -1.53226020 -15.92792754
-0.00058547 0.00138197 -0.00087476
-0.00493303 0.02766612 0.03854853
-12.06506971 0.97579048 -6.85375752
0.00047667 0.00016215 0.00028562
0.01435892 0.02574122 0.00101175
-11.16065436 3.70455714 -5.84232362
0.00050892 0.00007908 -0.00030605
-0.00589313 0.02386227 0.02345184
-2.00096722 -6.48392049 14.76969239
0.00009468 0.00005555 0.00031984
0.00806728 0.00871280 0.00372039
-0.49250959 -5.78205094 17.32164599
-0.00022447 -0.00054930 0.00103288
0.00011925 -0.00169902 -0.02357039
-24.40397893 -0.27745652 -19.48575855
0.00130765 0.00032998 -0.00080677
-0.01081095 -0.00614255 -0.00997656
-25.83751642 0.48307374 -21.99424672
-0.00097025 -0.00065626 -0.00100184
-0.00599802 0.01911534 -0.01566867
9.81065586 7.93529784 6.28628058
0.00083126 -0.00143787 0.00044518
0.00277731 0.00075815 0.00630577
10.07767007 7.98773952 9.19703611
0.00017910 0.00023512 -0.00057122
-0.00454023 -0.00169575 -0.01074288
19.90343938 27.60509246 -3.81606289
0.00045537 0.00049114 0.00002607
-0.00139474 -0.00060218 0.00288141
20.47141653 30.35862553 -4.75262027
0.00038365 -0.00093848 -0.00047596
-0.00409703 0.00275520 0.00609881
6.01877383 -0.96832629 -7.35482948
0.00076036 -0.00030942 -0.00048175
-0.03330169 0.01352598 0.00030676
7.66554393 -3.35110981 -7.02214286
-0.00021293 -0.00031354 0.00027299
-0.01383888 -0.00325509 -0.00113259
-8.49784165 -2.27790370 12.44499502
0.00001538 -0.00057150 0.00070431
0.00172495 0.02294259 -0.02155534
-11.01629359 -3.47485831 13.56386162
-0.00025353 0.00039591 0.00037545
-0.01039797 0.01827763 -0.00872285
-0.90248426 -24.40032683 14.77665539
0.00020292 -0.00072214 -0.00096971
-0.01089882 0.01149180 -0.01027341
-3.01686909 -22.27325274 14.35224299
-0.00045897 -0.00041640 0.00045382
-0.00048198 -0.00410050 -0.00477202
-12.67581541 -8.26025430 -7.43423332
-0.00020033 -0.00020534 -0.00040359
-0.00923284 -0.00775335 0.01054027
-10.51087976 -7.06308616 -8.31533036
0.00006907 0.00081797 0.00155050
0.04583115 0.09222098 -0.02372892
-16.07354136 -10.49183918 -15.69881963
0.00043313 -0.00082073 0.00090141
0.00757226 0.03869518 0.00854967
-14.26159641 -8.02736398 -16.17045999
-0.00002824 0.00031256 0.00012704
-0.00110364 -0.00422605 -0.00034963
17.37753894 12.89130405 5.39311027
-0.00000185 -0.00011808 0.00027622
-0.00319521 0.00107571 -0.00043707
17.01797476 14.44612558 2.80128670
-0.00028495 -0.00020265 0.00017321
0.00499319 -0.00635099 0.00266348
18.26516284 -4.64348532 -14.88889561
-0.00037232 -0.00061893 0.00039752
-0.00217145 0.00785453 -0.00099469
20.73810269 -2.90625391 -15.43526930
-0.00034887 -0.00060818 0.00002444
-0.01822624 -0.03825873 0.01026747
-0.32328816 6.63722189 -13.79663790
0.00132259 -0.00033383 -0.00065208
-0.00562134 0.00979959 -0.00758309
-0.37655504 7.36743393 -16.63710547
-0.00083488 0.00115542 -0.00018988
0.00001737 0.01373272 0.02420174
0.59146252 0.70801146 -15.60477493
-0.00062330 0.00057114 -0.00003938
-0.00223028 0.01166659 0.00857567
2.31741860 -1.11552562 -16.95030267
0.00044648 -0.00062589 0.00039572
-0.00515039 0.00216394 -0.00459683
12.44252932 22.33813104 -22.36875111
-0.00076460 -0.00055260 -0.00080295
0.00908435 0.04878637 0.02151502
10.15936719 20.90332453 -23.37851319
-0.00005433 0.00008133 -0.00005563
0.01634500 0.00055185 0.00396222
-10.17493328 16.01289889 -17.37477617
-0.00101341 -0.00026567 0.00034757
0.01988125 0.01317649 -0.01683721
-10.92006932 15.79396786 -14.69460117
-0.00023354 0.00084715 0.00001898
0.00195288 0.00614628 0.02029892
3.38387521 18.76760975 11.52890490
0.00016396 0.00002328 0.00064127
0.03470259 -0.02985788 -0.02927940
4.75993092 18.39710302 8.84987515
0.00027849 -0.00005935 -0.00063838
0.00026967 -0.00683503 0.01281248
-4.01140285 -10.47539879 -3.29107114
-0.00048591 0.00026387 -0.00021076
0.04554827 -0.01139295 -0.02451879
-1.83868733 -11.23670388 -1.74362999
-0.00125315 0.00062980 -0.00021179
0.02057060 -0.00773381 0.01254021
0.04823824 -7.46495018 5.02946002
-0.00045685 0.00007332 0.00008877
-0.00518986 0.00870299 0.00777244
2.83592636 -8.46265076 5.06564947
-0.00015826 0.00020816 -0.00043861
-0.01458328 0.00757825 -0.01606966
7.75085382 1.89811231 8.50424403
-0.00017390 0.00024219 -0.00088432
0.00738786 0.00407843 0.00323805
9.69472806 4.05378818 8.09051171
-0.00024135 0.00091892 0.00113760
-0.00424165 -0.02591257 0.00191752
-8.24441324 -8.50169453 -4.18112991
-0.00084470 0.00027124 0.00031281
-0.01507521 0.01742165 -0.02931910
-8.09055568 -10.19821714 -2.08113045
-0.00063818 0.00004270 -0.00030197
0.01964799 0.01255073 -0.00264319
4.67588599 -13.42659173 -12.16714046
-0.00016106 0.00072757 -0.00060398
0.00883607 -0.01555735 0.00948499
2.34946443 -13.04468281 -13.91146261
-0.00049431 0.00057395 -0.00048477
-0.00458781 0.00015619 -0.00425558
1.42374207 -5.89504359 0.46608673
0.00061047 0.00056007 0.00001129
-0.00084106 0.02562822 -0.02252995
-0.35465748 -3.78698315 -0.36106768
-0.00036493 0.00005562 -0.00037377
0.00302437 -0.00103589 -0.00031992
17.36596241 3.27336191 25.70089902
-0.00031644 -0.00010060 0.00010583
-0.00144193 -0.00212986 0.00144387
16.69104276 3.59205404 28.49823187
0.00030994 0.00106634 -0.00104177
0.00198311 0.00478708 -0.01209718
-10.67944946 7.54311389 -3.39759212
0.00039448 0.00106860 0.00050220
0.00798787 -0.02555142 -0.01203862
-8.32397964 6.96778286 -5.09891429
-0.00029796 0.00033753 0.00023268
-0.01863513 -0.01464498 0.00333431
-6.24919447 15.90889758 -9.09715522
0.00041974 -0.00004355 -0.00022201
0.00139177 -0.00022875 -0.00819510
-4.54554140 14.42127779 -11.11621896
0.00065104 0.00004674 0.00009953
-0.00174804 0.00104571 0.00638429
2.74023405 11.06997859 -5.58548238
0.00012442 0.00044152 -0.00042847
-0.00236251 -0.01870403 0.01317792
1.42074015 13.30424945 -6.95389248
0.00059323 0.00031176 0.00040703
-0.01200632 0.00989173 0.00507553
-2.56544516 11.09436615 -14.04589524
0.00065679 -0.00095864 0.00045747
0.02471325 -0.01412937 -0.00417437
-5.16954342 10.73255300 -13.11571087
0.00018264 0.00005534 0.00010051
-0.01875541 -0.01447138 0.00660468
4.73741134 7.30109612 18.92198976
0.00035223 -0.00070402 -0.00086729
-0.00503016 0.00268326 -0.00787257
2.13820296 6.73856987 17.73845490
0.00045389 -0.00003358 -0.00009028
0.00138545 0.00593062 -0.00825388
-13.73807887 8.35213718 -8.96864304
-0.00148998 -0.00072070 -0.00046642
-0.01103234 0.00074676 -0.01485697
-15.99604534 8.39738574 -7.34997023
-0.00003301 -0.00038571 0.00044229
-0.01884299 -0.00217887 -0.00973113
5.27446783 10.33275450 0.76611043
-0.00017226 -0.00178827 0.00005382
-0.01499850 -0.00836021 -0.00545864
2.28607332 10.21222573 0.63582613
-0.00030438 -0.00107206 -0.00106644
-0.02183952 0.01177168 0.00381771
14.36817863 -23.77072521 -25.62081464
0.00003588 -0.00023382 -0.00019153
0.00869111 -0.00576338 -0.00771384
15.25800963 -24.94945261 -28.14056338
0.00036283 -0.00074836 0.00125493
-0.01090066 -0.00431642 -0.01348378
3.85296938 3.89639361 -0.13048829
-0.00008775 0.00096543 0.00164256
0.00897011 -0.00302459 -0.00020235
5.66037882 5.77417862 1.25934890
0.00062539 -0.00032813 0.00051666
-0.00138692 -0.02295522 -0.01999845
17.94897166 -3.66132704 -0.37558159
0.00066767 -0.00022071 0.00094503
-0.01253553 -0.01333462 0.01390457
16.06871035 -5.84623309 -1.18067896
-0.00015640 0.00070933 -0.00073702
0.02630610 0.00521036 0.02155500
-6.41496677 2.76552573 -1.83381613
-0.00050979 -0.00010767 0.00027079
-0.07306959 0.01703060 0.02697908
-4.93901067 1.35446244 -3.77164191
-0.00023463 -0.00027442 0.00008245
-0.00394522 -0.01177991 -0.00724354
2.54895604 2.99146385 -11.86429148
-0.00015944 0.00030912 -0.00133224
-0.02184356 -0.01220037 0.00379643
0.32855516 1.16207485 -10.84866517
-0.00052978 -0.00167230 -0.00020600
0.00224428 -0.00467168 0.01171135
16.86927335 7.92108854 -8.03618153
-0.00113158 0.00007435 -0.00056347
0.00763858 0.01124398 0.00379190
15.40507900 10.49564721 -6.50984361
-0.00065161 -0.00047823 0.00071765
0.02046198 0.01533894 -0.00105556
-7.33315012 1.07170305 11.15067221
-0.00016007 0.00123065 0.00045892
0.00799726 -0.00130273 0.00432180
-8.00420070 1.28703035 13.98113740
-0.00071449 0.00014756 0.00123230
-0.01089056 0.01256819 0.00803530
-2.56164555 -16.73225427 14.34811663
-0.00052259 -0.00011783 0.00112616
-0.00194419 0.00908674 -0.00634137
-4.71390941 -17.71973055 12.48091839
-0.00032004 -0.00158860 0.00029669
0.02122618 0.02409181 0.00911510
7.24493000 -6.14349749 -4.64443361
0.00075625 -0.00037582 -0.00030763
-0.00648460 -0.00430305 0.02447260
5.46694215 -7.77221450 -6.46794356
-0.00048463 0.00025065 0.00014990
-0.00530972 0.00344339 0.01545432
-2.86453455 -11.49152939 1.92649522
0.00014376 -0.00007027 -0.00051081
0.01399001 0.00102482 -0.00049714
-0.33269188 -10.07179954 1.83995437
-0.00000792 -0.00017927 -0.00034022
-0.00934851 -0.02486176 0.00192549
-14.71993353 -0.73435509 6.26499259
-0.00046335 -0.00010328 0.00008984
0.01420689 0.00970739 0.00655129
-15.65198014 -1.74819711 3.75584742
0.00052737 0.00064068 0.00123922
-0.00320700 -0.00067701 0.00060357
-9.56503984 4.48855731 -23.70766490
-0.00004920 -0.00068857 -0.00000329
0.00016744 -0.00486522 0.00759714
-9.02119975 4.42039766 -20.80560125
-0.00023153 0.00004654 -0.00125067
0.00379940 0.02332702 0.02861567
2.15913706 0.61011258 -3.11599953
-0.00048294 -0.00144732 0.00058636
-0.00387043 -0.01066581 -0.02655418
0.49348208 0.25039191 -0.53846569
0.00021332 -0.00020796 -0.00128874
0.03012236 0.01291676 -0.02749843
14.04850455 9.30549578 3.31374212
-0.00043002 -0.00014579 0.00008462
0.01552241 0.00941728 0.00737924
11.46723844 8.82112565 2.17924354
0.00046851 -0.00000336 -0.00040453
0.01766100 -0.00692928 0.03479960
5.38066565 -9.29128583 -10.56575001
-0.00008079 -0.00010333 -0.00005843
-0.00105810 0.00922807 -0.01087559
-12.96079437 10.39500247 21.29414589
0.00012870 -0.00003854 0.00008564
0.00979911 -0.00213201 -0.00473099
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06707305
0.32119759
427.97969019
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1877988102
ExchangeOperator: bisection time: 3.863 s
total exchange = -52.3801850759 (a.u.)
total exchange computation time: 3.4220390320 s
-154.2613072666
-931.38832843
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1877988102
ExchangeOperator: bisection time: 3.862 s
total exchange = -52.3799488243 (a.u.)
total exchange computation time: 3.4239780903 s
-154.2644359479
Anderson extrapolation: theta=1.3464640802 (1.3464640802)
-931.38860363
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1877988102
ExchangeOperator: bisection time: 3.866 s
total exchange = -52.3795773690 (a.u.)
total exchange computation time: 3.4218080044 s
-154.2688765402
Anderson extrapolation: theta=0.0544036061 (0.0544036061)
-931.38876846
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1877988102
ExchangeOperator: bisection time: 3.862 s
total exchange = -52.3795105847 (a.u.)
total exchange computation time: 3.4235839844 s
-154.2694024319
Anderson extrapolation: theta=2.0001742056 (2.0000000000)
-931.38877522
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1877988102
ExchangeOperator: bisection time: 3.865 s
total exchange = -52.3793610209 (a.u.)
total exchange computation time: 3.4220740795 s
-154.2705195612
Anderson extrapolation: theta=0.2350766052 (0.2350766052)
-931.38878280
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1877988102
ExchangeOperator: bisection time: 3.863 s
total exchange = -52.3793234281 (a.u.)
total exchange computation time: 3.4206440449 s
-154.2707543075
Anderson extrapolation: theta=1.8402109165 (1.8402109165)
-931.38878437
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1877988102
ExchangeOperator: bisection time: 3.866 s
total exchange = -52.3792722166 (a.u.)
total exchange computation time: 3.4252719879 s
-154.2710197240
Anderson extrapolation: theta=0.2860472330 (0.2860472330)
-931.38878630
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1877988102
ExchangeOperator: bisection time: 3.864 s
total exchange = -52.3792759555 (a.u.)
total exchange computation time: 3.4206531048 s
-154.2709356478
Anderson extrapolation: theta=1.3049656017 (1.3049656017)
-931.38878676
238.181482 29.954430 158.213622
-142.917151 489.725184 -806.359891
95.264331 519.679614 -648.146269
836.203193
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1877988102
ExchangeOperator: bisection time: 3.861 s
total exchange = -52.3792946096 (a.u.)
total exchange computation time: 3.4212539196 s
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1877988102
ExchangeOperator: bisection time: 3.861 s
total exchange = -52.3792946096 (a.u.)
total exchange computation time: 3.4215559959 s
[qbox] save md130.xml
SampleWriter: write time: 6.770 s
SampleWriter: file size: 1595163516
SampleWriter: aggregate write rate: 224.71 MB/s
[qbox] run 10 8
EnergyFunctional: np0v,np1v,np2v: 140 140 140
EnergyFunctional: vft->np012(): 2744000
|
reciprocal lattice vectors
0.283174 0.000000 0.000000
0.000000 0.283174 0.000000
0.000000 0.000000 0.283174
kpoint: 0.000000 0.000000 0.000000 weight: 1.000000
sdcontext: 256x16
basis size: 72247
c dimensions: 81152x215 (317x14 blocks)
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0709302326
ExchangeOperator: pair fraction: ispin=0: 0.1877988102
ExchangeOperator: bisection time: 3.839 s
total exchange = -52.3792946096 (a.u.)
total exchange computation time: 3.4308638573 s
679.00366046
-1083.80998541
89.71013070
-389.07995629
-174.83334197
78.34121689
551.60419304
0.00000000
-931.38878711
-8.66657040 -3.96983698 3.66303528
0.00011107 0.00001691 0.00011443
-0.03935878 0.01745791 0.00508595
-17.77447030 4.30179386 6.43720015
0.00026877 -0.00023491 -0.00019891
-0.00367229 -0.02527196 -0.03185684
-15.51953272 -0.91119758 0.33042360
0.00029564 0.00002629 -0.00003897
0.00967728 0.00397461 0.01096544
3.05636030 -20.56474161 15.46681890
-0.00030804 -0.00007606 -0.00017394
0.00295537 -0.01818313 0.00167314
7.79481740 16.01153763 -1.25589517
0.00033591 -0.00002268 0.00015894
-0.01515660 0.00209451 0.02049394
-9.96619352 9.43533039 11.01326322
-0.00026435 -0.00007021 -0.00014677
0.01236811 -0.03135502 -0.00960111
-8.34642278 -0.41353557 -14.32966441
-0.00009967 0.00011714 -0.00016128
-0.02767783 -0.01060126 -0.04101145
-10.79803440 2.38432607 -6.95803113
-0.00010353 -0.00015022 0.00005042
-0.01004772 -0.06269638 -0.03399751
-0.41412771 -5.72329650 15.44706873
-0.00026677 0.00003274 0.00026604
-0.00846152 -0.00272915 0.02474778
-25.78784105 -0.74081430 -20.66088225
-0.00023550 -0.00008308 0.00015881
0.02737541 -0.00249274 0.02480356
8.88192177 7.49363032 7.82000487
0.00005075 -0.00008073 -0.00018123
0.00982028 -0.00679948 -0.00026899
20.87710021 28.55279529 -5.03896605
0.00019110 -0.00029326 0.00007136
0.01141727 -0.01007549 0.00192250
7.68239353 -1.54771920 -7.27625085
-0.00012733 0.00009454 -0.00008760
0.05330255 -0.00960348 0.00279508
-9.21594196 -3.45513924 13.56264293
0.00024461 -0.00003087 0.00008601
0.00056490 -0.04799889 0.02893297
-1.24633539 -22.67677090 14.08064707
0.00016112 0.00011853 0.00031970
0.00393300 -0.01868451 0.01140543
-10.98384337 -8.64936840 -8.05299867
0.00012683 -0.00010841 0.00020062
-0.02726526 -0.07639852 0.01347885
-15.91484366 -8.59093888 -15.52271564
-0.00008710 -0.00002357 -0.00006429
-0.01205383 -0.03826106 -0.00564915
16.95892824 12.79232942 3.60072743
0.00044731 0.00020144 -0.00007297
-0.00196782 -0.00572939 -0.00734916
20.06969710 -4.62427570 -14.80796661
-0.00017710 0.00003210 -0.00019433
0.02186017 0.02413677 -0.01271705
-0.30956662 8.12419433 -14.91431409
0.00019448 -0.00024318 -0.00007271
-0.00763027 -0.02538752 -0.01497522
0.58550330 -0.43952147 -17.01442044
-0.00026149 0.00051528 -0.00012376
0.01294708 -0.01148915 0.00163699
12.02903920 20.84485515 -23.18424336
0.00051796 -0.00040686 -0.00001920
-0.03535286 -0.06254019 -0.03017483
-11.35136221 15.17937823 -16.31171503
-0.00017012 -0.00026638 -0.00009629
-0.03214993 -0.03381473 0.02097467
4.68295855 17.68872252 10.56129612
0.00029947 0.00018089 -0.00042220
-0.03516739 0.03075355 0.01706726
-2.15493266 -11.09958192 -3.54541558
0.00006662 -0.00005455 -0.00000230
-0.06271879 0.02214145 -0.00481521
1.34240585 -8.13305894 3.95051229
0.00030339 0.00004522 0.00048563
0.01679204 -0.00114876 0.00416150
9.55633295 2.15137858 8.29130590
-0.00017045 0.00033433 0.00008394
-0.00913507 0.03019999 -0.00384527
-6.95794019 -9.06021194 -3.09259744
-0.00007442 0.00040247 -0.00004676
-0.02430829 -0.03062583 0.03135608
3.81951601 -12.21870376 -13.18069889
-0.00011548 0.00016584 -0.00022818
-0.00795505 0.01355933 -0.01252876
1.26072248 -4.50473063 -0.83729883
0.00005111 -0.00000906 0.00028419
-0.00343449 -0.02589175 0.02305913
17.25657842 4.53355539 27.00802507
0.00037391 -0.00004473 -0.00014013
0.00250010 -0.00021317 0.00312120
-9.77783215 6.05365389 -4.19348588
-0.00029640 0.00006935 0.00063145
0.00411982 0.06209544 0.01644647
-4.72084135 14.93881092 -9.35437838
0.00031007 0.00000571 -0.00013984
0.00397698 -0.00059510 0.00852531
2.89279476 12.25900685 -6.91477378
-0.00026670 0.00021489 -0.00007368
0.02115160 0.01592127 -0.02111439
-4.06603293 12.01095855 -13.70620618
0.00011899 0.00032241 0.00012433
0.00043161 0.01817669 -0.00117069
3.84714161 7.33311254 17.29623642
-0.00005778 0.00006888 0.00010235
0.00241174 -0.00617181 0.01713045
-15.56972529 8.64137254 -9.13563025
-0.00009478 -0.00011312 -0.00001468
0.02537259 -0.00091998 0.02724563
3.77166274 9.25137430 0.62132584
0.00023765 0.00029106 0.00021949
0.03735600 -0.02291489 0.00091844
15.88703008 -24.08994088 -26.70030082
0.00006207 -0.00017678 -0.00009469
0.00280536 0.01025131 0.03146975
5.63718161 4.13777929 0.30785730
-0.00026589 -0.00004328 0.00027192
-0.00602872 0.02558092 0.02171419
17.31750495 -5.33617963 0.15729436
0.00017629 -0.00011592 -0.00031548
-0.01938782 -0.00269169 -0.02891153
-4.81127494 2.41563928 -2.30763733
0.00005791 0.00008660 0.00035757
0.08157248 -0.00158406 -0.01987639
0.73694440 2.56891387 -11.91747460
-0.00008468 0.00030169 -0.00017963
0.01130887 0.00762588 -0.01959512
15.41050752 8.84405959 -7.18789702
-0.00000189 -0.00004087 0.00035743
-0.02888801 -0.02994104 -0.00410985
-6.58346095 1.08307197 12.84141490
-0.00028235 0.00015932 -0.00008528
0.00604186 -0.00062733 -0.00975450
-3.60363745 -16.20754603 12.88027146
-0.00011863 0.00012101 -0.00014239
-0.02428371 -0.03878828 -0.00728858
6.95393676 -6.66869252 -6.35778377
-0.00021103 0.00041694 -0.00024962
0.00140359 -0.00477916 -0.02646005
-1.13206156 -11.70260437 1.22727536
-0.00016538 -0.00013533 -0.00039148
-0.00965288 0.02633795 0.01290765
-15.97414763 -1.80827797 5.59191208
0.00035771 -0.00004883 0.00042041
-0.01978758 -0.01428038 -0.00974148
-9.26396883 3.38065472 -22.21507912
-0.00013915 -0.00013729 -0.00021986
-0.00451376 -0.01595753 -0.02972625
1.93546409 1.09738816 -1.41946901
-0.00029726 -0.00004968 -0.00008793
-0.02506625 0.00668033 0.04930468
12.56565331 8.37880445 3.73207213
0.00010740 -0.00028746 -0.00024376
-0.04112527 -0.00337035 -0.04204651
-7.14412728 -4.48194685 2.91094639
0.00118062 -0.00015614 -0.00090743
0.02617659 -0.00231330 -0.02972464
-9.99277119 -3.78862221 2.34215431
0.00124878 0.00067385 -0.00005365
0.02729010 0.00708090 0.00554031
-16.40935942 5.42176281 6.73353354
-0.00020000 -0.00064002 -0.00000459
0.01688850 0.02030127 0.00834479
-17.35864154 3.63721934 4.72014002
-0.00073223 0.00004448 -0.00024734
-0.01054008 0.00712315 0.02537877
-15.96744792 0.92869023 0.54434848
0.00065066 -0.00077533 -0.00067278
-0.00194574 -0.02370830 -0.01401510
-16.73301390 -1.87838100 -0.65216159
-0.00106816 -0.00015071 -0.00152939
-0.00277353 0.01888715 0.00471535
1.28922998 -21.11208970 15.11473563
-0.00046843 0.00129713 0.00077610
0.00952266 0.01786041 0.00354358
3.23683580 -18.85022801 16.06291230
-0.00096538 0.00036873 -0.00000039
-0.00746173 0.00013570 -0.00490398
8.05673194 14.15984991 -1.23973180
-0.00000751 0.00025822 0.00011509
0.00133207 0.00647103 0.00728175
6.83106244 16.43215973 0.31267445
-0.00074453 0.00014520 -0.00049309
0.01782539 -0.00989258 -0.02788091
-8.81313719 9.10374795 12.44179354
-0.00086754 -0.00140807 0.00000817
-0.00429489 0.00209974 0.00089013
-10.81725786 10.94092829 11.39277955
0.00034295 -0.00052629 -0.00018193
-0.00613602 0.03010704 0.01204795
-10.10845515 0.41125524 -14.46423886
0.00004849 -0.00007605 0.00023814
0.03478011 -0.01542264 0.00507705
-8.22551205 -1.51068292 -15.93986771
-0.00060385 0.00149184 -0.00071840
-0.00406491 0.02611777 0.03799303
-12.05747967 0.97901146 -6.84944228
0.00052964 0.00026214 0.00029032
0.01157039 0.02320617 0.00129322
-11.15320118 3.70647462 -5.84619573
0.00048409 0.00017873 -0.00020817
-0.00625898 0.02491305 0.02446218
-1.99929988 -6.48282028 14.77460394
0.00012387 0.00008906 0.00033346
0.00622181 0.00769241 0.00295082
-0.49587297 -5.79034253 17.33641691
-0.00022364 -0.00055532 0.00092707
0.00028504 -0.00124867 -0.02822299
-24.38469539 -0.27269508 -19.49816582
0.00125722 0.00030327 -0.00085175
-0.01387759 -0.00692962 -0.01204333
-25.85225394 0.47381561 -22.00975451
-0.00099400 -0.00058308 -0.00105954
-0.00563020 0.01670701 -0.01257573
9.82320982 7.91375302 6.29315150
0.00084456 -0.00143297 0.00046383
0.00373571 0.00163959 0.00282255
10.08021746 7.99121435 9.18813858
0.00016091 0.00022855 -0.00061209
-0.00436490 -0.00152137 -0.00926259
19.91022725 27.61244106 -3.81558348
0.00044519 0.00048352 0.00004378
-0.00358972 -0.00312456 0.00578690
20.47704567 30.34463270 -4.75957285
0.00036532 -0.00091851 -0.00045026
-0.00487437 0.00702453 0.00648204
6.02915876 -0.97255316 -7.36204640
0.00060765 -0.00024833 -0.00048181
-0.04144889 0.01638014 -0.00033367
7.66192597 -3.35591262 -7.01808279
-0.00026946 -0.00031976 0.00026717
-0.01383457 0.00020982 -0.00171383
-8.49755803 -2.28577314 12.45489920
0.00002877 -0.00046729 0.00060659
0.00482744 0.02806914 -0.02627874
-11.02041516 -3.46835951 13.56922612
-0.00028701 0.00047080 0.00033958
-0.00599039 0.01837851 -0.00883681
-0.89977449 -24.41080679 14.76179489
0.00015821 -0.00067197 -0.00101155
-0.01098331 0.01306655 -0.01020757
-3.02376844 -22.27962439 14.35890413
-0.00045375 -0.00043470 0.00043269
0.00303955 -0.00485784 -0.00557313
-12.67910335 -8.26357194 -7.43996423
-0.00023671 -0.00023787 -0.00036145
-0.00857505 -0.00816935 0.01008959
-10.50843926 -7.04799070 -8.29279999
0.00025024 0.00117442 0.00145892
0.04284956 0.08226679 -0.02110163
-16.06681241 -10.50296443 -15.68503652
0.00046401 -0.00065583 0.00093567
0.00754502 0.04202496 0.00822288
-14.26205380 -8.02280501 -16.16856512
-0.00003375 0.00029420 0.00012589
-0.00159413 -0.00476106 -0.00021064
17.37741326 12.88956581 5.39724016
-0.00001533 -0.00011336 0.00027151
-0.00340322 0.00123452 -0.00186732
17.01385347 14.44289116 2.80396645
-0.00026423 -0.00022202 0.00018155
0.00514860 -0.00312802 0.00142000
18.25951142 -4.65252857 -14.88296335
-0.00037791 -0.00058586 0.00039322
-0.00056398 0.00833397 -0.00110784
20.73231119 -2.91654892 -15.43458809
-0.00042218 -0.00075741 0.00006401
-0.01766263 -0.03479267 0.00910301
-0.30362157 6.63251481 -13.80665151
0.00129898 -0.00029754 -0.00068101
-0.00593633 0.00796304 -0.00657653
-0.38907763 7.38518603 -16.63921212
-0.00083453 0.00120801 -0.00009585
0.00015248 0.01200876 0.02182952
0.58204469 0.71693602 -15.60510282
-0.00063143 0.00061711 -0.00000570
-0.00174939 0.01083651 0.00790759
2.32395803 -1.12484758 -16.94450773
0.00041141 -0.00061021 0.00037716
-0.01202063 0.00550735 -0.00448678
12.43133865 22.33133705 -22.38013607
-0.00072229 -0.00034093 -0.00070805
0.01162727 0.05482559 0.02493955
10.15905317 20.90456135 -23.37922622
0.00001868 0.00008105 -0.00003951
0.01939087 -0.00068593 0.00392951
-10.18952525 16.00931762 -17.37007863
-0.00092374 -0.00020584 0.00026952
0.02401660 0.01610800 -0.02136633
-10.92351263 15.80686351 -14.69369446
-0.00022825 0.00086901 0.00009365
0.00063713 0.00455055 0.01625172
3.38739804 18.76704408 11.53762667
0.00030866 -0.00010003 0.00051721
0.03612822 -0.03050589 -0.03144477
4.76411658 18.39600329 8.84069214
0.00027847 -0.00008666 -0.00058421
-0.00028083 -0.00653170 0.01370377
-4.01729580 -10.47178986 -3.29498387
-0.00029622 0.00021600 -0.00031249
0.04730689 -0.01204125 -0.02527813
-1.85685430 -11.22749389 -1.74642263
-0.00116621 0.00059701 -0.00015462
0.02198954 -0.00831783 0.01544524
0.04122639 -7.46358369 5.03102981
-0.00047292 0.00010655 0.00011804
-0.00267673 0.00756217 0.00655555
2.83310559 -8.45929616 5.05857785
-0.00020964 0.00023727 -0.00049623
-0.01056978 0.00667351 -0.01213426
7.74847170 1.90187007 8.49107853
-0.00014546 0.00025863 -0.00087074
0.00653398 0.00397220 0.00340751
9.69097783 4.06677800 8.10763446
-0.00025895 0.00080867 0.00114491
-0.00437525 -0.02805811 0.00166116
-8.25754566 -8.49709205 -4.17733617
-0.00090130 0.00034106 0.00019604
-0.01263427 0.01675511 -0.02784055
-8.09952633 -10.19719202 -2.08574094
-0.00055448 0.00009603 -0.00031364
0.02132583 0.01355406 -0.00307196
4.67374086 -13.41615495 -12.17590956
-0.00012100 0.00065628 -0.00055980
0.01077482 -0.01933930 0.01214052
2.34190922 -13.03606875 -13.91886461
-0.00050994 0.00057521 -0.00050055
-0.00306551 0.00046018 -0.00346668
1.43287334 -5.88585717 0.46556566
0.00060622 0.00065997 -0.00007576
-0.00123662 0.02327372 -0.02008000
-0.36003874 -3.78618053 -0.36668397
-0.00034919 0.00004919 -0.00037502
0.00467994 -0.00211342 -0.00029352
17.36117157 3.27178761 25.70253075
-0.00032180 -0.00011091 0.00010932
-0.00117785 -0.00291342 0.00026416
16.69575268 3.60819576 28.48223462
0.00031224 0.00107643 -0.00107486
-0.00086022 0.00015597 -0.00410112
-10.67328744 7.55835989 -3.39042798
0.00042686 0.00096019 0.00045267
0.00785882 -0.02751678 -0.01220898
-8.32902004 6.97239708 -5.09532195
-0.00037484 0.00027529 0.00024694
-0.01900106 -0.01582390 0.00364552
-6.24285568 15.90823731 -9.10073654
0.00042372 -0.00004363 -0.00025553
0.00055297 0.00018934 -0.00821078
-4.53582938 14.42201092 -11.11453042
0.00064378 0.00005013 0.00012252
-0.00180405 0.00061390 0.00487066
2.74202798 11.07602829 -5.59150565
0.00011398 0.00036036 -0.00036908
-0.00274971 -0.02102699 0.01589467
1.42927069 13.30922897 -6.94763156
0.00053545 0.00035783 0.00042752
-0.01627658 0.01266010 0.00495631
-2.55483605 11.07955363 -14.03916112
0.00074271 -0.00100643 0.00044345
0.01734644 -0.00926467 -0.00268619
-5.16737859 10.73293958 -13.11400089
0.00010703 -0.00000103 0.00012677
-0.01825572 -0.01311727 0.00625120
4.74254065 7.29061809 18.90873922
0.00033569 -0.00069320 -0.00089111
-0.00306654 0.00261161 -0.00378911
2.14505380 6.73824786 17.73684776
0.00045408 -0.00001126 -0.00012209
-0.00129287 0.00499895 -0.00731893
-13.76076659 8.34134960 -8.97609462
-0.00151620 -0.00072032 -0.00052593
-0.00180199 -0.00056260 -0.01427080
-15.99711783 8.39153329 -7.34363406
-0.00010902 -0.00039349 0.00039625
-0.01836549 -0.00162816 -0.01280538
5.27142439 10.30567432 0.76675040
-0.00021852 -0.00180664 0.00003328
-0.00764727 -0.00063357 -0.00459465
2.28083839 10.19650552 0.61994654
-0.00039562 -0.00101965 -0.00105106
-0.02282541 0.01388667 0.00371114
14.36898322 -23.77440914 -25.62392401
0.00007126 -0.00025682 -0.00022174
0.00862586 -0.00549242 -0.00707130
15.26311806 -24.96081034 -28.12215256
0.00031376 -0.00077385 0.00118648
-0.01312199 -0.00815680 -0.02002655
3.85192803 3.91078232 -0.10585609
-0.00005878 0.00095145 0.00163895
0.00520911 -0.00381538 -0.00156621
5.66971712 5.76855327 1.26648603
0.00062022 -0.00042003 0.00043561
-0.00114321 -0.02202967 -0.01967814
17.95860260 -3.66504624 -0.36098008
0.00061739 -0.00027082 0.00100007
-0.01207850 -0.01119761 0.01304020
16.06717047 -5.83543347 -1.19107374
-0.00004680 0.00073128 -0.00064672
0.02734566 0.00553188 0.02264955
-6.42485268 2.76443252 -1.82892763
-0.00079545 -0.00004099 0.00037759
-0.06676542 0.01560869 0.02530211
-4.94265103 1.34998513 -3.77062716
-0.00024967 -0.00031784 0.00005883
-0.00341483 -0.00947510 -0.00431507
2.54589511 2.99572679 -11.88415871
-0.00024627 0.00025824 -0.00131542
-0.02066240 -0.01270519 0.00443798
0.32067724 1.13684718 -10.85139629
-0.00051369 -0.00167121 -0.00017252
0.00563232 0.00520494 0.00467722
16.85253370 7.92254834 -8.04451744
-0.00109475 0.00011834 -0.00054941
0.01038969 0.01028980 0.00309322
15.39593183 10.48894372 -6.49911119
-0.00056745 -0.00041125 0.00071399
0.02073474 0.01745247 -0.00073602
-7.33530616 1.09012294 11.15768840
-0.00013145 0.00122482 0.00047016
0.00601662 -0.00155104 0.00118413
-8.01525183 1.28962881 13.99986820
-0.00074725 0.00019727 0.00125370
-0.00514580 0.01176752 0.00244013
-2.56954397 -16.73374321 14.36481478
-0.00053513 -0.00007680 0.00109211
-0.00419528 0.01099796 -0.01033061
-4.71805957 -17.74282123 12.48564809
-0.00022658 -0.00147885 0.00033564
0.02452194 0.02963023 0.00995018
7.25607497 -6.14926669 -4.64829811
0.00072997 -0.00039305 -0.00020604
-0.00637767 -0.00412899 0.02525381
5.45951003 -7.76834916 -6.46522153
-0.00050297 0.00026684 0.00021284
-0.00366861 0.00448037 0.01535877
-2.86194941 -11.49255203 1.91881783
0.00019693 -0.00006587 -0.00051108
0.01203380 0.00112910 0.00036338
-0.33309712 -10.07525041 1.83491003
-0.00004599 -0.00028092 -0.00033248
-0.00928934 -0.02489933 0.00186444
-14.72644846 -0.73560685 6.26654090
-0.00039670 -0.00005591 0.00012327
0.01841873 0.01347890 0.00981311
-15.64416792 -1.73860764 3.77445426
0.00051469 0.00063654 0.00123140
-0.00299776 -0.00134916 -0.00443447
-9.56577272 4.47807970 -23.70748150
-0.00005009 -0.00070466 0.00002245
-0.00060440 -0.00301405 0.00500426
-9.02455634 4.42181051 -20.82348450
-0.00021409 0.00014913 -0.00112284
0.00473947 0.02689250 0.03396110
2.15177430 0.58807600 -3.10801788
-0.00049617 -0.00149071 0.00047402
-0.00260404 -0.01057658 -0.02843338
0.49760496 0.24766828 -0.55863945
0.00032738 -0.00015947 -0.00139265
0.02570917 0.01082302 -0.02336702
14.04252988 9.30359756 3.31523748
-0.00035984 -0.00010364 0.00011379
0.01883301 0.01121160 0.00690246
11.47480728 8.82086287 2.17424193
0.00053900 -0.00003210 -0.00026253
0.01684451 -0.00713913 0.03471125
5.37945098 -9.29281108 -10.56665569
-0.00008116 -0.00010000 -0.00006233
-0.00099676 0.00937839 -0.01088254
-12.95884684 10.39442062 21.29542233
0.00013098 -0.00003905 0.00008453
0.00989277 -0.00220480 -0.00485551
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06709448
0.32169262
428.63929273
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1883180097
ExchangeOperator: bisection time: 3.320 s
total exchange = -52.3875629693 (a.u.)
total exchange computation time: 3.3573729992 s
-154.2943920169
-931.38920534
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1883180097
ExchangeOperator: bisection time: 3.321 s
total exchange = -52.3872144144 (a.u.)
total exchange computation time: 3.3591380119 s
-154.2982139872
Anderson extrapolation: theta=1.3436263217 (1.3436263217)
-931.38947564
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1883180097
ExchangeOperator: bisection time: 3.319 s
total exchange = -52.3866638601 (a.u.)
total exchange computation time: 3.3561170101 s
-154.3037534061
Anderson extrapolation: theta=0.0512964740 (0.0512964740)
-931.38963606
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1883180097
ExchangeOperator: bisection time: 3.321 s
total exchange = -52.3865655766 (a.u.)
total exchange computation time: 3.3580391407 s
-154.3044618713
Anderson extrapolation: theta=1.9019750805 (1.9019750805)
-931.38964195
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1883180097
ExchangeOperator: bisection time: 3.321 s
total exchange = -52.3863497860 (a.u.)
total exchange computation time: 3.3564748764 s
-154.3059460475
Anderson extrapolation: theta=0.2208444721 (0.2208444721)
-931.38964795
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1883180097
ExchangeOperator: bisection time: 3.320 s
total exchange = -52.3862895573 (a.u.)
total exchange computation time: 3.3577661514 s
-154.3062992622
Anderson extrapolation: theta=1.8720752962 (1.8720752962)
-931.38964909
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1883180097
ExchangeOperator: bisection time: 3.321 s
total exchange = -52.3861905826 (a.u.)
total exchange computation time: 3.3561129570 s
-154.3068104295
Anderson extrapolation: theta=0.2877759301 (0.2877759301)
-931.38965048
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1883180097
ExchangeOperator: bisection time: 3.319 s
total exchange = -52.3861780983 (a.u.)
total exchange computation time: 3.3569769859 s
-154.3068041883
Anderson extrapolation: theta=1.2962930970 (1.2962930970)
-931.38965081
238.164239 29.899059 158.270385
-142.960121 489.718334 -806.390786
95.204118 519.617393 -648.120401
836.137616
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0710755814
ExchangeOperator: pair fraction: ispin=0: 0.1883180097
ExchangeOperator: bisection time: 3.319 s
total exchange = -52.3861755618 (a.u.)
total exchange computation time: 3.3585219383 s
679.10466387
-1084.03424253
89.70448042
-388.92716223
-174.85121502
78.46656826
551.60419304
0.00000000
-931.38965104
-8.66505621 -3.96951606 3.66477136
0.00009447 0.00002483 0.00011622
-0.02516764 0.01336322 0.00186670
-17.77045292 4.29817277 6.43409369
0.00026575 -0.00024845 -0.00021494
-0.00805573 -0.02737672 -0.03048525
-15.51506087 -0.91078787 0.32988129
0.00029873 0.00002541 -0.00003539
0.00237620 -0.00740574 0.00295626
3.05175111 -20.56595259 15.46421623
-0.00030617 -0.00008408 -0.00017260
0.00432451 -0.01299942 0.00353745
7.79979755 16.01120553 -1.25343197
0.00032800 -0.00002107 0.00016934
-0.01561095 0.00416580 0.01993459
-9.97011112 9.43415626 11.01102468
-0.00025726 -0.00008773 -0.00015202
0.01523057 -0.03678494 -0.01083319
-8.34802465 -0.41181944 -14.33224179
-0.00011382 0.00011193 -0.00018208
-0.02734084 -0.00964845 -0.03987251
-10.79962616 2.38183097 -6.95740590
-0.00010780 -0.00018150 0.00003296
-0.00654541 -0.05895093 -0.03390555
-0.41816191 -5.72281590 15.45115483
-0.00027059 0.00003152 0.00027993
-0.00638674 -0.00201590 0.02926557
-25.79126800 -0.74207006 -20.65840436
-0.00022084 -0.00008347 0.00017110
0.02966013 0.00096482 0.02296764
8.88272082 7.49239317 7.81728536
0.00005546 -0.00008443 -0.00018089
0.00850029 -0.00759029 0.00158069
20.88001071 28.54835756 -5.03788818
0.00019766 -0.00029892 0.00007153
0.01410615 -0.01194449 -0.00128328
7.68068925 -1.54633810 -7.27755403
-0.00009823 0.00008814 -0.00008587
0.05983623 -0.01529083 0.00391349
-9.21227062 -3.45578743 13.56404475
0.00024303 -0.00005659 0.00010190
-0.00672087 -0.05202454 0.03284846
-1.24390338 -22.67506505 14.08548657
0.00016218 0.00010879 0.00032567
0.00017569 -0.01917797 0.01180629
-10.98204603 -8.65128919 -8.04993735
0.00011373 -0.00014394 0.00020691
-0.02368809 -0.06177377 0.01098780
-15.91619668 -8.59144001 -15.52370178
-0.00009315 -0.00004369 -0.00006714
-0.01148609 -0.03997920 -0.00544172
16.96563035 12.79532885 3.59960459
0.00044636 0.00019754 -0.00007599
-0.00172796 -0.00942156 -0.00442883
20.06712485 -4.62370116 -14.81093059
-0.00016660 0.00004328 -0.00020044
0.01898575 0.01936401 -0.01104659
-0.30667889 8.12044866 -14.91546248
0.00019056 -0.00025521 -0.00007993
-0.00760092 -0.02136203 -0.01311015
0.58163087 -0.43183656 -17.01627052
-0.00025334 0.00050883 -0.00012272
0.01873529 -0.01358128 0.00240310
12.03667226 20.83851105 -23.18464771
0.00049871 -0.00043962 -0.00003517
-0.03949201 -0.06486650 -0.03194242
-11.35403799 15.17525203 -16.31307845
-0.00018704 -0.00028386 -0.00008347
-0.03364028 -0.03413786 0.02888117
4.68731501 17.69155453 10.55502894
0.00028135 0.00019659 -0.00041313
-0.03529849 0.03029631 0.01821562
-2.15417531 -11.10031472 -3.54546872
0.00003385 -0.00004291 -0.00000534
-0.06471024 0.02309716 -0.00698144
1.34702143 -8.13238510 3.95781278
0.00031003 0.00004514 0.00048698
0.00905613 0.00085694 0.00107242
9.55374091 2.15650998 8.29255012
-0.00017490 0.00035025 0.00008201
-0.00817369 0.03172848 -0.00366230
-6.95915023 -9.05429300 -3.09317791
-0.00008808 0.00038681 -0.00003120
-0.02882174 -0.03027171 0.02916874
3.81775318 -12.21616379 -13.18416985
-0.00012034 0.00017349 -0.00023537
-0.01097594 0.01615418 -0.01545243
1.26147584 -4.50496646 -0.83294710
0.00004902 -0.00002135 0.00029523
-0.00470235 -0.02187024 0.01988774
17.26219677 4.53288365 27.00593511
0.00037598 -0.00004338 -0.00014046
0.00553812 0.00547215 -0.00438774
-9.78226220 6.05493369 -4.18395063
-0.00029412 0.00010177 0.00063965
0.00471833 0.06395271 0.01542232
-4.71617491 14.93889424 -9.35644309
0.00031232 0.00000541 -0.00013503
0.00475131 -0.00056220 0.01016466
2.88887585 12.26229156 -6.91596046
-0.00025480 0.00022285 -0.00008500
0.02512154 0.01506123 -0.02291210
-4.06424639 12.01586482 -13.70434578
0.00012087 0.00032994 0.00012346
0.00688799 0.01109807 -0.00221561
3.84628421 7.33412200 17.29783776
-0.00005631 0.00006603 0.00010983
0.00330744 -0.00492035 0.01194880
-15.57104911 8.63967222 -9.13574532
-0.00008448 -0.00011329 -0.00000017
0.01467455 0.00025462 0.02916973
3.77537159 9.25565179 0.62462180
0.00025452 0.00027689 0.00021980
0.02823041 -0.03219854 0.00027375
15.88797195 -24.09255308 -26.70159974
0.00006413 -0.00017064 -0.00007724
0.00521933 0.01363016 0.03639896
5.63316993 4.13722872 0.31201989
-0.00026800 -0.00003023 0.00028321
-0.00217237 0.02516800 0.02219927
17.32007448 -5.33792885 0.15245062
0.00016602 -0.00011790 -0.00033015
-0.02054867 -0.00501408 -0.02813674
-4.81009158 2.41693220 -2.30235043
0.00009733 0.00008565 0.00034721
0.07171910 -0.00212421 -0.02041438
0.73571778 2.57346857 -11.92024471
-0.00008015 0.00030331 -0.00018819
0.00632022 -0.00131245 -0.01366416
15.41036771 8.84333107 -7.18255138
-0.00001746 -0.00005644 0.00035554
-0.03166321 -0.03062723 -0.00325279
-6.58767290 1.08545943 12.84009804
-0.00028012 0.00015926 -0.00008802
0.00262982 0.00038388 -0.00087544
-3.60551055 -16.20588044 12.87810752
-0.00013134 0.00009948 -0.00014535
-0.02513574 -0.04495769 -0.00422194
6.95077673 -6.66245691 -6.36163008
-0.00021073 0.00041422 -0.00026315
-0.00025059 -0.00578007 -0.02616947
-1.13457949 -11.70453279 1.22145302
-0.00016973 -0.00012192 -0.00038497
-0.00727071 0.02583634 0.01240876
-15.96885832 -1.80906552 5.59818071
0.00034651 -0.00005693 0.00041597
-0.02375278 -0.01720571 -0.00755339
-9.26607347 3.37853388 -22.21849166
-0.00014151 -0.00014666 -0.00023539
-0.00465834 -0.02051416 -0.03067397
1.93090857 1.09666876 -1.42059779
-0.00030905 -0.00004570 -0.00006367
-0.02081401 0.00879354 0.04504153
12.56710574 8.37447951 3.72825350
0.00008591 -0.00028959 -0.00026507
-0.04244502 -0.00488436 -0.04081868
-7.12561589 -4.48435981 2.89642416
0.00126550 -0.00015802 -0.00101663
0.01537664 0.00139178 -0.02372994
-9.97320327 -3.77829751 2.34151938
0.00135278 0.00070313 -0.00003624
0.02361768 0.00725320 0.00298243
-16.41184186 5.41278454 6.73372042
-0.00012405 -0.00055181 0.00003003
0.02029014 0.02288116 0.00860090
-17.36994803 3.63810488 4.71720767
-0.00077334 0.00007260 -0.00014694
-0.00958191 0.00663934 0.02376361
-15.95774771 0.91633377 0.53382731
0.00063992 -0.00086159 -0.00072827
-0.00330828 -0.01851449 -0.01314703
-16.74912130 -1.88006282 -0.67495799
-0.00106169 -0.00006105 -0.00149565
0.00594208 0.02500159 0.01180035
1.28249537 -21.09208546 15.12648570
-0.00043294 0.00136568 0.00078842
0.00784981 0.01569698 0.00248903
3.22212638 -18.84469287 16.06275620
-0.00099407 0.00036281 -0.00002215
-0.00658205 -0.00303660 -0.00575020
8.05666004 14.16392155 -1.23778237
-0.00000161 0.00028050 0.00014520
0.00155850 0.00443111 0.00745986
6.82044072 16.43403453 0.30442377
-0.00067107 0.00010465 -0.00060629
0.01813270 -0.00995645 -0.02753158
-8.82628191 9.08269121 12.44194336
-0.00088529 -0.00139793 0.00001138
-0.00439551 0.00286610 0.00068338
-10.81230159 10.93395650 11.39041982
0.00031267 -0.00039324 -0.00012969
-0.00868659 0.03502401 0.01352324
-10.10666199 0.40964188 -14.46051122
0.00018823 -0.00013716 0.00025909
0.03361983 -0.01449151 0.00518113
-8.23469444 -1.48750499 -15.94947944
-0.00061852 0.00159437 -0.00056588
-0.00311608 0.02406909 0.03666340
-12.04918052 0.98365467 -6.84504778
0.00057002 0.00035027 0.00029630
0.00819723 0.01993320 0.00163001
-11.14613159 3.70991893 -5.84856864
0.00045860 0.00028013 -0.00010838
-0.00621845 0.02472638 0.02438586
-1.99725124 -6.48124863 14.77969632
0.00014509 0.00011818 0.00034374
0.00416550 0.00655916 0.00207837
-0.49921888 -5.79871064 17.34945814
-0.00022222 -0.00055948 0.00080412
0.00041052 -0.00078513 -0.03196486
-24.36626235 -0.26835833 -19.51131117
0.00119502 0.00027362 -0.00090430
-0.01656994 -0.00758647 -0.01368004
-25.86733651 0.46558139 -22.02603302
-0.00101609 -0.00052053 -0.00110353
-0.00518188 0.01390977 -0.00895846
9.83599273 7.89230869 6.30019542
0.00086175 -0.00142466 0.00046834
0.00467574 0.00242764 -0.00061295
10.08249735 7.99459595 9.17867338
0.00014369 0.00022285 -0.00064649
-0.00406494 -0.00126811 -0.00757415
19.91679513 27.61959816 -3.81474941
0.00042616 0.00046572 0.00007324
-0.00572547 -0.00558833 0.00863248
20.48237608 30.33107037 -4.76612816
0.00034388 -0.00088117 -0.00042312
-0.00562123 0.01125022 0.00680394
6.03700345 -0.97577616 -7.36928377
0.00042508 -0.00017672 -0.00048442
-0.04792074 0.01867230 -0.00094476
7.65746015 -3.36070257 -7.01412775
-0.00032592 -0.00031220 0.00025902
-0.01380162 0.00348953 -0.00227545
-8.49697855 -2.29192233 12.46319286
0.00005387 -0.00034405 0.00049146
0.00745707 0.03225423 -0.03007845
-11.02490385 -3.46073436 13.57404905
-0.00030248 0.00054599 0.00030335
-0.00158447 0.01842903 -0.00889865
-0.89773784 -24.42048594 14.74630880
0.00011339 -0.00061600 -0.00105278
-0.01095992 0.01433244 -0.00997230
-3.03048151 -22.28629375 14.36522371
-0.00043449 -0.00045589 0.00040832
0.00638554 -0.00551276 -0.00635875
-12.68291682 -8.26739025 -7.44507679
-0.00026976 -0.00027174 -0.00032140
-0.00760285 -0.00841373 0.00951565
-10.50337268 -7.02785342 -8.27156285
0.00041617 0.00148092 0.00137883
0.03837662 0.06776515 -0.01810014
-16.05962106 -10.51151413 -15.67074946
0.00049451 -0.00047946 0.00096829
0.00738701 0.04430834 0.00774322
-14.26260889 -8.01853783 -16.16668316
-0.00004123 0.00027376 0.00012536
-0.00206707 -0.00524873 -0.00005114
17.37707901 12.88790322 5.40125561
-0.00002961 -0.00010801 0.00026109
-0.00358791 0.00138410 -0.00323546
17.01004771 14.43946503 2.80673322
-0.00024300 -0.00022793 0.00018466
0.00524698 0.00023547 0.00009967
18.25382545 -4.66106105 -14.87709899
-0.00037663 -0.00055090 0.00038847
0.00119324 0.00877989 -0.00121738
20.72543723 -2.92897623 -15.43334899
-0.00049234 -0.00089050 0.00009814
-0.01667898 -0.03035414 0.00760229
-0.28431880 6.62829574 -13.81706818
0.00127417 -0.00026922 -0.00070554
-0.00620843 0.00589775 -0.00543209
-0.40159089 7.40367410 -16.63998092
-0.00083376 0.00125309 -0.00001280
0.00022340 0.01005991 0.01882177
0.57251965 0.72652471 -15.60494608
-0.00063756 0.00065907 0.00002457
-0.00125094 0.00970386 0.00691018
2.32976076 -1.13383202 -16.93898777
0.00034977 -0.00058130 0.00035902
-0.01815256 0.00864723 -0.00439204
12.42086057 22.32790311 -22.38999259
-0.00067121 -0.00010957 -0.00060206
0.01337593 0.05842571 0.02694332
10.15992754 20.90575615 -23.37969843
0.00010266 0.00007566 -0.00002371
0.02171999 -0.00195529 0.00380624
-10.20264533 16.00672355 -17.36669056
-0.00081880 -0.00013502 0.00017455
0.02734799 0.01855877 -0.02512013
-10.92691689 15.82003804 -14.69179174
-0.00022851 0.00088383 0.00015085
-0.00076411 0.00270831 0.01174751
3.39313503 18.76460882 11.54442130
0.00045745 -0.00022457 0.00038568
0.03670584 -0.03045924 -0.03294211
4.76828503 18.39450325 8.83234898
0.00027631 -0.00011249 -0.00052716
-0.00077695 -0.00611480 0.01422036
-4.02028949 -10.46891890 -3.30044579
-0.00010127 0.00016608 -0.00041684
0.04812124 -0.01239449 -0.02580315
-1.87367362 -11.21879367 -1.74826870
-0.00107401 0.00056206 -0.00008686
0.02314343 -0.00878823 0.01772623
0.03405050 -7.46175375 5.03300137
-0.00047822 0.00013490 0.00014203
0.00008617 0.00631447 0.00518385
2.82963704 -8.45553258 5.05076257
-0.00024331 0.00026240 -0.00053685
-0.00590838 0.00562561 -0.00774749
7.74649002 1.90587127 8.47812185
-0.00012085 0.00027460 -0.00085645
0.00551380 0.00384499 0.00358600
9.68695945 4.07804825 8.12485902
-0.00027696 0.00069088 0.00115101
-0.00443850 -0.02959963 0.00132255
-8.27145238 -8.49146272 -4.17524867
-0.00094628 0.00040727 0.00008692
-0.00938096 0.01565441 -0.02557730
-8.10719000 -10.19533622 -2.09053969
-0.00046486 0.00015271 -0.00032648
0.02254019 0.01418865 -0.00321440
4.67225608 -13.40690341 -12.18393461
-0.00007385 0.00057078 -0.00050577
0.01230370 -0.02251472 0.01431059
2.33416613 -13.02742649 -13.92647907
-0.00051915 0.00057776 -0.00051299
-0.00144233 0.00078612 -0.00262437
1.44192882 -5.87524440 0.46381396
0.00060065 0.00074886 -0.00015150
-0.00149396 0.02023552 -0.01699550
-0.36513318 -3.78550743 -0.37231826
-0.00032689 0.00003851 -0.00037609
0.00623470 -0.00311581 -0.00022838
17.35630853 3.27003476 25.70417867
-0.00032604 -0.00012430 0.00010809
-0.00090195 -0.00364241 -0.00086462
16.70040988 3.62434704 28.46598602
0.00030230 0.00106702 -0.00107394
-0.00400384 -0.00476542 0.00455231
-10.66664379 7.57191949 -3.38401208
0.00045798 0.00084502 0.00040308
0.00737465 -0.02885847 -0.01206501
-8.33522495 6.97604152 -5.09150618
-0.00045241 0.00020880 0.00026201
-0.01897002 -0.01672254 0.00373218
-6.23648300 15.90758865 -9.10482106
0.00042421 -0.00004197 -0.00028904
-0.00031143 0.00062444 -0.00819483
-4.52622792 14.42278167 -11.11254338
0.00063639 0.00005163 0.00013907
-0.00181597 0.00012302 0.00322919
2.74365340 11.08078932 -5.59655480
0.00010217 0.00027109 -0.00030015
-0.00302944 -0.02267249 0.01784551
1.43680370 13.31498438 -6.94106689
0.00046130 0.00041457 0.00044764
-0.02002134 0.01511304 0.00489140
-2.54316385 11.06417331 -14.03259162
0.00079826 -0.00103408 0.00043547
0.00984400 -0.00427072 -0.00122042
-5.16633257 10.73252225 -13.11190780
0.00003463 -0.00005066 0.00015099
-0.01718262 -0.01117980 0.00560591
4.74748204 7.28030011 18.89525647
0.00032755 -0.00068282 -0.00089776
-0.00091779 0.00246756 0.00053369
2.15182540 6.73823222 17.73479207
0.00044306 0.00000712 -0.00014996
-0.00410217 0.00399501 -0.00632301
-13.78356475 8.33052754 -8.98442079
-0.00150314 -0.00072583 -0.00058283
0.00819176 -0.00213398 -0.01358276
-15.99931587 8.38558106 -7.33808267
-0.00018299 -0.00039909 0.00033834
-0.01784656 -0.00111471 -0.01554435
5.26791229 10.27855531 0.76710877
-0.00023238 -0.00179239 0.00001647
0.00086284 0.00761116 -0.00363375
2.27420457 10.18163637 0.60429440
-0.00048823 -0.00096037 -0.00103620
-0.02250544 0.01512761 0.00356238
14.37031645 -23.77842967 -25.62746674
0.00010581 -0.00027855 -0.00024890
0.00828506 -0.00514516 -0.00622651
15.26742229 -24.97266796 -28.10496909
0.00025618 -0.00081444 0.00109278
-0.01506195 -0.01171557 -0.02584054
3.85120593 3.92493719 -0.08131989
-0.00004552 0.00093431 0.00162987
0.00128163 -0.00457798 -0.00287621
5.67898537 5.76157781 1.27241717
0.00061617 -0.00050676 0.00035672
-0.00083794 -0.02042858 -0.01893775
17.96749329 -3.66945170 -0.34557938
0.00056937 -0.00031136 0.00105141
-0.01142634 -0.00864660 0.01209123
16.06730649 -5.82429483 -1.20008042
0.00006581 0.00075400 -0.00055325
0.02777297 0.00559425 0.02310131
-6.43883038 2.76429590 -1.82248846
-0.00104890 0.00001849 0.00047573
-0.05729755 0.01350813 0.02273949
-4.94650067 1.34492712 -3.76987687
-0.00026257 -0.00035168 0.00004740
-0.00290008 -0.00708810 -0.00128214
2.54156787 2.99921108 -11.90375396
-0.00032697 0.00020573 -0.00129615
-0.01883775 -0.01300140 0.00499461
0.31314450 1.11193849 -10.85384076
-0.00048442 -0.00163115 -0.00016625
0.00869406 0.01440611 -0.00160598
16.83643080 7.92463877 -8.05266377
-0.00104712 0.00015841 -0.00053833
0.01292411 0.00932210 0.00232788
15.38805540 10.48330984 -6.48842388
-0.00048237 -0.00033698 0.00071114
0.02091521 0.01890279 -0.00066031
-7.33709347 1.10844777 11.16477715
-0.00011106 0.00121820 0.00046827
0.00396304 -0.00168916 -0.00211327
-8.02661832 1.29294846 14.01874854
-0.00075725 0.00024380 0.00125254
0.00025188 0.01100936 -0.00301132
-2.57769950 -16.73455814 14.38087981
-0.00055635 -0.00002828 0.00104251
-0.00619152 0.01275004 -0.01394534
-4.72070688 -17.76409600 12.49098760
-0.00012147 -0.00134868 0.00037727
0.02693296 0.03408889 0.01042848
7.26682907 -6.15528894 -4.65061490
0.00070398 -0.00040998 -0.00010297
-0.00634173 -0.00416170 0.02520232
5.45185308 -7.76420924 -6.46155823
-0.00051467 0.00028715 0.00027517
-0.00206022 0.00546001 0.01514993
-2.85862677 -11.49350547 1.91116271
0.00024130 -0.00006103 -0.00050759
0.00968966 0.00124107 0.00134458
-0.33407166 -10.08022726 1.82997995
-0.00008326 -0.00038161 -0.00032465
-0.00895384 -0.02438897 0.00197006
-14.73183457 -0.73603254 6.26869062
-0.00031413 0.00000587 0.00016932
0.02200136 0.01676431 0.01273125
-15.63653942 -1.72910085 3.79278932
0.00050299 0.00062980 0.00120278
-0.00273188 -0.00195005 -0.00957218
-9.56654265 4.46741738 -23.70699141
-0.00005433 -0.00071285 0.00003708
-0.00147137 -0.00099211 0.00215865
-9.02762245 4.42487150 -20.83928640
-0.00019328 0.00026427 -0.00097613
0.00544832 0.02946936 0.03785185
2.14425195 0.56539123 -3.10177879
-0.00050442 -0.00153277 0.00035685
-0.00143450 -0.01000959 -0.02892254
0.50330347 0.24560794 -0.58024529
0.00042113 -0.00012080 -0.00147830
0.02018206 0.00810213 -0.01855876
14.03770941 9.30238645 3.31715586
-0.00027750 -0.00005493 0.00014139
0.02146992 0.01263500 0.00660654
11.48340847 8.82016257 2.17136764
0.00060523 -0.00006129 -0.00012231
0.01557329 -0.00714629 0.03392942
5.37823095 -9.29428597 -10.56761979
-0.00008150 -0.00009662 -0.00006622
-0.00092730 0.00953426 -0.01088070
-12.95686487 10.39383109 21.29668186
0.00013330 -0.00003957 0.00008338
0.01008594 -0.00227526 -0.00503982
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06723804
0.32241300
429.59915892
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0713662791
ExchangeOperator: pair fraction: ispin=0: 0.1893564089
ExchangeOperator: bisection time: 2.957 s
total exchange = -52.3943415702 (a.u.)
total exchange computation time: 3.4697141647 s
-154.3283140337
-931.39008122
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0713662791
ExchangeOperator: pair fraction: ispin=0: 0.1893564089
ExchangeOperator: bisection time: 2.959 s
total exchange = -52.3939289581 (a.u.)
total exchange computation time: 3.4725079536 s
-154.3325882605
Anderson extrapolation: theta=1.3454326091 (1.3454326091)
-931.39034643
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0713662791
ExchangeOperator: pair fraction: ispin=0: 0.1893564089
ExchangeOperator: bisection time: 2.957 s
total exchange = -52.3932937605 (a.u.)
total exchange computation time: 3.4704740047 s
-154.3387668824
Anderson extrapolation: theta=0.0517767719 (0.0517767719)
-931.39050407
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0713662791
ExchangeOperator: pair fraction: ispin=0: 0.1893564089
ExchangeOperator: bisection time: 2.954 s
total exchange = -52.3931932639 (a.u.)
total exchange computation time: 3.4712598324 s
-154.3395235439
Anderson extrapolation: theta=1.9221750673 (1.9221750673)
-931.39050998
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0713662791
ExchangeOperator: pair fraction: ispin=0: 0.1893564089
ExchangeOperator: bisection time: 2.957 s
total exchange = -52.3929735484 (a.u.)
total exchange computation time: 3.4715211391 s
-154.3411086363
Anderson extrapolation: theta=0.2225924813 (0.2225924813)
-931.39051617
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0713662791
ExchangeOperator: pair fraction: ispin=0: 0.1893564089
ExchangeOperator: bisection time: 2.957 s
total exchange = -52.3929139272 (a.u.)
total exchange computation time: 3.4734330177 s
-154.3414779126
Anderson extrapolation: theta=1.8578267665 (1.8578267665)
-931.39051737
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0713662791
ExchangeOperator: pair fraction: ispin=0: 0.1893564089
ExchangeOperator: bisection time: 2.957 s
total exchange = -52.3928175284 (a.u.)
total exchange computation time: 3.4717500210 s
-154.3420043589
Anderson extrapolation: theta=0.2847794328 (0.2847794328)
-931.39051885
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0713662791
ExchangeOperator: pair fraction: ispin=0: 0.1893564089
ExchangeOperator: bisection time: 2.957 s
total exchange = -52.3928061285 (a.u.)
total exchange computation time: 3.4712660313 s
-154.3419944472
Anderson extrapolation: theta=1.2893002078 (1.2893002078)
-931.39051920
282.528978 29.857098 158.328553
-143.000485 489.717564 -806.421500
139.528493 519.574662 -648.092947
842.288845
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0713662791
ExchangeOperator: pair fraction: ispin=0: 0.1893564089
ExchangeOperator: bisection time: 2.958 s
total exchange = -52.3928044771 (a.u.)
total exchange computation time: 3.4698860645 s
679.20298792
-1084.25275724
89.69919650
-388.77837294
-174.86876921
78.58890801
551.60419304
0.00000000
-931.39051946
-8.66373618 -3.96909204 3.66652184
0.00008524 0.00003064 0.00011645
-0.01073477 0.00921023 -0.00095635
-17.76649768 4.29434047 6.43075205
0.00026068 -0.00026281 -0.00023002
-0.01169434 -0.02848193 -0.02815014
-15.51057068 -0.91043528 0.32936178
0.00029837 0.00001877 -0.00003574
-0.00378986 -0.01841186 -0.00430402
3.04717529 -20.56726387 15.46164086
-0.00030357 -0.00008945 -0.00017031
0.00579019 -0.00789696 0.00538711
7.80465726 16.01090557 -1.25081499
0.00031995 -0.00001843 0.00017926
-0.01565712 0.00610911 0.01864853
-9.97391123 9.43269835 11.00870257
-0.00024888 -0.00010772 -0.00015783
0.01735031 -0.04093753 -0.01175422
-8.34983746 -0.41017774 -14.33512676
-0.00012763 0.00010726 -0.00020207
-0.02635296 -0.00852106 -0.03787462
-10.80126842 2.37888108 -6.95704224
-0.00011020 -0.00021034 0.00001581
-0.00278346 -0.05321393 -0.03280561
-0.42224538 -5.72235084 15.45546670
-0.00027329 0.00003068 0.00029593
-0.00412473 -0.00125714 0.03292819
-25.79446612 -0.74331836 -20.65574928
-0.00020513 -0.00008206 0.00018223
0.03142613 0.00450432 0.02030671
8.88358546 7.49109747 7.81457804
0.00005947 -0.00008852 -0.00017969
0.00709848 -0.00831242 0.00308737
20.88303002 28.54382768 -5.03682022
0.00020555 -0.00030553 0.00007010
0.01656857 -0.01375157 -0.00426125
7.67944658 -1.54507497 -7.27882701
-0.00006636 0.00007908 -0.00008360
0.06410488 -0.01995006 0.00490976
-9.20865112 -3.45683698 13.56569999
0.00023791 -0.00008404 0.00011948
-0.01317757 -0.05471080 0.03551007
-1.24147002 -22.67350716 14.09041716
0.00016134 0.00009886 0.00033178
-0.00343320 -0.01945693 0.01195857
-10.98043144 -8.65368655 -8.04679126
0.00010266 -0.00017125 0.00021194
-0.01937747 -0.04441391 0.00856515
-15.91763831 -8.59224958 -15.52472990
-0.00009889 -0.00006444 -0.00006986
-0.01081399 -0.04070159 -0.00513184
16.97231914 12.79825560 3.59844759
0.00044554 0.00019173 -0.00007754
-0.00146082 -0.01315411 -0.00156834
20.06469907 -4.62297722 -14.81397978
-0.00015771 0.00005176 -0.00020560
0.01558300 0.01360102 -0.00900597
-0.30384979 8.11653818 -14.91671201
0.00018667 -0.00026506 -0.00008607
-0.00753431 -0.01696233 -0.01078167
0.57790298 -0.42425643 -17.01810206
-0.00024243 0.00050145 -0.00012122
0.02368767 -0.01514237 0.00344911
12.04400065 20.83166653 -23.18529848
0.00047774 -0.00047284 -0.00005163
-0.04208171 -0.06432480 -0.03204432
-11.35697329 15.17086247 -16.31421906
-0.00020444 -0.00030128 -0.00006678
-0.03404895 -0.03360059 0.03600383
4.69139915 17.69462027 10.54890229
0.00026337 0.00021185 -0.00040355
-0.03464529 0.02904099 0.01904820
-2.15391719 -11.10086933 -3.54557573
0.00000036 -0.00003090 -0.00000934
-0.06552790 0.02362166 -0.00859413
1.35170687 -8.13170465 3.96512155
0.00031251 0.00004614 0.00048666
0.00058063 0.00302699 -0.00231200
9.55108582 2.16188614 8.29376608
-0.00017884 0.00036680 0.00008019
-0.00713353 0.03263899 -0.00340166
-6.96058262 -9.04860758 -3.09353336
-0.00010410 0.00037152 -0.00001699
-0.03345945 -0.02918311 0.02606161
3.81590567 -12.21349918 -13.18776002
-0.00012664 0.00018227 -0.00024391
-0.01350476 0.01799540 -0.01774080
1.26219293 -4.50537101 -0.82844194
0.00004627 -0.00003141 0.00030447
-0.00596768 -0.01725251 0.01603205
17.26785784 4.53225412 27.00381130
0.00037966 -0.00003909 -0.00014476
0.00877680 0.01119418 -0.01234801
-9.78665585 6.05670687 -4.17429639
-0.00029156 0.00013490 0.00064730
0.00525129 0.06488684 0.01433314
-4.71147182 14.93897323 -9.35842937
0.00031495 0.00000514 -0.00012937
0.00548359 -0.00049544 0.01185296
2.88515074 12.26569247 -6.91732390
-0.00024107 0.00023029 -0.00009704
0.02826758 0.01387374 -0.02388117
-4.06240671 12.02085672 -13.70250248
0.00012589 0.00033371 0.00012214
0.01263504 0.00358294 -0.00291830
3.84545233 7.33509351 17.29953128
-0.00005440 0.00006385 0.00011460
0.00412121 -0.00355321 0.00660257
-15.57225972 8.63797387 -9.13563536
-0.00007981 -0.00011278 0.00001520
0.00350148 0.00170944 0.03061711
3.77929823 9.25968088 0.62791987
0.00026611 0.00025808 0.00021977
0.01684815 -0.04093526 -0.00039630
15.88895410 -24.09506014 -26.70261787
0.00006740 -0.00016292 -0.00005757
0.00748236 0.01640986 0.04005800
5.62914149 4.13687232 0.31635374
-0.00026814 -0.00001758 0.00029463
0.00165488 0.02402387 0.02217567
17.32248549 -5.33971675 0.14738981
0.00015526 -0.00012110 -0.00034423
-0.02128424 -0.00741100 -0.02662773
-4.80835493 2.41820873 -2.29722102
0.00013111 0.00008453 0.00033675
0.05962869 -0.00222740 -0.02027428
0.73453991 2.57801315 -11.92312023
-0.00007824 0.00030052 -0.00019388
0.00112352 -0.00954838 -0.00847338
15.40998363 8.84236627 -7.17723084
-0.00003439 -0.00007220 0.00035414
-0.03416452 -0.03064869 -0.00217246
-6.59186456 1.08784984 12.83877442
-0.00027952 0.00015968 -0.00008625
-0.00030619 0.00123129 0.00773169
-3.60757758 -16.20456168 12.87591101
-0.00014435 0.00007503 -0.00014676
-0.02546499 -0.05011006 -0.00125459
6.94761477 -6.65626590 -6.36567828
-0.00021125 0.00041106 -0.00027629
-0.00176310 -0.00649977 -0.02494221
-1.13715352 -11.70626189 1.21572641
-0.00017285 -0.00010889 -0.00037879
-0.00484824 0.02480541 0.01160916
-15.96375225 -1.80998581 5.60439107
0.00033349 -0.00006637 0.00041275
-0.02688371 -0.01950492 -0.00494368
-9.26821406 3.37625479 -22.22214084
-0.00014385 -0.00015810 -0.00025092
-0.00446949 -0.02396283 -0.02971222
1.92619248 1.09601719 -1.42137909
-0.00031835 -0.00004061 -0.00004212
-0.01534985 0.01101251 0.03876487
12.56823072 8.37011689 3.72411996
0.00006408 -0.00029243 -0.00028563
-0.04247294 -0.00616013 -0.03910771
-7.10616213 -4.48668747 2.88044760
0.00130674 -0.00014504 -0.00110127
0.00480965 0.00496363 -0.01770161
-9.95218791 -3.76752829 2.34106723
0.00144079 0.00073341 -0.00003026
0.01946417 0.00756952 -0.00005868
-16.41308080 5.40520857 6.73443442
-0.00003603 -0.00045456 0.00006526
0.02279461 0.02472015 0.00864302
-17.38184177 3.63939731 4.71573170
-0.00081020 0.00009822 -0.00005463
-0.00846049 0.00590233 0.02142575
-15.94825024 0.90284263 0.52250041
0.00062343 -0.00092512 -0.00078001
-0.00476612 -0.01258520 -0.01217882
-16.76486453 -1.88021239 -0.69703120
-0.00102177 0.00005134 -0.00143466
0.01359851 0.03001402 0.01805863
1.27624185 -21.07111921 15.13838832
-0.00040479 0.00142516 0.00079633
0.00592829 0.01341611 0.00138307
3.20701357 -18.83934382 16.06224768
-0.00101888 0.00034431 -0.00004725
-0.00555891 -0.00601731 -0.00653256
8.05668365 14.16826477 -1.23537575
0.00000531 0.00029414 0.00017595
0.00182676 0.00224981 0.00759334
6.81093028 16.43529913 0.29448578
-0.00059733 0.00006435 -0.00071660
0.01796285 -0.00976723 -0.02646790
-8.83969600 9.06181012 12.44213506
-0.00090346 -0.00138467 0.00001374
-0.00449484 0.00362551 0.00047208
-10.80787768 10.92913121 11.38888887
0.00027347 -0.00024265 -0.00007202
-0.01050154 0.03868845 0.01470693
-10.10280839 0.40714038 -14.45646605
0.00032175 -0.00019380 0.00028042
0.03173932 -0.01323563 0.00525887
-8.24406780 -1.46285195 -15.95684420
-0.00062917 0.00168751 -0.00042047
-0.00209357 0.02152710 0.03451662
-12.04037900 0.98951950 -6.84055338
0.00059546 0.00042355 0.00030378
0.00425684 0.01594020 0.00203154
-11.13944310 3.71487863 -5.84944704
0.00043403 0.00037824 -0.00001107
-0.00581189 0.02329842 0.02324813
-1.99494731 -6.47927500 14.78491609
0.00015757 0.00014248 0.00035027
0.00194699 0.00533876 0.00112059
-0.50253963 -5.80712687 17.36054037
-0.00022037 -0.00056174 0.00066778
0.00049680 -0.00031965 -0.03477388
-24.34884483 -0.26448652 -19.52529493
0.00112267 0.00024157 -0.00096265
-0.01884695 -0.00810292 -0.01488049
-25.88273666 0.45819965 -22.04286056
-0.00103619 -0.00046986 -0.00113203
-0.00465588 0.01089414 -0.00499212
9.84906220 7.87101314 6.30720176
0.00088261 -0.00141337 0.00045914
0.00553701 0.00309892 -0.00389186
10.08452811 7.99789983 9.16874399
0.00012792 0.00021834 -0.00067362
-0.00365557 -0.00094038 -0.00570934
19.92301211 27.62641278 -3.81338629
0.00039872 0.00043818 0.00011394
-0.00770807 -0.00789620 0.01129270
20.48736198 30.31819753 -4.77226649
0.00031951 -0.00082699 -0.00039481
-0.00630658 0.01527108 0.00705327
6.04191126 -0.97785480 -7.37657904
0.00022058 -0.00009726 -0.00048936
-0.05218271 0.02022483 -0.00147066
7.65214847 -3.36527865 -7.01031216
-0.00038216 -0.00029184 0.00024866
-0.01372910 0.00647523 -0.00279748
-8.49594206 -2.29609478 12.46964312
0.00008835 -0.00020628 0.00036329
0.00942256 0.03518860 -0.03266572
-11.02948966 -3.45197977 13.57832662
-0.00030033 0.00062125 0.00026699
0.00264058 0.01841086 -0.00889887
-0.89637289 -24.42928671 14.73021155
0.00006887 -0.00055550 -0.00109271
-0.01082907 0.01528390 -0.00957568
-3.03680324 -22.29330097 14.37115358
-0.00040212 -0.00047949 0.00038083
0.00946294 -0.00604022 -0.00709657
-12.68719624 -8.27172421 -7.44960617
-0.00029827 -0.00030627 -0.00028387
-0.00635027 -0.00848833 0.00885372
-10.49595414 -7.00356308 -8.25143501
0.00056184 0.00172230 0.00131103
0.03292874 0.05039150 -0.01508773
-16.05197698 -10.51734834 -15.65598785
0.00052414 -0.00029588 0.00099868
0.00711490 0.04555844 0.00713516
-14.26329067 -8.01459233 -16.16480434
-0.00005057 0.00025143 0.00012550
-0.00250601 -0.00567977 0.00011905
17.37652488 12.88632546 5.40507277
-0.00004458 -0.00010206 0.00024528
-0.00373900 0.00152758 -0.00450363
17.00656353 14.43605333 2.80950611
-0.00022148 -0.00022002 0.00018230
0.00528506 0.00363427 -0.00125107
18.24821260 -4.66905545 -14.87130923
-0.00036801 -0.00051419 0.00038327
0.00302275 0.00918818 -0.00132719
20.71754107 -2.94326383 -15.43164397
-0.00055757 -0.00100338 0.00012540
-0.01525172 -0.02490258 0.00574506
-0.26539651 6.62443813 -13.82781776
0.00124835 -0.00024972 -0.00072519
-0.00643047 0.00364766 -0.00418513
-0.41409045 7.42277871 -16.63959621
-0.00083286 0.00128983 0.00005675
0.00021782 0.00792718 0.01522655
0.56291795 0.73670811 -15.60436584
-0.00064162 0.00069586 0.00005017
-0.00073917 0.00830631 0.00562212
2.33445099 -1.14228651 -16.93373699
0.00026477 -0.00054010 0.00034126
-0.02345420 0.01151762 -0.00430448
12.41120225 22.32804986 -22.39819785
-0.00061466 0.00013069 -0.00049111
0.01430595 0.05918269 0.02736605
10.16213305 20.90683110 -23.37993737
0.00019468 0.00006505 -0.00000859
0.02332146 -0.00323723 0.00359347
-10.21408936 16.00526687 -17.36484200
-0.00070240 -0.00005558 0.00006633
0.02963122 0.02033209 -0.02785440
-10.93036798 15.83337855 -14.68916905
-0.00023454 0.00089080 0.00018917
-0.00218760 0.00070259 0.00701290
3.40112159 18.76030683 11.54919704
0.00060689 -0.00034755 0.00024942
0.03644743 -0.02973569 -0.03375610
4.77240586 18.39262846 8.82487733
0.00027223 -0.00013639 -0.00046878
-0.00121838 -0.00558407 0.01435589
-4.02033402 -10.46680754 -3.30748909
0.00009515 0.00011530 -0.00052287
0.04802942 -0.01246251 -0.02609960
-1.88907456 -11.21063205 -1.74902839
-0.00097763 0.00052542 -0.00001126
0.02403325 -0.00915023 0.01927780
0.02687988 -7.45953683 5.03529062
-0.00047192 0.00015803 0.00016025
0.00299763 0.00500928 0.00373877
2.82580638 -8.45142422 5.04247248
-0.00025675 0.00028300 -0.00055876
-0.00066980 0.00445717 -0.00298069
7.74484627 1.91010812 8.46538495
-0.00010069 0.00029001 -0.00084143
0.00435290 0.00369896 0.00376659
9.68266906 4.08750445 8.14216462
-0.00029507 0.00056804 0.00115558
-0.00442916 -0.03053189 0.00091735
-8.28593403 -8.48487398 -4.17472871
-0.00097670 0.00046827 -0.00001174
-0.00551166 0.01420456 -0.02271413
-8.11347227 -10.19261085 -2.09553545
-0.00037126 0.00021121 -0.00033934
0.02328000 0.01445168 -0.00307842
4.67152534 -13.39903170 -12.19108261
-0.00002155 0.00047389 -0.00044415
0.01329595 -0.02491244 0.01585421
2.32633465 -13.01873605 -13.93425437
-0.00052163 0.00058163 -0.00052194
0.00023035 0.00110801 -0.00175357
1.45089274 -5.86339147 0.46102068
0.00059432 0.00082397 -0.00021335
-0.00160091 0.01653050 -0.01328094
-0.36984552 -3.78502528 -0.37796654
-0.00029855 0.00002392 -0.00037679
0.00763923 -0.00402472 -0.00011583
17.35139022 3.26805868 25.70577359
-0.00032915 -0.00014052 0.00010243
-0.00061728 -0.00429749 -0.00190943
16.70482170 3.64020626 28.45001642
0.00027911 0.00103726 -0.00103693
-0.00734676 -0.00979900 0.01356540
-10.65954818 7.58371047 -3.37833561
0.00048643 0.00072568 0.00035470
0.00655182 -0.02956082 -0.01161641
-8.34259245 6.97866110 -5.08746169
-0.00052907 0.00013919 0.00027702
-0.01855592 -0.01735105 0.00361662
-6.23012940 15.90697826 -9.10940782
0.00042117 -0.00003852 -0.00032243
-0.00117808 0.00106142 -0.00814933
-4.51673776 14.42355996 -11.11035844
0.00062903 0.00005105 0.00014875
-0.00178562 -0.00041133 0.00150880
2.74509315 11.08416084 -5.60051027
0.00008945 0.00017669 -0.00022505
-0.00320014 -0.02353685 0.01891730
1.44310968 13.32166601 -6.93420245
0.00037331 0.00048038 0.00046760
-0.02304988 0.01710255 0.00487951
-2.53088834 11.04853125 -14.02609692
0.00082357 -0.00104147 0.00043329
0.00254562 0.00065134 0.00015091
-5.16633961 10.73141975 -13.10947114
-0.00003235 -0.00009134 0.00017206
-0.01560648 -0.00873202 0.00470574
4.75236717 7.27013336 18.88180643
0.00032841 -0.00067318 -0.00088652
0.00133775 0.00225357 0.00496636
2.15834560 6.73846141 17.73234887
0.00042044 0.00002129 -0.00017368
-0.00697009 0.00294185 -0.00528882
-13.80586087 8.31957470 -8.99357941
-0.00144836 -0.00073823 -0.00063678
0.01862695 -0.00393393 -0.01282848
-16.00260765 8.37956052 -7.33348395
-0.00025477 -0.00040270 0.00027006
-0.01728979 -0.00065308 -0.01787922
5.26445306 10.25190276 0.76724445
-0.00020967 -0.00174395 0.00000360
0.01025220 0.01609817 -0.00266317
2.26619149 10.16769434 0.58886058
-0.00057681 -0.00089774 -0.00102194
-0.02085448 0.01553020 0.00341955
14.37215744 -23.78276554 -25.63139107
0.00013840 -0.00029872 -0.00027223
0.00766930 -0.00472841 -0.00519178
15.27080342 -24.98524359 -28.08936928
0.00019154 -0.00086850 0.00097751
-0.01657687 -0.01474606 -0.03058340
3.85056237 3.93881150 -0.05695995
-0.00004840 0.00091413 0.00161561
-0.00268997 -0.00529685 -0.00410561
5.68820225 5.75335036 1.27718768
0.00061353 -0.00058560 0.00028173
-0.00045694 -0.01816325 -0.01777267
17.97568371 -3.67438708 -0.32943766
0.00052438 -0.00034077 0.00109877
-0.01059686 -0.00574829 0.01108799
16.06914462 -5.81281333 -1.20767131
0.00017888 0.00077650 -0.00045928
0.02757936 0.00541579 0.02289790
-6.45631963 2.76498714 -1.81465567
-0.00125902 0.00006845 0.00056216
-0.04556014 0.01094694 0.01956908
-4.95052805 1.33943471 -3.76920516
-0.00027339 -0.00037575 0.00004833
-0.00239880 -0.00469348 0.00173974
2.53608613 3.00189856 -11.92304311
-0.00039901 0.00015241 -0.00127480
-0.01642622 -0.01309889 0.00545509
0.30614459 1.08791271 -10.85638366
-0.00044343 -0.00155535 -0.00018387
0.01137390 0.02269774 -0.00702228
16.82111997 7.92730051 -8.06066745
-0.00098958 0.00019466 -0.00053025
0.01524372 0.00842506 0.00162738
15.38146079 10.47883443 -6.47777704
-0.00039666 -0.00025824 0.00070805
0.02103731 0.01963984 -0.00085054
-7.33863790 1.12666908 11.17173639
-0.00009909 0.00121125 0.00045282
0.00189728 -0.00171600 -0.00544822
-8.03796937 1.29694283 14.03744432
-0.00074621 0.00028738 0.00122972
0.00515322 0.01032414 -0.00815885
-2.58623449 -16.73459166 14.39609018
-0.00058493 0.00002698 0.00097880
-0.00779935 0.01429903 -0.01724303
-4.72170357 -17.78328159 12.49696623
-0.00000784 -0.00120196 0.00042024
0.02868613 0.03772958 0.01060464
7.27719452 -6.16156624 -4.65138714
0.00067796 -0.00042743 -0.00000181
-0.00639640 -0.00437868 0.02431373
5.44406986 -7.75973469 -6.45696644
-0.00051995 0.00031129 0.00033640
-0.00052363 0.00635827 0.01482489
-2.85471029 -11.49438285 1.90359000
0.00027541 -0.00005571 -0.00049988
0.00700629 0.00135961 0.00243087
-0.33559495 -10.08669882 1.82517061
-0.00011859 -0.00047910 -0.00031603
-0.00833935 -0.02332957 0.00224669
-14.73587230 -0.73543081 6.27162059
-0.00021866 0.00007964 0.00022629
0.02473247 0.01934930 0.01515641
-15.62907835 -1.71971357 3.81053774
0.00049244 0.00062077 0.00115332
-0.00243053 -0.00247122 -0.01463854
-9.56740274 4.45669425 -23.70636902
-0.00006228 -0.00071249 0.00003967
-0.00241856 0.00116733 -0.00089169
-9.03035466 4.42973855 -20.85276851
-0.00017015 0.00038744 -0.00081704
0.00587509 0.03082396 0.04002458
2.13664168 0.54209300 -3.09731226
-0.00050810 -0.00157143 0.00024051
-0.00036734 -0.00891467 -0.02802961
0.51023885 0.24404416 -0.60298853
0.00049007 -0.00009455 -0.00154306
0.01356683 0.00474883 -0.01313830
14.03420475 9.30194969 3.31947913
-0.00018606 -0.00000135 0.00016821
0.02329307 0.01359427 0.00652136
11.49296408 8.81902430 2.17057275
0.00066533 -0.00009005 0.00001326
0.01384556 -0.00693584 0.03243139
5.37700595 -9.29570967 -10.56864232
-0.00008182 -0.00009318 -0.00007011
-0.00085543 0.00968758 -0.01086034
-12.95484778 10.39323365 21.29792385
0.00013566 -0.00004010 0.00008219
0.01024726 -0.00233358 -0.00521790
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06728484
0.32323462
430.69392657
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0711482558
ExchangeOperator: pair fraction: ispin=0: 0.1884045430
ExchangeOperator: bisection time: 2.690 s
total exchange = -52.4007187670 (a.u.)
total exchange computation time: 3.3741111755 s
-154.3600496274
-931.39083079
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0711482558
ExchangeOperator: pair fraction: ispin=0: 0.1884045430
ExchangeOperator: bisection time: 2.688 s
total exchange = -52.4002323908 (a.u.)
total exchange computation time: 3.3724801540 s
-154.3648177160
Anderson extrapolation: theta=1.3462823533 (1.3462823533)
-931.39109212
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0711482558
ExchangeOperator: pair fraction: ispin=0: 0.1884045430
ExchangeOperator: bisection time: 2.691 s
total exchange = -52.3994943782 (a.u.)
total exchange computation time: 3.3737621307 s
-154.3717167956
Anderson extrapolation: theta=0.0513007190 (0.0513007190)
-931.39124703
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0711482558
ExchangeOperator: pair fraction: ispin=0: 0.1884045430
ExchangeOperator: bisection time: 2.685 s
total exchange = -52.3993879900 (a.u.)
total exchange computation time: 3.3728389740 s
-154.3725382818
Anderson extrapolation: theta=1.8998797564 (1.8998797564)
-931.39125266
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0711482558
ExchangeOperator: pair fraction: ispin=0: 0.1884045430
ExchangeOperator: bisection time: 2.689 s
total exchange = -52.3991619092 (a.u.)
total exchange computation time: 3.3721239567 s
-154.3742240939
Anderson extrapolation: theta=0.2182897810 (0.2182897810)
-931.39125837
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0711482558
ExchangeOperator: pair fraction: ispin=0: 0.1884045430
ExchangeOperator: bisection time: 2.688 s
total exchange = -52.3991047072 (a.u.)
total exchange computation time: 3.3724520206 s
-154.3745965965
Anderson extrapolation: theta=1.8639803119 (1.8639803119)
-931.39125945
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0711482558
ExchangeOperator: pair fraction: ispin=0: 0.1884045430
ExchangeOperator: bisection time: 2.687 s
total exchange = -52.3990154735 (a.u.)
total exchange computation time: 3.3742308617 s
-154.3751112229
Anderson extrapolation: theta=0.2892101836 (0.2892101836)
-931.39126079
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0711482558
ExchangeOperator: pair fraction: ispin=0: 0.1884045430
ExchangeOperator: bisection time: 2.686 s
total exchange = -52.3990084209 (a.u.)
total exchange computation time: 3.3719151020 s
-154.3750812745
Anderson extrapolation: theta=1.3123300954 (1.3123300954)
-931.39126113
282.522737 29.830414 158.386676
-143.037900 489.723163 -806.452125
139.484838 519.553577 -648.065449
842.247449
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0711482558
ExchangeOperator: pair fraction: ispin=0: 0.1884045430
ExchangeOperator: bisection time: 2.690 s
total exchange = -52.3990141521 (a.u.)
total exchange computation time: 3.3736271858 s
679.29641190
-1084.45980614
89.69431113
-388.63754907
-174.88561505
78.70483130
551.60419304
0.00000000
-931.39126139
-8.66249897 -3.96859696 3.66826494
0.00008334 0.00003434 0.00011538
0.00332756 0.00517827 -0.00322592
-17.76263266 4.29028845 6.42719323
0.00025396 -0.00027746 -0.00024364
-0.01441012 -0.02847394 -0.02482184
-15.50610973 -0.91022474 0.32880907
0.00029513 0.00000660 -0.00003961
-0.00881202 -0.02893379 -0.01073098
3.04264413 -20.56863606 15.45910704
-0.00030020 -0.00009225 -0.00016708
0.00728909 -0.00300715 0.00716011
7.80939619 16.01065273 -1.24805413
0.00031200 -0.00001483 0.00018834
-0.01526696 0.00786432 0.01666062
-9.97757749 9.43092463 11.00628977
-0.00023964 -0.00012944 -0.00016402
0.01857632 -0.04353574 -0.01230851
-8.35185357 -0.40860177 -14.33830393
-0.00014075 0.00010320 -0.00022081
-0.02468039 -0.00723455 -0.03498642
-10.80293215 2.37552066 -6.95693167
-0.00011060 -0.00023576 -0.00000055
0.00124339 -0.04562961 -0.03081001
-0.42636067 -5.72189548 15.46003261
-0.00027480 0.00003023 0.00031358
-0.00173968 -0.00047661 0.03570502
-25.79742180 -0.74453192 -20.65293755
-0.00018865 -0.00007886 0.00019182
0.03264684 0.00796667 0.01699798
8.88450485 7.48973764 7.81189454
0.00006276 -0.00009295 -0.00017783
0.00569808 -0.00894126 0.00417497
20.88617716 28.53919171 -5.03578512
0.00021462 -0.00031303 0.00006725
0.01869758 -0.01540464 -0.00684216
7.67869847 -1.54396574 -7.28006212
-0.00003297 0.00006794 -0.00008087
0.06572615 -0.02336364 0.00571412
-9.20513328 -3.45830860 13.56762918
0.00022976 -0.00011246 0.00013805
-0.01851034 -0.05582303 0.03669377
-1.23906315 -22.67209938 14.09544000
0.00015871 0.00008882 0.00033791
-0.00679346 -0.01955039 0.01187094
-10.97896634 -8.65642655 -8.04357909
0.00009387 -0.00018935 0.00021581
-0.01479461 -0.02600044 0.00648175
-15.91916336 -8.59337315 -15.52579761
-0.00010426 -0.00008531 -0.00007240
-0.01007459 -0.04045077 -0.00473848
16.97899666 12.80108087 3.59727849
0.00044487 0.00018403 -0.00007765
-0.00116220 -0.01681750 0.00113477
20.06239350 -4.62214836 -14.81709846
-0.00015069 0.00005702 -0.00020960
0.01172681 0.00683970 -0.00658325
-0.30107882 8.11249684 -14.91804471
0.00018282 -0.00027259 -0.00009091
-0.00742459 -0.01230584 -0.00801889
0.57435782 -0.41679312 -17.01990699
-0.00022921 0.00049340 -0.00011912
0.02775079 -0.01616973 0.00471667
12.05100439 20.82432575 -23.18619646
0.00045581 -0.00050503 -0.00006771
-0.04318825 -0.06082568 -0.03048546
-11.36017127 15.16621369 -16.31508191
-0.00022175 -0.00031818 -0.00004674
-0.03326112 -0.03212529 0.04194801
4.69521601 17.69791005 10.54292259
0.00024592 0.00022626 -0.00039362
-0.03320821 0.02700042 0.01953544
-2.15416458 -11.10124171 -3.54574903
-0.00003326 -0.00001872 -0.00001402
-0.06519604 0.02373026 -0.00957575
1.35639679 -8.13100085 3.97241248
0.00031050 0.00004828 0.00048453
-0.00839319 0.00527571 -0.00596386
9.54837570 2.16751411 8.29495581
-0.00018223 0.00038367 0.00007852
-0.00604269 0.03292673 -0.00307250
-6.96227315 -9.04314731 -3.09368775
-0.00012248 0.00035696 -0.00000458
-0.03801746 -0.02745900 0.02222522
3.81395397 -12.21069575 -13.19148706
-0.00013407 0.00019178 -0.00025342
-0.01539161 0.01897910 -0.01925924
1.26286399 -4.50590866 -0.82381311
0.00004289 -0.00003895 0.00031155
-0.00719612 -0.01209859 0.01151648
17.27358663 4.53171095 27.00159223
0.00038502 -0.00003192 -0.00015318
0.01206797 0.01669658 -0.02038307
-9.79100899 6.05898063 -4.16453159
-0.00028874 0.00016827 0.00065438
0.00571274 0.06488089 0.01320192
-4.70672641 14.93904839 -9.36032422
0.00031794 0.00000491 -0.00012284
0.00615329 -0.00039606 0.01353708
2.88164371 12.26920041 -6.91887158
-0.00022598 0.00023706 -0.00010934
0.03043361 0.01243632 -0.02396147
-4.06046955 12.02587626 -13.70068169
0.00013365 0.00033358 0.00012054
0.01750581 -0.00410449 -0.00327299
3.84465224 7.33603760 17.30127573
-0.00005209 0.00006240 0.00011662
0.00486219 -0.00210352 0.00127525
-15.57344331 8.63628870 -9.13528919
-0.00008088 -0.00011147 0.00003120
-0.00768482 0.00339104 0.03157916
3.78335484 9.26339416 0.63121488
0.00027141 0.00023499 0.00021938
0.00375612 -0.04886772 -0.00109978
15.88999396 -24.09744059 -26.70332695
0.00007176 -0.00015398 -0.00003643
0.00945507 0.01836120 0.04216949
5.62512582 4.13670125 0.32085867
-0.00026635 -0.00000571 0.00030589
0.00528601 0.02213906 0.02161742
17.32473229 -5.34156183 0.14212358
0.00014424 -0.00012553 -0.00035736
-0.02155743 -0.00981862 -0.02441337
-4.80615827 2.41946808 -2.29224802
0.00015835 0.00008343 0.00032648
0.04628074 -0.00205727 -0.01965325
0.73337072 2.58248407 -11.92606112
-0.00007900 0.00029369 -0.00019711
-0.00410600 -0.01698445 -0.00408153
15.40933599 8.84116503 -7.17192705
-0.00005253 -0.00008780 0.00035336
-0.03635536 -0.03000385 -0.00085964
-6.59605859 1.09024976 12.83751045
-0.00028031 0.00016048 -0.00008020
-0.00276615 0.00188115 0.01581033
-3.60984105 -16.20362951 12.87370482
-0.00015743 0.00004821 -0.00014667
-0.02538836 -0.05418148 0.00159209
6.94443921 -6.65012502 -6.36991891
-0.00021249 0.00040761 -0.00028858
-0.00305442 -0.00694601 -0.02282325
-1.13976494 -11.70779963 1.21008935
-0.00017473 -0.00009653 -0.00037310
-0.00245412 0.02325826 0.01052620
-15.95885358 -1.81105657 5.61056329
0.00031913 -0.00007678 0.00041097
-0.02897056 -0.02099437 -0.00198609
-9.27038912 3.37379083 -22.22601925
-0.00014600 -0.00017096 -0.00026545
-0.00388668 -0.02605444 -0.02679679
1.92135797 1.09545059 -1.42186133
-0.00032456 -0.00003436 -0.00002425
-0.00877063 0.01329177 0.03070085
12.56902803 8.36570675 3.71968473
0.00004258 -0.00029585 -0.00030517
-0.04110411 -0.00714347 -0.03690192
-7.08641360 -4.48871093 2.86338618
0.00130624 -0.00011805 -0.00116168
-0.00505824 0.00824726 -0.01187137
-9.92997966 -3.75629517 2.34061148
0.00151108 0.00076530 -0.00003754
0.01494400 0.00803897 -0.00350172
-16.41292274 5.39914760 6.73567811
0.00006007 -0.00035158 0.00010013
0.02424433 0.02569260 0.00842739
-17.39425401 3.64105148 4.71556884
-0.00084219 0.00012034 0.00002669
-0.00719770 0.00492345 0.01837766
-15.93904488 0.88858019 0.51042712
0.00060084 -0.00096312 -0.00082763
-0.00629234 -0.00601545 -0.01113393
-16.77977436 -1.87852252 -0.71799766
-0.00095282 0.00018195 -0.00134989
0.02015441 0.03391874 0.02343509
1.27035165 -21.04933073 15.15037570
-0.00038488 0.00147513 0.00079966
0.00381705 0.01104619 0.00024549
3.19156008 -18.83436356 16.06133881
-0.00103920 0.00031423 -0.00007533
-0.00438768 -0.00870809 -0.00721399
8.05681921 14.17274586 -1.23250376
0.00001338 0.00029872 0.00020716
0.00212647 -0.00001068 0.00768343
6.80252073 16.43596514 0.28292568
-0.00052531 0.00002535 -0.00082114
0.01729239 -0.00932299 -0.02470589
-8.85338558 9.04115122 12.44235569
-0.00092198 -0.00136835 0.00001526
-0.00457052 0.00436348 0.00027146
-10.80409737 10.92667698 11.38825926
0.00022866 -0.00008022 -0.00001026
-0.01143682 0.04082196 0.01552605
-10.09700961 0.40382773 -14.45209858
0.00044606 -0.00024463 0.00030204
0.02911129 -0.01164370 0.00532120
-8.25356946 -1.43687959 -15.96209357
-0.00063550 0.00176929 -0.00028559
-0.00100631 0.01850253 0.03150797
-12.03131659 0.99636124 -6.83593447
0.00060374 0.00047916 0.00031304
-0.00020472 0.01128014 0.00250373
-11.13311080 3.72126620 -5.84890064
0.00041173 0.00046818 0.00007964
-0.00510026 0.02072519 0.02115142
-1.99252405 -6.47697417 14.79020452
0.00016078 0.00016169 0.00035276
-0.00037611 0.00406213 0.00009809
-0.50582993 -5.81556269 17.36949144
-0.00021824 -0.00056211 0.00052189
0.00054526 0.00013581 -0.03663919
-24.33258236 -0.26111131 -19.54019065
0.00104191 0.00020771 -0.00102502
-0.02068215 -0.00847208 -0.01565180
-25.89842215 0.45148556 -22.05999405
-0.00105399 -0.00043164 -0.00114395
-0.00405737 0.00781519 -0.00083956
9.86247101 7.84990751 6.31396959
0.00090670 -0.00139962 0.00043709
0.00625619 0.00363399 -0.00689935
10.08633483 8.00114608 9.15846470
0.00011401 0.00021530 -0.00069285
-0.00315064 -0.00054519 -0.00370142
19.92875670 27.63274347 -3.81133109
0.00036368 0.00040171 0.00016489
-0.00944532 -0.00995294 0.01364702
20.49196138 30.30626059 -4.77797255
0.00029253 -0.00075713 -0.00036565
-0.00689957 0.01892503 0.00722355
6.04362099 -0.97869394 -7.38396444
0.00000397 -0.00001322 -0.00049616
-0.05385105 0.02091296 -0.00185806
7.64599539 -3.36945790 -7.00666803
-0.00043800 -0.00026006 0.00023627
-0.01360709 0.00908129 -0.00326389
-8.49432810 -2.29811066 12.47409143
0.00012921 -0.00005954 0.00022746
0.01058015 0.03663944 -0.03382382
-11.03391363 -3.44209685 13.58205881
-0.00028158 0.00069626 0.00023077
0.00653671 0.01830704 -0.00883022
-0.89567161 -24.43715079 14.71352744
0.00002512 -0.00049176 -0.00113072
-0.01059146 0.01591321 -0.00903073
-3.04254501 -22.30067838 14.37664854
-0.00035788 -0.00050497 0.00035047
0.01219112 -0.00643202 -0.00776482
-12.69186485 -8.27657838 -7.45359294
-0.00032117 -0.00034079 -0.00024917
-0.00486158 -0.00840672 0.00813084
-10.48651752 -6.97618444 -8.23223183
0.00068428 0.00189026 0.00125499
0.02700913 0.03182765 -0.01234821
-16.04389686 -10.52039045 -15.64078895
0.00055245 -0.00010928 0.00102638
0.00674537 0.04578243 0.00642368
-14.26412603 -8.01099492 -16.16291821
-0.00006161 0.00022748 0.00012634
-0.00289532 -0.00604454 0.00029222
17.37574159 12.88484132 5.40861392
-0.00006006 -0.00009554 0.00022454
-0.00383971 0.00166373 -0.00564610
17.00340325 14.43286436 2.81220232
-0.00019991 -0.00019840 0.00017447
0.00527532 0.00694888 -0.00258210
18.24278500 -4.67648675 -14.86560081
-0.00035194 -0.00047590 0.00037762
0.00484542 0.00955532 -0.00143940
20.70871019 -2.95907762 -15.42958686
-0.00061603 -0.00109188 0.00014433
-0.01336823 -0.01842131 0.00351828
-0.24686833 6.62080407 -13.83882383
0.00122174 -0.00023967 -0.00073964
-0.00659434 0.00127201 -0.00288979
-0.42657666 7.44236914 -16.63827832
-0.00083216 0.00131759 0.00011057
0.00012458 0.00566023 0.01111711
0.55327094 0.74740057 -15.60344104
-0.00064358 0.00072650 0.00007002
-0.00021650 0.00669159 0.00409619
2.33770380 -1.15003512 -16.92875000
0.00015990 -0.00048783 0.00032385
-0.02787730 0.01407071 -0.00421671
12.40242069 22.33182369 -22.40472595
-0.00055585 0.00036800 -0.00038166
0.01448322 0.05698221 0.02620941
10.16576784 20.90770766 -23.37995608
0.00029177 0.00004922 0.00000548
0.02420546 -0.00451282 0.00329443
-10.22371741 16.00505627 -17.36470053
-0.00057920 0.00002944 -0.00005059
0.03067853 0.02128258 -0.02938228
-10.93395314 15.84676212 -14.68611658
-0.00024633 0.00088942 0.00020812
-0.00358177 -0.00138086 0.00226386
3.41134186 18.75418246 11.55190400
0.00075357 -0.00046619 0.00011129
0.03535076 -0.02834140 -0.03386158
4.77645203 18.39041144 8.81828550
0.00026647 -0.00015790 -0.00041062
-0.00160504 -0.00494317 0.01411349
-4.01743500 -10.46545997 -3.31613194
0.00028937 0.00006482 -0.00062966
0.04704272 -0.01224468 -0.02617257
-1.90300260 -11.20303121 -1.74860662
-0.00087814 0.00048750 0.00006904
0.02466803 -0.00941165 0.02003110
0.01989298 -7.45701290 5.03780901
-0.00045363 0.00017581 0.00017259
0.00595296 0.00369550 0.00229862
2.82193468 -8.44704270 5.03399971
-0.00024785 0.00029864 -0.00056065
0.00502386 0.00320259 0.00205605
7.74346928 1.91457166 8.45287889
-0.00008550 0.00030480 -0.00082568
0.00308471 0.00353731 0.00394354
9.67810722 4.09508947 8.15952645
-0.00031300 0.00044265 0.00115840
-0.00434396 -0.03084905 0.00046358
-8.30075346 -8.47741470 -4.17560080
-0.00099047 0.00052282 -0.00009782
-0.00122864 0.01249843 -0.01942608
-8.11832780 -10.18899979 -2.10071987
-0.00027558 0.00027004 -0.00035109
0.02355377 0.01434474 -0.00267216
4.67160946 -13.39268678 -12.19725898
0.00003350 0.00036906 -0.00037772
0.01365443 -0.02640073 0.01666401
2.31851728 -13.00997770 -13.94213713
-0.00051727 0.00058676 -0.00052732
0.00190255 0.00140344 -0.00088012
1.45975855 -5.85052545 0.45741346
0.00058789 0.00088265 -0.00025879
-0.00154816 0.01219722 -0.00896123
-0.37408968 -3.78478980 -0.38362192
-0.00026487 0.00000584 -0.00037692
0.00884750 -0.00482634 0.00005130
17.34643408 3.26581922 25.70725150
-0.00033109 -0.00015923 0.00009273
-0.00033117 -0.00486085 -0.00283922
16.70878327 3.65546494 28.43487819
0.00024215 0.00098720 -0.00096318
-0.01074524 -0.01470929 0.02253439
-10.65205102 7.59368977 -3.37337105
0.00051086 0.00060478 0.00030876
0.00541082 -0.02961801 -0.01087385
-8.35109718 6.98021729 -5.08319554
-0.00060326 0.00006758 0.00029113
-0.01775956 -0.01770300 0.00329160
-6.22384801 15.90643292 -9.11449402
0.00041463 -0.00003332 -0.00035559
-0.00202202 0.00148418 -0.00807954
-4.50735703 14.42431304 -11.10808102
0.00062187 0.00004822 0.00015135
-0.00171698 -0.00097255 -0.00023593
2.74633677 11.08608988 -5.60330637
0.00007624 0.00008047 -0.00014748
-0.00326519 -0.02356279 0.01905283
1.44800302 13.32939579 -6.92703896
0.00027475 0.00055310 0.00048761
-0.02519768 0.01849499 0.00491457
-2.51845682 11.03292911 -14.01959297
0.00082000 -0.00102923 0.00043641
-0.00428973 0.00534206 0.00137637
-5.16730311 10.72978210 -13.10674609
-0.00009207 -0.00012119 0.00018904
-0.01362746 -0.00588107 0.00360662
4.75733429 7.26010473 18.86866075
0.00033852 -0.00066454 -0.00085727
0.00361006 0.00197755 0.00935372
2.16443863 6.73887090 17.72958153
0.00038618 0.00003113 -0.00019315
-0.00980152 0.00187330 -0.00423924
-13.82701541 8.30838076 -9.00352423
-0.00135095 -0.00075831 -0.00068761
0.02905484 -0.00589707 -0.01205386
-16.00695906 8.37349994 -7.32998097
-0.00032421 -0.00040456 0.00019317
-0.01669834 -0.00025566 -0.01975761
5.26162215 10.22623681 0.76721692
-0.00014761 -0.00166099 -0.00000537
0.02012806 0.02451361 -0.00173117
2.25690031 10.15470409 0.57363633
-0.00065608 -0.00083499 -0.00100816
-0.01794738 0.01518542 0.00332292
14.37446845 -23.78739118 -25.63563359
0.00016793 -0.00031706 -0.00029098
0.00678655 -0.00424897 -0.00398545
15.27316863 -24.99872295 -28.07564382
0.00012185 -0.00093337 0.00084565
-0.01753866 -0.01700900 -0.03396001
3.84975396 3.95236118 -0.03285164
-0.00006728 0.00089115 0.00159655
-0.00655388 -0.00595326 -0.00522116
5.69739114 5.74400975 1.28086897
0.00061260 -0.00065386 0.00021235
0.00000407 -0.01524747 -0.01618704
17.98322469 -3.67967475 -0.31261640
0.00048308 -0.00035780 0.00114198
-0.00961857 -0.00258788 0.01006711
16.07267298 -5.80099993 -1.21385887
0.00028989 0.00079781 -0.00036750
0.02676032 0.00501567 0.02202833
-6.47660109 2.76634927 -1.80562357
-0.00141860 0.00010748 0.00063502
-0.03255538 0.00815991 0.01609363
-4.95470244 1.33365466 -3.76842683
-0.00028220 -0.00039015 0.00006140
-0.00191173 -0.00235826 0.00465716
2.52959769 3.00378326 -11.94199793
-0.00046014 0.00009901 -0.00125183
-0.01349708 -0.01303762 0.00579075
0.29984174 1.06527798 -10.85935692
-0.00039228 -0.00144778 -0.00022181
0.01365985 0.02995993 -0.01155071
16.80674337 7.93047859 -8.06857138
-0.00092314 0.00022739 -0.00052495
0.01728032 0.00759654 0.00097016
15.37615547 10.47556267 -6.46718232
-0.00031059 -0.00017798 0.00070362
0.02109826 0.01964503 -0.00132075
-7.34006605 1.14478522 11.17836173
-0.00009544 0.00120441 0.00042395
-0.00011276 -0.00163213 -0.00868564
-8.04900461 1.30156992 14.05564008
-0.00071636 0.00032829 0.00118671
0.00945697 0.00970032 -0.01289215
-2.59524747 -16.73374884 14.41024380
-0.00061937 0.00008813 0.00090253
-0.00906030 0.01563410 -0.02008959
-4.72094219 -17.80015488 12.50359478
0.00011159 -0.00104217 0.00046337
0.02977928 0.04048907 0.01051003
7.28716795 -6.16811189 -4.65066928
0.00065151 -0.00044607 0.00009409
-0.00655308 -0.00474431 0.02263022
5.43625455 -7.75487047 -6.45146609
-0.00051916 0.00033889 0.00039607
0.00090883 0.00715343 0.01438375
-2.85036442 -11.49517690 1.89616627
0.00029798 -0.00004990 -0.00048755
0.00404260 0.00148799 0.00360537
-0.33762933 -10.09460016 1.82049895
-0.00015084 -0.00057114 -0.00030593
-0.00744795 -0.02172808 0.00269779
-14.73839427 -0.73364323 6.27547943
-0.00011414 0.00016217 0.00029191
0.02643069 0.02104822 0.01696200
-15.62176624 -1.71047775 3.82738903
0.00048314 0.00060978 0.00108371
-0.00212144 -0.00291060 -0.01943594
-9.56841106 4.44604267 -23.70580128
-0.00007421 -0.00070317 0.00002959
-0.00342220 0.00339692 -0.00404195
-9.03272681 4.43649469 -20.86379766
-0.00014591 0.00051332 -0.00065289
0.00598590 0.03079661 0.04032721
2.12900890 0.51824843 -3.09456355
-0.00050762 -0.00160451 0.00013041
0.00060114 -0.00728230 -0.02586268
0.51800570 0.24277141 -0.62653697
0.00052996 -0.00008323 -0.00158463
0.00595722 0.00079342 -0.00721149
14.03212764 9.30234608 3.32220208
-0.00008902 0.00005506 0.00019514
0.02420856 0.01401641 0.00666211
11.50336823 8.81746096 2.17176546
0.00071743 -0.00011749 0.00014120
0.01165975 -0.00649390 0.03019646
5.37577635 -9.29708136 -10.56972315
-0.00008211 -0.00008969 -0.00007399
-0.00078418 0.00983785 -0.01081916
-12.95279502 10.39262808 21.29914767
0.00013805 -0.00004065 0.00008096
0.01036823 -0.00237800 -0.00538786
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06721149
0.32404990
431.78024455
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0711482558
ExchangeOperator: pair fraction: ispin=0: 0.1884478096
ExchangeOperator: bisection time: 2.508 s
total exchange = -52.4066786849 (a.u.)
total exchange computation time: 3.3537120819 s
-154.3884967748
-931.39152499
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0711482558
ExchangeOperator: pair fraction: ispin=0: 0.1884478096
ExchangeOperator: bisection time: 2.510 s
total exchange = -52.4061142893 (a.u.)
total exchange computation time: 3.3552770615 s
-154.3937725309
Anderson extrapolation: theta=1.3570231868 (1.3570231868)
-931.39178746
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0711482558
ExchangeOperator: pair fraction: ispin=0: 0.1884478096
ExchangeOperator: bisection time: 2.507 s
total exchange = -52.4052576825 (a.u.)
total exchange computation time: 3.3537268639 s
-154.4014744400
Anderson extrapolation: theta=0.0557559570 (0.0557559570)
-931.39194651
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0711482558
ExchangeOperator: pair fraction: ispin=0: 0.1884478096
ExchangeOperator: bisection time: 2.509 s
total exchange = -52.4051366253 (a.u.)
total exchange computation time: 3.3544509411 s
-154.4024110710
Anderson extrapolation: theta=2.0640385496 (2.0000000000)
-931.39195350
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0711482558
ExchangeOperator: pair fraction: ispin=0: 0.1884478096
ExchangeOperator: bisection time: 2.507 s
total exchange = -52.4048714580 (a.u.)
total exchange computation time: 3.3520531654 s
-154.4043966553
Anderson extrapolation: theta=0.2802826652 (0.2802826652)
-931.39196193
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0711482558
ExchangeOperator: pair fraction: ispin=0: 0.1884478096
ExchangeOperator: bisection time: 2.509 s
total exchange = -52.4047936515 (a.u.)
total exchange computation time: 3.3534979820 s
-154.4049161420
Anderson extrapolation: theta=1.6803915465 (1.6803915465)
-931.39196395
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0711482558
ExchangeOperator: pair fraction: ispin=0: 0.1884478096
ExchangeOperator: bisection time: 2.509 s
total exchange = -52.4046861804 (a.u.)
total exchange computation time: 3.3546879292 s
-154.4055533424
Anderson extrapolation: theta=0.3540749661 (0.3540749661)
-931.39196632
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0711482558
ExchangeOperator: pair fraction: ispin=0: 0.1884478096
ExchangeOperator: bisection time: 2.508 s
total exchange = -52.4046732341 (a.u.)
total exchange computation time: 3.3522539139 s
-154.4055433699
Anderson extrapolation: theta=1.1519864914 (1.1519864914)
-931.39196698
282.524467 29.820676 158.442067
-143.072081 489.735192 -806.482781
139.452385 519.555867 -648.040714
842.224456
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0711482558
ExchangeOperator: pair fraction: ispin=0: 0.1884478096
ExchangeOperator: bisection time: 2.506 s
total exchange = -52.4046782452 (a.u.)
total exchange computation time: 3.3545460701 s
679.38016976
-1084.64804666
89.69085462
-388.50922651
-174.90104037
78.81098224
551.60419304
0.00000000
-931.39196742
-8.66123608 -3.96806194 3.66998316
0.00008846 0.00003602 0.00011329
0.01659238 0.00136837 -0.00487696
-17.75887881 4.28601676 6.42344292
0.00024612 -0.00029181 -0.00025530
-0.01609806 -0.02732727 -0.02052947
-15.50171676 -0.91023741 0.32817358
0.00028958 -0.00001084 -0.00004656
-0.01275862 -0.03888504 -0.01629554
3.03816920 -20.57003146 15.45662846
-0.00029608 -0.00009263 -0.00016297
0.00875516 0.00155020 0.00881253
7.81401733 16.01046057 -1.24516475
0.00030437 -0.00001040 0.00019623
-0.01442022 0.00936700 0.01401800
-9.98110043 9.42881503 11.00378202
-0.00023002 -0.00015207 -0.00017039
0.01882707 -0.04444157 -0.01247719
-8.35406008 -0.40708162 -14.34175101
-0.00015284 0.00009985 -0.00023783
-0.02232562 -0.00582017 -0.03121609
-10.80458630 2.37180823 -6.95705879
-0.00010886 -0.00025689 -0.00001570
0.00552298 -0.03651257 -0.02811699
-0.43048938 -5.72144380 15.46487396
-0.00027507 0.00003019 0.00033243
0.00069247 0.00029927 0.03760818
-25.80012562 -0.74568402 -20.64999468
-0.00017168 -0.00007392 0.00019959
0.03334990 0.01121645 0.01323410
8.88546821 7.48830882 7.80924325
0.00006535 -0.00009769 -0.00017552
0.00438536 -0.00946831 0.00477504
20.88946854 28.53443691 -5.03480282
0.00022467 -0.00032132 0.00006319
0.02038914 -0.01685993 -0.00893368
7.67845741 -1.54303676 -7.28125314
0.00000054 0.00005539 -0.00007779
0.06459973 -0.02543674 0.00627774
-9.20175825 -3.46021088 13.56984144
0.00021921 -0.00014104 0.00015683
-0.02254205 -0.05530314 0.03632391
-1.23670868 -22.67084242 14.10055442
0.00015444 0.00007879 0.00034394
-0.00982747 -0.01948602 0.01158986
-10.97761537 -8.65936714 -8.04031692
0.00008740 -0.00019809 0.00021873
-0.01034641 -0.00797580 0.00485193
-15.92076614 -8.59480878 -15.52690188
-0.00010925 -0.00010581 -0.00007472
-0.00931614 -0.03927928 -0.00428808
16.98566521 12.80377640 3.59611814
0.00044435 0.00017448 -0.00007643
-0.00084669 -0.02029353 0.00358535
20.06017841 -4.62126673 -14.82026792
-0.00014574 0.00005855 -0.00021227
0.00751542 -0.00088105 -0.00378807
-0.29836513 8.10836057 -14.91943928
0.00017904 -0.00027769 -0.00009423
-0.00728481 -0.00754095 -0.00487603
0.57102676 -0.40945455 -17.02167553
-0.00021411 0.00048494 -0.00011632
0.03093942 -0.01669934 0.00615267
12.05767495 20.81651573 -23.18732963
0.00043364 -0.00053473 -0.00008261
-0.04301435 -0.05467165 -0.02746554
-11.36362585 15.16131707 -16.31562115
-0.00023835 -0.00033409 -0.00002400
-0.03127536 -0.02974727 0.04646850
4.69877668 17.70140813 10.53709360
0.00022941 0.00023943 -0.00038355
-0.03100189 0.02420641 0.01964357
-2.15491495 -11.10143101 -3.54599621
-0.00006643 -0.00000659 -0.00001903
-0.06378562 0.02343793 -0.00991800
1.36102196 -8.13025635 3.97965740
0.00030383 0.00005157 0.00048047
-0.01757445 0.00752087 -0.00981025
9.54561895 2.17339610 8.29612183
-0.00018506 0.00040052 0.00007704
-0.00495039 0.03262390 -0.00269239
-6.96425696 -9.03789888 -3.09367067
-0.00014314 0.00034341 0.00000573
-0.04234374 -0.02522557 0.01786991
3.81188354 -12.20774590 -13.19536267
-0.00014228 0.00020156 -0.00026350
-0.01654824 0.01906610 -0.01994122
1.26347952 -4.50653965 -0.81909542
0.00003889 -0.00004374 0.00031616
-0.00836253 -0.00650808 0.00640545
17.27940851 4.53129659 26.99921591
0.00039204 -0.00002204 -0.00016563
0.01523853 0.02170040 -0.02804830
-9.79531806 6.06175493 -4.15466493
-0.00028571 0.00020140 0.00066089
0.00606447 0.06397587 0.01211899
-4.70193354 14.93912050 -9.36211463
0.00032126 0.00000474 -0.00011546
0.00674996 -0.00026176 0.01518084
2.87837146 12.27280430 -6.92060411
-0.00021004 0.00024305 -0.00012146
0.03153979 0.01086023 -0.02316652
-4.05839734 12.03086413 -13.69888615
0.00014366 0.00032951 0.00011885
0.02144421 -0.01172269 -0.00330162
3.84388966 7.33696546 17.30303002
-0.00004942 0.00006170 0.00011597
0.00553239 -0.00062468 -0.00383667
-15.57468619 8.63462970 -9.13469940
-0.00008757 -0.00010926 0.00004757
-0.01832267 0.00520920 0.03209824
3.78744044 9.26673045 0.63450141
0.00026973 0.00020807 0.00021864
-0.01029559 -0.05579424 -0.00180239
15.89110677 -24.09967940 -26.70371072
0.00007703 -0.00014429 -0.00001463
0.01103675 0.01931172 0.04259405
5.62115093 4.13670098 0.32553037
-0.00026279 0.00000501 0.00031673
0.00855133 0.01953744 0.02053858
17.32681278 -5.34348266 0.13666900
0.00013321 -0.00013118 -0.00036918
-0.02135560 -0.01216201 -0.02155499
-4.80360456 2.42071156 -2.28742663
0.00017865 0.00008245 0.00031660
0.03267614 -0.00176358 -0.01877701
0.73216985 2.58682396 -11.92903350
-0.00008248 0.00028328 -0.00019827
-0.00942804 -0.02349108 -0.00044941
15.40840787 8.83973231 -7.16662989
-0.00007171 -0.00010288 0.00035336
-0.03825939 -0.02862701 0.00083791
-6.60027395 1.09266419 12.83636846
-0.00028225 0.00016156 -0.00007018
-0.00478239 0.00231290 0.02315172
-3.61230039 -16.20311533 12.87151091
-0.00017046 0.00001958 -0.00014519
-0.02527846 -0.05714131 0.00416799
6.94124008 -6.64403774 -6.37433560
-0.00021432 0.00040397 -0.00029956
-0.00407596 -0.00717465 -0.01990357
-1.14239530 -11.70915793 1.20453351
-0.00017540 -0.00008509 -0.00036803
-0.00016722 0.02123985 0.00918272
-15.95417841 -1.81228930 5.61672018
0.00030399 -0.00008773 0.00041077
-0.02988674 -0.02155786 0.00119973
-9.27259417 3.37112587 -22.23010438
-0.00014775 -0.00018459 -0.00027803
-0.00291624 -0.02692580 -0.02212326
1.91645580 1.09498653 -1.42210672
-0.00032714 -0.00002693 -0.00001090
-0.00127987 0.01559272 0.02123656
12.56950824 8.36124149 3.71496480
0.00002215 -0.00029969 -0.00032347
-0.03833875 -0.00781546 -0.03424603
-7.06697508 -4.49022895 2.84559721
0.00126753 -0.00007850 -0.00119901
-0.01388619 0.01111021 -0.00640297
-9.90685555 -3.74456936 2.33994113
0.00156244 0.00079939 -0.00005948
0.01019549 0.00865026 -0.00724057
-16.41127884 5.39466124 6.73743829
0.00015976 -0.00024652 0.00013354
0.02455828 0.02573482 0.00792509
-17.40710738 3.64300739 4.71653227
-0.00086878 0.00013800 0.00009417
-0.00581885 0.00372168 0.01465495
-15.93022514 0.87394908 0.49767147
0.00057197 -0.00097328 -0.00087089
-0.00784013 0.00104065 -0.01004152
-16.79344901 -1.87475389 -0.73752788
-0.00085927 0.00032635 -0.00124495
0.02563616 0.03676740 0.02793168
1.26469538 -21.02686528 15.16237813
-0.00037385 0.00151531 0.00079832
0.00158316 0.00862142 -0.00090154
3.17583768 -18.82991699 16.05998782
-0.00105443 0.00027391 -0.00010593
-0.00307149 -0.01102893 -0.00776571
8.05708510 14.17722630 -1.22916089
0.00002273 0.00029403 0.00023866
0.00245193 -0.00228344 0.00773342
6.79517095 16.43605978 0.26985144
-0.00045707 -0.00001132 -0.00091713
0.01611161 -0.00862825 -0.02227799
-8.86735526 9.02075975 12.44259296
-0.00094073 -0.00134907 0.00001602
-0.00460848 0.00507045 0.00010111
-10.80101798 10.92672457 11.38858118
0.00018197 0.00008747 0.00005401
-0.01141863 0.04126204 0.01593131
-10.08942671 0.39980148 -14.44740500
0.00055806 -0.00028825 0.00032390
0.02571787 -0.00970971 0.00538213
-8.26313280 -1.40977329 -15.96541194
-0.00063728 0.00183776 -0.00016482
0.00013573 0.01501590 0.02761025
-12.02226673 1.00389431 -6.83116212
0.00059289 0.00051456 0.00032439
-0.00510724 0.00604980 0.00305188
-11.12709108 3.72892393 -5.84705796
0.00039281 0.00054561 0.00016015
-0.00416239 0.01718102 0.01826091
-1.99012385 -6.47442439 14.79549897
0.00015442 0.00017563 0.00035099
-0.00273923 0.00276538 -0.00096518
-0.50908681 -5.82399019 17.37619703
-0.00021599 -0.00056067 0.00037030
0.00055679 0.00057013 -0.03756504
-24.31758742 -0.25825532 -19.55604561
0.00095459 0.00017264 -0.00108971
-0.02206443 -0.00869198 -0.01601413
-25.91435630 0.44525044 -22.07717899
-0.00106922 -0.00040584 -0.00113884
-0.00340017 0.00481408 0.00333868
9.87626324 7.82902460 6.32031458
0.00093332 -0.00138397 0.00040353
0.00677425 0.00402679 -0.00953099
10.08794847 8.00435892 9.14795856
0.00010233 0.00021401 -0.00070365
-0.00256704 -0.00008879 -0.00158865
19.93392241 27.63846418 -3.80843951
0.00032221 0.00035753 0.00022460
-0.01085332 -0.01167702 0.01557796
20.49613793 30.29548349 -4.78323590
0.00026337 -0.00067341 -0.00033596
-0.00737326 0.02205781 0.00731029
6.04203040 -0.97825140 -7.39146371
-0.00021386 0.00007178 -0.00050417
-0.05277812 0.02069396 -0.00206314
7.63900839 -3.37308059 -7.00322392
-0.00049324 -0.00021853 0.00022213
-0.01343030 0.01124997 -0.00366197
-8.49206572 -2.29788104 12.47646680
0.00017302 0.00008985 0.00009002
0.01086521 0.03649134 -0.03345125
-11.03793699 -3.43109195 13.58524983
-0.00024780 0.00077065 0.00019499
0.00999666 0.01810571 -0.00868685
-0.89561943 -24.44403961 14.69628987
-0.00001747 -0.00042612 -0.00116624
-0.01025256 0.01622155 -0.00835470
-3.04753964 -22.30844997 14.38166762
-0.00030334 -0.00053176 0.00031755
0.01450852 -0.00668112 -0.00834729
-12.69683140 -8.28194777 -7.45708140
-0.00033762 -0.00037469 -0.00021750
-0.00318942 -0.00818747 0.00737356
-10.47542562 -6.94685520 -8.21378543
0.00078245 0.00198287 0.00120923
0.02104368 0.01350181 -0.01004911
-16.03540334 -10.52062673 -15.62519637
0.00057910 0.00007616 0.00105102
0.00629703 0.04499151 0.00563657
-14.26513883 -8.00776795 -16.16101418
-0.00007410 0.00020218 0.00012788
-0.00322047 -0.00633835 0.00046016
17.37472298 12.88345915 5.41180904
-0.00007588 -0.00008846 0.00019949
-0.00390068 0.00180509 -0.00661937
17.00056627 14.43010126 2.81474028
-0.00017850 -0.00016367 0.00016138
0.00520397 0.01005365 -0.00382763
18.23765437 -4.68333243 -14.85998061
-0.00032861 -0.00043620 0.00037150
0.00657700 0.00987583 -0.00155600
20.69906003 -2.97602038 -15.42731412
-0.00066589 -0.00115187 0.00015340
-0.01103805 -0.01094198 0.00092471
-0.22874428 6.61724796 -13.85000701
0.00119458 -0.00023946 -0.00074881
-0.00670119 -0.00116759 -0.00159655
-0.43905524 7.46230647 -16.63627910
-0.00083203 0.00133593 0.00014677
-0.00006229 0.00331803 0.00660348
0.54361067 0.75850313 -15.60226520
-0.00064339 0.00075021 0.00008326
0.00030810 0.00491424 0.00238336
2.33924811 -1.15692140 -16.92402145
0.00003879 -0.00042584 0.00030681
-0.03140965 0.01627344 -0.00412317
12.39452675 22.33908974 -22.40964778
-0.00049754 0.00059076 -0.00027982
0.01406133 0.05206106 0.02364495
10.17088609 20.90830765 -23.37977289
0.00039105 0.00002823 0.00001817
0.02439425 -0.00576134 0.00291567
-10.23146528 16.00615000 -17.36635978
-0.00045435 0.00011643 -0.00017113
0.03043636 0.02129946 -0.02962349
-10.93775781 15.86006107 -14.68292536
-0.00026364 0.00087951 0.00020803
-0.00489076 -0.00346649 -0.00230799
3.42372865 18.74632114 11.55253571
0.00089403 -0.00057777 -0.00002576
0.03340634 -0.02627922 -0.03322710
4.78039982 18.38789148 8.81255863
0.00025923 -0.00017658 -0.00035420
-0.00193520 -0.00420149 0.01350607
-4.01165292 -10.46486282 -3.32637880
0.00047772 0.00001584 -0.00073631
0.04515657 -0.01173420 -0.02603425
-1.91541883 -11.19600717 -1.74695723
-0.00077655 0.00044869 0.00015074
0.02506316 -0.00958349 0.01995981
0.01327092 -7.45426249 5.04046827
-0.00042339 0.00018831 0.00017920
0.00885218 0.00242282 0.00093693
2.81837087 -8.44246490 5.02565295
-0.00021513 0.00030909 -0.00054171
0.01099471 0.00190914 0.00721458
7.74228135 1.91925199 8.44061451
-0.00007562 0.00031889 -0.00080923
0.00174905 0.00336407 0.00411150
9.67327916 4.10078386 8.17691669
-0.00033042 0.00031722 0.00115931
-0.00418303 -0.03054894 -0.00002029
-8.31564819 -8.46918945 -4.17766345
-0.00098634 0.00057007 -0.00016998
0.00325232 0.01063031 -0.01589653
-8.12173980 -10.18450960 -2.10606805
-0.00017973 0.00032769 -0.00036064
0.02336962 0.01387661 -0.00200446
4.67253041 -13.38795986 -12.20241407
0.00008862 0.00026015 -0.00030959
0.01332482 -0.02691044 0.01668513
2.31081652 -13.00113334 -13.95007384
-0.00050618 0.00059300 -0.00052917
0.00352603 0.00165303 -0.00002790
1.46852948 -5.83691190 0.45325703
0.00058201 0.00092250 -0.00028546
-0.00133236 0.00730967 -0.00409427
-0.37779161 -3.78485010 -0.38927415
-0.00022674 -0.00001528 -0.00037625
0.00981967 -0.00551080 0.00027703
17.34145764 3.26328186 25.70855540
-0.00033186 -0.00018003 0.00007951
-0.00004987 -0.00532277 -0.00363174
16.71208630 3.66982215 28.42112100
0.00019157 0.00091788 -0.00085387
-0.01401430 -0.01921955 0.03097143
-10.64422226 7.60185391 -3.36907292
0.00053002 0.00048501 0.00026640
0.00396548 -0.02900934 -0.00985778
-8.36069032 6.98068854 -5.07872767
-0.00067340 -0.00000492 0.00030351
-0.01657418 -0.01778725 0.00276716
-6.21769053 15.90597854 -9.12007538
0.00040474 -0.00002646 -0.00038842
-0.00281945 0.00187702 -0.00799123
-4.49808153 14.42500652 -11.10581807
0.00061506 0.00004308 0.00014689
-0.00161670 -0.00154176 -0.00194571
2.74738029 11.08657485 -5.60493479
0.00006296 -0.00001415 -0.00007126
-0.00323508 -0.02275041 0.01825904
1.45135208 13.33825905 -6.91957427
0.00016944 0.00063009 0.00050783
-0.02635298 0.01919094 0.00498429
-2.50628820 11.01765436 -14.01300467
0.00078983 -0.00099853 0.00044418
-0.01048305 0.00968567 0.00242885
-5.16910179 10.72778403 -13.10380000
-0.00014313 -0.00013882 0.00020125
-0.01136373 -0.00274883 0.00236961
4.76252265 7.25019729 18.85608833
0.00035772 -0.00065713 -0.00081053
0.00579167 0.00164986 0.01352454
2.16993096 6.73939519 17.72655439
0.00034063 0.00003664 -0.00020835
-0.01249524 0.00082560 -0.00320159
-13.84638930 8.29682541 -9.01420778
-0.00121209 -0.00078654 -0.00073534
0.03891507 -0.00792136 -0.01130768
-16.01233385 8.36742370 -7.32768885
-0.00039116 -0.00040495 0.00010961
-0.01607646 0.00006596 -0.02114535
5.26002481 10.20207320 0.76708328
-0.00004538 -0.00154459 -0.00001075
0.02991252 0.03246040 -0.00090205
2.24650920 10.14264450 0.55861573
-0.00072126 -0.00077488 -0.00099462
-0.01396254 0.01423891 0.00330455
14.37719538 -23.79227724 -25.64012037
0.00019335 -0.00033333 -0.00030449
0.00565402 -0.00371505 -0.00262887
15.27445896 -25.01324472 -28.06399963
0.00004955 -0.00100552 0.00070321
-0.01785423 -0.01830937 -0.03576912
3.84854388 3.96554601 -0.00906330
-0.00010142 0.00086564 0.00157322
-0.01015629 -0.00653422 -0.00619920
5.70658027 5.73373468 1.28355822
0.00061373 -0.00070893 0.00015028
0.00054917 -0.01171297 -0.01419801
17.99017618 -3.68512102 -0.29517817
0.00044600 -0.00036159 0.00118107
-0.00853279 0.00073016 0.00906754
16.07784137 -5.78887913 -1.21869640
0.00039628 0.00081707 -0.00028064
0.02531797 0.00441516 0.02049066
-6.49887774 2.76821150 -1.79560515
-0.00152441 0.00013508 0.00069362
-0.01923598 0.00535038 0.01259425
-4.95899399 1.32773007 -3.76736307
-0.00028904 -0.00039526 0.00008601
-0.00143804 -0.00013926 0.00738721
2.52228206 3.00486894 -11.96059787
-0.00050840 0.00004625 -0.00122767
-0.01012796 -0.01278986 0.00603105
0.29437605 1.04447938 -10.86303809
-0.00033262 -0.00131276 -0.00027648
0.01554638 0.03613201 -0.01520693
16.79342581 7.93412223 -8.07641586
-0.00084912 0.00025672 -0.00052228
0.01895315 0.00676198 0.00033317
15.37214319 10.47349488 -6.45666855
-0.00022443 -0.00009913 0.00069669
0.02107455 0.01895593 -0.00207179
-7.34150111 1.16280134 11.18445476
-0.00009974 0.00119811 0.00038234
-0.00199407 -0.00145185 -0.01167864
-8.05946026 1.30679151 14.07304574
-0.00067024 0.00036676 0.00112536
0.01311843 0.00913055 -0.01713975
-2.60481572 -16.73194788 14.42316619
-0.00065815 0.00015422 0.00081569
-0.00992078 0.01672081 -0.02242292
-4.71835576 -17.81454674 12.51086745
0.00023417 -0.00087285 0.00050561
0.03022151 0.04239571 0.01016240
7.29673977 -6.17494830 -4.64856451
0.00062421 -0.00046641 0.00018167
-0.00681058 -0.00521389 0.02024228
5.42849494 -7.74956784 -6.44508422
-0.00051279 0.00036951 0.00045371
0.00221151 0.00783074 0.01383172
-2.84577079 -11.49587976 1.88896349
0.00030806 -0.00004356 -0.00047031
0.00088833 0.00161485 0.00483231
-0.34012017 -10.10383313 1.81599264
-0.00017889 -0.00065558 -0.00029363
-0.00628114 -0.01960456 0.00332418
-14.73929641 -0.73056568 6.28037781
-0.00000501 0.00024957 0.00036346
0.02699003 0.02173401 0.01806131
-15.61458414 -1.70142030 3.84304915
0.00047506 0.00059715 0.00099547
-0.00183634 -0.00327194 -0.02375911
-9.56962911 4.43559927 -23.70548126
-0.00009016 -0.00068501 0.00000691
-0.00438640 0.00549066 -0.00706210
-9.03473211 4.44513824 -20.87235532
-0.00012184 0.00063588 -0.00049154
0.00579852 0.02919712 0.03865733
2.12141296 0.49395756 -3.09339987
-0.00050337 -0.00162990 0.00003136
0.00148357 -0.00514563 -0.02262482
0.52613764 0.24154729 -0.65052736
0.00053710 -0.00008912 -0.00160128
-0.00246220 -0.00367794 -0.00094048
14.03153417 9.30360147 3.32533331
0.00000979 0.00011204 0.00022312
0.02416111 0.01387739 0.00703556
11.51448697 8.81549963 2.17480880
0.00075968 -0.00014256 0.00025852
0.00902344 -0.00577840 0.02722928
5.37454255 -9.29840024 -10.57086207
-0.00008238 -0.00008614 -0.00007785
-0.00071509 0.00998553 -0.01075555
-12.95070616 10.39201423 21.30035273
0.00014047 -0.00004120 0.00007969
0.01043704 -0.00239302 -0.00553727
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06716802
0.32479940
432.77891883
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1859816117
ExchangeOperator: bisection time: 2.328 s
total exchange = -52.4116954905 (a.u.)
total exchange computation time: 3.3254318237 s
-154.4137471120
-931.39202882
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1859816117
ExchangeOperator: bisection time: 2.330 s
total exchange = -52.4110690645 (a.u.)
total exchange computation time: 3.3256440163 s
-154.4195138981
Anderson extrapolation: theta=1.3586769334 (1.3586769334)
-931.39228963
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1859816117
ExchangeOperator: bisection time: 2.328 s
total exchange = -52.4101295215 (a.u.)
total exchange computation time: 3.3249218464 s
-154.4279435680
Anderson extrapolation: theta=0.0567452302 (0.0567452302)
-931.39244750
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1859816117
ExchangeOperator: bisection time: 2.328 s
total exchange = -52.4100058541 (a.u.)
total exchange computation time: 3.3246889114 s
-154.4289666917
Anderson extrapolation: theta=2.0731372497 (2.0000000000)
-931.39245443
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1859816117
ExchangeOperator: bisection time: 2.328 s
total exchange = -52.4097386491 (a.u.)
total exchange computation time: 3.3260190487 s
-154.4311370339
Anderson extrapolation: theta=0.2812143566 (0.2812143566)
-931.39246267
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1859816117
ExchangeOperator: bisection time: 2.328 s
total exchange = -52.4096628340 (a.u.)
total exchange computation time: 3.3247590065 s
-154.4317152346
Anderson extrapolation: theta=1.6078024658 (1.6078024658)
-931.39246462
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1859816117
ExchangeOperator: bisection time: 2.327 s
total exchange = -52.4095651719 (a.u.)
total exchange computation time: 3.3261380196 s
-154.4324128249
Anderson extrapolation: theta=0.3492441050 (0.3492441050)
-931.39246683
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1859816117
ExchangeOperator: bisection time: 2.328 s
total exchange = -52.4095565446 (a.u.)
total exchange computation time: 3.3232598305 s
-154.4324242334
Anderson extrapolation: theta=1.1231524854 (1.1231524854)
-931.39246751
282.532933 29.828111 158.494851
-143.102850 489.753462 -806.513603
139.430083 519.581574 -648.018752
842.219724
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1859816117
ExchangeOperator: bisection time: 2.328 s
total exchange = -52.4095666909 (a.u.)
total exchange computation time: 3.4857079983 s
679.45413658
-1084.81347913
89.68805667
-388.39682217
-174.91479329
78.90411163
551.60419304
0.00000000
-931.39246803
-8.65984519 -3.96751636 3.67166375
0.00010011 0.00003582 0.00011050
0.02872507 -0.00214141 -0.00598238
-17.75524915 4.28153425 6.41953423
0.00023768 -0.00030527 -0.00026450
-0.01670565 -0.02501030 -0.01526098
-15.49742222 -0.91055007 0.32741237
0.00028226 -0.00003320 -0.00005614
-0.01573753 -0.04806125 -0.02098686
3.03376182 -20.57141489 15.45421787
-0.00029123 -0.00009076 -0.00015806
0.01009374 0.00569687 0.01027956
7.81852723 16.01034067 -1.24216722
0.00029730 -0.00000528 0.00020259
-0.01306452 0.01054286 0.01073067
-9.98447814 9.42636259 11.00117802
-0.00022053 -0.00017469 -0.00017674
0.01806595 -0.04351571 -0.01221709
-8.35643883 -0.40560637 -14.34543891
-0.00016352 0.00009725 -0.00025267
-0.01920187 -0.00429333 -0.02648436
-10.80619783 2.36781411 -6.95740282
-0.00010487 -0.00027300 -0.00002933
0.00999413 -0.02613572 -0.02485946
-0.43461275 -5.72098981 15.47000546
-0.00027409 0.00003054 0.00035201
0.00310253 0.00105101 0.03854052
-25.80257216 -0.74674959 -20.64694971
-0.00015449 -0.00006741 0.00020535
0.03347389 0.01410972 0.00913689
8.88646540 7.48680697 7.80662880
0.00006731 -0.00010266 -0.00017305
0.00323170 -0.00987606 0.00483138
20.89291722 28.52955203 -5.03388943
0.00023544 -0.00033029 0.00005821
0.02149343 -0.01799583 -0.01041975
7.67871471 -1.54230402 -7.28239574
0.00003276 0.00004213 -0.00007449
0.06068767 -0.02612727 0.00655567
-9.19855712 -3.46253980 13.57233394
0.00020693 -0.00016890 0.00017500
-0.02518770 -0.05303008 0.03434004
-1.23443003 -22.66973579 14.10575825
0.00014871 0.00006883 0.00034978
-0.01245018 -0.01921249 0.01112765
-10.97634423 -8.66236925 -8.03701732
0.00008313 -0.00019789 0.00022092
-0.00625397 0.00876766 0.00368930
-15.92244079 -8.59654743 -15.52803923
-0.00011384 -0.00012547 -0.00007680
-0.00853042 -0.03717834 -0.00381034
16.99232723 12.80631537 3.59498546
0.00044397 0.00016325 -0.00007404
-0.00064579 -0.02337322 0.00572501
20.05802129 -4.62039189 -14.82346661
-0.00014302 0.00005588 -0.00021341
0.00304716 -0.00948121 -0.00063320
-0.29570764 8.10416612 -14.92087147
0.00017534 -0.00028034 -0.00009584
-0.00709567 -0.00277260 -0.00141845
0.56793439 -0.40224481 -17.02339661
-0.00019762 0.00047635 -0.00011276
0.03320050 -0.01673154 0.00768268
12.06401366 20.80828393 -23.18867469
0.00041187 -0.00056066 -0.00009564
-0.04165693 -0.04618568 -0.02321185
-11.36732171 15.15619097 -16.31580189
-0.00025361 -0.00034853 0.00000064
-0.02806907 -0.02641995 0.04932845
4.70209818 17.70509296 10.53141615
0.00021424 0.00025097 -0.00037356
-0.02795807 0.02066461 0.01920152
-2.15615740 -11.10143950 -3.54631991
-0.00009855 0.00000527 -0.00002405
-0.06112430 0.02268999 -0.00959400
1.36551155 -8.12945382 3.98682663
0.00029246 0.00005598 0.00047442
-0.02662040 0.00964769 -0.01372916
9.54282402 2.17952977 8.29726708
-0.00018732 0.00041705 0.00007577
-0.00387090 0.03163997 -0.00227064
-6.96656745 -9.03284505 -3.09351574
-0.00016590 0.00033113 0.00001370
-0.04614486 -0.02251185 0.01310947
3.80968544 -12.20464896 -13.19939212
-0.00015088 0.00021115 -0.00027370
-0.01688420 0.01823644 -0.01972007
1.26403054 -4.50722084 -0.81432832
0.00003432 -0.00004556 0.00031800
-0.00940601 -0.00057544 0.00076502
17.28534795 4.53104965 26.99662321
0.00040060 -0.00000981 -0.00018179
0.01805025 0.02585449 -0.03476135
-9.79958034 6.06502278 -4.14470478
-0.00028253 0.00023382 0.00066683
0.00631634 0.06208875 0.01097326
-4.69708860 14.93919059 -9.36378793
0.00032486 0.00000465 -0.00010726
0.00724257 -0.00009807 0.01670201
2.87534254 12.27649196 -6.92251536
-0.00019383 0.00024822 -0.00013294
0.03148092 0.00923324 -0.02149287
-4.05615970 12.03576157 -13.69711608
0.00015546 0.00032159 0.00011722
0.02443845 -0.01906962 -0.00305708
3.84316977 7.33788851 17.30475472
-0.00004644 0.00006176 0.00011279
0.00605034 0.00085082 -0.00849685
-15.57607042 8.63301088 -9.13386199
-0.00009942 -0.00010611 0.00006409
-0.02776007 0.00703819 0.03214713
3.79144660 9.26963630 0.63777404
0.00026082 0.00017795 0.00021755
-0.02433673 -0.06133214 -0.00244586
15.89230473 -24.10176922 -26.70376588
0.00008298 -0.00013441 0.00000691
0.01212417 0.01908705 0.04116830
5.61724201 4.13685143 0.33036052
-0.00025769 0.00001420 0.00032687
0.01129469 0.01621701 0.01889520
17.32872853 -5.34549731 0.13104814
0.00012243 -0.00013800 -0.00037936
-0.02057376 -0.01433026 -0.01804513
-4.80079877 2.42194143 -2.28275011
0.00019205 0.00008162 0.00030721
0.01942044 -0.00145758 -0.01772975
0.73089625 2.59098262 -11.93200935
-0.00008869 0.00026979 -0.00019773
-0.01471841 -0.02900117 0.00255816
15.40718459 8.83807875 -7.16132627
-0.00009177 -0.00011714 0.00035422
-0.03972786 -0.02684412 0.00251104
-6.60452621 1.09509646 12.83540507
-0.00028513 0.00016282 -0.00005663
-0.00640889 0.00259076 0.02954659
-3.61495474 -16.20304197 12.86934916
-0.00018331 -0.00001033 -0.00014243
-0.02470438 -0.05916989 0.00654629
6.93800951 -6.63800580 -6.37890585
-0.00021661 0.00040027 -0.00030886
-0.00480737 -0.00723171 -0.01625243
-1.14502695 -11.71035238 1.19904851
-0.00017495 -0.00007481 -0.00036371
0.00191838 0.01872898 0.00761301
-15.94973381 -1.81368834 5.62288633
0.00028872 -0.00009869 0.00041222
-0.02951905 -0.02107902 0.00443382
-9.27482171 3.36825319 -22.23436019
-0.00014888 -0.00019826 -0.00028779
-0.00148243 -0.02622987 -0.01583415
1.91154376 1.09464276 -1.42218828
-0.00032571 -0.00001834 -0.00000267
0.00683142 0.01779567 0.01077645
12.56969268 8.35671594 3.70998068
0.00000352 -0.00030380 -0.00034024
-0.03413215 -0.00814029 -0.03095894
-7.04838758 -4.49106606 2.82741583
0.00119520 -0.00002824 -0.00121491
-0.02152301 0.01349698 -0.00138158
-9.88310660 -3.73231342 2.33882703
0.00159425 0.00083623 -0.00009699
0.00537902 0.00938466 -0.01111903
-16.40812985 5.39175206 6.73968417
0.00025837 -0.00014324 0.00016426
0.02370998 0.02482187 0.00711310
-17.42031736 3.64519138 4.71839384
-0.00088955 0.00015035 0.00014515
-0.00435108 0.00232457 0.01030121
-15.92188590 0.85938175 0.48430041
0.00053684 -0.00095403 -0.00090965
-0.00935260 0.00838330 -0.00892943
-16.80555251 -1.86873193 -0.75534627
-0.00074544 0.00048035 -0.00112341
0.03008359 0.03861602 0.03156379
1.25913614 -21.00387146 15.17432530
-0.00037202 0.00154554 0.00079231
-0.00068885 0.00617533 -0.00204038
3.15992704 -18.82614633 16.05816090
-0.00106402 0.00022502 -0.00013847
-0.00162097 -0.01290327 -0.00816078
8.05750126 14.18156679 -1.22534406
0.00003345 0.00028018 0.00027028
0.00279334 -0.00449817 0.00774568
6.78880860 16.43562563 0.25541188
-0.00039474 -0.00004464 -0.00100186
0.01439907 -0.00768412 -0.01920183
-8.88160737 9.00067903 12.44283642
-0.00095955 -0.00132698 0.00001616
-0.00460562 0.00574445 -0.00003591
-10.79863840 10.92930095 11.38987946
0.00013731 0.00025335 0.00011902
-0.01043954 0.03993931 0.01589310
-10.08026766 0.39518015 -14.44238156
0.00065458 -0.00032324 0.00034603
0.02152613 -0.00741900 0.00545117
-8.27268782 -1.38174672 -15.96703819
-0.00063430 0.00189108 -0.00006188
0.00132006 0.01108578 0.02278194
-12.01352987 1.01179814 -6.82620274
0.00056135 0.00052772 0.00033813
-0.01033302 0.00039253 0.00367344
-11.12132646 3.73763463 -5.84409614
0.00037800 0.00060704 0.00022765
-0.00308655 0.01288687 0.01477829
-1.98789152 -6.47170514 14.80073427
0.00013847 0.00018432 0.00034485
-0.00506509 0.00148747 -0.00203979
-0.51230958 -5.83238275 17.38060041
-0.00021376 -0.00055752 0.00021689
0.00053434 0.00097133 -0.03752924
-24.30394473 -0.25593203 -19.57288202
0.00086260 0.00013701 -0.00115506
-0.02296528 -0.00874817 -0.01597641
-25.93049883 0.43931036 -22.09415931
-0.00108165 -0.00039194 -0.00111687
-0.00268188 0.00198913 0.00741528
9.89047063 7.80838847 6.32607546
0.00096151 -0.00136703 0.00036016
0.00702505 0.00426421 -0.01169690
10.08940478 8.00756631 9.13735505
0.00009314 0.00021467 -0.00070572
-0.00193254 0.00041336 0.00057728
19.93842297 27.64346926 -3.80459321
0.00027586 0.00030716 0.00029107
-0.01183720 -0.01297815 0.01696008
20.49986260 30.28605824 -4.78805124
0.00023260 -0.00057832 -0.00030610
-0.00768844 0.02449238 0.00730227
6.03720523 -0.97654061 -7.39908943
-0.00042183 0.00015408 -0.00051258
-0.04902425 0.01959303 -0.00205724
7.63119829 -3.37601381 -7.00000424
-0.00054761 -0.00016911 0.00020651
-0.01318815 0.01294113 -0.00398188
-8.48913745 -2.29541501 12.47679207
0.00021622 0.00023537 -0.00004276
0.01028133 0.03473842 -0.03154658
-11.04134770 -3.41897743 13.58790846
-0.00020095 0.00084399 0.00015996
0.01293929 0.01779469 -0.00846217
-0.89619560 -24.44993427 14.67854027
-0.00005845 -0.00035988 -0.00119876
-0.00981053 0.01620364 -0.00756217
-3.05164509 -22.31663103 14.38617512
-0.00024026 -0.00055926 0.00028246
0.01636591 -0.00678030 -0.00882897
-12.70199342 -8.28781894 -7.46011796
-0.00034698 -0.00040744 -0.00018894
-0.00139520 -0.00784855 0.00660498
-10.46304403 -6.91669848 -8.19595490
0.00085675 0.00200313 0.00117184
0.01532491 -0.00358210 -0.00825293
-16.02652389 -10.51810565 -15.60925834
0.00060381 0.00025624 0.00107230
0.00580099 0.04315879 0.00478025
-14.26634901 -8.00492944 -16.15908195
-0.00008778 0.00017581 0.00013007
-0.00347873 -0.00657114 0.00061252
17.37346532 12.88218760 5.41459849
-0.00009183 -0.00008079 0.00017083
-0.00390974 0.00194721 -0.00740595
16.99804822 14.42795432 2.81704366
-0.00015750 -0.00011697 0.00014350
0.00507839 0.01280339 -0.00492383
18.23292681 -4.68957286 -14.85445577
-0.00029854 -0.00039531 0.00036490
0.00814285 0.01014213 -0.00167477
20.68873339 -2.99363373 -15.42498472
-0.00070537 -0.00117940 0.00015118
-0.00828531 -0.00253386 -0.00201585
-0.21103093 6.61362030 -13.86128803
0.00116709 -0.00024920 -0.00075278
-0.00675287 -0.00360096 -0.00035073
-0.45153764 7.48244714 -16.63387519
-0.00083286 0.00134468 0.00016398
-0.00034107 0.00096454 0.00181929
0.53396928 0.76990687 -15.60094330
-0.00064105 0.00076644 0.00008925
0.00083466 0.00303115 0.00055059
2.33886745 -1.16281034 -16.91954558
-0.00009492 -0.00035562 0.00029018
-0.03404081 0.01810144 -0.00401809
12.38749458 22.34954642 -22.41312049
-0.00044191 0.00078854 -0.00019079
0.01316872 0.04475463 0.01993390
10.17749937 20.90855455 -23.37941101
0.00048968 0.00000223 0.00002915
0.02388508 -0.00696405 0.00246070
-10.23734783 16.00854909 -17.36983455
-0.00033315 0.00020153 -0.00028999
0.02889300 0.02035809 -0.02855950
-10.94186222 15.87314756 -14.67987559
-0.00028606 0.00086123 0.00018993
-0.00608490 -0.00548359 -0.00655385
3.43816279 18.73684928 11.55113106
0.00102473 -0.00067949 -0.00015856
0.03056966 -0.02351423 -0.03177947
4.78422902 18.38511402 8.80765949
0.00025069 -0.00019198 -0.00030079
-0.00224536 -0.00333527 0.01264005
-4.00310336 -10.46498482 -3.33822121
0.00065641 -0.00003041 -0.00084195
0.04231233 -0.01090428 -0.02567673
-1.92629904 -11.18957047 -1.74408457
-0.00067382 0.00040935 0.00023047
0.02522442 -0.00967337 0.01907071
0.00719137 -7.45136359 5.04318496
-0.00038161 0.00019577 0.00018052
0.01159899 0.00122866 -0.00029050
2.81548088 -8.43777010 5.01774834
-0.00015794 0.00031427 -0.00050186
0.01699710 0.00062725 0.01229576
7.74120061 1.92413849 8.42860212
-0.00007127 0.00033227 -0.00079212
0.00038289 0.00318356 0.00426342
9.66819474 4.10460603 8.19430569
-0.00034702 0.00019433 0.00115820
-0.00394335 -0.02960518 -0.00052441
-8.33034360 -8.46031270 -4.18070034
-0.00096388 0.00060951 -0.00022753
0.00774226 0.00867802 -0.01227222
-8.12371958 -10.17916897 -2.11153908
-0.00008557 0.00038267 -0.00036692
0.02272113 0.01303392 -0.00107011
4.67426798 -13.38488218 -12.20654659
0.00014093 0.00015122 -0.00024303
0.01228304 -0.02641247 0.01589715
2.30333185 -12.99218768 -13.95801226
-0.00048866 0.00060013 -0.00052763
0.00505298 0.00183653 0.00078019
1.47721875 -5.82285038 0.44884969
0.00057733 0.00094146 -0.00029130
-0.00095651 0.00197021 0.00123363
-0.38089173 -3.78524814 -0.39490941
-0.00018518 -0.00003893 -0.00037453
0.01052020 -0.00606775 0.00056524
17.33647815 3.26041828 25.70963672
-0.00033150 -0.00020247 0.00006340
0.00022701 -0.00566255 -0.00425124
16.71453045 3.68300146 28.40926194
0.00012837 0.00083161 -0.00071234
-0.01692375 -0.02301265 0.03831189
-10.63615047 7.60824017 -3.36537893
0.00054268 0.00036906 0.00022881
0.00223353 -0.02775154 -0.00854691
-8.37129923 6.98006967 -5.07409021
-0.00073799 -0.00007718 0.00031332
-0.01504392 -0.01758631 0.00203283
-6.21170585 15.90563919 -9.12614649
0.00039174 -0.00001808 -0.00042085
-0.00354139 0.00222558 -0.00788784
-4.48890511 14.42560550 -11.10367436
0.00060872 0.00003564 0.00013564
-0.00148977 -0.00210015 -0.00356232
2.74822554 11.08566553 -5.60544419
0.00004996 -0.00010381 -0.00000008
-0.00312687 -0.02114312 0.01658417
1.45308608 13.34829846 -6.91180412
0.00006159 0.00070834 0.00052836
-0.02643707 0.01911305 0.00506752
-2.49476205 11.00297321 -14.00626752
0.00073590 -0.00095096 0.00045587
-0.01591629 0.01359863 0.00329374
-5.17159691 10.72561748 -13.10070869
-0.00018456 -0.00014332 0.00020823
-0.00891604 0.00054467 0.00105102
4.76806597 7.24039096 18.84434478
0.00038539 -0.00065114 -0.00074758
0.00775058 0.00128023 0.01729145
2.17465750 6.73997008 17.72333103
0.00028462 0.00003794 -0.00021940
-0.01492087 -0.00018703 -0.00220557
-13.86337823 8.28478460 -9.02558434
-0.00103548 -0.00082288 -0.00078014
0.04753759 -0.00986745 -0.01062599
-16.01869390 8.36135151 -7.32669266
-0.00045550 -0.00040423 0.00002143
-0.01541999 0.00028482 -0.02201721
5.26026069 10.17989897 0.76689436
0.00009512 -0.00139765 -0.00001308
0.03886631 0.03947161 -0.00023927
2.23526239 10.13145756 0.54379766
-0.00076844 -0.00071955 -0.00098096
-0.00913278 0.01285011 0.00338495
14.38026883 -23.79739097 -25.64476825
0.00021368 -0.00034734 -0.00031223
0.00430051 -0.00314582 -0.00116263
15.27465507 -25.02888861 -28.05454760
-0.00002261 -0.00108071 0.00055680
-0.01746834 -0.01849593 -0.03590061
3.84671137 3.97833039 0.01434510
-0.00014939 0.00083795 0.00154623
-0.01332344 -0.00702116 -0.00701671
5.71580307 5.72274177 1.28537732
0.00061729 -0.00074839 0.00009712
0.00119291 -0.00760172 -0.01182544
17.99660473 -3.69052255 -0.27718422
0.00041351 -0.00035176 0.00121621
-0.00737346 0.00408182 0.00813101
16.08456141 -5.77648774 -1.22227813
0.00049549 0.00083350 -0.00020146
0.02324299 0.00362657 0.01826903
-6.52233330 2.77040163 -1.78481487
-0.00157650 0.00015149 0.00073821
-0.00626509 0.00268147 0.00923355
-4.96337367 1.32179696 -3.76584658
-0.00029397 -0.00039164 0.00012123
-0.00097443 0.00190929 0.00985224
2.51434574 3.00517077 -11.97882818
-0.00054222 -0.00000522 -0.00120278
-0.00642871 -0.01240713 0.00615398
0.28986314 1.02589517 -10.86765122
-0.00026603 -0.00115470 -0.00034442
0.01705105 0.04123949 -0.01805363
16.78126982 7.93818029 -8.08423992
-0.00076900 0.00028319 -0.00052181
0.02026735 0.00619396 -0.00010216
15.36942249 10.47258883 -6.44628175
-0.00013842 -0.00002441 0.00068621
0.02102946 0.01761965 -0.00305678
-7.34305838 1.18072847 11.18983205
-0.00011131 0.00119271 0.00032934
-0.00366611 -0.00118879 -0.01426757
-8.06911193 1.31257268 14.08940096
-0.00061049 0.00040300 0.00104774
0.01613291 0.00860961 -0.02085937
-2.61499197 -16.72912216 14.43471438
-0.00069977 0.00022432 0.00072026
-0.01045268 0.01759074 -0.02429069
-4.71391716 -17.82634033 12.51876293
0.00035748 -0.00069723 0.00054599
0.03013853 0.04356847 0.00960769
7.30589420 -6.18210426 -4.64521916
0.00059567 -0.00048878 0.00025827
-0.00716089 -0.00573500 0.01725232
5.42087087 -7.74378530 -6.43785465
-0.00050141 0.00040261 0.00050887
0.00336116 0.00837626 0.01316939
-2.84112272 -11.49648365 1.88205687
0.00030504 -0.00003671 -0.00044802
-0.00236563 0.00173769 0.00608058
-0.34299595 -10.11426760 1.81169005
-0.00020162 -0.00073031 -0.00027841
-0.00484464 -0.01697623 0.00412574
-14.73854443 -0.72615615 6.28638310
0.00010397 0.00033755 0.00043794
0.02635201 0.02133128 0.01839868
-15.60751458 -1.69256338 3.85725318
0.00046801 0.00058318 0.00089099
-0.00161233 -0.00356573 -0.02738689
-9.57111599 4.42549237 -23.70559404
-0.00011014 -0.00065814 -0.00002823
-0.00539230 0.00766471 -0.01013926
-9.03638204 4.45557116 -20.87854381
-0.00009908 0.00074954 -0.00034013
0.00534057 0.02643823 0.03545801
2.11390795 0.46935133 -3.09362278
-0.00049565 -0.00164566 -0.00005276
0.00229424 -0.00256553 -0.01855377
0.53411868 0.24009777 -0.67457540
0.00050878 -0.00011403 -0.00159204
-0.01140017 -0.00851615 0.00546565
14.03242145 9.30570736 3.32889573
0.00010648 0.00016725 0.00025301
0.02316785 0.01314710 0.00759530
11.52615872 8.81318416 2.17952091
0.00079019 -0.00016421 0.00036206
0.00591145 -0.00481847 0.02345446
5.37330490 -9.29966550 -10.57205873
-0.00008263 -0.00008254 -0.00008169
-0.00064661 0.01010349 -0.01066307
-12.94858096 10.39139205 21.30153851
0.00014290 -0.00004176 0.00007840
0.01048540 -0.00241884 -0.00564899
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06700872
0.32545931
433.65820937
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1861114116
ExchangeOperator: bisection time: 2.149 s
total exchange = -52.4163167864 (a.u.)
total exchange computation time: 3.3741889000 s
-154.4352402370
-931.39282655
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1861114116
ExchangeOperator: bisection time: 2.238 s
total exchange = -52.4155910659 (a.u.)
total exchange computation time: 3.3740048409 s
-154.4416027834
Anderson extrapolation: theta=1.3620293509 (1.3620293509)
-931.39308666
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1861114116
ExchangeOperator: bisection time: 2.237 s
total exchange = -52.4144910292 (a.u.)
total exchange computation time: 3.3750150204 s
-154.4509935258
Anderson extrapolation: theta=0.0581638599 (0.0581638599)
-931.39324477
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1861114116
ExchangeOperator: bisection time: 2.237 s
total exchange = -52.4143390480 (a.u.)
total exchange computation time: 3.3741438389 s
-154.4521790386
Anderson extrapolation: theta=2.0902662863 (2.0000000000)
-931.39325182
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1861114116
ExchangeOperator: bisection time: 2.238 s
total exchange = -52.4140089158 (a.u.)
total exchange computation time: 3.3754639626 s
-154.4546964902
Anderson extrapolation: theta=0.2884010707 (0.2884010707)
-931.39326007
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1861114116
ExchangeOperator: bisection time: 2.239 s
total exchange = -52.4139102161 (a.u.)
total exchange computation time: 3.3761699200 s
-154.4553917256
Anderson extrapolation: theta=1.5172696145 (1.5172696145)
-931.39326190
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1861114116
ExchangeOperator: bisection time: 2.240 s
total exchange = -52.4137850709 (a.u.)
total exchange computation time: 3.3762490749 s
-154.4562024056
Anderson extrapolation: theta=0.3481754318 (0.3481754318)
-931.39326369
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1861114116
ExchangeOperator: bisection time: 2.238 s
total exchange = -52.4137678573 (a.u.)
total exchange computation time: 3.3751151562 s
-154.4562408540
Anderson extrapolation: theta=1.0615477029 (1.0615477029)
-931.39326416
282.550944 29.852039 158.545037
-143.130115 489.777659 -806.544739
139.420829 519.629698 -647.999702
842.233224
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1861114116
ExchangeOperator: bisection time: 2.240 s
total exchange = -52.4137704108 (a.u.)
total exchange computation time: 3.3759551048 s
679.51215990
-1084.94789209
89.68719939
-388.30503134
-174.92592985
78.98120120
551.60419304
0.00000000
-931.39326440
-8.65823270 -3.96698730 3.67329820
0.00011765 0.00003391 0.00010725
0.03945957 -0.00530237 -0.00666654
-17.75174837 4.27685879 6.41550781
0.00022920 -0.00031726 -0.00027078
-0.01627844 -0.02164723 -0.00914204
-15.49324910 -0.91123351 0.32648925
0.00027361 -0.00006004 -0.00006792
-0.01787432 -0.05629866 -0.02481693
3.02943231 -20.57275438 15.45188658
-0.00028575 -0.00008690 -0.00015245
0.01123081 0.00933338 0.01153573
7.82293634 16.01030211 -1.23908690
0.00029106 0.00000034 0.00020712
-0.01120315 0.01133898 0.00686794
-9.98771646 9.42357443 10.99847976
-0.00021167 -0.00019639 -0.00018285
0.01638882 -0.04089329 -0.01155119
-8.35896571 -0.40416425 -14.34933113
-0.00017240 0.00009545 -0.00026484
-0.01533634 -0.00270701 -0.02085263
-10.80773226 2.36361836 -6.95793864
-0.00009855 -0.00028358 -0.00004120
0.01456589 -0.01501446 -0.02129162
-0.43871218 -5.72052772 15.47543428
-0.00027191 0.00003126 0.00037182
0.00539906 0.00174624 0.03851142
-25.80476046 -0.74770631 -20.64383425
-0.00013738 -0.00005951 0.00020897
0.03309198 0.01660315 0.00493801
8.88748752 7.48522892 7.80405162
0.00006874 -0.00010782 -0.00017070
0.00233431 -0.01016120 0.00433664
20.89653171 28.52452831 -5.03305643
0.00024661 -0.00033974 0.00005266
0.02195303 -0.01875327 -0.01118145
7.67944020 -1.54177284 -7.28348775
0.00006235 0.00002884 -0.00007112
0.05439039 -0.02555325 0.00654295
-9.19555031 -3.46527784 13.57509136
0.00019364 -0.00019520 0.00019178
-0.02650012 -0.04923478 0.03092484
-1.23224743 -22.66877737 14.11104794
0.00014174 0.00005907 0.00035536
-0.01465449 -0.01874317 0.01054598
-10.97512133 -8.66530373 -8.03368926
0.00008084 -0.00018957 0.00022264
-0.00267132 0.02356015 0.00297349
-15.92418124 -8.59857291 -15.52920597
-0.00011803 -0.00014379 -0.00007863
-0.00777272 -0.03406629 -0.00331158
16.99898427 12.80867402 3.59389694
0.00044368 0.00015056 -0.00007066
-0.00046130 -0.02600021 0.00742876
20.05588769 -4.61959020 -14.82667018
-0.00014263 0.00004862 -0.00021285
-0.00152189 -0.01877692 0.00281399
-0.29310489 8.09995028 -14.92231460
0.00017175 -0.00028058 -0.00009564
-0.00688540 0.00184503 0.00222682
0.56509814 -0.39516415 -17.02505842
-0.00018019 0.00046784 -0.00010841
0.03457471 -0.01633490 0.00924619
12.07003101 20.79969583 -23.19019881
0.00039103 -0.00058182 -0.00010627
-0.03935977 -0.03608287 -0.01811325
-11.37123412 15.15086104 -16.31560208
-0.00026696 -0.00036107 0.00002632
-0.02383645 -0.02231571 0.05056327
4.70520400 17.70893720 10.52588683
0.00020088 0.00026046 -0.00036392
-0.02400821 0.01623442 0.01827019
-2.15787141 -11.10127295 -3.54671762
-0.00012898 0.00001663 -0.00002880
-0.05723288 0.02148256 -0.00887850
1.36979578 -8.12857687 3.99388995
0.00027658 0.00006144 0.00046638
-0.03514013 0.01156572 -0.01754776
9.53999923 2.18590753 8.29839481
-0.00018906 0.00043290 0.00007471
-0.00286080 0.03000562 -0.00181715
-6.96923392 -9.02796489 -3.09325967
-0.00019045 0.00032035 0.00001916
-0.04931167 -0.01942999 0.00811714
3.80735708 -12.20141134 -13.20357371
-0.00015945 0.00022010 -0.00028357
-0.01641845 0.01657446 -0.01863917
1.26450900 -4.50790647 -0.80955532
0.00002925 -0.00004429 0.00031685
-0.01030123 0.00551058 -0.00524951
17.29142665 4.53100216 26.99376233
0.00041046 0.00000426 -0.00020102
0.02028032 0.02887368 -0.04003474
-9.80379389 6.06876962 -4.13465998
-0.00027923 0.00026503 0.00067217
0.00649761 0.05926428 0.00978025
-4.69218778 14.93925992 -9.36533237
0.00032868 0.00000465 -0.00009832
0.00762249 0.00009088 0.01806486
2.87255647 12.28025086 -6.92459243
-0.00017794 0.00025257 -0.00014337
0.03031863 0.00767958 -0.01904723
-4.05373352 12.04051189 -13.69536960
0.00016857 0.00031001 0.00011577
0.02654627 -0.02596407 -0.00259055
3.84249654 7.33881812 17.30641386
-0.00004318 0.00006254 0.00010738
0.00659936 0.00219207 -0.01257831
-15.57766882 8.63144636 -9.13277656
-0.00011563 -0.00010206 0.00008052
-0.03529008 0.00871937 0.03172821
3.79526502 9.27206900 0.64102779
0.00024498 0.00014540 0.00021615
-0.03726241 -0.06525066 -0.00297120
15.89359621 -24.10371179 -26.70350344
0.00008936 -0.00012495 0.00002728
0.01269637 0.01771741 0.03802997
5.61342022 4.13712700 0.33533644
-0.00025136 0.00002152 0.00033603
0.01332592 0.01224942 0.01674425
17.33048555 -5.34762251 0.12528806
0.00011220 -0.00014585 -0.00038759
-0.01918429 -0.01620913 -0.01395838
-4.79784316 2.42316006 -2.27821037
0.00019886 0.00008094 0.00029836
0.00707101 -0.00116169 -0.01667629
0.72950909 2.59491754 -11.93496546
-0.00009758 0.00025369 -0.00019581
-0.01983266 -0.03360711 0.00492004
15.40565483 8.83621809 -7.15600328
-0.00011246 -0.00013039 0.00035595
-0.04074221 -0.02467661 0.00422619
-6.60882791 1.09754871 12.83466962
-0.00028877 0.00016418 -0.00004007
-0.00774468 0.00270778 0.03485617
-3.61779968 -16.20342510 12.86723791
-0.00019580 -0.00004102 -0.00013855
-0.02385990 -0.06019440 0.00856642
6.93474185 -6.63202966 -6.38360148
-0.00021920 0.00039656 -0.00031614
-0.00526151 -0.00718045 -0.01204177
-1.14764380 -11.71140234 1.19362223
-0.00017347 -0.00006594 -0.00036042
0.00383714 0.01579233 0.00516166
-15.94551693 -1.81525000 5.62908669
0.00027395 -0.00010915 0.00041529
-0.02791387 -0.01959572 0.00752811
-9.27706069 3.36517814 -22.23873815
-0.00014926 -0.00021122 -0.00029403
0.00001471 -0.02418458 -0.00841746
1.90668441 1.09443628 -1.42218671
-0.00032007 -0.00000868 0.00000008
0.01510942 0.01978124 -0.00009089
12.56961380 8.35212760 3.70475771
-0.00001260 -0.00030801 -0.00035517
-0.02856468 -0.00824245 -0.02711826
-7.03111915 -4.49107600 2.80914977
0.00109424 0.00003078 -0.00121132
-0.02789667 0.01539128 0.00314150
-9.85902799 -3.71948232 2.33703149
0.00160664 0.00087628 -0.00015025
0.00068548 0.01021803 -0.01495150
-16.40352777 5.39036412 6.74236598
0.00035130 -0.00004551 0.00019105
0.02178019 0.02301691 0.00600023
-17.43379400 3.64751784 4.72088674
-0.00090422 0.00015667 0.00017725
-0.00282988 0.00077116 0.00541413
-15.91411985 0.84532820 0.47038210
0.00049577 -0.00090479 -0.00094388
-0.01075121 0.01571892 -0.00783015
-16.81581231 -1.86034334 -0.77123023
-0.00061542 0.00064003 -0.00098870
0.03356606 0.03954932 0.03437667
1.25353468 -20.98049917 15.18614743
-0.00037936 0.00156579 0.00078171
-0.00290389 0.00373854 -0.00314840
3.14391706 -18.82316647 16.05583384
-0.00106742 0.00016946 -0.00017227
-0.00004493 -0.01429171 -0.00838697
8.05808861 14.18563161 -1.22105253
0.00004557 0.00025756 0.00030187
0.00313981 -0.00657343 0.00771985
6.78332871 16.43472054 0.23979550
-0.00034047 -0.00007363 -0.00107284
0.01216480 -0.00650367 -0.01553900
-8.89614175 8.98095036 12.44307769
-0.00097825 -0.00130222 0.00001583
-0.00454799 0.00637517 -0.00012614
-10.79689861 10.93432507 11.39215178
0.00009845 0.00041044 0.00018301
-0.00858540 0.03695781 0.01542906
-10.06978936 0.39010415 -14.43702405
0.00073236 -0.00034817 0.00036849
0.01654923 -0.00478101 0.00554439
-8.28216194 -1.35304074 -15.96726821
-0.00062644 0.00192755 0.00001947
0.00253020 0.00676369 0.01703522
-12.00542628 1.01972603 -6.82101822
0.00050815 0.00051733 0.00035454
-0.01570740 -0.00548174 0.00435974
-11.11575099 3.74713511 -5.84022861
0.00036770 0.00064991 0.00028015
-0.00195538 0.00809920 0.01092321
-1.98596961 -6.46889472 14.80584456
0.00011327 0.00018791 0.00033437
-0.00727467 0.00027038 -0.00309401
-0.51549959 -5.84071577 17.38270376
-0.00021169 -0.00055283 0.00006559
0.00047760 0.00132522 -0.03653378
-24.29170949 -0.25414488 -19.59069756
0.00076791 0.00010146 -0.00121959
-0.02338615 -0.00865475 -0.01560705
-25.94680573 0.43349218 -22.11068518
-0.00109108 -0.00038910 -0.00107854
-0.00193757 -0.00059977 0.01134739
9.90510857 7.78801368 6.33111948
0.00099009 -0.00134943 0.00030905
0.00696459 0.00435273 -0.01332134
10.09074265 8.01079904 9.12678693
0.00008659 0.00021745 -0.00069892
-0.00127250 0.00094891 0.00275047
19.94219807 27.64767895 -3.79970750
0.00022644 0.00025243 0.00036192
-0.01235163 -0.01381177 0.01772412
20.50311607 30.27813403 -4.79241905
0.00020090 -0.00047492 -0.00027646
-0.00783030 0.02612011 0.00720968
6.02937556 -0.97362903 -7.40684123
-0.00060968 0.00023033 -0.00052053
-0.04293115 0.01773307 -0.00183434
7.62257994 -3.37815392 -6.99702860
-0.00060087 -0.00011379 0.00018976
-0.01288188 0.01413736 -0.00421739
-8.48557908 -2.29082000 12.47518397
0.00025547 0.00037075 -0.00016494
0.00893228 0.03153068 -0.02826067
-11.04396541 -3.40577234 13.59004849
-0.00014321 0.00091582 0.00012601
0.01532412 0.01736967 -0.00815475
-0.89737302 -24.45483587 14.66032722
-0.00009744 -0.00029437 -0.00122783
-0.00927229 0.01586222 -0.00667174
-3.05474755 -22.32522763 14.39014153
-0.00017062 -0.00058686 0.00024564
0.01772747 -0.00673350 -0.00919861
-12.70724095 -8.29417112 -7.46274973
-0.00034890 -0.00043862 -0.00016350
0.00045760 -0.00741113 0.00585022
-10.44972323 -6.88676130 -8.17863016
0.00090859 0.00195743 0.00114078
0.01005158 -0.01878965 -0.00695288
-16.01728893 -10.51293953 -15.59302735
0.00062637 0.00042664 0.00109007
0.00524154 0.04025354 0.00391762
-14.26777238 -8.00249364 -16.15711218
-0.00010232 0.00014871 0.00013284
-0.00363690 -0.00669648 0.00074621
17.37196804 12.88103539 5.41693405
-0.00010772 -0.00007253 0.00013938
-0.00386850 0.00209580 -0.00799100
16.99584141 14.42659204 2.81904528
-0.00013708 -0.00006002 0.00012154
0.00491668 0.01507700 -0.00582419
18.22869829 -4.69519172 -14.84903356
-0.00026256 -0.00035345 0.00035781
0.00946852 0.01034994 -0.00179475
20.67789897 -3.01140238 -15.42277886
-0.00073288 -0.00117105 0.00013634
-0.00518007 0.00662213 -0.00524674
-0.19373143 6.60977195 -13.87259055
0.00113950 -0.00026871 -0.00075190
-0.00675596 -0.00594948 0.00078464
-0.46404094 7.50264693 -16.63135977
-0.00083499 0.00134393 0.00016146
-0.00070462 -0.00133287 -0.00305295
0.52437904 0.78149638 -15.59958765
-0.00063658 0.00077488 0.00008765
0.00135764 0.00110117 -0.00133701
2.33640056 -1.16758990 -16.91531597
-0.00023756 -0.00027873 0.00027402
-0.03578332 0.01953312 -0.00389367
12.38126946 22.36274593 -22.41537154
-0.00039047 0.00095303 -0.00011849
0.01201260 0.03576570 0.01545834
10.18557647 20.90837465 -23.37889832
0.00058489 -0.00002854 0.00003815
0.02272129 -0.00809875 0.00194254
-10.24145963 16.01219585 -17.37505962
-0.00022061 0.00028098 -0.00040209
0.02619293 0.01853231 -0.02631244
-10.94633955 15.88589799 -14.67722748
-0.00031307 0.00083498 0.00015541
-0.00713568 -0.00736746 -0.01034499
3.45447042 18.72593631 11.54777876
0.00114192 -0.00076845 -0.00028372
0.02679652 -0.02002992 -0.02948436
4.78792061 18.38213216 8.80353502
0.00024108 -0.00020374 -0.00025179
-0.00245982 -0.00242086 0.01134447
-3.99196064 -10.46577510 -3.35163724
0.00082145 -0.00007257 -0.00094565
0.03847822 -0.00973428 -0.02508418
-1.93563333 -11.18372661 -1.74004314
-0.00057124 0.00036984 0.00030593
0.02498824 -0.00966908 0.01786930
0.00182268 -7.44838939 5.04588384
-0.00032910 0.00019860 0.00017722
0.01410381 0.00015917 -0.00132214
2.81363259 -8.43303686 5.01059729
-0.00007679 0.00031440 -0.00044183
0.02272566 -0.00056239 0.01708459
7.74014333 1.92922009 8.41685100
-0.00007246 0.00034490 -0.00077443
-0.00096780 0.00299878 0.00439557
9.66286864 4.10661381 8.21166255
-0.00036248 0.00007661 0.00115502
-0.00362728 -0.02801933 -0.00102918
-8.34456452 -8.45090411 -4.18448934
-0.00092342 0.00064097 -0.00027037
0.01206257 0.00671876 -0.00869873
-8.12430685 -10.17302954 -2.11707570
0.00000504 0.00043346 -0.00036886
0.02163246 0.01183012 0.00011880
4.67675834 -13.38342322 -12.20970483
0.00018763 0.00004625 -0.00018121
0.01057535 -0.02497102 0.01436332
2.29615686 -12.98312946 -13.96590286
-0.00046517 0.00060785 -0.00052292
0.00644309 0.00194254 0.00152618
1.48584940 -5.80866811 0.44451795
0.00057448 0.00093802 -0.00027474
-0.00043949 -0.00365546 0.00687415
-0.38334711 -3.78601805 -0.40051002
-0.00014139 -0.00006460 -0.00037150
0.01091662 -0.00649562 0.00091573
17.33151257 3.25720768 25.71045750
-0.00033003 -0.00022605 0.00004515
0.00049347 -0.00587970 -0.00468581
16.71593741 3.69477041 28.39975087
0.00005448 0.00073189 -0.00054417
-0.01924374 -0.02579990 0.04400821
-10.62794180 7.61292564 -3.36220875
0.00054773 0.00025957 0.00019709
0.00023872 -0.02584447 -0.00697844
-8.38283013 6.97837301 -5.06932816
-0.00079561 -0.00014808 0.00031971
-0.01316018 -0.01711651 0.00109501
-6.20593821 15.90543624 -9.13270102
0.00037600 -0.00000839 -0.00045285
-0.00416636 0.00251622 -0.00777455
-4.47981999 14.42607578 -11.10174897
0.00060293 0.00002598 0.00011810
-0.00134302 -0.00262792 -0.00502413
2.74887916 11.08346043 -5.60493720
0.00003755 -0.00018547 0.00006270
-0.00294674 -0.01882944 0.01414535
1.45319985 13.35950923 -6.90372340
-0.00004443 0.00078468 0.00054922
-0.02546327 0.01825407 0.00514199
-2.48421135 10.98912547 -13.99932850
0.00066142 -0.00088837 0.00047072
-0.02054000 0.01704154 0.00397363
-5.17463846 10.72348432 -13.09755297
-0.00021585 -0.00013430 0.00020980
-0.00640237 0.00387000 -0.00028575
4.77408428 7.23066309 18.83366095
0.00042043 -0.00064670 -0.00067038
0.00940384 0.00089103 0.02049743
2.17846960 6.74053351 17.71997251
0.00021938 0.00003535 -0.00022650
-0.01701697 -0.00108404 -0.00127313
-13.87745376 8.27213904 -9.03761213
-0.00082751 -0.00086668 -0.00082237
0.05426826 -0.01157473 -0.01004133
-16.02599898 8.35529677 -7.32704582
-0.00051715 -0.00040280 -0.00006914
-0.01475658 0.00041725 -0.02232182
5.26287855 10.16014380 0.76669078
0.00026887 -0.00122487 -0.00001320
0.04618371 0.04510305 0.00017993
2.22345586 10.12105815 0.52918703
-0.00079477 -0.00067041 -0.00096681
-0.00375372 0.01120256 0.00354237
14.38360584 -23.80269750 -25.64948739
0.00022809 -0.00035897 -0.00031381
0.00275441 -0.00254844 0.00039154
15.27378061 -25.04566604 -28.04729578
-0.00009178 -0.00115433 0.00041316
-0.01639135 -0.01754092 -0.03440974
3.84406231 3.99068446 0.03732348
-0.00020910 0.00080848 0.00151625
-0.01590751 -0.00740497 -0.00765838
5.72509897 5.71128298 1.28647169
0.00062366 -0.00077005 0.00005432
0.00192735 -0.00300136 -0.00912425
18.00258138 -3.69567391 -0.25869195
0.00038576 -0.00032843 0.00124769
-0.00620810 0.00734125 0.00727815
16.09270593 -5.76387409 -1.22474023
0.00058496 0.00084638 -0.00013274
0.02055762 0.00267855 0.01537272
-6.54617282 2.77275610 -1.77345871
-0.00157752 0.00015750 0.00076964
0.00576498 0.00026056 0.00614702
-4.96781308 1.31598085 -3.76372629
-0.00029703 -0.00038008 0.00016593
-0.00052487 0.00374803 0.01202933
2.50601542 3.00471222 -11.99668134
-0.00056049 -0.00005491 -0.00117762
-0.00251511 -0.01191651 0.00616316
0.28639523 1.00983837 -10.87337080
-0.00019399 -0.00097787 -0.00042251
0.01821007 0.04531921 -0.02017180
16.77035594 7.94261796 -8.09207023
-0.00068432 0.00030765 -0.00052281
0.02118074 0.00577778 -0.00038712
15.36799060 10.47276262 -6.43608229
-0.00005270 0.00004369 0.00067127
0.02093041 0.01571505 -0.00425477
-7.34484034 1.19858276 11.19433494
-0.00012914 0.00118851 0.00026686
-0.00506243 -0.00086954 -0.01631413
-8.07777488 1.31888149 14.10447779
-0.00053969 0.00043718 0.00095601
0.01852194 0.00812331 -0.02403980
-2.62580883 -16.72521837 14.44477388
-0.00074283 0.00029747 0.00061824
-0.01062318 0.01822004 -0.02564698
-4.70763149 -17.83546378 12.52724724
0.00047938 -0.00051841 0.00058366
0.02953655 0.04396547 0.00882993
7.31460976 -6.18961169 -4.64081648
0.00056554 -0.00051328 0.00032171
-0.00758491 -0.00625848 0.01380310
5.41345278 -7.73748941 -6.42981798
-0.00048567 0.00043767 0.00056112
0.00434279 0.00878131 0.01240527
-2.83661963 -11.49698105 1.87552291
0.00028835 -0.00002939 -0.00042033
-0.00580159 0.00184572 0.00747489
-0.34616864 -10.12574247 1.80764031
-0.00021800 -0.00079323 -0.00025975
-0.00317572 -0.01382356 0.00500914
-14.73617744 -0.72043930 6.29351598
0.00020801 0.00042169 0.00051227
0.02457746 0.01985898 0.01798529
-15.60054384 -1.68392499 3.86977876
0.00046168 0.00056811 0.00077349
-0.00148537 -0.00380950 -0.03012807
-9.57293335 4.41585521 -23.70632823
-0.00013418 -0.00062269 -0.00007547
-0.00637498 0.00968722 -0.01298371
-9.03770466 4.46762439 -20.88255921
-0.00007880 0.00084961 -0.00020463
0.00458825 0.02254768 0.03086963
2.10654353 0.44458786 -3.09498277
-0.00048472 -0.00165017 -0.00011915
0.00305247 0.00035695 -0.01394396
0.54140105 0.23812632 -0.69828847
0.00044375 -0.00015899 -0.00155689
-0.02043477 -0.01349122 0.01173777
14.03472860 9.30861899 3.33292364
0.00019729 0.00021836 0.00028552
0.02128620 0.01186918 0.00831664
11.53819275 8.81057339 2.18567046
0.00080710 -0.00018138 0.00044864
0.00236653 -0.00358755 0.01892963
5.37206379 -9.30087652 -10.57331264
-0.00008285 -0.00007890 -0.00008548
-0.00059346 0.01023795 -0.01054521
-12.94641926 10.39076144 21.30270462
0.00014533 -0.00004232 0.00007707
0.01051563 -0.00242727 -0.00573969
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06723158
0.32603282
434.42238472
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1861114116
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.4192835273 (a.u.)
total exchange computation time: 3.3740849495 s
-154.4533351260
-931.39334776
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1861114116
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.4185276554 (a.u.)
total exchange computation time: 3.3786470890 s
-154.4600035777
Anderson extrapolation: theta=1.3564431082 (1.3564431082)
-931.39360477
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1861114116
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.4174033642 (a.u.)
total exchange computation time: 3.3756780624 s
-154.4697629644
Anderson extrapolation: theta=0.0567134435 (0.0567134435)
-931.39375978
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1861114116
ExchangeOperator: bisection time: 2.060 s
total exchange = -52.4172625740 (a.u.)
total exchange computation time: 3.3767600060 s
-154.4709394409
Anderson extrapolation: theta=2.0512915903 (2.0000000000)
-931.39376635
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1861114116
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.4169616907 (a.u.)
total exchange computation time: 3.3741900921 s
-154.4734158317
Anderson extrapolation: theta=0.2637692810 (0.2637692810)
-931.39377370
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1861114116
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.4168823642 (a.u.)
total exchange computation time: 3.3777580261 s
-154.4740288591
Anderson extrapolation: theta=1.6105257392 (1.6105257392)
-931.39377520
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1861114116
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.4167793983 (a.u.)
total exchange computation time: 3.3752229214 s
-154.4747707252
Anderson extrapolation: theta=0.3089374450 (0.3089374450)
-931.39377668
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1861114116
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.4167724151 (a.u.)
total exchange computation time: 3.3736689091 s
-154.4747642078
Anderson extrapolation: theta=1.1270494810 (1.1270494810)
-931.39377703
282.576278 29.892721 158.588768
-143.153922 489.807324 -806.576364
139.422356 519.700045 -647.987596
842.267567
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0704941860
ExchangeOperator: pair fraction: ispin=0: 0.1861114116
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.4167827590 (a.u.)
total exchange computation time: 3.3758139610 s
679.55546607
-1085.04896385
89.68716222
-388.23613416
-174.93452475
79.03952457
551.60419304
0.00000000
-931.39377722
-8.65631578 -3.96649915 3.67488121
0.00014029 0.00003047 0.00010370
0.04858236 -0.00807850 -0.00711456
-17.74837317 4.27201633 6.41141086
0.00022118 -0.00032730 -0.00027373
-0.01491074 -0.01738157 -0.00232124
-15.48921386 -0.91235127 0.32537467
0.00026405 -0.00009079 -0.00008145
-0.01931044 -0.06328296 -0.02778794
3.02518944 -20.57402186 15.44964428
-0.00027975 -0.00008131 -0.00014626
0.01207226 0.01240665 0.01254784
7.82725902 16.01035102 -1.23595361
0.00028591 0.00000627 0.00020953
-0.00883026 0.01168463 0.00250230
-9.99082836 9.42047080 10.99569239
-0.00020388 -0.00021636 -0.00018853
0.01391767 -0.03674695 -0.01052172
-8.36161091 -0.40274300 -14.35338422
-0.00017911 0.00009446 -0.00027390
-0.01073334 -0.00110856 -0.01436119
-10.80915432 2.35930678 -6.95863871
-0.00008990 -0.00028838 -0.00005119
0.01906130 -0.00364343 -0.01758207
-0.44276996 -5.72005215 15.48116020
-0.00026859 0.00003231 0.00039136
0.00749412 0.00237276 0.03746091
-25.80669346 -0.74853494 -20.64068070
-0.00012061 -0.00005044 0.00021038
0.03208935 0.01866905 0.00056728
8.88852764 7.48357248 7.80150789
0.00006979 -0.00011308 -0.00016874
0.00175041 -0.01031136 0.00327963
20.90031557 28.51935993 -5.03230969
0.00025784 -0.00034946 0.00004691
0.02171402 -0.01906556 -0.01118297
7.68058530 -1.54143879 -7.28452930
0.00008821 0.00001613 -0.00006783
0.04616548 -0.02386121 0.00624679
-9.19274793 -3.46839571 13.57808735
0.00017999 -0.00021921 0.00020650
-0.02659797 -0.04412576 0.02629795
-1.23017789 -22.66796356 14.11641898
0.00013375 0.00004961 0.00036060
-0.01641610 -0.01804860 0.00983886
-10.97391904 -8.66805644 -8.03033826
0.00008024 -0.00017422 0.00022408
0.00035872 0.03614182 0.00262694
-15.92598167 -8.60086120 -15.53039826
-0.00012185 -0.00016024 -0.00008021
-0.00709147 -0.02990620 -0.00280289
17.00563775 12.81083209 3.59286573
0.00044348 0.00013666 -0.00006652
-0.00034573 -0.02802450 0.00867081
20.05374234 -4.61893337 -14.82985205
-0.00014457 0.00003647 -0.00021047
-0.00601716 -0.02847508 0.00645031
-0.29055526 8.09574868 -14.92374055
0.00016826 -0.00027852 -0.00009354
-0.00665616 0.00616154 0.00591666
0.56252863 -0.38820951 -17.02664890
-0.00016229 0.00045965 -0.00010326
0.03504693 -0.01553037 0.01076835
12.07574471 20.79082935 -23.19186268
0.00037158 -0.00059754 -0.00011415
-0.03630192 -0.02506240 -0.01254133
-11.37533041 15.14535895 -16.31501219
-0.00027792 -0.00037133 0.00005225
-0.01880588 -0.01760146 0.05023872
4.70812459 17.71290670 10.52049847
0.00018978 0.00026747 -0.00035492
-0.01914302 0.01102872 0.01673030
-2.16002695 -11.10094066 -3.54718382
-0.00015709 0.00002724 -0.00003300
-0.05205809 0.01979950 -0.00746949
1.37380890 -8.12761069 4.00081790
0.00025657 0.00006779 0.00045645
-0.04268335 0.01315451 -0.02106557
9.53715236 2.19251678 8.29950852
-0.00019029 0.00044774 0.00007390
-0.00195443 0.02769622 -0.00134639
-6.97228083 -9.02323463 -3.09294098
-0.00021642 0.00031123 0.00002202
-0.05169326 -0.01603718 0.00300405
3.80490206 -12.19804584 -13.20789910
-0.00016757 0.00022802 -0.00029267
-0.01517510 0.01419152 -0.01678204
1.26490799 -4.50854959 -0.80482282
0.00002377 -0.00003991 0.00031256
-0.01098202 0.01153458 -0.01144143
17.29766180 4.53117742 26.99059260
0.00042126 0.00001953 -0.00022247
0.02170045 0.03049492 -0.04337817
-9.80795732 6.07297367 -4.12453972
-0.00027587 0.00029454 0.00067689
0.00657332 0.05549406 0.00857081
-4.68722815 14.93932996 -9.36673745
0.00033267 0.00000475 -0.00008873
0.00786824 0.00030251 0.01920323
2.87000431 12.28406900 -6.92681644
-0.00016292 0.00025616 -0.00015237
0.02809433 0.00629467 -0.01594951
-4.05110255 12.04506190 -13.69364310
0.00018256 0.00029504 0.00011460
0.02783969 -0.03226566 -0.00194883
3.84187424 7.33976464 17.30797597
-0.00003966 0.00006399 0.00010007
0.00711218 0.00344184 -0.01584230
-15.57953946 8.62994910 -9.13144637
-0.00013508 -0.00009722 0.00009660
-0.04032083 0.01008608 0.03081711
3.79879597 9.27399830 0.64425863
0.00022305 0.00011132 0.00021454
-0.04799443 -0.06728615 -0.00328901
15.89498565 -24.10551768 -26.70294761
0.00009592 -0.00011648 0.00004564
0.01278697 0.01523207 0.03338617
5.60970124 4.13749706 0.34044153
-0.00024419 0.00002666 0.00034397
0.01453221 0.00774053 0.01412798
17.33209457 -5.34987277 0.11942030
0.00010286 -0.00015457 -0.00039358
-0.01714514 -0.01771103 -0.00931371
-4.79483299 2.42436973 -2.27379927
0.00019964 0.00008040 0.00029007
-0.00403328 -0.00094949 -0.01555160
0.72796894 2.59859320 -11.93788361
-0.00010902 0.00023546 -0.00019281
-0.02466774 -0.03726989 0.00672587
15.40381075 8.83416706 -7.15064769
-0.00013355 -0.00014245 0.00035856
-0.04128017 -0.02221775 0.00590451
-6.61318936 1.10002186 12.83420308
-0.00029304 0.00016557 -0.00002109
-0.00886710 0.00268911 0.03893860
-3.62082870 -16.20427260 12.86519274
-0.00020779 -0.00007198 -0.00013370
-0.02277619 -0.06019319 0.01026445
6.93143361 -6.62610891 -6.38839001
-0.00022195 0.00039290 -0.00032114
-0.00545779 -0.00704538 -0.00741694
-1.15023105 -11.71233046 1.18823578
-0.00017115 -0.00005865 -0.00035825
0.00518567 0.01253060 0.00327984
-15.94151541 -1.81696283 5.63534512
0.00026030 -0.00011859 0.00041986
-0.02513875 -0.01713333 0.01024632
-9.27929956 3.36191653 -22.24318105
-0.00014883 -0.00022285 -0.00029628
0.00166891 -0.02103077 -0.00035021
1.90194164 1.09438240 -1.42218583
-0.00031027 0.00000190 -0.00000272
0.02299842 0.02134110 -0.01078586
12.56931455 8.34747566 3.69932554
-0.00002555 -0.00031222 -0.00036797
-0.02179295 -0.00811638 -0.02265024
-7.01556040 -4.49014266 2.79107625
0.00096978 0.00009654 -0.00119027
-0.03302792 0.01680056 0.00716427
-9.83490737 -3.70602501 2.33431963
0.00160050 0.00091985 -0.00021863
-0.00369147 0.01110977 -0.01852036
-16.39759087 5.39038680 6.74541552
0.00043442 0.00004326 0.00021272
0.01890924 0.02043436 0.00460774
-17.44744407 3.64989156 4.72371145
-0.00091265 0.00015644 0.00018856
-0.00129627 -0.00088281 0.00012248
-15.90701269 0.83223801 0.45598392
0.00044940 -0.00082629 -0.00097371
-0.01195125 0.02270875 -0.00677087
-16.82401497 -1.84953093 -0.78500738
-0.00047302 0.00080181 -0.00084410
0.03613663 0.03963900 0.03640595
1.24775526 -20.95689776 15.19777660
-0.00039543 0.00157616 0.00076669
-0.00496172 0.00133951 -0.00420516
3.12790433 -18.82106249 16.05299278
-0.00106417 0.00010930 -0.00020663
0.00163923 -0.01515559 -0.00843019
8.05886839 14.18929357 -1.21628788
0.00005910 0.00022690 0.00033329
0.00348032 -0.00843575 0.00766157
6.77859435 16.43341687 0.22322680
-0.00029636 -0.00009735 -0.00112778
0.00942747 -0.00510755 -0.01135780
-8.91095486 8.96161240 12.44331122
-0.00099660 -0.00127499 0.00001523
-0.00443248 0.00695485 -0.00016654
-10.79568499 10.94161418 11.39536968
0.00006865 0.00055239 0.00024430
-0.00600271 0.03252621 0.01457624
-10.05829682 0.38473513 -14.43132674
0.00078827 -0.00036164 0.00039141
0.01081811 -0.00181151 0.00567509
-8.29148099 -1.32392025 -15.96645421
-0.00061362 0.00194570 0.00007554
0.00374546 0.00212026 0.01041582
-11.99828534 1.02731796 -6.81556651
0.00043314 0.00048302 0.00037385
-0.02100986 -0.01131090 0.00509158
-11.11029537 3.75713196 -5.83569164
0.00036198 0.00067271 0.00031656
-0.00084578 0.00306104 0.00690106
-1.98449354 -6.46606773 14.81076523
0.00007943 0.00018674 0.00031968
-0.00928624 -0.00084341 -0.00409450
-0.51866033 -5.84896758 17.38256809
-0.00020992 -0.00054681 -0.00007967
0.00038944 0.00162290 -0.03456989
-24.28090750 -0.25288815 -19.60946959
0.00067250 0.00006662 -0.00128180
-0.02331454 -0.00840155 -0.01484858
-25.96323137 0.42763724 -22.12651562
-0.00109740 -0.00039612 -0.00102490
-0.00115170 -0.00283453 0.01491298
9.92017334 7.76790565 6.33534708
0.00101771 -0.00133174 0.00025250
0.00655622 0.00430659 -0.01436135
10.09200254 8.01408992 9.11638738
0.00008273 0.00022246 -0.00068335
-0.00061883 0.00150205 0.00487398
19.94521619 27.65104217 -3.79373555
0.00017598 0.00019531 0.00043451
-0.01234877 -0.01414981 0.01780728
20.50588966 30.27181062 -4.79634500
0.00016902 -0.00036671 -0.00024737
-0.00777489 0.02684983 0.00702785
6.01891479 -0.96963067 -7.41470545
-0.00076888 0.00029778 -0.00052716
-0.03499585 0.01528389 -0.00140928
7.61317211 -3.37942761 -6.99431142
-0.00065275 -0.00005460 0.00017223
-0.01251062 0.01484029 -0.00436523
-8.48147328 -2.28429258 12.47184388
0.00028797 0.00049055 -0.00027136
0.00697621 0.02711216 -0.02383052
-11.04564396 -3.39150273 13.59168873
-0.00007690 0.00098569 0.00009349
0.01713599 0.01682922 -0.00776338
-0.89911870 -24.45876534 14.64170528
-0.00013403 -0.00023091 -0.00125311
-0.00863988 0.01520170 -0.00570014
-3.05676355 -22.33423689 14.39354419
-0.00009646 -0.00061399 0.00020754
0.01857044 -0.00654435 -0.00944887
-12.71246043 -8.30097749 -7.46502296
-0.00034325 -0.00046784 -0.00014107
0.00231013 -0.00689120 0.00512792
-10.43578642 -6.85797567 -8.16173154
0.00093998 0.00185401 0.00111412
0.00531595 -0.03183404 -0.00609698
-16.00773274 -10.50530643 -15.57655627
0.00064656 0.00058299 0.00110435
0.00464031 0.03627992 0.00307165
-14.26941864 -8.00046825 -16.15509667
-0.00011733 0.00012126 0.00013612
-0.00370924 -0.00673796 0.00085581
17.37023368 12.88001162 5.41877988
-0.00012333 -0.00006366 0.00010597
-0.00377037 0.00224947 -0.00836335
16.99393592 14.42615378 2.82068996
-0.00011737 0.00000502 0.00009643
0.00473182 0.01676200 -0.00646704
18.22505007 -4.70017627 -14.84372135
-0.00022179 -0.00031087 0.00035024
0.01048732 0.01049294 -0.00191222
20.66674708 -3.02876517 -15.42089455
-0.00074720 -0.00112432 0.00010790
-0.00183072 0.01625219 -0.00867406
-0.17684599 6.60555897 -13.88384498
0.00111197 -0.00029748 -0.00074672
-0.00671811 -0.00813281 0.00175236
-0.47658742 7.52276503 -16.62903146
-0.00083875 0.00133407 0.00013923
-0.00113291 -0.00349155 -0.00782714
0.51487200 0.79315337 -15.59831394
-0.00062998 0.00077547 0.00007835
0.00187242 -0.00081515 -0.00321534
2.33174064 -1.17117236 -16.91132499
-0.00038553 -0.00019684 0.00025841
-0.03664844 0.02055543 -0.00374547
12.37578055 22.37813739 -22.41667520
-0.00034395 0.00107874 -0.00006529
0.01076025 0.02576658 0.01058566
10.19504608 20.90769840 -23.37826658
0.00067405 -0.00006378 0.00004491
0.02092333 -0.00915012 0.00136846
-10.24396617 16.01697839 -17.38189728
-0.00012106 0.00035141 -0.00050297
0.02253780 0.01594733 -0.02306687
-10.95125420 15.89819689 -14.67521338
-0.00034404 0.00080140 0.00010649
-0.00802845 -0.00907037 -0.01359890
3.47242031 18.71379579 11.54261949
0.00124170 -0.00084165 -0.00039761
0.02204684 -0.01579981 -0.02626843
4.79146144 18.37900193 8.80010581
0.00023068 -0.00021160 -0.00020868
-0.00263098 -0.00142828 0.00975807
-3.97845974 -10.46716196 -3.36659059
0.00096864 -0.00010918 -0.00104658
0.03356905 -0.00818538 -0.02432510
-1.94343619 -11.17847534 -1.73490656
-0.00046966 0.00033043 0.00037417
0.02473370 -0.00961891 0.01553500
-0.00268165 -7.44540544 5.04850169
-0.00026699 0.00019737 0.00017018
0.01629945 -0.00076480 -0.00212770
2.81317706 -8.42833809 5.00449329
0.00002649 0.00031000 -0.00036336
0.02783413 -0.00159270 0.02132902
7.73902674 1.93448549 8.40536928
-0.00007905 0.00035678 -0.00075625
-0.00225938 0.00281560 0.00450344
9.65732024 4.10690439 8.22895633
-0.00037651 -0.00003329 0.00114981
-0.00323670 -0.02577716 -0.00152003
-8.35804617 -8.44108375 -4.18881145
-0.00086595 0.00066452 -0.00029894
0.01607108 0.00481101 -0.00528710
-8.12356836 -10.16616508 -2.12260503
0.00009030 0.00047861 -0.00036545
0.02010396 0.01027203 0.00155370
4.67989682 -13.38349464 -12.21198281
0.00022615 -0.00005112 -0.00012699
0.00827983 -0.02269221 0.01217518
2.28937674 -12.97395219 -13.97369993
-0.00043636 0.00061582 -0.00051534
0.00765762 0.00195979 0.00218630
1.49445312 -5.79470986 0.44060750
0.00057397 0.00091143 -0.00023487
0.00019131 -0.00936132 0.01264135
-0.38513345 -3.78718605 -0.40605452
-0.00009664 -0.00009173 -0.00036693
0.01098879 -0.00678832 0.00132447
17.32657723 3.25363672 25.71099111
-0.00032750 -0.00025025 0.00002551
0.00074580 -0.00596357 -0.00492456
16.71616499 3.70495819 28.39293689
-0.00002724 0.00062333 -0.00035705
-0.02075910 -0.02734239 0.04758800
-10.61971849 7.61602721 -3.35946624
0.00054413 0.00015920 0.00017230
-0.00200438 -0.02328496 -0.00515617
-8.39516756 6.97562734 -5.06449901
-0.00084486 -0.00021651 0.00032187
-0.01094943 -0.01638193 -0.00003829
-6.20042591 15.90538750 -9.13973202
0.00035794 0.00000234 -0.00048437
-0.00467191 0.00273775 -0.00765517
-4.47081718 14.42638500 -11.10013149
0.00059777 0.00001427 0.00009501
-0.00118360 -0.00310750 -0.00627701
2.74935218 11.08010135 -5.60356330
0.00002599 -0.00025651 0.00011425
-0.00271343 -0.01594360 0.01109006
1.45175307 13.37183872 -6.89532754
-0.00014446 0.00085597 0.00057031
-0.02349931 0.01664600 0.00518055
-2.47491946 10.97632215 -13.99214595
0.00056975 -0.00081272 0.00048797
-0.02433309 0.01999036 0.00447056
-5.17807238 10.72158834 -13.09441476
-0.00023694 -0.00011187 0.00020597
-0.00392051 0.00711317 -0.00158961
4.78067893 7.22098984 18.82423333
0.00046131 -0.00064383 -0.00058160
0.01060849 0.00051792 0.02296381
2.18123880 6.74103051 17.71653595
0.00014649 0.00002938 -0.00022998
-0.01866093 -0.00183694 -0.00042914
-13.88820339 8.25878412 -9.05025531
-0.00059709 -0.00091663 -0.00086239
0.05851952 -0.01287267 -0.00954959
-16.03420844 8.34926759 -7.32876699
-0.00057608 -0.00040104 -0.00015983
-0.01408696 0.00044374 -0.02207061
5.26832682 10.14315282 0.76649823
0.00046760 -0.00103270 -0.00001222
0.05109324 0.04896845 0.00030146
2.21141928 10.11134530 0.51479351
-0.00079860 -0.00062821 -0.00095177
0.00187777 0.00945437 0.00381681
14.38711166 -23.80816021 -25.65418253
0.00023590 -0.00036814 -0.00030894
0.00106720 -0.00194044 0.00199313
15.27190159 -25.06351848 -28.04215280
-0.00015526 -0.00122181 0.00027860
-0.01468134 -0.01549070 -0.03145606
3.84043834 4.00258471 0.05983251
-0.00027791 0.00077767 0.00148402
-0.01777665 -0.00767736 -0.00811837
5.73451299 5.69964025 1.28700687
0.00063320 -0.00077213 0.00002309
0.00274283 0.00198320 -0.00616021
18.00817757 -3.70037536 -0.23975363
0.00036268 -0.00029223 0.00127592
-0.00508930 0.01037715 0.00654128
16.10211034 -5.75109629 -1.22626019
0.00066226 0.00085513 -0.00007720
0.01727817 0.00160177 0.01181299
-6.56965902 2.77512653 -1.76172582
-0.00153198 0.00015423 0.00078926
0.01652888 -0.00185835 0.00345710
-4.97228465 1.31039445 -3.76086876
-0.00029831 -0.00036149 0.00021874
-0.00009904 0.00535272 0.01382281
2.49753095 3.00352335 -12.01415678
-0.00056263 -0.00010245 -0.00115265
0.00146947 -0.01135331 0.00606027
0.28404333 0.99655902 -10.88032663
-0.00011788 -0.00078637 -0.00050792
0.01905014 0.04842381 -0.02163734
16.76074015 7.94740972 -8.09992428
-0.00059681 0.00033078 -0.00052458
0.02165854 0.00554479 -0.00047779
15.36784145 10.47389953 -6.42614358
0.00003249 0.00010308 0.00065111
0.02077285 0.01335652 -0.00561399
-7.34693255 1.21638375 11.19783799
-0.00015199 0.00118566 0.00019739
-0.00612290 -0.00052528 -0.01769515
-8.08530269 1.32568816 14.11808131
-0.00046033 0.00046943 0.00085239
0.02032775 0.00766111 -0.02668586
-2.63727675 -16.72019794 14.45326157
-0.00078587 0.00037273 0.00051175
-0.01044648 0.01861761 -0.02648087
-4.69953564 -17.84189275 12.53627269
0.00059780 -0.00033954 0.00061775
0.02842736 0.04359240 0.00785940
7.32286047 -6.19750268 -4.63556786
0.00053359 -0.00053982 0.00037042
-0.00805737 -0.00673440 0.01004043
5.40630085 -7.73065534 -6.42102104
-0.00046628 0.00047408 0.00061005
0.00514516 0.00904359 0.01154669
-2.83247210 -11.49736533 1.86944705
0.00025824 -0.00002162 -0.00038743
-0.00893963 0.00195626 0.00862667
-0.34953596 -10.13806453 1.80389757
-0.00022707 -0.00084262 -0.00023696
-0.00126432 -0.01035101 0.00614529
-14.73230419 -0.71350536 6.30175111
0.00030274 0.00049783 0.00058348
0.02179552 0.01741108 0.01687484
-15.59366413 -1.67552006 3.88045791
0.00045561 0.00055211 0.00064692
-0.00148641 -0.00402226 -0.03182963
-9.57514140 4.40681174 -23.70785813
-0.00016207 -0.00057948 -0.00013361
-0.00727890 0.01146174 -0.01547796
-9.03874609 4.48105947 -20.88468274
-0.00006195 0.00093199 -0.00008993
0.00365958 0.01777981 0.02527871
2.09936620 0.41984628 -3.09719734
-0.00047079 -0.00164227 -0.00016616
0.00377013 0.00351101 -0.00906804
0.54743105 0.23532804 -0.72128217
0.00034264 -0.00022390 -0.00149704
-0.02905530 -0.01828097 0.01756275
14.03834029 9.31225803 3.33746124
0.00027883 0.00026325 0.00032119
0.01862793 0.01010614 0.00914326
11.55037183 8.80774275 2.19298014
0.00080868 -0.00019296 0.00051523
-0.00159327 -0.00207912 0.01366664
5.37081948 -9.30203257 -10.57462317
-0.00008305 -0.00007522 -0.00008923
-0.00055202 0.01036062 -0.01039921
-12.94422095 10.39012239 21.30385076
0.00014777 -0.00004289 0.00007573
0.01047045 -0.00244015 -0.00581267
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06723564
0.32654157
435.10027642
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702034884
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.4212575722 (a.u.)
total exchange computation time: 3.4316689968 s
-154.4649147604
-931.39375705
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702034884
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 1.969 s
total exchange = -52.4204449258 (a.u.)
total exchange computation time: 3.4297308922 s
-154.4720029629
Anderson extrapolation: theta=1.3502315280 (1.3502315280)
-931.39401169
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702034884
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 1.970 s
total exchange = -52.4192409764 (a.u.)
total exchange computation time: 3.4320750237 s
-154.4823762942
Anderson extrapolation: theta=0.0539544811 (0.0539544811)
-931.39416372
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702034884
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 1.970 s
total exchange = -52.4190934878 (a.u.)
total exchange computation time: 3.4342598915 s
-154.4836269609
Anderson extrapolation: theta=1.9648798799 (1.9648798799)
-931.39416964
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702034884
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.4187830920 (a.u.)
total exchange computation time: 3.4330499172 s
-154.4862353887
Anderson extrapolation: theta=0.2316673812 (0.2316673812)
-931.39417590
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702034884
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.4187093692 (a.u.)
total exchange computation time: 3.4352350235 s
-154.4868286708
Anderson extrapolation: theta=1.8418573457 (1.8418573457)
-931.39417711
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702034884
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.4185993337 (a.u.)
total exchange computation time: 3.4337899685 s
-154.4876753094
Anderson extrapolation: theta=0.2869073050 (0.2869073050)
-931.39417849
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702034884
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 1.969 s
total exchange = -52.4185935522 (a.u.)
total exchange computation time: 3.4314231873 s
-154.4876796689
Anderson extrapolation: theta=1.2765815857 (1.2765815857)
-931.39417881
282.607398 29.949802 158.626502
-143.174450 489.841935 -806.608652
139.432948 519.791737 -647.982150
842.321710
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702034884
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 1.968 s
total exchange = -52.4186052586 (a.u.)
total exchange computation time: 3.4318249226 s
679.58152146
-1085.11205983
89.68810585
-388.19297685
-174.94016439
79.07689881
551.60419304
0.00000000
-931.39417902
-8.65402407 -3.96607332 3.67640933
0.00016717 0.00002570 0.00009993
0.05597089 -0.01043734 -0.00756562
-17.74511300 4.26703977 6.40729601
0.00021406 -0.00033497 -0.00027304
-0.01275835 -0.01245485 0.00497674
-15.48532760 -0.91395724 0.32404573
0.00025390 -0.00012474 -0.00009629
-0.02017391 -0.06872219 -0.02991051
3.02103971 -20.57519363 15.44749879
-0.00027342 -0.00007429 -0.00013962
0.01254617 0.01486699 0.01328721
7.83151358 16.01049007 -1.23280100
0.00028210 0.00001224 0.00020959
-0.00598038 0.01155277 -0.00226664
-9.99383288 9.41708367 10.99282384
-0.00019749 -0.00023392 -0.00019363
0.01092901 -0.03155863 -0.00929317
-8.36433892 -0.40133031 -14.35754810
-0.00018327 0.00009429 -0.00027943
-0.00545774 0.00043185 -0.00714557
-10.81042933 2.35496709 -6.95947442
-0.00007902 -0.00028740 -0.00005929
0.02325817 0.00742119 -0.01389587
-0.44676993 -5.71955827 15.48717512
-0.00026427 0.00003367 0.00041009
0.00930548 0.00290840 0.03536569
-25.80837891 -0.74921954 -20.63752278
-0.00010451 -0.00004044 0.00020956
0.03054422 0.02021926 -0.00377560
8.88958127 7.48183650 7.79898947
0.00007064 -0.00011839 -0.00016746
0.00153471 -0.01034455 0.00170342
20.90426694 28.51404446 -5.03164923
0.00026881 -0.00035923 0.00004133
0.02092863 -0.01892502 -0.01048847
7.68208655 -1.54128883 -7.28552265
0.00010951 0.00000453 -0.00006476
0.03664108 -0.02127439 0.00569940
-9.19015075 -3.47185399 13.58128623
0.00016654 -0.00024034 0.00021860
-0.02567976 -0.03805944 0.02077707
-1.22823499 -22.66728898 14.12186592
0.00012496 0.00004056 0.00036545
-0.01774057 -0.01714621 0.00900476
-10.97271398 -8.67053034 -8.02696699
0.00008107 -0.00015295 0.00022543
0.00283045 0.04655529 0.00263851
-15.92783680 -8.60338020 -15.53161217
-0.00012534 -0.00017430 -0.00008153
-0.00648697 -0.02476302 -0.00233064
17.01228856 12.81277396 3.59190141
0.00044331 0.00012191 -0.00006189
-0.00030292 -0.02936517 0.00932992
20.05155057 -4.61849622 -14.83298415
-0.00014875 0.00001933 -0.00020620
-0.01021886 -0.03817405 0.01013338
-0.28805698 8.09159461 -14.92512085
0.00016490 -0.00027436 -0.00008958
-0.00643304 0.01003285 0.00949076
0.56022950 -0.38137468 -17.02815630
-0.00014437 0.00045196 -0.00009736
0.03463809 -0.01437128 0.01219572
12.08117835 20.78176953 -23.19362330
0.00035384 -0.00060754 -0.00011913
-0.03266011 -0.01381097 -0.00684105
-11.37957179 15.13972107 -16.31403473
-0.00028616 -0.00037907 0.00007765
-0.01323964 -0.01249408 0.04854943
4.71089751 17.71696127 10.51523917
0.00018143 0.00027159 -0.00034690
-0.01332839 0.00500972 0.01445512
-2.16258410 -11.10045562 -3.54770765
-0.00018220 0.00003687 -0.00003637
-0.04558262 0.01761602 -0.00563469
1.37749274 -8.12654303 4.00758333
0.00023303 0.00007487 0.00044484
-0.04883500 0.01435442 -0.02405290
9.53429042 2.19933969 8.30061184
-0.00019110 0.00046122 0.00007333
-0.00119546 0.02471289 -0.00087701
-6.97572653 -9.01862810 -3.09259911
-0.00024339 0.00030391 0.00002225
-0.05320383 -0.01240834 -0.00210632
3.80232997 -12.19457087 -13.21235395
-0.00017488 0.00023456 -0.00030066
-0.01325434 0.01124814 -0.01426546
1.26522225 -4.50910373 -0.80017858
0.00001802 -0.00003251 0.00030510
-0.01139368 0.01722168 -0.01756287
17.30406437 4.53158794 26.98708822
0.00043253 0.00003523 -0.00024507
0.02214822 0.03058340 -0.04449372
-9.81207003 6.07760584 -4.11435335
-0.00027249 0.00032188 0.00068098
0.00656429 0.05082878 0.00734981
-4.68220783 14.93940233 -9.36799438
0.00033674 0.00000496 -0.00007863
0.00797507 0.00052973 0.02007733
2.86766889 12.28793570 -6.92916349
-0.00014927 0.00025910 -0.00015965
0.02497703 0.00514910 -0.01235759
-4.04825680 12.04936300 -13.69193164
0.00019702 0.00027700 0.00011379
0.02841770 -0.03786521 -0.00119214
3.84130679 7.34073771 17.30941586
-0.00003587 0.00006602 0.00009132
0.00760227 0.00447938 -0.01818112
-15.58172117 8.62852966 -9.12987843
-0.00015636 -0.00009180 0.00011209
-0.04242523 0.01100155 0.02940255
3.80195666 9.27540851 0.64746409
0.00019640 0.00007669 0.00021283
-0.05563854 -0.06734977 -0.00337447
15.89647374 -24.10720606 -26.70213422
0.00010240 -0.00010953 0.00006131
0.01243248 0.01179243 0.02753495
5.60609437 4.13792684 0.34565562
-0.00023664 0.00002938 0.00035047
0.01484022 0.00283590 0.01115131
17.33357132 -5.35225965 0.11348069
0.00009474 -0.00016395 -0.00039705
-0.01443091 -0.01874032 -0.00419920
-4.79185394 2.42557207 -2.26950816
0.00019508 0.00007994 0.00028236
-0.01369192 -0.00082185 -0.01442672
0.72623848 2.60198134 -11.94074988
-0.00012284 0.00021558 -0.00018902
-0.02908787 -0.04001842 0.00801465
15.40164821 8.83194463 -7.14524654
-0.00015480 -0.00015320 0.00036200
-0.04133504 -0.01958833 0.00747222
-6.61761922 1.10251576 12.83403694
-0.00029786 0.00016692 -0.00000035
-0.00984415 0.00256163 0.04172242
-3.62403342 -16.20558448 12.86322676
-0.00021917 -0.00010267 -0.00012807
-0.02147107 -0.05915032 0.01163117
6.92808325 -6.62024251 -6.39323575
-0.00022475 0.00038933 -0.00032371
-0.00543575 -0.00686621 -0.00255672
-1.15277829 -11.71316192 1.18287464
-0.00016825 -0.00005313 -0.00035708
0.00610873 0.00893803 0.00129099
-15.93770782 -1.81880785 5.64168260
0.00024834 -0.00012656 0.00042569
-0.02137881 -0.01385076 0.01240893
-9.28152555 3.35849267 -22.24762665
-0.00014753 -0.00023263 -0.00029436
0.00339693 -0.01699153 0.00782742
1.89737628 1.09449317 -1.42226817
-0.00029666 0.00001310 -0.00001082
0.02992016 0.02223135 -0.02072386
12.56884717 8.34276111 3.69371863
-0.00003476 -0.00031633 -0.00037832
-0.01402460 -0.00786265 -0.01759044
-7.00202580 -4.48817968 2.77344179
0.00082676 0.00016713 -0.00115376
-0.03698051 0.01775124 0.01070427
-9.81101299 -3.69188681 2.33047273
0.00157751 0.00096707 -0.00030057
-0.00756001 0.01200501 -0.02159368
-16.39049509 5.39166182 6.74874745
0.00050430 0.00012021 0.00022821
0.01529761 0.01723433 0.00297848
-17.46117359 3.65221118 4.72654366
-0.00091488 0.00014939 0.00017778
0.00020706 -0.00257107 -0.00540032
-15.90063798 0.82053954 0.44117077
0.00039871 -0.00072071 -0.00099933
-0.01286181 0.02897306 -0.00577117
-16.83000295 -1.83628919 -0.79655335
-0.00032190 0.00096235 -0.00069274
0.03783892 0.03895023 0.03768758
1.24167175 -20.93321426 15.20914806
-0.00041940 0.00157687 0.00074749
-0.00676925 -0.00099322 -0.00519244
3.11199206 -18.81988734 16.04963505
-0.00105387 0.00004674 -0.00024077
0.00340138 -0.01546856 -0.00828159
8.05986146 14.19243854 -1.21105368
0.00007398 0.00018920 0.00036442
0.00380701 -0.01001792 0.00757377
6.77443777 16.43180018 0.20596203
-0.00026437 -0.00011498 -0.00116479
0.00623291 -0.00352527 -0.00675913
-8.92603961 8.94270068 12.44353455
-0.00101441 -0.00124553 0.00001449
-0.00428587 0.00746794 -0.00019697
-10.79483926 10.95089671 11.39948091
0.00005056 0.00067368 0.00030125
-0.00284896 0.02684665 0.01329693
-10.04614127 0.37925510 -14.42528162
0.00081938 -0.00036237 0.00041497
0.00441253 0.00144977 0.00585687
-8.30057049 -1.29466981 -15.96500187
-0.00059587 0.00194443 0.00010302
0.00494273 -0.00273924 0.00303359
-11.99243201 1.03421669 -6.80980276
0.00033716 0.00042563 0.00039618
-0.02597462 -0.01678319 0.00583790
-11.10489158 3.76731641 -5.83073172
0.00036063 0.00067488 0.00033658
0.00018330 -0.00200025 0.00289784
-1.98358659 -6.46329243 14.81543496
0.00003795 0.00018132 0.00030109
-0.01102226 -0.00181301 -0.00500737
-0.52179721 -5.85711993 17.38031377
-0.00020858 -0.00053971 -0.00021491
0.00026901 0.00184920 -0.03163142
-24.27153436 -0.25214632 -19.62915164
0.00057841 0.00003315 -0.00134025
-0.02274665 -0.00798250 -0.01376290
-25.97972759 0.42160859 -22.14143209
-0.00110043 -0.00041157 -0.00095741
-0.00033420 -0.00472802 0.01812109
9.93563991 7.74806155 6.33869453
0.00104293 -0.00131447 0.00019293
0.00578705 0.00414528 -0.01480019
10.09322450 8.01747286 9.10628653
0.00008151 0.00022973 -0.00065929
0.00002027 0.00205570 0.00690124
19.94747750 27.65353820 -3.78667225
0.00012650 0.00013778 0.00050615
-0.01187112 -0.01401175 0.01726331
20.50818675 30.26713273 -4.79984024
0.00013785 -0.00025733 -0.00021914
-0.00748438 0.02669053 0.00679351
6.00630927 -0.96469561 -7.42265604
-0.00089310 0.00035443 -0.00053170
-0.02581469 0.01244861 -0.00081360
7.60299755 -3.37979178 -6.99186177
-0.00070298 0.00000649 0.00015427
-0.01207712 0.01506313 -0.00442499
-8.47693994 -2.27610357 12.46704332
0.00031165 0.00059047 -0.00035795
0.00461246 0.02180166 -0.01856063
-11.04627231 -3.37620172 13.59285319
-0.00000433 0.00105311 0.00006274
0.01838364 0.01617545 -0.00729120
-0.90139389 -24.46176316 14.62273400
-0.00016786 -0.00017078 -0.00127429
-0.00792040 0.01423266 -0.00466750
-3.05764144 -22.34364724 14.39636777
-0.00001996 -0.00064006 0.00016868
0.01887887 -0.00621796 -0.00957573
-12.71753833 -8.30820621 -7.46698192
-0.00033010 -0.00049477 -0.00012148
0.00412551 -0.00629457 0.00446224
-10.42152380 -6.83114102 -8.14520658
0.00095316 0.00170177 0.00109022
0.00113389 -0.04268754 -0.00559993
-15.99789215 -10.49544987 -15.55989693
0.00066426 0.00072089 0.00111526
0.00402352 0.03122296 0.00227203
-14.27129223 -7.99885580 -16.15302872
-0.00013243 0.00009384 0.00013977
-0.00368165 -0.00668424 0.00093424
17.36826824 12.87912571 5.42011314
-0.00013842 -0.00005415 0.00007148
-0.00361573 0.00240508 -0.00852001
16.99232042 14.42674279 2.82193830
-0.00009843 0.00007558 0.00006928
0.00453688 0.01777373 -0.00682291
18.22204457 -4.70451775 -14.83852634
-0.00017761 -0.00026784 0.00034220
0.01114151 0.01056796 -0.00202256
20.65548300 -3.04513194 -15.41954184
-0.00074766 -0.00103807 0.00006534
0.00160552 0.02596550 -0.01215989
-0.16037227 6.60084757 -13.89499201
0.00108466 -0.00033469 -0.00073802
-0.00665253 -0.01007992 0.00250616
-0.48920333 7.54266915 -16.62718285
-0.00084433 0.00131582 0.00009818
-0.00159922 -0.00544615 -0.01226828
0.50547972 0.80476040 -15.59723729
-0.00062130 0.00076836 0.00006151
0.00237335 -0.00266520 -0.00502597
2.32483468 -1.17349506 -16.90756355
-0.00053526 -0.00011163 0.00024348
-0.03664532 0.02115431 -0.00356690
12.37095110 22.39510799 -22.41733011
-0.00030246 0.00116290 -0.00003211
0.00954933 0.01543316 0.00565353
10.20579800 20.90646138 -23.37755097
0.00075463 -0.00010312 0.00004923
0.01852267 -0.01010840 0.00074733
-10.24509146 16.02273828 -17.39014862
-0.00003786 0.00041010 -0.00058904
0.01819052 0.01278144 -0.01906632
-10.95666088 15.90993991 -14.67403270
-0.00037832 0.00076132 0.00004550
-0.00875148 -0.01054859 -0.01625648
3.49172137 18.70068696 11.53585032
0.00132005 -0.00089603 -0.00049641
0.01630553 -0.01082122 -0.02209330
4.79484103 18.37578416 8.79727463
0.00021969 -0.00021531 -0.00017259
-0.00274694 -0.00038815 0.00790740
-3.96290152 -10.46905047 -3.38303472
0.00109345 -0.00013862 -0.00114404
0.02752589 -0.00622608 -0.02338325
-1.94972322 -11.17381357 -1.72881791
-0.00036956 0.00029134 0.00043186
0.02426902 -0.00951767 0.01270171
-0.00618704 -7.44246836 5.05098914
-0.00019668 0.00019272 0.00016037
0.01811841 -0.00151047 -0.00267225
2.81442737 -8.42373692 4.99969647
0.00014869 0.00030186 -0.00026913
0.03197975 -0.00239059 0.02479521
7.73777169 1.93992344 8.39416356
-0.00009071 0.00036792 -0.00073768
-0.00344774 0.00263818 0.00458448
9.65157347 4.10561519 8.24615696
-0.00038879 -0.00013267 0.00114266
-0.00277448 -0.02287337 -0.00198110
-8.37054288 -8.43096854 -4.19345759
-0.00079294 0.00068048 -0.00031407
0.01966343 0.00300063 -0.00211968
-8.12159778 -10.15867109 -2.12803914
0.00016847 0.00051670 -0.00035568
0.01816175 0.00837054 0.00322764
4.68354274 -13.38495677 -12.21351461
0.00025433 -0.00013780 -0.00008277
0.00551482 -0.01973707 0.00947127
2.28306593 -12.96465481 -13.98136301
-0.00040301 0.00062367 -0.00050526
0.00866894 0.00188101 0.00274932
1.50306856 -5.78132534 0.43747179
0.00057618 0.00086189 -0.00017169
0.00088826 -0.01488805 0.01828865
-0.38624633 -3.78877008 -0.41151784
-0.00005230 -0.00011979 -0.00036056
0.01071808 -0.00694541 0.00179094
17.32168760 3.24970028 25.71122291
-0.00032397 -0.00027450 0.00000532
0.00097951 -0.00590932 -0.00496030
16.71512032 3.71347025 28.38903940
-0.00011319 0.00051128 -0.00016025
-0.02131469 -0.02750688 0.04874575
-10.61161803 7.61770173 -3.35703975
0.00053091 0.00007059 0.00015544
-0.00446577 -0.02009397 -0.00309615
-8.40817605 6.97187768 -5.05967220
-0.00088447 -0.00028144 0.00031903
-0.00843808 -0.01540133 -0.00135130
-6.19519993 15.90550655 -9.14723217
0.00033810 0.00001383 -0.00051540
-0.00504085 0.00288288 -0.00753117
-4.46188691 14.42650378 -11.09889871
0.00059327 0.00000073 0.00006734
-0.00101852 -0.00352079 -0.00726792
2.74965891 11.07576514 -5.60150974
0.00001544 -0.00031491 0.00015242
-0.00244944 -0.01264196 0.00759342
1.44886610 13.38518838 -6.88661419
-0.00023470 0.00091934 0.00059143
-0.02067603 0.01437541 0.00516117
-2.46711886 10.96474395 -13.98468943
0.00046425 -0.00072603 0.00050691
-0.02731124 0.02244387 0.00480009
-5.18174658 10.72012829 -13.09137396
-0.00024814 -0.00007656 0.00019697
-0.00156182 0.01016958 -0.00281398
4.78792373 7.21134832 18.81621308
0.00050602 -0.00064241 -0.00048445
0.01127324 0.00017626 0.02458898
2.18286433 6.74141492 17.71307310
0.00006784 0.00002063 -0.00023022
-0.01983906 -0.00244478 0.00031018
-13.89536659 8.24464027 -9.06348375
-0.00035521 -0.00097074 -0.00090053
0.05988527 -0.01361880 -0.00912285
-16.04328124 8.34326562 -7.33184079
-0.00063228 -0.00039941 -0.00024834
-0.01342724 0.00035205 -0.02125525
5.27690641 10.12916294 0.76632415
0.00068027 -0.00082882 -0.00001141
0.05301434 0.05082859 0.00009573
2.19949778 10.10221187 0.50063390
-0.00077949 -0.00059308 -0.00093549
0.00747878 0.00774340 0.00415507
14.39068288 -23.81374185 -25.65875552
0.00023664 -0.00037484 -0.00029752
-0.00070378 -0.00133788 0.00359578
15.26912281 -25.08232030 -28.03893764
-0.00021069 -0.00127894 0.00015855
-0.01245144 -0.01247580 -0.02731018
3.83572491 4.01401445 0.08184399
-0.00035270 0.00074598 0.00145027
-0.01883280 -0.00783400 -0.00840072
5.74409510 5.68811905 1.28716452
0.00064621 -0.00075336 0.00000432
0.00362308 0.00720328 -0.00302836
18.01346185 -3.70444083 -0.22041442
0.00034395 -0.00024439 0.00130142
-0.00408051 0.01303868 0.00594378
16.11257366 -5.73822032 -1.22705618
0.00072505 0.00085926 -0.00003748
0.01345665 0.00042421 0.00763177
-6.59213223 2.77738308 -1.74978106
-0.00144537 0.00014300 0.00079871
0.02586784 -0.00364044 0.00116922
-4.97676229 1.30513609 -3.75716409
-0.00029788 -0.00033688 0.00027811
0.00030591 0.00669627 0.01524006
2.48913655 3.00163868 -12.03126081
-0.00054866 -0.00014761 -0.00112830
0.00536935 -0.01075399 0.00585670
0.28285895 0.98624738 -10.88860853
-0.00003892 -0.00058407 -0.00059813
0.01959699 0.05060278 -0.02251658
16.75245172 7.95254130 -8.10780761
-0.00050825 0.00035331 -0.00052629
0.02169283 0.00548490 -0.00036203
15.36896540 10.47585500 -6.41654894
0.00011691 0.00015215 0.00062520
0.02055202 0.01066605 -0.00707151
-7.34940001 1.23415254 11.20025658
-0.00017840 0.00118420 0.00012381
-0.00680490 -0.00018914 -0.01832213
-8.09158469 1.33296434 14.13004936
-0.00037467 0.00049981 0.00073901
0.02160165 0.00721305 -0.02881311
-2.64938489 -16.71403651 14.46012636
-0.00082750 0.00044914 0.00040293
-0.00993483 0.01878799 -0.02678629
-4.68969758 -17.84565012 12.54577982
0.00071062 -0.00016384 0.00064752
0.02680268 0.04241651 0.00671052
7.33061738 -6.20580639 -4.62970390
0.00049966 -0.00056813 0.00040341
-0.00854894 -0.00712248 0.00611036
5.39946425 -7.72326703 -6.41151644
-0.00044400 0.00051128 0.00065530
0.00576287 0.00916616 0.01060376
-2.82887244 -11.49762971 1.86389989
0.00021593 -0.00001347 -0.00035000
-0.01177354 0.00203617 0.00969511
-0.35298076 -10.15102097 1.80053144
-0.00022795 -0.00087713 -0.00020930
0.00083462 -0.00654468 0.00739458
-14.72709517 -0.70550437 6.31102043
0.00038445 0.00056229 0.00064894
0.01819927 0.01414153 0.01516756
-15.58687552 -1.66736165 3.88918634
0.00044922 0.00053526 0.00051572
-0.00164084 -0.00422879 -0.03239488
-9.57779555 4.39847072 -23.71033662
-0.00019340 -0.00052972 -0.00020096
-0.00805361 0.01289832 -0.01748736
-9.03956323 4.49558422 -20.88525703
-0.00004912 0.00099370 0.00000065
0.00262371 0.01242734 0.01905802
2.09241992 0.39531986 -3.09996766
-0.00045398 -0.00162125 -0.00019324
0.00445873 0.00677760 -0.00418734
0.55168037 0.23140939 -0.74319952
0.00020838 -0.00030724 -0.00141493
-0.03666528 -0.02251374 0.02263002
14.04309362 9.31651644 3.34255920
0.00034823 0.00030013 0.00036032
0.01533983 0.00794792 0.01001316
11.56245325 8.80478469 2.20112739
0.00079336 -0.00019781 0.00055896
-0.00590706 -0.00029701 0.00774011
5.36957222 -9.30313300 -10.57598953
-0.00008325 -0.00007149 -0.00009292
-0.00052788 0.01047456 -0.01022172
-12.94198618 10.38947484 21.30497665
0.00015019 -0.00004345 0.00007438
0.01040145 -0.00244395 -0.00585406
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06717641
0.32700260
435.71457298
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702034884
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 1.967 s
total exchange = -52.4220497616 (a.u.)
total exchange computation time: 3.3847489357 s
-154.4711452177
-931.39417766
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702034884
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.4211935623 (a.u.)
total exchange computation time: 3.3817119598 s
-154.4784764307
Anderson extrapolation: theta=1.3491471555 (1.3491471555)
-931.39443107
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702034884
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.4199218130 (a.u.)
total exchange computation time: 3.3808500767 s
-154.4892204119
Anderson extrapolation: theta=0.0538356229 (0.0538356229)
-931.39458222
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702034884
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.4197628077 (a.u.)
total exchange computation time: 3.3828592300 s
-154.4905294117
Anderson extrapolation: theta=1.9630486445 (1.9630486445)
-931.39458801
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702034884
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.059 s
total exchange = -52.4194259135 (a.u.)
total exchange computation time: 3.3812708855 s
-154.4932693447
Anderson extrapolation: theta=0.2284453682 (0.2284453682)
-931.39459393
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702034884
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.060 s
total exchange = -52.4193437681 (a.u.)
total exchange computation time: 3.3817310333 s
-154.4939006578
Anderson extrapolation: theta=1.8138393549 (1.8138393549)
-931.39459499
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702034884
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.057 s
total exchange = -52.4192183092 (a.u.)
total exchange computation time: 3.3837690353 s
-154.4948136974
Anderson extrapolation: theta=0.2795473453 (0.2795473453)
-931.39459609
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702034884
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.060 s
total exchange = -52.4192071946 (a.u.)
total exchange computation time: 3.3866119385 s
-154.4948433126
Anderson extrapolation: theta=1.2784005451 (1.2784005451)
-931.39459631
282.645113 30.021351 158.657150
-143.192011 489.880901 -806.641778
139.453102 519.902252 -647.984628
842.395155
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0702034884
ExchangeOperator: pair fraction: ispin=0: 0.1853758789
ExchangeOperator: bisection time: 2.058 s
total exchange = -52.4192109801 (a.u.)
total exchange computation time: 3.3669469357 s
679.58782417
-1085.13409924
89.69109402
-388.17768428
-174.94252010
79.09174566
551.60419304
0.00000000
-931.39459640
-8.65130056 -3.96572802 3.67787909
0.00019740 0.00001985 0.00009586
0.06156661 -0.01234585 -0.00827499
-17.74195126 4.26196713 6.40321954
0.00020821 -0.00034001 -0.00026856
-0.01001418 -0.00713974 0.01247378
-15.48159698 -0.91609338 0.32248603
0.00024341 -0.00016100 -0.00011200
-0.02058952 -0.07231167 -0.03119903
3.01698677 -20.57625070 15.44545580
-0.00026696 -0.00006618 -0.00013266
0.01258997 0.01670474 0.01375441
7.83572200 16.01071825 -1.22966589
0.00027986 0.00001802 0.00020713
-0.00272256 0.01093513 -0.00730104
-9.99675309 9.41345308 10.98988361
-0.00019275 -0.00024856 -0.00019802
0.00749779 -0.02536772 -0.00779825
-8.36710902 -0.39991429 -14.36176711
-0.00018458 0.00009487 -0.00028112
0.00037525 0.00184030 0.00058571
-10.81152491 2.35068466 -6.96041734
-0.00006612 -0.00028096 -0.00006552
0.02689742 0.01764520 -0.01035778
-0.45069811 -5.71904196 15.49346288
-0.00025911 0.00003528 0.00042747
0.01077238 0.00334973 0.03221813
-25.80982871 -0.74974816 -20.63439398
-0.00008933 -0.00002977 0.00020652
0.02849605 0.02127138 -0.00803250
8.89064674 7.48002071 7.79648418
0.00007148 -0.00012370 -0.00016710
0.00173061 -0.01027842 -0.00031291
20.90837977 28.50858298 -5.03106968
0.00027915 -0.00036879 0.00003632
0.01927600 -0.01825676 -0.00900604
7.68387048 -1.54130299 -7.28647203
0.00012573 -0.00000558 -0.00006202
0.02644599 -0.01802697 0.00494986
-9.18775168 -3.47560589 13.58464539
0.00015377 -0.00025820 0.00022773
-0.02398202 -0.03140057 0.01470425
-1.22642895 -22.66674668 14.12738233
0.00011561 0.00003202 0.00036983
-0.01862711 -0.01606114 0.00804251
-10.97148709 -8.67264507 -8.02357537
0.00008304 -0.00012690 0.00022683
0.00484783 0.05477305 0.00281382
-15.92974197 -8.60609025 -15.53284407
-0.00012855 -0.00018547 -0.00008262
-0.00599464 -0.01866034 -0.00192859
17.01893703 12.81448928 3.59100907
0.00044315 0.00010664 -0.00005706
-0.00032954 -0.02998783 0.00942982
20.04927996 -4.61835357 -14.83603807
-0.00015494 -0.00000267 -0.00020008
-0.01387834 -0.04737782 0.01367310
-0.28560833 8.08751794 -14.92642794
0.00016164 -0.00026835 -0.00008386
-0.00623566 0.01333870 0.01275008
0.55819759 -0.37465072 -17.02956962
-0.00012688 0.00044495 -0.00009075
0.03337406 -0.01289776 0.01347927
12.08636002 20.77260316 -23.19543670
0.00033809 -0.00061183 -0.00012122
-0.02860559 -0.00288162 -0.00127817
-11.38391531 15.13398681 -16.31268272
-0.00029148 -0.00038414 0.00010190
-0.00743663 -0.00722498 0.04573994
4.71356760 17.72105449 10.51009139
0.00017631 0.00027243 -0.00034025
-0.00658740 -0.00175174 0.01141211
-2.16549291 -11.09983469 -3.54827495
-0.00020363 0.00004523 -0.00003873
-0.03777236 0.01492012 -0.00352233
1.38079983 -8.12536463 4.01416319
0.00020678 0.00008244 0.00043188
-0.05325097 0.01507315 -0.02634878
9.53141925 2.20635326 8.30170840
-0.00019157 0.00047299 0.00007299
-0.00061914 0.02107429 -0.00042880
-6.97958268 -9.01411728 -3.09227350
-0.00027092 0.00029851 0.00001987
-0.05382009 -0.00859914 -0.00713733
3.79965563 -12.19100912 -13.21691885
-0.00018106 0.00023949 -0.00030722
-0.01078167 0.00793547 -0.01125123
1.26544861 -4.50952500 -0.79566984
0.00001214 -0.00002236 0.00029458
-0.01146745 0.02227981 -0.02333113
17.31063780 4.53223441 26.98324059
0.00044377 0.00005059 -0.00026765
0.02156331 0.02914677 -0.04330517
-9.81613210 6.08263013 -4.10411027
-0.00026914 0.00034662 0.00068444
0.00647161 0.04536831 0.00610559
-4.67712598 14.93947878 -9.36909643
0.00034083 0.00000529 -0.00006816
0.00794276 0.00076622 0.02065471
2.86552615 12.29184213 -6.93160588
-0.00013741 0.00026153 -0.00016500
0.02116222 0.00428193 -0.00843525
-4.04519181 12.05337197 -13.69022937
0.00021163 0.00025628 0.00011339
0.02839251 -0.04270782 -0.00037262
3.84079800 7.34174534 17.31071548
-0.00003185 0.00006853 0.00008163
0.00806582 0.00526473 -0.01947716
-15.58423018 8.62719509 -9.12808366
-0.00017793 -0.00008605 0.00012671
-0.04145541 0.01137531 0.02744835
3.80468811 9.27629914 0.65064351
0.00016674 0.00004252 0.00021114
-0.05970808 -0.06552848 -0.00319769
15.89805773 -24.10880346 -26.70110841
0.00010861 -0.00010454 0.00007376
0.01171157 0.00761314 0.02087496
5.60260199 4.13837850 0.35095574
-0.00022917 0.00002953 0.00035538
0.01422408 -0.00226979 0.00794683
17.33493674 -5.35479112 0.10750868
0.00008818 -0.00017370 -0.00039780
-0.01105782 -0.01920696 0.00130112
-4.78898052 2.42676807 -2.26532834
0.00018593 0.00007954 0.00027524
-0.02189895 -0.00075294 -0.01328405
0.72428362 2.60506074 -11.94355432
-0.00013880 0.00019453 -0.00018469
-0.03295769 -0.04186030 0.00882185
15.39916678 8.82957108 -7.13978775
-0.00017595 -0.00016259 0.00036619
-0.04092294 -0.01692614 0.00883691
-6.62212502 1.10502941 12.83419267
-0.00030314 0.00016818 0.00002149
-0.01071819 0.00235382 0.04318635
-3.62740379 -16.20735268 12.86135052
-0.00022982 -0.00013255 -0.00012183
-0.01993391 -0.05705239 0.01265393
6.92469096 -6.61442908 -6.39810123
-0.00022750 0.00038585 -0.00032375
-0.00523633 -0.00667021 0.00238893
-1.15527841 -11.71392442 1.17752345
-0.00016501 -0.00004950 -0.00035692
0.00646935 0.00518129 -0.00065829
-15.93406516 -1.82075971 5.64811582
0.00023851 -0.00013268 0.00043244
-0.01686488 -0.00992917 0.01386002
-9.28372534 3.35493772 -22.25201187
-0.00014534 -0.00024015 -0.00028833
0.00511058 -0.01227927 0.01563852
1.89304176 1.09477544 -1.42251038
-0.00027990 0.00002453 -0.00002372
0.03525088 0.02220753 -0.02942845
12.56827160 8.33798590 3.68797602
-0.00003980 -0.00032029 -0.00038593
-0.00554029 -0.00755730 -0.01199539
-6.99075760 -4.48512880 2.75646336
0.00066983 0.00024073 -0.00110372
-0.03983942 0.01827475 0.01378962
-9.78758193 -3.67701288 2.32530243
0.00154010 0.00101783 -0.00039360
-0.01075304 0.01284088 -0.02394543
-16.38246177 5.39399307 6.75226193
0.00055837 0.00018319 0.00023668
0.01116697 0.01359681 0.00116574
-17.47489042 3.65437323 4.72904491
-0.00091111 0.00013553 0.00014440
0.00163530 -0.00421290 -0.01093868
-15.89505153 0.81061673 0.42600393
0.00034509 -0.00059177 -0.00102101
-0.01338310 0.03414415 -0.00483905
-16.83367193 -1.82066034 -0.80578959
-0.00016557 0.00111858 -0.00053767
0.03868622 0.03752300 0.03822053
1.23517337 -20.90959163 15.22020129
-0.00045002 0.00156821 0.00072442
-0.00822085 -0.00324658 -0.00610058
3.09628824 -18.81966019 16.04576979
-0.00103622 -0.00001598 -0.00027393
0.00523988 -0.01523662 -0.00795033
8.06108785 14.19496954 -1.20535532
0.00009015 0.00014573 0.00039513
0.00410959 -0.01126071 0.00746113
6.77066317 16.42996744 0.18828301
-0.00024622 -0.00012586 -0.00118242
0.00265128 -0.00179779 -0.00186829
-8.94138703 8.92424664 12.44374580
-0.00103143 -0.00121407 0.00001379
-0.00404875 0.00792858 -0.00014200
-10.79416813 10.96182456 11.40440705
0.00004597 0.00077036 0.00035265
0.00060269 0.02047941 0.01186441
-10.03371530 0.37386392 -14.41887756
0.00082322 -0.00034933 0.00043940
-0.00253628 0.00493741 0.00609891
-8.30935708 -1.26558725 -15.96336360
-0.00057333 0.00192316 0.00009915
0.00609260 -0.00767452 -0.00492847
-11.98817057 1.04008685 -6.80368122
0.00022218 0.00034730 0.00042150
-0.03030888 -0.02155982 0.00655719
-11.09947656 3.77737828 -5.82559422
0.00036322 0.00065671 0.00034059
0.00108402 -0.00689326 -0.00093452
-1.98335515 -6.46062824 14.81979781
-0.00000992 0.00017229 0.00027901
-0.01241045 -0.00260304 -0.00579886
-0.52491760 -5.86515895 17.37612088
-0.00020779 -0.00053187 -0.00033614
0.00011743 0.00198920 -0.02771474
-24.26355529 -0.25189371 -19.64967717
0.00048766 0.00000171 -0.00139366
-0.02167673 -0.00740429 -0.01237892
-25.99624430 0.41529018 -22.15523799
-0.00110011 -0.00043402 -0.00087763
0.00048904 -0.00625964 0.02093273
9.95146115 7.72847151 6.34113493
0.00106427 -0.00129804 0.00013275
0.00465969 0.00389653 -0.01465713
10.09444770 8.02098179 9.09660863
0.00008269 0.00023922 -0.00062730
0.00056068 0.00258925 0.00876128
19.94901127 27.65517551 -3.77855095
0.00008007 0.00008179 0.00057407
-0.01085827 -0.01339563 0.01598288
20.51002515 30.26409060 -4.80291914
0.00010820 -0.00015059 -0.00019204
-0.00702815 0.02556141 0.00647132
5.99212166 -0.95899763 -7.43065648
-0.00097850 0.00039913 -0.00053354
-0.01598742 0.00942867 -0.00008822
7.59208283 -3.37923280 -6.98968331
-0.00075132 0.00006756 0.00013625
-0.01158574 0.01483030 -0.00439779
-8.47212392 -2.26657842 12.46110524
0.00032525 0.00066757 -0.00042197
0.00204465 0.01593665 -0.01277358
-11.04577399 -3.35990937 13.59357080
0.00007221 0.00111765 0.00003406
0.01908543 0.01541684 -0.00674367
-0.90415448 -24.46388871 14.60347667
-0.00019858 -0.00011522 -0.00129116
-0.00711733 0.01296344 -0.00359312
-3.05736232 -22.35343866 14.39860449
0.00005669 -0.00066453 0.00012954
0.01864166 -0.00576245 -0.00958049
-12.72236339 -8.31582069 -7.46866740
-0.00030979 -0.00051919 -0.00010450
0.00581784 -0.00565734 0.00384941
-10.40719170 -6.80692253 -8.12902481
0.00095038 0.00150952 0.00106772
-0.00249122 -0.05142091 -0.00541576
-15.98780498 -10.48367977 -15.54309835
0.00067944 0.00083593 0.00112308
0.00341025 0.02509182 0.00155618
-14.27339145 -7.99765301 -16.15090351
-0.00014721 0.00006683 0.00014368
-0.00355331 -0.00653892 0.00097694
17.36608121 12.87838720 5.42092425
-0.00015277 -0.00004399 0.00003679
-0.00340899 0.00256567 -0.00846033
16.99098298 14.42842109 2.82276849
-0.00008028 0.00014877 0.00004132
0.00434777 0.01805327 -0.00686712
18.21972190 -4.70821156 -14.83345528
-0.00013159 -0.00022466 0.00033374
0.01138316 0.01057058 -0.00212119
20.64431731 -3.05990737 -15.41893436
-0.00073431 -0.00091300 0.00000879
0.00492870 0.03525651 -0.01552107
-0.14430625 6.59551841 -13.90598545
0.00105764 -0.00037922 -0.00072677
-0.00657326 -0.01171785 0.00300118
-0.50191726 7.56223950 -16.62608611
-0.00085182 0.00129011 0.00004013
-0.00206670 -0.00713522 -0.01614672
0.49623290 0.81620410 -15.59646866
-0.00061062 0.00075392 0.00003752
0.00285578 -0.00440072 -0.00671490
2.31568287 -1.17452129 -16.90402072
-0.00068319 -0.00002488 0.00022934
-0.03576778 0.02131172 -0.00335082
12.36670689 22.41302442 -22.41763853
-0.00026567 0.00120526 -0.00001866
0.00845535 0.00529978 0.00093026
10.21768511 20.90460486 -23.37678956
0.00082425 -0.00014614 0.00005095
0.01555536 -0.01095035 0.00009117
-10.24510191 16.02928149 -17.39956847
0.00002673 0.00045506 -0.00065776
0.01342783 0.00922723 -0.01457152
-10.96260390 15.92103644 -14.67384831
-0.00041520 0.00071572 -0.00002504
-0.00929882 -0.01177133 -0.01827273
3.51202173 18.68691494 11.52772713
0.00137293 -0.00092857 -0.00057615
0.00958129 -0.00510858 -0.01693924
4.79805227 18.37254261 8.79492806
0.00020833 -0.00021470 -0.00014450
-0.00281616 0.00068877 0.00584464
-3.94565634 -10.47132055 -3.40091193
0.00119117 -0.00015916 -0.00123734
0.02031194 -0.00383088 -0.02228590
-1.95452289 -11.16973510 -1.72195082
-0.00027172 0.00025278 0.00047708
0.02362253 -0.00936035 0.00943416
-0.00858202 -7.43962385 5.05331282
-0.00011981 0.00018543 0.00014891
0.01950847 -0.00205960 -0.00293703
2.81763761 -8.41928227 4.99641925
0.00028519 0.00029106 -0.00016277
0.03484036 -0.00289833 0.02727112
7.73630533 1.94552307 8.38323880
-0.00010694 0.00037836 -0.00071885
-0.00449324 0.00247177 0.00463638
9.64565667 4.10292417 8.26323617
-0.00039905 -0.00021886 0.00113372
-0.00224792 -0.01931330 -0.00239780
-8.38183450 -8.42066944 -4.19823364
-0.00070627 0.00068930 -0.00031688
0.02276467 0.00131853 0.00074452
-8.11851413 -10.15066410 -2.13327544
0.00023792 0.00054635 -0.00033862
0.01583352 0.00614582 0.00512269
4.68752664 -13.38762852 -12.21446595
0.00027053 -0.00021138 -0.00005033
0.00241843 -0.01628149 0.00640901
2.27728641 -12.95524215 -13.98885759
-0.00036599 0.00063099 -0.00049309
0.00945419 0.00170253 0.00320338
1.51173844 -5.76885325 0.43545692
0.00058124 0.00079074 -0.00008625
0.00158844 -0.01994101 0.02353198
-0.38670234 -3.79077977 -0.41687140
-0.00000978 -0.00014822 -0.00035218
0.01009272 -0.00696915 0.00231163
17.31685800 3.24540169 25.71115071
-0.00031953 -0.00029825 -0.00001460
0.00119502 -0.00571402 -0.00479294
16.71276936 3.72029653 28.38812935
-0.00019928 0.00040140 0.00003612
-0.02082821 -0.02627873 0.04737706
-10.60379126 7.61814476 -3.35480300
0.00050725 -0.00000377 0.00014742
-0.00711512 -0.01630241 -0.00082903
-8.42170166 6.96718414 -5.05492821
-0.00091328 -0.00034188 0.00031048
-0.00566280 -0.01418673 -0.00283210
-6.19028288 15.90580227 -9.15519389
0.00031706 0.00002573 -0.00054591
-0.00525787 0.00294315 -0.00740555
-4.45301906 14.42640678 -11.09811134
0.00058944 -0.00001434 0.00003623
-0.00085593 -0.00385484 -0.00796011
2.74981552 11.07065415 -5.59899080
0.00000603 -0.00035927 0.00017575
-0.00215912 -0.00907483 0.00382664
1.44471199 13.39941906 -6.87758453
-0.00031199 0.00097232 0.00061232
-0.01715828 0.01155700 0.00506415
-2.46099206 10.95454125 -13.97693872
0.00034820 -0.00063032 0.00052688
-0.02949579 0.02440589 0.00497469
-5.18551649 10.71929151 -13.08850563
-0.00025009 -0.00002930 0.00018321
0.00060661 0.01296317 -0.00392168
4.79585942 7.20171760 18.80969979
0.00055220 -0.00064225 -0.00038258
0.01133585 -0.00010112 0.02527646
2.18327401 6.74164950 17.70962926
-0.00001426 0.00000984 -0.00022770
-0.02034984 -0.00283791 0.00092253
-13.89885964 8.22966179 -9.07727130
-0.00011397 -0.00102653 -0.00093694
0.05820410 -0.01368721 -0.00869971
-16.05317694 8.33728522 -7.33621725
-0.00068584 -0.00039842 -0.00033238
-0.01278917 0.00013499 -0.01988299
5.28873504 10.11828814 0.76615594
0.00089410 -0.00062157 -0.00001210
0.05165269 0.05062510 -0.00043259
2.18803463 10.09355301 0.48672894
-0.00073803 -0.00056464 -0.00091772
0.01281510 0.00617397 0.00453916
14.39421097 -23.81940548 -25.66310814
0.00023010 -0.00037912 -0.00027965
-0.00249746 -0.00075742 0.00515419
15.26558092 -25.10188670 -28.03739622
-0.00025622 -0.00132218 0.00005722
-0.00983790 -0.00868932 -0.02229338
3.82985728 4.02496407 0.10334063
-0.00043003 0.00071388 0.00141571
-0.01901865 -0.00787760 -0.00851611
5.75389927 5.67703933 1.28713656
0.00066290 -0.00071316 -0.00000155
0.00454864 0.01247473 0.00015437
18.01849605 -3.70770720 -0.20071094
0.00032899 -0.00018670 0.00132479
-0.00323988 0.01520420 0.00549497
16.12386169 -5.72531835 -1.22738444
0.00077125 0.00085847 -0.00001597
0.00916247 -0.00081474 0.00289389
-6.61302010 2.77941652 -1.73776464
-0.00132358 0.00012516 0.00079960
0.03374787 -0.00509198 -0.00072975
-4.98122118 1.30028813 -3.75252541
-0.00029587 -0.00030734 0.00034244
0.00068198 0.00776081 0.01624893
2.48107122 2.99909494 -12.04800591
-0.00051926 -0.00019033 -0.00110497
0.00902198 -0.01015523 0.00556692
0.28287560 0.97903699 -10.89827038
0.00004170 -0.00037470 -0.00069082
0.01986864 0.05188413 -0.02285707
16.74549277 7.95800902 -8.11571312
-0.00042046 0.00037596 -0.00052706
0.02127967 0.00560168 -0.00001365
15.37134890 10.47846416 -6.40738768
0.00020027 0.00018980 0.00059322
0.02024919 0.00775967 -0.00857900
-7.35228451 1.25190975 11.20155227
-0.00020677 0.00118403 0.00004931
-0.00708385 0.00010443 -0.01814335
-8.09654281 1.34068258 14.14025156
-0.00028480 0.00052838 0.00061797
0.02239036 0.00677253 -0.03043737
-2.66210190 -16.70672364 14.46534951
-0.00086639 0.00052582 0.00029399
-0.00909764 0.01874764 -0.02654326
-4.67821689 -17.84680793 12.55569821
0.00081573 0.00000532 0.00067224
0.02464872 0.04038559 0.00539080
7.33785036 -6.21454661 -4.62346546
0.00046375 -0.00059778 0.00042029
-0.00903247 -0.00738835 0.00214968
5.39298083 -7.71531695 -6.40136199
-0.00041959 0.00054869 0.00069654
0.00618870 0.00914651 0.00958510
-2.82599434 -11.49776931 1.85894690
0.00016279 -0.00000503 -0.00030856
-0.01423406 0.00209569 0.01059321
-0.35637442 -10.16437850 1.79761850
-0.00021997 -0.00089568 -0.00017630
0.00307331 -0.00253481 0.00876215
-14.72077079 -0.69663670 6.32121931
0.00045025 0.00061211 0.00070645
0.01401281 0.01024433 0.01298479
-15.58018746 -1.65946240 3.89592942
0.00044186 0.00051752 0.00038460
-0.00196108 -0.00445075 -0.03178861
-9.58094327 4.39092019 -23.71388685
-0.00022759 -0.00047491 -0.00027534
-0.00868238 0.01393170 -0.01892398
-9.04021958 4.51087058 -20.88466332
-0.00004065 0.00103296 0.00006533
0.00152281 0.00679055 0.01260296
2.08574690 0.37120883 -3.10299460
-0.00043439 -0.00158689 -0.00020079
0.00512861 0.01004262 0.00049282
0.55368260 0.22611097 -0.76372997
0.00004636 -0.00040593 -0.00131424
-0.04264606 -0.02579826 0.02665555
14.04878707 9.32126194 3.34827082
0.00040323 0.00032760 0.00040297
0.01158652 0.00549991 0.01086502
11.57417266 8.80180843 2.20974900
0.00075986 -0.00019487 0.00057737
-0.01048983 0.00173485 0.00127210
5.36832211 -9.30417719 -10.57741077
-0.00008343 -0.00006772 -0.00009654
-0.00051414 0.01057799 -0.01001686
-12.93971520 10.38881879 21.30608216
0.00015259 -0.00004402 0.00007302
0.01029445 -0.00244447 -0.00586172
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.06717881
0.32741758
436.26751578
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0699127907
ExchangeOperator: pair fraction: ispin=0: 0.1843374797
ExchangeOperator: bisection time: 1.879 s
total exchange = -52.4211759440 (a.u.)
total exchange computation time: 3.3451001644 s
-154.4715485667
-931.39432140
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0699127907
ExchangeOperator: pair fraction: ispin=0: 0.1843374797
ExchangeOperator: bisection time: 1.878 s
total exchange = -52.4203116756 (a.u.)
total exchange computation time: 3.3427038193 s
-154.4790189358
Anderson extrapolation: theta=1.3468987495 (1.3468987495)
-931.39457181
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0699127907
ExchangeOperator: pair fraction: ispin=0: 0.1843374797
ExchangeOperator: bisection time: 1.879 s
total exchange = -52.4190390857 (a.u.)
total exchange computation time: 3.3479390144 s
-154.4899323651
Anderson extrapolation: theta=0.0530268467 (0.0530268467)
-931.39472056
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0699127907
ExchangeOperator: pair fraction: ispin=0: 0.1843374797
ExchangeOperator: bisection time: 1.879 s
total exchange = -52.4188889413 (a.u.)
total exchange computation time: 3.3449609280 s
-154.4912300648
Anderson extrapolation: theta=1.9428897786 (1.9428897786)
-931.39472605
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0699127907
ExchangeOperator: pair fraction: ispin=0: 0.1843374797
ExchangeOperator: bisection time: 1.879 s
total exchange = -52.4185786943 (a.u.)
total exchange computation time: 3.3481860161 s
-154.4938995300
Anderson extrapolation: theta=0.2275756737 (0.2275756737)
-931.39473146
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0699127907
ExchangeOperator: pair fraction: ispin=0: 0.1843374797
ExchangeOperator: bisection time: 1.880 s
total exchange = -52.4185080174 (a.u.)
total exchange computation time: 3.3450849056 s
-154.4944912404
Anderson extrapolation: theta=1.8526949107 (1.8526949107)
-931.39473239
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0699127907
ExchangeOperator: pair fraction: ispin=0: 0.1843374797
ExchangeOperator: bisection time: 1.877 s
total exchange = -52.4184038404 (a.u.)
total exchange computation time: 3.3456480503 s
-154.4953350271
Anderson extrapolation: theta=0.2909431978 (0.2909431978)
-931.39473329
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0699127907
ExchangeOperator: pair fraction: ispin=0: 0.1843374797
ExchangeOperator: bisection time: 1.877 s
total exchange = -52.4183999482 (a.u.)
total exchange computation time: 3.3444871902 s
-154.4953370892
Anderson extrapolation: theta=1.2949701063 (1.2949701063)
-931.39473346
282.687264 30.106788 158.680386
-143.207073 489.923630 -806.675902
139.480192 520.030418 -647.995515
842.487120
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0699127907
ExchangeOperator: pair fraction: ispin=0: 0.1843374797
ExchangeOperator: bisection time: 1.875 s
total exchange = -52.4184140662 (a.u.)
total exchange computation time: 3.2806148529 s
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0699127907
ExchangeOperator: pair fraction: ispin=0: 0.1843374797
ExchangeOperator: bisection time: 1.878 s
total exchange = -52.4184140662 (a.u.)
total exchange computation time: 3.2801868916 s
[qbox] save md130.xml
SampleWriter: write time: 1.481 s
SampleWriter: file size: 1595163516
SampleWriter: aggregate write rate: 1027.49 MB/s
[qbox] End of command stream
6760.65
2013-11-13T14:39:45Z