============================
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
2013-11-25T09:28:59Z
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 md178.xml
LoadCmd: loading from md178.xml
SampleReader: reading from file md178.xml size: 1595163516
XMLGFPreprocessor: read time: 1.771
XMLGFPreprocessor: local read rate: 0.2097 MB/s aggregate read rate: 858.9 MB/s
XMLGFPreprocessor: tag fixing time: 0.02278
XMLGFPreprocessor: segment definition time: 5.542
XMLGFPreprocessor: boundary adjustment time: 1.707
XMLGFPreprocessor: transcoding time: 0.004943
XMLGFPreprocessor: byte swapping time: 0.000576
XMLGFPreprocessor: data redistribution time: 0.1291
XMLGFPreprocessor: XML compacting time: 0.0152
XMLGFPreprocessor: total time: 10.57
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: 12.972913 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: 0.0539244186
ExchangeOperator: pair fraction: ispin=0: 0.1258842618
ExchangeOperator: bisection time: 1.125 s
total exchange = -52.3093529036 (a.u.)
total exchange computation time: 2.5526509285 s
677.84208604
-1082.22437411
89.94065156
-390.00119582
-174.62277734
77.48148381
551.60419304
0.00000000
-931.37496257
-9.25402241 -5.47869895 9.56765907
-0.00002761 0.00027265 0.00014494
-0.02519142 0.01932824 -0.02478785
-13.87741332 5.11910557 9.09157240
0.00000996 -0.00013657 -0.00014863
0.00822731 0.01603142 0.00390866
-15.78210216 1.66020915 3.00190070
0.00016916 -0.00014455 -0.00015377
-0.02771887 -0.00146972 -0.01764744
2.44522430 -19.68235626 13.14347776
0.00021407 -0.00009771 0.00044411
0.00460001 0.00089793 0.00883534
9.46250884 20.76866037 0.56886291
0.00048933 0.00002685 -0.00007983
-0.00756563 0.03910001 -0.01013463
-11.08047659 12.72211409 15.10562766
0.00000044 -0.00013067 0.00019587
-0.01084500 0.01930971 -0.00700047
-6.01365659 1.15977148 -13.06394220
-0.00008494 -0.00004123 0.00016411
-0.00270057 0.00475353 0.03875180
-9.10497204 6.45434200 -6.89183453
0.00024949 0.00032222 0.00010789
-0.00395145 -0.01176140 -0.00395973
-7.67905738 -3.71731327 18.06428917
0.00021499 0.00000689 0.00005580
0.00902583 0.02875571 0.01872423
-23.22978992 -7.46180990 -23.34543649
-0.00004561 -0.00031772 -0.00014493
-0.00215741 -0.00099862 -0.00982105
8.05582068 12.86648320 6.48029561
0.00044419 0.00041637 -0.00002124
0.01590965 -0.02971420 0.03856180
23.43398273 29.21817423 -3.38322705
-0.00033133 -0.00044161 0.00034809
-0.00405576 0.02825297 -0.00206996
9.09351272 -0.23015933 -14.64888112
0.00033999 0.00027446 0.00009282
0.00592112 0.00267120 0.00081508
-8.86032913 -0.94437940 12.80009674
-0.00025170 -0.00010064 -0.00018148
-0.04388887 -0.03144075 0.01198959
-2.01650405 -25.95047645 10.36567246
-0.00033502 0.00002944 0.00029300
-0.00433587 -0.00891406 0.02629136
-15.11541697 -4.29332392 -7.24586899
-0.00012270 0.00025502 0.00018721
0.00420405 -0.01192135 -0.00696472
-19.41350717 -10.97479027 -18.29655107
0.00013728 0.00015161 -0.00004947
0.01354903 -0.01564562 0.00092090
21.52946843 5.08184113 4.67097740
-0.00053682 0.00018826 0.00004173
0.00539371 0.00926376 -0.00408535
18.77761352 -11.67530140 -13.48699903
0.00075599 0.00007346 0.00024155
0.05547022 -0.03755269 -0.04729605
-2.84851455 -0.12131021 -6.73618431
-0.00031636 -0.00045487 0.00026446
-0.01581261 0.01166037 0.00015922
-4.02061656 -3.15880190 -17.49505214
0.00033291 -0.00010174 -0.00013466
0.00655469 -0.02949326 0.01338946
14.24419341 16.43811211 -21.21134895
-0.00005208 0.00001769 -0.00014720
-0.01166992 -0.00927934 0.00291357
-14.84631004 17.22957583 -13.17012855
0.00032830 0.00032491 -0.00042903
0.01139088 0.01998131 0.02957418
1.67857695 15.04144712 8.28525700
-0.00000289 -0.00008481 -0.00036932
-0.02613371 0.01537463 -0.01817304
-4.58615611 -9.33331621 3.99086089
0.00024963 0.00019938 -0.00017382
-0.00042694 -0.00540721 -0.03053966
2.11947127 -5.21697702 2.39223502
0.00002846 -0.00010677 -0.00012953
0.02572367 0.04615445 -0.03026031
9.74142585 7.04851357 4.55116670
-0.00016340 0.00010339 -0.00008209
0.02845087 -0.03350755 0.03759970
-9.14532937 -9.98636962 -2.82372138
-0.00034363 -0.00026071 -0.00003276
0.03406189 -0.04007114 0.01654546
3.55092946 -15.55785824 -12.93737507
0.00012714 -0.00014312 -0.00025255
0.00744013 0.04329401 -0.02313009
3.80114663 -5.72593385 -3.53336261
0.00009705 -0.00005613 0.00045716
-0.02206963 0.01863014 -0.02008643
18.45850004 1.84070820 24.58713712
-0.00004251 0.00022192 -0.00003387
-0.01747550 -0.00436065 -0.01192670
-8.77191634 2.76003471 1.50501491
-0.00016579 -0.00024423 0.00010697
0.00283498 0.00499651 -0.00631776
-6.40947576 12.87894781 -9.93958343
0.00054887 -0.00025525 0.00023154
-0.01930550 -0.00375753 0.01211383
1.65291964 13.14699895 -7.58003931
-0.00009363 0.00022779 0.00007934
0.00504921 0.00811003 -0.00335306
-10.79145263 10.11286474 -12.50962583
-0.00018993 -0.00013657 -0.00010032
-0.00755642 -0.00177048 -0.00313616
8.03342810 4.25610774 14.54629346
-0.00015973 -0.00029888 0.00000006
-0.00176800 -0.01457058 0.01882521
-15.66811121 9.52343395 -8.28279598
0.00029823 0.00030035 0.00043467
0.02664083 0.01804255 0.00902585
8.91376279 7.78863580 -2.98044054
-0.00017064 -0.00013218 -0.00003004
0.00395580 0.04366814 0.02815616
14.15210177 -20.62100964 -26.82818312
0.00002238 -0.00019306 0.00019886
-0.01189854 -0.02103639 0.03002260
4.96471511 7.09711270 1.44645308
-0.00007405 -0.00007325 0.00035623
-0.00027956 0.00901023 0.01442824
18.49784388 -5.85856888 -7.48368141
-0.00047334 0.00012280 -0.00018151
0.02186222 -0.02639223 -0.00482442
-1.81962675 -1.96071444 -2.04600076
-0.00020673 -0.00020317 -0.00017755
-0.00537696 0.01568224 0.01417712
2.77865668 -1.99257801 -12.01359855
-0.00012772 -0.00009318 -0.00004970
0.03538785 -0.03204930 -0.00042898
19.57979682 9.37092074 -6.29189052
0.00013257 -0.00010892 0.00013655
-0.02820613 0.02349131 -0.00448061
-7.42459394 5.96118215 9.07467577
-0.00027556 -0.00020047 -0.00044187
-0.00682054 0.01322037 0.02266038
-1.92472721 -16.00159831 11.49804368
0.00024267 -0.00014587 -0.00018966
-0.01617141 0.01245714 -0.01130274
7.49380632 -0.42519367 -4.32121626
0.00013612 -0.00010503 -0.00061262
0.03227246 0.01274604 0.04042169
-0.91358243 -12.02570268 0.60345090
-0.00008382 -0.00006856 0.00006598
-0.00652949 -0.00455190 -0.00147912
-19.97848968 -0.95014054 5.22761423
0.00002762 0.00051457 0.00016720
-0.00433447 0.00122169 0.01841279
-6.16800957 7.74467731 -24.86332251
-0.00009951 0.00016061 -0.00030384
-0.01377120 0.01609303 -0.02949791
2.84212499 1.88131145 -1.73137267
-0.00036197 -0.00000020 -0.00023915
-0.01622843 -0.02217470 -0.00235073
14.88884171 8.26692589 4.07122077
-0.00024308 -0.00006750 0.00006235
0.01731307 0.00942162 0.04471966
-8.29226122 -6.55235226 10.63716371
0.00033980 -0.00084316 0.00014994
0.01330498 -0.02608769 0.00639722
-10.01284957 -6.46313127 8.18729006
-0.00019042 0.00061441 -0.00014133
0.01239562 0.00487800 0.02080299
-13.33057898 6.20540677 7.70269021
0.00050341 -0.00011938 0.00011072
-0.00059539 -0.00405563 -0.00154228
-13.86148160 3.47018714 8.35558803
-0.00021301 0.00006089 -0.00118570
0.00135551 -0.01686437 0.00147431
-15.04483578 1.81357955 4.63437317
-0.00002119 0.00029091 0.00033903
0.00788123 -0.00774409 0.01476941
-17.39144982 0.71984684 3.26007366
-0.00091233 -0.00061581 0.00024828
0.01565412 0.01092664 0.00468655
3.53105713 -21.04771836 12.64373746
-0.00164055 0.00042079 0.00020605
-0.00464531 -0.00729631 -0.01089251
3.10463937 -19.33198078 14.80822155
-0.00073766 -0.00045030 -0.00094785
-0.00466809 0.00933691 0.00030242
9.48129280 19.11093992 1.24102372
-0.00060611 0.00043613 -0.00071756
-0.00786955 -0.02148945 0.00240468
7.98116471 21.74158726 1.29780503
0.00004434 -0.00035245 -0.00017284
0.02213739 -0.01081832 0.00253463
-10.36446931 12.95799083 16.85996751
-0.00016975 -0.00044172 0.00084302
-0.00706018 -0.00706137 -0.01069320
-12.02850098 14.27037467 14.68119428
0.00014307 0.00154702 0.00094448
0.01130255 -0.01510334 0.00676142
-5.64357543 0.01507117 -14.42785138
-0.00062901 -0.00014723 -0.00000878
0.00093411 -0.00838301 0.00891914
-6.32390275 0.38048775 -11.32221909
0.00018236 0.00002714 -0.00008434
0.00234369 0.00084608 -0.04815507
-8.50775866 8.04045037 -6.28519866
0.00008800 0.00043222 0.00012761
0.00900271 0.00987911 0.00042419
-10.29389917 6.07187414 -5.55853666
0.00143096 0.00022097 0.00013269
-0.00613313 0.00353524 0.00016159
-7.42597263 -1.81023319 18.10783839
-0.00003041 0.00023852 0.00006358
-0.00898150 -0.04395274 0.00086071
-7.72275838 -4.28398616 19.86700144
0.00064666 0.00023998 -0.00074011
0.00274194 0.01092203 -0.02268258
-24.84418223 -6.67706725 -23.20511800
0.00048321 0.00103587 0.00013653
-0.01080603 0.00616965 -0.00167960
-22.08035437 -6.05902613 -23.10111799
-0.00075150 -0.00050798 -0.00050116
0.00034506 -0.00310296 0.00041984
8.83331838 12.88045654 4.88334772
-0.00033010 0.00001393 0.00056817
0.00376742 0.01215595 -0.03678888
9.17229089 11.57467949 7.33926577
0.00056095 -0.00075176 0.00086637
-0.01695657 0.01845135 -0.00079389
22.94387403 27.68241675 -2.62410214
0.00115354 -0.00041378 0.00070496
0.00143950 -0.02962901 0.00422455
23.24582586 30.34681532 -1.93550792
-0.00005407 -0.00046254 -0.00000814
0.00005956 0.00310115 -0.00385892
10.89553641 -0.57232630 -14.54974285
0.00129740 -0.00074731 -0.00000825
-0.00899306 0.00257990 0.00093089
8.26130848 -1.80619891 -14.14518967
-0.00068921 0.00062176 -0.00070869
0.00238161 -0.00015303 -0.00527546
-9.95157816 -0.89933595 14.31156855
0.00027954 -0.00000165 -0.00059354
0.02194837 0.01098960 -0.00581918
-9.74992594 -2.41037899 12.00583172
-0.00010966 -0.00081003 -0.00096380
0.02495139 0.01724562 -0.00467650
-2.83800183 -26.39788597 12.04304333
0.00017986 0.00020678 0.00035136
0.01176945 0.00351495 -0.02500715
-3.27103931 -25.87329679 9.06222991
0.00048778 0.00011189 -0.00020788
-0.00568583 0.00210296 -0.00440743
-14.53708952 -2.93215534 -6.14857432
-0.00037671 0.00079362 -0.00071235
0.00416021 0.00789469 0.01038885
-16.34855277 -3.42577819 -8.23158535
0.00019278 0.00033977 -0.00058327
-0.00782242 0.00186490 -0.01202414
-18.61265233 -9.37648588 -18.58282583
-0.00157384 -0.00060434 -0.00035410
-0.00155597 0.01458027 0.00030690
-18.09402330 -12.15702272 -18.87184520
-0.00040751 -0.00091088 0.00040202
-0.01098303 -0.00085405 0.00173772
22.40766906 6.01130714 3.39436615
0.00018283 0.00070043 0.00029934
0.02390314 -0.01252529 -0.02035841
20.57676815 6.54222518 5.07244537
0.00009559 0.00037333 -0.00004497
-0.02711374 0.00921010 0.02562495
17.92101479 -11.17116658 -12.08209858
0.00095612 0.00051264 0.00070961
-0.04298951 0.02863259 0.05362413
18.13622784 -10.84299769 -14.94923492
0.00039753 0.00021500 -0.00007660
-0.00758366 0.01278456 -0.00801244
-2.48813967 1.47847789 -7.56246377
0.00009969 0.00003618 0.00049249
0.00580088 -0.00835675 0.00489307
-4.57552448 0.08872202 -6.10000878
-0.00021940 0.00090419 0.00002372
0.00935247 0.00010012 -0.00708991
-2.79930172 -4.51107473 -17.90766606
-0.00005737 0.00010637 -0.00055923
-0.01690039 0.02178357 -0.00051546
-3.69826073 -1.70274146 -18.51418912
0.00011939 0.00016984 -0.00049528
0.00708466 0.01196342 -0.00914377
13.56218066 17.06374288 -19.65069128
0.00002205 0.00084250 0.00024952
0.01182452 0.01283350 0.00883536
12.65260839 15.70049146 -21.79840920
0.00009926 -0.00010635 -0.00082280
-0.00001382 -0.00498053 -0.00879395
-13.55828191 17.26289206 -11.82462937
0.00019826 -0.00016371 0.00084931
-0.01374068 -0.00173652 -0.01160192
-14.61673478 15.58709594 -13.92424759
-0.00014532 0.00134040 0.00051018
-0.00237887 -0.01337568 -0.01455453
1.43411296 15.63894306 6.53674755
-0.00037058 0.00083469 -0.00012025
0.01317025 -0.01053106 0.01203550
0.21799884 15.93284937 9.05107636
-0.00134593 0.00091404 -0.00113520
0.01113202 -0.01005081 0.00546299
-6.11993222 -8.65605070 3.14075146
0.00111744 0.00060385 -0.00052038
0.02191974 -0.00062749 0.00561653
-3.41106469 -9.86632432 2.56982719
0.00040044 -0.00070177 0.00157959
-0.01863691 0.00457888 0.02370369
1.79871412 -3.44858941 3.19076732
-0.00092528 -0.00006098 -0.00069803
0.01413890 -0.03490730 -0.01654927
3.26772549 -4.85466101 0.82165129
-0.00083607 0.00133001 0.00080301
-0.03267264 -0.00747742 0.05101061
8.54961919 7.70588481 3.48862009
-0.00056064 0.00031951 0.00011598
-0.04094153 0.02490463 -0.03746822
11.27187106 7.99354206 4.41530503
0.00002010 0.00003033 -0.00079474
0.01750270 0.01010056 -0.00661897
-8.13584821 -11.65259022 -2.55476677
0.00082028 0.00050873 0.00093549
-0.01785155 0.03289332 -0.00813318
-10.14484726 -9.78267395 -1.31443919
0.00042345 -0.00078161 -0.00024640
-0.00760378 0.00372849 0.00180705
5.37252738 -15.49201012 -12.62903142
0.00010697 0.00104605 0.00005520
-0.01260663 -0.01523274 0.00052442
2.81112888 -16.93930137 -12.12018775
-0.00130965 -0.00060340 0.00055378
-0.00707641 -0.02444549 0.02214668
4.89246530 -5.16095579 -4.95254785
-0.00046968 0.00081283 -0.00004814
0.00456871 -0.01053070 0.01992675
4.66051455 -6.84779435 -2.44030545
-0.00025479 0.00075279 -0.00024837
0.02193191 -0.01256469 0.00284282
16.81059740 2.56238956 24.14756764
-0.00004710 0.00066262 -0.00034771
-0.00167817 -0.01338539 0.00091792
19.23342349 3.24743525 25.43488055
-0.00001777 -0.00011141 0.00057993
0.01794546 0.00240610 0.00680266
-9.71745079 1.19170936 1.44548171
0.00086083 -0.00074948 -0.00037573
-0.00903314 0.00367224 0.00538391
-9.75375025 4.08456447 2.31615152
-0.00004991 -0.00054686 0.00074059
-0.00198445 -0.01058874 -0.00304819
-5.34806072 14.02172624 -8.92262132
0.00133912 -0.00109088 0.00054482
-0.00955641 -0.00221311 -0.00194249
-7.95290243 12.47418103 -8.90226458
0.00055714 -0.00029437 0.00024269
0.01926154 0.00827566 -0.01416293
0.39362083 11.94323427 -6.94758113
0.00135011 -0.00091171 0.00026068
0.01073058 0.01712135 0.00651154
2.06896977 14.60517598 -6.45857121
-0.00017624 0.00047135 -0.00054766
-0.01401305 -0.03045374 -0.00013810
-10.25543303 8.38932179 -12.88826541
-0.00111133 0.00075770 0.00038323
-0.00646541 0.00738386 0.00272567
-12.11145764 10.01537720 -11.23473649
-0.00001552 -0.00040495 0.00058232
0.00629952 -0.00499570 -0.00219891
7.44230318 4.90771280 12.95408660
-0.00041978 0.00120135 -0.00016229
0.00681441 0.00077697 -0.00387885
9.80140053 3.86924954 14.39223385
-0.00040347 -0.00027214 0.00123674
-0.00229339 0.00477451 -0.01332722
-14.02972195 10.24974590 -7.67914058
-0.00028695 0.00008178 0.00140633
-0.01988430 -0.00535164 -0.00872759
-16.84657763 10.90659800 -8.00835945
-0.00036178 0.00023401 0.00019820
-0.00363368 -0.00353949 -0.00152126
8.98942591 9.58609955 -2.33877510
-0.00014909 -0.00035306 -0.00021778
0.00714465 -0.03453719 -0.00310387
7.95476658 8.17254935 -4.44762936
-0.00042534 0.00111300 -0.00085784
-0.01593063 -0.01264168 -0.02261406
14.43707942 -19.00176156 -27.52957547
0.00024054 0.00013716 -0.00018095
0.00429461 0.02644834 -0.00965342
13.51429026 -20.31602900 -25.10181667
-0.00041438 -0.00055642 -0.00045579
0.00978848 0.00209601 -0.01490698
5.47023826 5.52208571 2.14863985
-0.00004453 -0.00107692 -0.00005030
-0.00660744 -0.02496444 0.01821964
6.01575620 6.99644574 0.00308839
0.00027771 -0.00081127 -0.00033018
0.00882294 0.01169107 -0.03267193
19.52821696 -7.24064868 -6.73918504
0.00058990 0.00063768 -0.00009406
-0.01093765 0.02598632 -0.00305156
17.46502873 -5.06521530 -6.22576371
0.00058999 -0.00033830 -0.00039669
-0.00934195 0.00315866 0.01702177
-2.66091161 -0.79671533 -0.86153492
0.00020824 -0.00017800 -0.00099238
0.00875867 -0.00944952 -0.01027376
-1.99899332 -1.16085997 -3.70647778
-0.00043247 -0.00036516 0.00094775
0.00253390 -0.00301401 0.00215123
3.91891130 -3.53912723 -12.03268353
0.00026187 0.00004415 0.00001135
-0.01831051 0.02738313 -0.00612305
1.12040524 -2.68244588 -11.64794741
0.00035219 -0.00021250 -0.00044793
-0.01032169 0.00249045 0.00159599
19.51811433 8.19614963 -7.66198966
0.00028814 0.00056202 0.00028989
-0.00133147 -0.00986231 -0.02077939
20.78555951 8.60593886 -5.24791714
-0.00041218 -0.00024809 -0.00005089
0.03757353 -0.01851478 0.02813182
-7.11929054 4.16908017 9.38122263
0.00054489 -0.00163581 0.00031286
0.00145492 -0.00948895 -0.01300813
-7.85787392 6.58183200 10.77003597
0.00063193 0.00025694 -0.00038254
0.00670703 -0.00259949 -0.01224446
-2.55246640 -17.69419262 11.31962783
0.00042727 -0.00045979 0.00086393
0.00268801 -0.00581761 -0.00120636
-2.94089219 -15.08222382 10.22156198
0.00031157 -0.00049138 -0.00043916
0.00971176 -0.00469540 0.01079698
8.59684169 -0.51339809 -2.67909381
-0.00004728 -0.00038007 -0.00009854
-0.02803537 -0.00614494 -0.03475419
7.93462132 1.15703808 -5.15122112
-0.00113799 -0.00046571 -0.00023043
-0.00312781 -0.00084244 -0.00096809
0.44919296 -11.69179030 1.80009729
-0.00044792 -0.00068682 0.00004500
0.00397681 0.00278235 0.00301682
-0.96098839 -10.42914318 -0.35536063
0.00008990 -0.00061403 -0.00020245
0.00192622 0.00070909 0.00058722
-19.73370303 -1.59723565 7.05399355
-0.00005539 -0.00056000 -0.00049752
-0.00230823 0.01769035 -0.02144004
-21.02715119 0.56509370 5.35751436
0.00003445 -0.00069499 0.00083721
0.00413247 -0.01112930 0.00179664
-4.75972019 8.34306801 -25.98247294
-0.00170989 -0.00028160 -0.00101318
-0.00571408 -0.01016703 0.02407227
-5.86600953 7.18518777 -23.18497243
-0.00053634 0.00051237 -0.00146579
0.01912263 0.00154251 0.00777206
4.26195816 1.26245147 -2.72411472
-0.00028287 0.00172301 0.00052587
-0.00489675 -0.00075882 0.00439245
1.62347602 0.44572243 -1.70879460
0.00021593 -0.00028858 0.00113633
0.01582382 0.01662537 -0.00192930
14.97049457 7.40279552 5.78308783
-0.00042284 -0.00021458 -0.00009734
-0.00207309 0.00922322 -0.02744252
15.92144967 9.83549295 4.46072172
0.00020058 0.00075028 -0.00033176
-0.01812171 -0.02349991 -0.01653204
1.44600375 -11.76921864 -13.77660486
0.00010877 -0.00003411 -0.00019207
0.00123682 0.00315960 0.00282147
-13.56310491 14.52751326 22.64597705
-0.00000267 0.00016849 0.00014125
0.00201980 -0.00438210 0.00361299
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02441364
0.35054894
467.08888460
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0540697674
ExchangeOperator: pair fraction: ispin=0: 0.1262736614
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3167733076 (a.u.)
total exchange computation time: 2.5533611774 s
-154.0527764434
-931.37408535
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0540697674
ExchangeOperator: pair fraction: ispin=0: 0.1262736614
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3166675506 (a.u.)
total exchange computation time: 2.5538539886 s
-154.0541533544
Anderson extrapolation: theta=1.3739253997 (1.3739253997)
-931.37431305
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0540697674
ExchangeOperator: pair fraction: ispin=0: 0.1262736614
ExchangeOperator: bisection time: 1.156 s
total exchange = -52.3163965038 (a.u.)
total exchange computation time: 2.5549528599 s
-154.0570223096
Anderson extrapolation: theta=0.0585062592 (0.0585062592)
-931.37445278
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0540697674
ExchangeOperator: pair fraction: ispin=0: 0.1262736614
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3162788492 (a.u.)
total exchange computation time: 2.5531609058 s
-154.0580187219
Anderson extrapolation: theta=2.0868390155 (2.0000000000)
-931.37445892
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0540697674
ExchangeOperator: pair fraction: ispin=0: 0.1262736614
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3160085546 (a.u.)
total exchange computation time: 2.5529839993 s
-154.0602297903
Anderson extrapolation: theta=0.2741934710 (0.2741934710)
-931.37446600
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0540697674
ExchangeOperator: pair fraction: ispin=0: 0.1262736614
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3159239374 (a.u.)
total exchange computation time: 2.5537068844 s
-154.0608571013
Anderson extrapolation: theta=1.5164768025 (1.5164768025)
-931.37446747
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0540697674
ExchangeOperator: pair fraction: ispin=0: 0.1262736614
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3158150190 (a.u.)
total exchange computation time: 2.5536539555 s
-154.0615989097
Anderson extrapolation: theta=0.3362988718 (0.3362988718)
-931.37446889
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0540697674
ExchangeOperator: pair fraction: ispin=0: 0.1262736614
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3157998301 (a.u.)
total exchange computation time: 2.5543129444 s
-154.0616378296
Anderson extrapolation: theta=1.0957309534 (1.0957309534)
-931.37446925
-23.741188 -127.188135 -243.998905
-138.558994 458.833045 -804.018482
-162.300181 331.644910 -1048.017386
1111.157116
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0540697674
ExchangeOperator: pair fraction: ispin=0: 0.1262736614
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3158001555 (a.u.)
total exchange computation time: 2.5546669960 s
677.95081314
-1082.43624939
89.92395818
-389.85735548
-174.63983574
77.59713460
551.60419304
0.00000000
-931.37446945
-9.25453379 -5.47453467 9.56973758
-0.00003949 0.00028133 0.00013336
-0.02097978 0.01444690 -0.02026363
-13.87723219 5.11711879 9.08935807
0.00001423 -0.00012887 -0.00014691
0.00838290 0.01391045 0.00276005
-15.77967166 1.65803520 2.99952606
0.00015372 -0.00014609 -0.00016180
-0.03233042 -0.00449920 -0.01357414
2.44845311 -19.68381838 13.15017354
0.00021335 -0.00009568 0.00044630
-0.00741021 0.00698191 -0.00032731
9.46981964 20.76921388 0.56762631
0.00048516 0.00004813 -0.00008540
-0.00865610 0.04367126 -0.01152583
-11.08051188 12.72022850 15.10853876
-0.00000585 -0.00011900 0.00019251
-0.01360697 0.02609028 -0.00609085
-6.01494113 1.15917138 -13.06133109
-0.00008615 -0.00003876 0.00018349
-0.00200176 0.00486511 0.03660059
-9.10124500 6.45912991 -6.89023145
0.00024843 0.00031667 0.00010496
-0.00014698 -0.00981870 -0.00744965
-7.67579778 -3.71709900 18.06519844
0.00021965 0.00002229 0.00006420
0.00913004 0.03111271 0.01391369
-23.23048236 -7.46657951 -23.34764826
-0.00004791 -0.00031855 -0.00015007
-0.00679346 -0.00222517 -0.01016500
8.06254486 12.87261421 6.48012581
0.00045236 0.00040002 0.00000114
0.01585525 -0.03389652 0.04846326
23.42899715 29.21165902 -3.37801367
-0.00033326 -0.00042700 0.00034637
-0.00343432 0.02856292 -0.00461182
9.09863545 -0.22603207 -14.64748573
0.00034496 0.00027562 0.00009323
0.01337845 0.00182793 0.00077425
-8.86427389 -0.94601030 12.79742082
-0.00027391 -0.00011766 -0.00017689
-0.04250566 -0.03471962 0.00586745
-2.02154604 -25.95006924 10.37016894
-0.00033647 0.00002498 0.00030630
-0.00131623 -0.00842533 0.02539696
-15.11724119 -4.28954463 -7.24308769
-0.00012115 0.00024893 0.00018300
0.00181373 -0.01173642 -0.00942226
-19.41139569 -10.97257647 -18.29728958
0.00014278 0.00014065 -0.00004847
0.00781647 -0.02696019 0.00298993
21.52143700 5.08470072 4.67158759
-0.00053331 0.00019330 0.00003890
0.00823973 0.01034036 -0.00692578
18.78916731 -11.67434436 -13.48355816
0.00078335 0.00005502 0.00021766
0.05094533 -0.03416596 -0.04560380
-2.85332092 -0.12808823 -6.73221680
-0.00032436 -0.00044794 0.00026410
-0.01531853 0.01527487 -0.00157700
-4.01559758 -3.16044179 -17.49702041
0.00033608 -0.00011573 -0.00012815
0.00576016 -0.02489575 0.01194414
14.24336725 16.43834171 -21.21354567
-0.00005842 0.00001329 -0.00014479
-0.01300017 -0.00784422 0.00646721
-14.84134160 17.23452662 -13.17644996
0.00033466 0.00033753 -0.00041166
0.01334195 0.02908897 0.03797263
1.67843283 15.04023434 8.27964712
-0.00001803 -0.00007567 -0.00037816
-0.03274784 0.02016732 -0.01621831
-4.58241328 -9.33034642 3.98813582
0.00024925 0.00019662 -0.00018796
-0.00107100 -0.00532975 -0.02444943
2.11999744 -5.21840052 2.39017531
0.00004088 -0.00008273 -0.00014418
0.02256088 0.04732659 -0.02670196
9.73908459 7.04993510 4.55008042
-0.00014906 0.00008675 -0.00006345
0.02732108 -0.03117639 0.03487070
-9.15035237 -9.99043476 -2.82414896
-0.00032524 -0.00028149 -0.00002491
0.03743329 -0.04075935 0.01399235
3.55286526 -15.55983811 -12.94125260
0.00012944 -0.00012314 -0.00026313
0.00152346 0.03441521 -0.01799044
3.80251728 -5.72670396 -3.52658269
0.00008462 -0.00004476 0.00044493
-0.02628955 0.02557527 -0.02747373
18.45779503 1.84402014 24.58658312
-0.00005176 0.00021985 -0.00004006
-0.01851176 -0.00369288 -0.01214592
-8.77439220 2.75639050 1.50659506
-0.00016400 -0.00024153 0.00010364
0.00409317 0.00552528 -0.00662107
-6.40131715 12.87510462 -9.93606367
0.00053910 -0.00025713 0.00023773
-0.01868319 -0.00357216 0.01198359
1.65153474 13.15044716 -7.57886216
-0.00009081 0.00023186 0.00007706
0.00587996 0.00769905 -0.00549985
-10.79433074 10.11080942 -12.51114266
-0.00019510 -0.00013553 -0.00010085
-0.01252893 0.00578686 0.00106535
8.03102540 4.25156827 14.54636692
-0.00016207 -0.00030568 0.00000871
-0.00735337 -0.01186996 0.01482811
-15.66353497 9.52800879 -8.27624114
0.00031099 0.00030979 0.00043932
0.02296327 0.01867986 0.00904933
8.91121846 7.78682152 -2.98078257
-0.00016998 -0.00010962 -0.00001779
-0.00139112 0.04408105 0.01950104
14.15239159 -20.62398669 -26.82508446
0.00001680 -0.00020298 0.00021284
-0.00978885 -0.01752557 0.02435743
4.96360322 7.09604871 1.45185220
-0.00007269 -0.00007021 0.00036275
0.00558271 0.00280009 0.01090776
18.49082817 -5.85682868 -7.48642273
-0.00046068 0.00010815 -0.00018509
0.02735547 -0.03056488 -0.00906404
-1.82274851 -1.96370149 -2.04860926
-0.00020885 -0.00019645 -0.00016936
-0.00284533 0.01043558 0.01765379
2.77687745 -1.99409936 -12.01434572
-0.00010872 -0.00010937 -0.00005005
0.03848707 -0.03091976 -0.00094473
19.58167659 9.36937757 -6.28985959
0.00011766 -0.00009590 0.00013453
-0.02979543 0.02713573 -0.00335221
-7.42875359 5.95822604 9.06813517
-0.00027849 -0.00019638 -0.00042984
-0.00457958 0.00271397 0.02412043
-1.92114961 -16.00373827 11.49515521
0.00023443 -0.00013981 -0.00019533
-0.01585816 0.01111551 -0.01074809
7.49597258 -0.42671998 -4.33024971
0.00015232 -0.00009984 -0.00059090
0.03074816 0.00745099 0.04407558
-0.91486493 -12.02674868 0.60443494
-0.00008768 -0.00007156 0.00006508
-0.00847049 -0.00708958 -0.00205002
-19.97809214 -0.94241733 5.23019327
0.00002630 0.00051373 0.00017618
-0.00079879 -0.00448861 0.01651381
-6.16955536 7.74714854 -24.86799384
-0.00010842 0.00016939 -0.00032087
-0.02085434 0.01806695 -0.03674582
2.83663279 1.88122297 -1.73496897
-0.00037154 -0.00001054 -0.00023918
-0.02096224 -0.01804996 0.00222152
14.88526233 8.26594968 4.07232859
-0.00023370 -0.00006173 0.00008509
0.01914236 0.01304806 0.04370660
-8.28675656 -6.56579908 10.63960877
0.00038614 -0.00094019 0.00016720
0.00938071 -0.02140705 0.00205544
-10.01532596 -6.45376561 8.18580760
-0.00014007 0.00063450 -0.00005633
0.01225126 0.00495449 0.02080531
-13.32304610 6.20349172 7.70430373
0.00050101 -0.00013474 0.00010419
-0.00058075 -0.00346058 -0.00165376
-13.86463520 3.47058365 8.33784778
-0.00020763 -0.00000432 -0.00117666
0.00127935 -0.01505181 0.00294809
-15.04491219 1.81770593 4.63991124
0.00000804 0.00025855 0.00039249
0.00642700 -0.00809971 0.01139646
-17.40465505 0.71094445 3.26394148
-0.00083618 -0.00056427 0.00026601
0.02162140 0.01430456 0.00399026
3.50630653 -21.04163003 12.64649440
-0.00164526 0.00037322 0.00015509
0.00233898 -0.01599189 -0.01404984
3.09343138 -19.33844910 14.79401304
-0.00074650 -0.00040694 -0.00092165
0.00034197 0.01188755 0.01252155
9.47196004 19.11682340 1.23033396
-0.00063725 0.00033762 -0.00070452
-0.00737475 -0.02673187 0.00397846
7.98250814 21.73596900 1.29529014
0.00013598 -0.00039542 -0.00016320
0.02272372 -0.01021808 0.00218352
-10.36723186 12.95114858 16.87228512
-0.00019958 -0.00047169 0.00079462
-0.00754509 -0.00760720 -0.01299764
-12.02600853 14.29311713 14.69556873
0.00019594 0.00147238 0.00097417
0.01457787 -0.02143349 0.00777208
-5.65298190 0.01260584 -14.42770981
-0.00062554 -0.00018004 0.00002842
0.00076229 -0.00767622 0.00928956
-6.32109555 0.38092079 -11.32495978
0.00019076 0.00002890 -0.00027698
0.00177028 0.00001308 -0.04614417
-8.50616286 8.04723637 -6.28327147
0.00012447 0.00047165 0.00012824
0.00884981 0.00942226 -0.00011775
-10.27262271 6.07529697 -5.55654141
0.00139792 0.00023219 0.00014155
-0.01004233 0.00195842 0.00417518
-7.42670398 -1.80800219 18.10881847
-0.00006693 0.00005776 0.00006655
-0.00889604 -0.04453396 0.00059224
-7.71297449 -4.28005185 19.85520471
0.00065711 0.00028097 -0.00082215
0.00237442 0.00914625 -0.01747505
-24.83726526 -6.66134009 -23.20312154
0.00043953 0.00105757 0.00012926
-0.01057334 0.00445256 -0.00187761
-22.09161625 -6.06674086 -23.10862248
-0.00074053 -0.00051440 -0.00049870
0.00502399 -0.00004099 0.00078134
8.82848230 12.88103799 4.89074300
-0.00030779 0.00006259 0.00040506
0.00715593 0.01166291 -0.04305556
9.18018559 11.56396849 7.35223693
0.00048536 -0.00066703 0.00085578
-0.02004652 0.02302700 -0.00438617
22.96122130 27.67530213 -2.61339828
0.00115882 -0.00053837 0.00072385
0.00114303 -0.03135731 0.00502442
23.24501663 30.33997229 -1.93574824
-0.00005439 -0.00044708 -0.00002050
-0.00021441 0.00446429 -0.00219469
10.91472183 -0.58345688 -14.54983811
0.00124388 -0.00073419 -0.00000495
-0.01720598 0.00384233 0.00068471
8.25104326 -1.79687727 -14.15598164
-0.00067791 0.00062025 -0.00072956
0.00314907 -0.00058613 -0.00494196
-9.94671248 -0.89902395 14.30248709
0.00036306 0.00004244 -0.00061056
0.01893450 0.01059397 -0.00251142
-9.75080626 -2.42200098 11.99123135
-0.00000429 -0.00073217 -0.00097739
0.02662959 0.02086726 -0.00197231
-2.83494326 -26.39467655 12.04754746
0.00022484 0.00022029 0.00025077
0.01024899 0.00309943 -0.02423519
-3.26389679 -25.87155406 9.05897662
0.00046130 0.00012035 -0.00022666
-0.00727611 0.00203975 -0.00478337
-14.54261275 -2.92000915 -6.15894125
-0.00035802 0.00082767 -0.00066718
0.00498966 0.00877599 0.01172418
-16.34590082 -3.42062443 -8.24070280
0.00016359 0.00034456 -0.00063048
-0.00646675 0.00047732 -0.01108678
-18.63630759 -9.38510419 -18.58812789
-0.00156838 -0.00052622 -0.00035718
0.00422765 0.02365889 -0.00181465
-18.10047251 -12.17071203 -18.86576168
-0.00045227 -0.00091005 0.00040906
-0.01092756 0.00125662 0.00170781
22.41114390 6.02142972 3.39823234
0.00027686 0.00064476 0.00022133
0.02212664 -0.01472303 -0.01782765
20.57737118 6.54810735 5.07255607
-0.00001736 0.00041309 0.00006064
-0.02817628 0.01025521 0.02606972
17.93403928 -11.16259963 -12.06981127
0.00078667 0.00062604 0.00091807
-0.03995975 0.02687990 0.04842169
18.14195840 -10.83938094 -14.95062950
0.00036904 0.00026358 -0.00010241
-0.00636453 0.01099804 -0.00462005
-2.48646651 1.47876444 -7.55492655
0.00012341 -0.00000332 0.00051451
0.00580651 -0.01097442 0.00588862
-4.57852886 0.10228798 -6.09987018
-0.00018222 0.00090275 -0.00000409
0.00884623 -0.00080425 -0.00652595
-2.80068012 -4.50881167 -17.91607031
-0.00012314 0.00019138 -0.00056221
-0.01529693 0.01982763 -0.00094268
-3.69625275 -1.69982725 -18.52189858
0.00014666 0.00021354 -0.00052869
0.00626143 0.00942558 -0.00720835
13.56287371 17.07677371 -19.64667773
0.00007216 0.00088989 0.00027562
0.01270696 0.01036376 0.00393793
12.65409685 15.69874361 -21.81102063
0.00010039 -0.00012481 -0.00085556
0.00056975 -0.00405507 -0.00724525
-13.55572904 17.26038316 -11.81224517
0.00013514 -0.00017025 0.00079363
-0.01715814 -0.00146342 -0.01565631
-14.61898749 15.60679204 -13.91704092
-0.00015270 0.00126676 0.00044191
-0.00123448 -0.02267316 -0.01886380
1.42895781 15.65114073 6.53531260
-0.00031452 0.00078977 -0.00007197
0.01427082 -0.01145803 0.01159733
0.19815107 15.94625197 9.03421583
-0.00128920 0.00086527 -0.00111524
0.01663575 -0.01382200 0.00430347
-6.10249886 -8.64701215 3.13311781
0.00120199 0.00060309 -0.00050031
0.01946795 0.00025464 0.00421037
-3.40562922 -9.87671060 2.59424739
0.00033032 -0.00068480 0.00166647
-0.01568819 0.00372855 0.01882253
1.78526819 -3.45057378 3.17978972
-0.00086778 -0.00020437 -0.00076366
0.01400672 -0.03528533 -0.01557375
3.25418318 -4.83493994 0.83525959
-0.00096307 0.00129766 0.00100217
-0.02949404 -0.00836025 0.04647659
8.53995500 7.71144063 3.48921169
-0.00072271 0.00041813 -0.00003181
-0.03839208 0.02336897 -0.03487881
11.27270883 7.99430647 4.40318113
0.00008888 0.00006986 -0.00082134
0.01616979 0.00925273 -0.00640084
-8.12409110 -11.64395133 -2.54098359
0.00074667 0.00064211 0.00089963
-0.01817658 0.03239690 -0.00942003
-10.13872856 -9.79428383 -1.31807981
0.00038604 -0.00076398 -0.00023061
-0.01070686 0.00490041 0.00592256
5.37374569 -15.47678622 -12.62818741
0.00005419 0.00098112 0.00005830
-0.01323321 -0.01654619 0.00099321
2.79126733 -16.94910152 -12.11120239
-0.00132530 -0.00068255 0.00063296
-0.00058342 -0.01429832 0.01661133
4.88556010 -5.14908609 -4.95265933
-0.00045232 0.00076794 0.00003660
0.00392838 -0.01144171 0.02155362
4.65736474 -6.83688750 -2.44394394
-0.00015515 0.00068949 -0.00022510
0.02684143 -0.01842147 0.00855210
16.80983951 2.57191862 24.14238015
-0.00005111 0.00060672 -0.00034294
-0.00028442 -0.01397678 0.00141599
19.23370686 3.24583776 25.44378796
0.00005478 -0.00010204 0.00060700
0.01756672 0.00218356 0.00644673
-9.70481519 1.18057972 1.44001079
0.00082232 -0.00073447 -0.00035293
-0.00981471 0.00367391 0.00577623
-9.75455973 4.07603713 2.32716703
-0.00005891 -0.00059092 0.00072810
-0.00242086 -0.01097936 -0.00306931
-5.32826673 14.00529526 -8.91450853
0.00129792 -0.00109998 0.00053607
-0.01061145 -0.00224182 -0.00234228
-7.94395503 12.47001913 -8.89905819
0.00063542 -0.00026053 0.00018550
0.01905693 0.00828747 -0.01383228
0.41420134 11.93008330 -6.94347143
0.00139154 -0.00084216 0.00028896
0.00955031 0.01692375 0.00733211
2.06589675 14.61131298 -6.46679032
-0.00023287 0.00034820 -0.00054537
-0.01370637 -0.02982669 0.00125966
-10.27230112 8.40091358 -12.88243336
-0.00113098 0.00077050 0.00038965
-0.00315364 -0.00111857 0.00041322
-12.11149746 10.00914992 -11.22606900
0.00001356 -0.00042330 0.00056996
0.00793929 -0.00399082 -0.00385195
7.43621529 4.92575691 12.95153343
-0.00038578 0.00119917 -0.00016761
0.00983102 -0.00184494 0.00127269
9.79527823 3.86531378 14.41037653
-0.00040770 -0.00025298 0.00117995
0.00022337 0.00460414 -0.01447086
-14.03463544 10.25080859 -7.65831308
-0.00036438 0.00006250 0.00137074
-0.01801961 -0.00408380 -0.00869311
-16.85211571 10.90999964 -8.00543302
-0.00037271 0.00021606 0.00019134
-0.00171774 -0.00524453 -0.00183895
8.98740848 9.57974527 -2.34213697
-0.00011926 -0.00049014 -0.00022760
0.00745748 -0.03256295 -0.00170321
7.94789834 8.18885694 -4.46118991
-0.00048033 0.00105617 -0.00093480
-0.01098753 -0.01517399 -0.01505973
14.44081911 -18.99889371 -27.53258552
0.00025617 0.00023640 -0.00021597
0.00335481 0.02213204 -0.00748852
13.50837448 -20.32431105 -25.10911032
-0.00037685 -0.00054587 -0.00050980
0.00858417 0.00306527 -0.01153239
5.46936777 5.50516699 2.14844360
-0.00007506 -0.00116776 0.00001967
-0.00833628 -0.01950344 0.01603057
6.02019221 6.98463494 -0.00286550
0.00030533 -0.00076196 -0.00045178
0.00469971 0.01244799 -0.02685368
19.53673029 -7.23028711 -6.74068948
0.00054405 0.00074521 -0.00010776
-0.01150453 0.02664857 -0.00365413
17.47359235 -5.07019300 -6.23119245
0.00054295 -0.00031810 -0.00031695
-0.01368708 0.00672895 0.02201034
-2.65751962 -0.79967491 -0.87673547
0.00023937 -0.00021134 -0.00102597
0.00648067 -0.00687205 -0.00616680
-2.00540265 -1.16642975 -3.69219567
-0.00042261 -0.00037252 0.00094173
0.00229240 -0.00059008 -0.00509718
3.92227823 -3.53762590 -12.03270098
0.00018658 0.00015615 -0.00001365
-0.01854229 0.02744422 -0.00611392
1.12537177 -2.68555709 -11.65461741
0.00030420 -0.00020501 -0.00043966
-0.01317021 0.00117773 0.00245317
19.52239563 8.20427779 -7.65827802
0.00028215 0.00051665 0.00019826
-0.00159919 -0.01234930 -0.02407489
20.78052822 8.60165014 -5.24781848
-0.00025550 -0.00032624 0.00006810
0.03912123 -0.01973861 0.03011700
-7.11107257 4.14425227 9.38551694
0.00054696 -0.00165285 0.00025586
-0.00044085 0.00114782 -0.01489648
-7.84818947 6.58560641 10.76392264
0.00065870 0.00024608 -0.00043266
0.00639888 -0.00271721 -0.01228899
-2.54597504 -17.70126769 11.33254975
0.00043864 -0.00048055 0.00085854
0.00287756 -0.00434634 -0.00143151
-2.93592105 -15.08973834 10.21530546
0.00035024 -0.00051075 -0.00039562
0.00921608 -0.00478730 0.01051577
8.59527342 -0.51928751 -2.68163683
-0.00016217 -0.00040394 -0.00024278
-0.02820570 -0.00553497 -0.03585260
7.91745558 1.15002667 -5.15470717
-0.00114694 -0.00045882 -0.00023886
-0.00124947 0.00421512 -0.00316043
0.44259602 -11.70200730 1.80086476
-0.00042776 -0.00067368 0.00006006
0.00589134 0.00364697 0.00435450
-0.95958087 -10.43833188 -0.35837940
0.00009772 -0.00060790 -0.00020108
0.00190043 0.00228835 0.00008369
-19.73460463 -1.60509362 7.04587377
-0.00006407 -0.00048769 -0.00058266
-0.00193915 0.01770798 -0.02023854
-21.02650783 0.55432783 5.37012755
0.00004327 -0.00072830 0.00084544
0.00018728 -0.00517598 0.00223397
-4.78554361 8.33853248 -25.99693300
-0.00172298 -0.00032001 -0.00091950
-0.00069314 -0.00863470 0.02178298
-5.87346872 7.19292065 -23.20672116
-0.00045308 0.00051150 -0.00141360
0.02163351 -0.00197018 0.01777804
4.25756504 1.28827330 -2.71609201
-0.00029365 0.00171345 0.00053629
-0.00038147 -0.00391976 0.00070593
1.62719982 0.44190321 -1.69180875
0.00028083 -0.00022245 0.00112631
0.01594576 0.01574414 -0.00297820
14.96408846 7.39985949 5.78078675
-0.00043045 -0.00017649 -0.00020732
-0.00165196 0.00942204 -0.02639339
15.92390308 9.84602711 4.45523874
0.00012188 0.00064680 -0.00039920
-0.02040287 -0.02715532 -0.01648121
1.44763858 -11.76972181 -13.77947827
0.00010921 -0.00003296 -0.00019106
0.00124425 0.00325096 0.00277932
-13.56314148 14.53003295 22.64810208
-0.00000220 0.00016748 0.00014206
0.00201419 -0.00430924 0.00338374
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02449717
0.34997228
466.32052166
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0540697674
ExchangeOperator: pair fraction: ispin=0: 0.1262736614
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3238308323 (a.u.)
total exchange computation time: 2.5529510975 s
-154.0793706754
-931.37211796
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0540697674
ExchangeOperator: pair fraction: ispin=0: 0.1262736614
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3237056620 (a.u.)
total exchange computation time: 2.5542540550 s
-154.0810634199
Anderson extrapolation: theta=1.3539652989 (1.3539652989)
-931.37234027
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0540697674
ExchangeOperator: pair fraction: ispin=0: 0.1262736614
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3234357174 (a.u.)
total exchange computation time: 2.5542609692 s
-154.0842344760
Anderson extrapolation: theta=0.0510740490 (0.0510740490)
-931.37247270
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0540697674
ExchangeOperator: pair fraction: ispin=0: 0.1262736614
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3233414361 (a.u.)
total exchange computation time: 2.5530998707 s
-154.0851376851
Anderson extrapolation: theta=1.9019076294 (1.9019076294)
-931.37247735
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0540697674
ExchangeOperator: pair fraction: ispin=0: 0.1262736614
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3231367560 (a.u.)
total exchange computation time: 2.5530710220 s
-154.0870447837
Anderson extrapolation: theta=0.2108800097 (0.2108800097)
-931.37248185
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0540697674
ExchangeOperator: pair fraction: ispin=0: 0.1262736614
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3230856855 (a.u.)
total exchange computation time: 2.5532128811 s
-154.0874842046
Anderson extrapolation: theta=1.8804340346 (1.8804340346)
-931.37248258
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0540697674
ExchangeOperator: pair fraction: ispin=0: 0.1262736614
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3230078343 (a.u.)
total exchange computation time: 2.5530250072 s
-154.0881237735
Anderson extrapolation: theta=0.2820299511 (0.2820299511)
-931.37248334
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0540697674
ExchangeOperator: pair fraction: ispin=0: 0.1262736614
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3230043457 (a.u.)
total exchange computation time: 2.5538499355 s
-154.0881215103
Anderson extrapolation: theta=1.3441177990 (1.3441177990)
-931.37248348
-23.735648 -127.203169 -243.979704
-138.571883 458.827428 -804.031830
-162.307532 331.624259 -1048.011533
1111.146506
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0540697674
ExchangeOperator: pair fraction: ispin=0: 0.1262736614
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3230129866 (a.u.)
total exchange computation time: 2.5554580688 s
678.07463003
-1082.67876687
89.90627421
-389.69249051
-174.65911738
77.72901022
551.60419304
0.00000000
-931.37248350
-9.25520702 -5.47025894 9.57165976
-0.00004905 0.00028750 0.00012427
-0.01621166 0.00951310 -0.01505305
-13.87698638 5.11523933 9.08716503
0.00001857 -0.00012239 -0.00014583
0.00847269 0.01128946 0.00143295
-15.77749057 1.65582653 2.99704671
0.00013619 -0.00014902 -0.00016764
-0.03585352 -0.00689755 -0.00911735
2.45162476 -19.68522665 13.15686680
0.00020642 -0.00009050 0.00044361
-0.01952258 0.01314250 -0.01013744
9.47706367 20.77010429 0.56630079
0.00048055 0.00007140 -0.00009161
-0.00926104 0.04680360 -0.01258922
-11.08065213 12.71854419 15.11140287
-0.00001343 -0.00010407 0.00018963
-0.01586363 0.03195118 -0.00511629
-6.01624112 1.15860881 -13.05843762
-0.00008696 -0.00003617 0.00020148
-0.00113332 0.00519797 0.03339185
-9.09751910 6.46384208 -6.88868585
0.00024933 0.00031221 0.00010027
0.00362815 -0.00752654 -0.01077170
-7.67246775 -3.71664471 18.06621505
0.00022435 0.00003866 0.00006988
0.00914342 0.03256593 0.00820300
-23.23122721 -7.47136629 -23.34993845
-0.00005269 -0.00031996 -0.00015536
-0.01181157 -0.00326680 -0.01043070
8.06939136 12.87848371 6.48032990
0.00046049 0.00038175 0.00002812
0.01579216 -0.03715495 0.05645370
23.42398507 29.20536417 -3.37283588
-0.00033495 -0.00041255 0.00034346
-0.00316693 0.02762915 -0.00671908
9.10386140 -0.22189072 -14.64608436
0.00035351 0.00027635 0.00009360
0.01987250 0.00101879 0.00066632
-8.86854656 -0.94790905 12.79479017
-0.00029517 -0.00013616 -0.00017550
-0.04016780 -0.03722788 -0.00047827
-2.02659819 -25.94972703 10.37486134
-0.00033638 0.00002082 0.00031890
0.00165594 -0.00773759 0.02360022
-15.11905142 -4.28585587 -7.24037909
-0.00012083 0.00024309 0.00017753
-0.00058477 -0.01098815 -0.01184104
-19.40922391 -10.97057066 -18.29800503
0.00014533 0.00012396 -0.00004636
0.00213380 -0.03794056 0.00521475
21.51346914 5.08764008 4.67214435
-0.00052843 0.00019911 0.00003462
0.01074814 0.01227002 -0.00971838
18.80111413 -11.67365089 -13.48046910
0.00080798 0.00003860 0.00019525
0.04480523 -0.02967935 -0.04157587
-2.85824547 -0.13474841 -6.72826146
-0.00033206 -0.00043926 0.00026287
-0.01462199 0.01846901 -0.00319317
-4.01053416 -3.16227375 -17.49889654
0.00033873 -0.00012710 -0.00012241
0.00455193 -0.01933321 0.01037279
14.24244080 16.43851079 -21.21569250
-0.00006543 0.00000963 -0.00014060
-0.01425871 -0.00637740 0.00982263
-14.83627023 17.23970183 -13.18247842
0.00034188 0.00035473 -0.00039020
0.01473961 0.03778838 0.04546935
1.67803607 15.03917715 8.27391212
-0.00003636 -0.00006422 -0.00038599
-0.03853415 0.02433587 -0.01423242
-4.57867870 -9.32741775 3.98522213
0.00024849 0.00019394 -0.00019877
-0.00188309 -0.00508220 -0.01761119
2.12069765 -5.21945891 2.38790961
0.00005149 -0.00005836 -0.00015678
0.01870354 0.04745277 -0.02228667
9.73695411 7.05111611 4.54926315
-0.00013565 0.00007166 -0.00004665
0.02483301 -0.02751195 0.03045693
-9.15508658 -9.99481436 -2.82446859
-0.00030528 -0.00030245 -0.00001835
0.04017765 -0.04074759 0.01151034
3.55481280 -15.56155249 -12.94526892
0.00012861 -0.00010773 -0.00027106
-0.00477833 0.02552797 -0.01283733
3.80368512 -5.72727677 -3.52001472
0.00007007 -0.00003002 0.00042914
-0.03026742 0.03175511 -0.03392217
18.45694720 1.84730358 24.58593541
-0.00006143 0.00021817 -0.00004629
-0.01909052 -0.00284274 -0.01209713
-8.77683647 2.75278891 1.50812413
-0.00016159 -0.00023863 0.00010014
0.00529022 0.00575443 -0.00700027
-6.39330267 12.87123387 -9.93245146
0.00052977 -0.00025890 0.00024375
-0.01760713 -0.00330053 0.01139851
1.65019519 13.15395476 -7.57772744
-0.00008760 0.00023562 0.00007359
0.00660701 0.00693535 -0.00799207
-10.79730550 10.10879875 -12.51265128
-0.00020277 -0.00013048 -0.00009924
-0.01733104 0.01386367 0.00519554
8.02856596 4.24693722 14.54655477
-0.00016724 -0.00031109 0.00001533
-0.01273481 -0.00913939 0.01090977
-15.65878158 9.53272773 -8.26961648
0.00032173 0.00031948 0.00044391
0.01880320 0.01897241 0.00882641
8.90866339 7.78534732 -2.98097415
-0.00017207 -0.00008707 -0.00001006
-0.00671762 0.04361006 0.01053888
14.15260590 -20.62709895 -26.82179789
0.00001241 -0.00021093 0.00022369
-0.00729370 -0.01339328 0.01781423
4.96253440 7.09500633 1.45733547
-0.00006825 -0.00007047 0.00036738
0.01168576 -0.00380707 0.00710270
18.48402349 -5.85532427 -7.48923397
-0.00044542 0.00009157 -0.00019077
0.03199994 -0.03392653 -0.01303892
-1.82589222 -1.96660802 -2.05108156
-0.00020959 -0.00019257 -0.00015943
-0.00002881 0.00464714 0.02096688
2.77539513 -1.99585925 -12.01510019
-0.00008836 -0.00012484 -0.00005064
0.04066512 -0.02921712 -0.00133112
19.58332650 9.36804375 -6.28785452
0.00010229 -0.00008137 0.00013326
-0.02995463 0.02935157 -0.00161384
-7.43294857 5.95529088 9.06178064
-0.00028027 -0.00019744 -0.00041721
-0.00236252 -0.00685411 0.02499840
-1.91769435 -16.00579247 11.49218382
0.00022641 -0.00013454 -0.00020063
-0.01533078 0.00935156 -0.00987391
7.49837605 -0.42818881 -4.33894313
0.00016764 -0.00009738 -0.00056749
0.02880367 0.00211899 0.04694544
-0.91621277 -12.02784938 0.60540317
-0.00009248 -0.00007583 0.00006390
-0.01021773 -0.00953786 -0.00252292
-19.97770077 -0.93472874 5.23289971
0.00002686 0.00050994 0.00018407
0.00299977 -0.01023829 0.01414925
-6.17126203 7.74975914 -24.87294865
-0.00012102 0.00017910 -0.00034141
-0.02815152 0.01968977 -0.04312046
2.83097887 1.88099524 -1.73854813
-0.00038349 -0.00001867 -0.00023688
-0.02551122 -0.01356680 0.00673193
14.88183062 8.26507414 4.07377359
-0.00022353 -0.00005420 0.00010707
0.02041442 0.01622835 0.04175708
-8.28067699 -6.58055786 10.64217981
0.00041607 -0.00101733 0.00016647
0.00526803 -0.01635382 -0.00241255
-10.01705152 -6.44409632 8.18560022
-0.00009096 0.00065423 0.00002754
0.01178464 0.00470300 0.02024637
-13.31554881 6.20136459 7.70581590
0.00049871 -0.00014762 0.00009710
-0.00054368 -0.00284360 -0.00181837
-13.86771039 3.47005769 8.32028820
-0.00020251 -0.00006118 -0.00116117
0.00122413 -0.01278528 0.00463727
-15.04459472 1.82133591 4.64614775
0.00003105 0.00022465 0.00043129
0.00483662 -0.00849000 0.00759972
-17.41653519 0.70291874 3.26805385
-0.00073756 -0.00050005 0.00028102
0.02665535 0.01712999 0.00335694
3.48169928 -21.03652177 12.64839028
-0.00162174 0.00028986 0.00009116
0.00917444 -0.02481214 -0.01724729
3.08224435 -19.34418887 14.78057193
-0.00073439 -0.00035306 -0.00084424
0.00558840 0.01448588 0.02537462
9.46217532 19.12106858 1.21988802
-0.00066648 0.00021988 -0.00068600
-0.00693451 -0.03090513 0.00508901
7.98524422 21.72972451 1.29290907
0.00022922 -0.00043544 -0.00015474
0.02291522 -0.00936733 0.00195536
-10.37045682 12.94384010 16.88380615
-0.00023117 -0.00050371 0.00073731
-0.00791465 -0.00806645 -0.01505629
-12.02262266 14.31454602 14.71041950
0.00026093 0.00137362 0.00100731
0.01723083 -0.02691053 0.00844650
-5.66234165 0.00967006 -14.42699892
-0.00062281 -0.00020970 0.00006712
0.00057351 -0.00684646 0.00965721
-6.31817986 0.38135464 -11.33052847
0.00019654 0.00002659 -0.00045936
0.00105588 -0.00114075 -0.04313019
-8.50402469 8.05459982 -6.28135150
0.00015999 0.00050841 0.00012640
0.00853915 0.00857211 -0.00078131
-10.25196170 6.07883983 -5.55429028
0.00134927 0.00023705 0.00016670
-0.01376771 0.00041902 0.00813597
-7.42798053 -1.80850050 18.10983485
-0.00010284 -0.00012325 0.00006841
-0.00868137 -0.04406848 0.00031984
-7.70304508 -4.27555700 19.84233700
0.00066607 0.00031414 -0.00088140
0.00201064 0.00709018 -0.01152885
-24.83099630 -6.64534006 -23.20124016
0.00039763 0.00107180 0.00012111
-0.00993534 0.00251199 -0.00211091
-22.10257024 -6.07445809 -23.11607908
-0.00071048 -0.00050821 -0.00049484
0.00968552 0.00306874 0.00111110
8.82408479 12.88233421 4.89549957
-0.00027308 0.00010906 0.00021929
0.00983281 0.01108524 -0.04788260
9.18685171 11.55466873 7.36493927
0.00039859 -0.00056512 0.00083134
-0.02242624 0.02685809 -0.00757842
22.97863862 27.66626573 -2.60238649
0.00116367 -0.00066751 0.00074494
0.00122975 -0.03185862 0.00529584
23.24419426 30.33340287 -1.93612306
-0.00005587 -0.00042608 -0.00002587
-0.00051345 0.00581606 -0.00043294
10.93285277 -0.59435198 -14.54989140
0.00115874 -0.00071605 -0.00000256
-0.02447159 0.00503739 0.00048664
8.24097104 -1.78759155 -14.16707649
-0.00066350 0.00061702 -0.00074908
0.00390824 -0.00099132 -0.00461394
-9.94068638 -0.89806269 14.29325172
0.00043344 0.00008483 -0.00061309
0.01551627 0.01015551 0.00127508
-9.75005455 -2.43234410 11.97651010
0.00010684 -0.00064095 -0.00098046
0.02776679 0.02378638 0.00046774
-2.83125656 -26.39127719 12.05056631
0.00026307 0.00023184 0.00015451
0.00846377 0.00255284 -0.02288312
-3.25720019 -25.86968633 9.05543018
0.00042896 0.00012852 -0.00024642
-0.00855518 0.00195768 -0.00488863
-14.54783018 -2.90732511 -6.16858965
-0.00033638 0.00086449 -0.00061730
0.00560201 0.00924525 0.01269365
-16.34364518 -3.41544142 -8.25049972
0.00014060 0.00034326 -0.00067318
-0.00478390 -0.00111312 -0.00981799
-18.65970376 -9.39227253 -18.59354116
-0.00153985 -0.00041146 -0.00036908
0.00973616 0.03251542 -0.00401164
-18.10759143 -12.18432433 -18.85957350
-0.00049636 -0.00090079 0.00041575
-0.01065235 0.00327601 0.00156993
22.41597480 6.03064999 3.40100594
0.00036275 0.00058001 0.00015446
0.01991603 -0.01697187 -0.01490637
20.57624739 6.55461802 5.07426448
-0.00013308 0.00045544 0.00016713
-0.02847224 0.01047538 0.02606038
17.94461478 -11.15238530 -12.05455639
0.00063248 0.00073037 0.00110026
-0.03551749 0.02418691 0.04076017
18.14729891 -10.83509017 -14.95230722
0.00034575 0.00030463 -0.00011404
-0.00503449 0.00909553 -0.00107229
-2.48443749 1.47837841 -7.54702845
0.00014725 -0.00005279 0.00054020
0.00586427 -0.01324231 0.00668592
-4.58099109 0.11580464 -6.10013153
-0.00014764 0.00089773 -0.00002943
0.00807956 -0.00165742 -0.00587921
-2.80299602 -4.50533346 -17.92453234
-0.00018134 0.00026714 -0.00056727
-0.01319034 0.01726099 -0.00153669
-3.69386103 -1.69633538 -18.53004982
0.00017035 0.00024624 -0.00055363
0.00533702 0.00658147 -0.00499994
13.56434552 17.09043969 -19.64242283
0.00012569 0.00092708 0.00028180
0.01349373 0.00784113 -0.00090925
12.65562023 15.69674725 -21.82407610
0.00010403 -0.00013933 -0.00088180
0.00121030 -0.00305202 -0.00559722
-13.55422773 17.25778457 -11.80082049
0.00005938 -0.00017559 0.00072259
-0.01992651 -0.00115215 -0.01911771
-14.62131587 15.62509859 -13.91099034
-0.00015557 0.00115579 0.00035649
-0.00016801 -0.03164597 -0.02295120
1.42467727 15.66263618 6.53458841
-0.00025426 0.00074149 -0.00002629
0.01522603 -0.01217511 0.01076251
0.17932284 15.95880747 9.01761904
-0.00121132 0.00080190 -0.00109930
0.02148660 -0.01719598 0.00349883
-6.08387238 -8.63795799 3.12574219
0.00127571 0.00060633 -0.00048649
0.01661530 0.00133095 0.00255585
-3.40115522 -9.88686838 2.61982115
0.00027343 -0.00067194 0.00173233
-0.01215730 0.00256500 0.01342106
1.77268068 -3.45472066 3.16785766
-0.00081127 -0.00034800 -0.00082459
0.01365809 -0.03501885 -0.01425349
3.23883330 -4.81573124 0.85171627
-0.00107528 0.00126238 0.00118033
-0.02543351 -0.00891031 0.04073609
8.52793790 7.71842864 3.48766569
-0.00087060 0.00050840 -0.00016583
-0.03400038 0.02081976 -0.03072204
11.27453758 7.99563794 4.39066494
0.00015113 0.00010532 -0.00084692
0.01429839 0.00810504 -0.00612296
-8.11344796 -11.63332695 -2.52777774
0.00067246 0.00077235 0.00085881
-0.01815141 0.03135485 -0.01056577
-10.13326604 -9.80559339 -1.32135746
0.00033631 -0.00074174 -0.00019845
-0.01363777 0.00598627 0.00981942
5.37415299 -15.46257637 -12.62728252
-0.00000037 0.00091113 0.00006333
-0.01347350 -0.01771550 0.00146863
2.77137003 -16.95977796 -12.10119899
-0.00131441 -0.00072060 0.00068949
0.00591276 -0.00432527 0.01106107
4.87889566 -5.13791761 -4.95144988
-0.00043719 0.00071968 0.00012715
0.00348059 -0.01218147 0.02277120
4.65585995 -6.82710963 -2.44705831
-0.00003635 0.00060345 -0.00017948
0.03131362 -0.02369754 0.01377508
16.80906420 2.58059110 24.13727944
-0.00004975 0.00054870 -0.00033616
0.00094911 -0.01442113 0.00190233
19.23506682 3.24437409 25.45309046
0.00012523 -0.00009422 0.00063209
0.01692032 0.00164526 0.00583851
-9.69278109 1.16967523 1.43489387
0.00078089 -0.00071928 -0.00032860
-0.01046653 0.00376406 0.00613250
-9.75551758 4.06683691 2.33799444
-0.00006984 -0.00063617 0.00071571
-0.00293142 -0.01116976 -0.00299613
-5.30912307 13.98872688 -8.90653930
0.00125271 -0.00110898 0.00052585
-0.01151817 -0.00216338 -0.00265983
-7.93383970 12.46636513 -8.89669954
0.00071179 -0.00022707 0.00013033
0.01832611 0.00809361 -0.01317376
0.43536716 11.91796953 -6.93891238
0.00142789 -0.00077390 0.00032060
0.00824206 0.01648803 0.00815687
2.06198372 14.61562201 -6.47493224
-0.00028778 0.00022883 -0.00053675
-0.01317118 -0.02860851 0.00295811
-10.28936248 8.41243681 -12.87657599
-0.00113690 0.00074744 0.00038635
0.00025872 -0.01016755 -0.00202513
-12.11105070 10.00267806 -11.21763759
0.00004887 -0.00043750 0.00055124
0.00934179 -0.00295873 -0.00531555
7.43072991 4.94368795 12.94905826
-0.00033983 0.00118627 -0.00015240
0.01266008 -0.00446926 0.00617445
9.78916962 3.86166020 14.42763234
-0.00040165 -0.00023451 0.00111879
0.00273478 0.00443403 -0.01546727
-14.04065329 10.25162100 -7.63801834
-0.00043320 0.00004883 0.00133572
-0.01566973 -0.00260863 -0.00844907
-16.85775907 10.91307987 -8.00261929
-0.00037593 0.00019135 0.00018323
0.00014415 -0.00685354 -0.00212883
8.98584808 9.57139533 -2.34560322
-0.00008817 -0.00061739 -0.00023127
0.00776166 -0.02972492 -0.00009152
7.94035671 8.20423458 -4.47567342
-0.00051521 0.00098893 -0.00098081
-0.00608660 -0.01774080 -0.00746040
14.44476440 -18.99466946 -27.53605452
0.00026765 0.00031660 -0.00024151
0.00226497 0.01712547 -0.00501405
13.50298479 -20.33240523 -25.11711076
-0.00034472 -0.00053126 -0.00054898
0.00714241 0.00408977 -0.00764521
5.46798638 5.48705297 2.14922981
-0.00011262 -0.00123543 0.00008018
-0.01005036 -0.01362136 0.01359296
6.02491625 6.97358703 -0.01046514
0.00031564 -0.00070965 -0.00054859
0.00034335 0.01315742 -0.02053175
19.54453856 -7.21829235 -6.74241787
0.00049675 0.00085420 -0.00012340
-0.01164894 0.02670153 -0.00400090
17.48131713 -5.07475832 -6.23527226
0.00047924 -0.00028408 -0.00021795
-0.01749593 0.00992466 0.02645080
-2.65373046 -0.80305564 -0.89231396
0.00026066 -0.00023332 -0.00104200
0.00394123 -0.00388395 -0.00168186
-2.01167150 -1.17203569 -3.67822595
-0.00041384 -0.00036971 0.00090557
0.00199903 0.00196629 -0.01260090
3.92450877 -3.53444263 -12.03309313
0.00011126 0.00026712 -0.00003862
-0.01832913 0.02687261 -0.00610899
1.12953115 -2.68859612 -11.66113706
0.00024536 -0.00020261 -0.00042812
-0.01563103 -0.00000148 0.00319189
19.52657893 8.21164911 -7.65604185
0.00027530 0.00046223 0.00009464
-0.00175673 -0.01428829 -0.02664753
20.77789452 8.59615171 -5.24587406
-0.00009552 -0.00040765 0.00019245
0.03918938 -0.02011465 0.03075188
-7.10288162 4.11949471 9.38889830
0.00054147 -0.00162861 0.00019147
-0.00224963 0.01071856 -0.01662016
-7.83811286 6.58921430 10.75705616
0.00068406 0.00023495 -0.00048218
0.00601527 -0.00273070 -0.01195261
-2.53930733 -17.70860912 11.34538395
0.00045088 -0.00049491 0.00085222
0.00311709 -0.00268332 -0.00166020
-2.93038509 -15.09754626 10.20969341
0.00038636 -0.00053004 -0.00035387
0.00846527 -0.00465754 0.00991890
8.59197653 -0.52551615 -2.68637711
-0.00027676 -0.00042520 -0.00039013
-0.02788720 -0.00487193 -0.03627797
7.90021326 1.14327359 -5.15838691
-0.00114839 -0.00043122 -0.00025620
0.00053907 0.00929131 -0.00532818
0.43636014 -11.71200079 1.80189910
-0.00040014 -0.00065716 0.00008032
0.00762940 0.00444263 0.00556085
-0.95805689 -10.44738033 -0.36139304
0.00010541 -0.00059541 -0.00020174
0.00186504 0.00382817 -0.00040838
-19.73562507 -1.61186635 7.03651366
-0.00007109 -0.00041580 -0.00066213
-0.00149660 0.01748187 -0.01866286
-21.02585300 0.54324474 5.38287765
0.00003537 -0.00073664 0.00085562
-0.00405451 0.00109325 0.00274885
-4.81140950 8.33346777 -26.01005806
-0.00171481 -0.00035175 -0.00083633
0.00468941 -0.00690087 0.01893129
-5.87960208 7.20053279 -23.22738034
-0.00035986 0.00049644 -0.00132115
0.02399868 -0.00540061 0.02747715
4.25314855 1.31385490 -2.70802603
-0.00028557 0.00169122 0.00053162
0.00434038 -0.00696196 -0.00299223
1.63190088 0.43904888 -1.67500542
0.00034547 -0.00016081 0.00111212
0.01569871 0.01442762 -0.00396729
14.95758111 7.39750091 5.77686811
-0.00043627 -0.00013824 -0.00031171
-0.00119912 0.00929773 -0.02470191
15.92510607 9.85489702 4.44874569
0.00003489 0.00052994 -0.00046592
-0.02218050 -0.03005140 -0.01617701
1.44928009 -11.77020753 -13.78233675
0.00010966 -0.00003178 -0.00019007
0.00124288 0.00333869 0.00274257
-13.56317104 14.53253765 22.65023889
-0.00000174 0.00016649 0.00014282
0.00199907 -0.00423002 0.00315929
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02448933
0.34799417
463.68478471
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0540697674
ExchangeOperator: pair fraction: ispin=0: 0.1262736614
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3318749048 (a.u.)
total exchange computation time: 2.5014929771 s
-154.1047800775
-931.36894337
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0540697674
ExchangeOperator: pair fraction: ispin=0: 0.1262736614
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3316412979 (a.u.)
total exchange computation time: 2.5012929440 s
-154.1073128731
Anderson extrapolation: theta=1.3515714288 (1.3515714288)
-931.36917208
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0540697674
ExchangeOperator: pair fraction: ispin=0: 0.1262736614
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3312140929 (a.u.)
total exchange computation time: 2.5031599998 s
-154.1116750685
Anderson extrapolation: theta=0.0505192584 (0.0505192584)
-931.36930796
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0540697674
ExchangeOperator: pair fraction: ispin=0: 0.1262736614
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3311035760 (a.u.)
total exchange computation time: 2.4998447895 s
-154.1126848927
Anderson extrapolation: theta=1.8766565682 (1.8766565682)
-931.36931255
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0540697674
ExchangeOperator: pair fraction: ispin=0: 0.1262736614
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3308671596 (a.u.)
total exchange computation time: 2.4999518394 s
-154.1147931533
Anderson extrapolation: theta=0.2059136766 (0.2059136766)
-931.36931674
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0540697674
ExchangeOperator: pair fraction: ispin=0: 0.1262736614
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3308079649 (a.u.)
total exchange computation time: 2.5045928955 s
-154.1152827632
Anderson extrapolation: theta=1.8854826726 (1.8854826726)
-931.36931736
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0540697674
ExchangeOperator: pair fraction: ispin=0: 0.1262736614
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3307141744 (a.u.)
total exchange computation time: 2.5006721020 s
-154.1160236923
Anderson extrapolation: theta=0.2817751541 (0.2817751541)
-931.36931791
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0540697674
ExchangeOperator: pair fraction: ispin=0: 0.1262736614
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3307064744 (a.u.)
total exchange computation time: 2.5012559891 s
-154.1160498178
Anderson extrapolation: theta=1.3519844965 (1.3519844965)
-931.36931799
-23.730727 -127.220382 -243.969284
-138.583895 458.819954 -804.047313
-162.314621 331.599572 -1048.016598
1111.144951
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0540697674
ExchangeOperator: pair fraction: ispin=0: 0.1262736614
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3307103384 (a.u.)
total exchange computation time: 2.5351469517 s
678.20732744
-1082.94108451
89.88841424
-389.51355092
-174.67971383
77.87197288
551.60419304
0.00000000
-931.36931793
-9.25600532 -5.46590981 9.57346581
-0.00005608 0.00029116 0.00011798
-0.01113597 0.00474640 -0.00942242
-13.87667521 5.11344697 9.08498305
0.00002294 -0.00011735 -0.00014546
0.00852193 0.00833084 0.00000197
-15.77558609 1.65356466 2.99449701
0.00011709 -0.00015303 -0.00017112
-0.03841494 -0.00868899 -0.00444276
2.45464580 -19.68653352 13.16348184
0.00019340 -0.00008223 0.00043583
-0.03111157 0.01903329 -0.02012862
9.48423624 20.77135579 0.56487815
0.00047575 0.00009586 -0.00009824
-0.00941680 0.04831292 -0.01321729
-11.08091478 12.71710638 15.11422751
-0.00002204 -0.00008637 0.00018726
-0.01762924 0.03688396 -0.00409078
-6.01754985 1.15808634 -13.05528655
-0.00008727 -0.00003334 0.00021759
-0.00010037 0.00579453 0.02922538
-9.09376521 6.46849618 -6.88722335
0.00025211 0.00030898 0.00009396
0.00720154 -0.00501362 -0.01375701
-7.66906718 -3.71593918 18.06729494
0.00022902 0.00005558 0.00007248
0.00899324 0.03324010 0.00190374
-23.23206319 -7.47617828 -23.35230911
-0.00006010 -0.00032183 -0.00016077
-0.01699885 -0.00401842 -0.01060748
8.07635969 12.88406657 6.48096950
0.00046866 0.00036200 0.00005865
0.01595439 -0.03961985 0.06225121
23.41894857 29.19928246 -3.36770991
-0.00033660 -0.00039889 0.00033960
-0.00322437 0.02550052 -0.00828407
9.10924065 -0.21774150 -14.64467786
0.00036512 0.00027668 0.00009390
0.02530712 0.00026515 0.00052735
-8.87312912 -0.95009501 12.79215583
-0.00031503 -0.00015577 -0.00017740
-0.03702935 -0.03902887 -0.00690056
-2.03163756 -25.94944451 10.37973581
-0.00033479 0.00001706 0.00033035
0.00452597 -0.00688255 0.02094570
-15.12086615 -4.28225189 -7.23776183
-0.00012173 0.00023776 0.00017087
-0.00289269 -0.00974743 -0.01405654
-19.40703566 -10.96885756 -18.29868024
0.00014506 0.00010187 -0.00004308
-0.00321392 -0.04796962 0.00752576
21.50558419 5.09067409 4.67262614
-0.00052236 0.00020612 0.00002895
0.01284942 0.01499638 -0.01230957
18.81340660 -11.67318639 -13.47770079
0.00082918 0.00002468 0.00017534
0.03765675 -0.02443919 -0.03583068
-2.86328282 -0.14126610 -6.72433075
-0.00033936 -0.00042906 0.00026086
-0.01376601 0.02119902 -0.00463313
-4.00543562 -3.16425485 -17.50069265
0.00034066 -0.00013543 -0.00011747
0.00295908 -0.01304692 0.00882329
14.24140434 16.43863067 -21.21776356
-0.00007305 0.00000671 -0.00013475
-0.01538021 -0.00497020 0.01290124
-14.83108516 17.24516857 -13.18815611
0.00034970 0.00037617 -0.00036517
0.01565227 0.04557764 0.05187321
1.67734202 15.03830770 8.26806732
-0.00005745 -0.00005080 -0.00039280
-0.04348114 0.02785195 -0.01222004
-4.57495866 -9.32452828 3.98217257
0.00024726 0.00019143 -0.00020592
-0.00289675 -0.00468197 -0.01015815
2.12154216 -5.22015122 2.38547197
0.00005995 -0.00003420 -0.00016687
0.01417528 0.04648482 -0.01697549
9.73501521 7.05208487 4.54868084
-0.00012377 0.00005871 -0.00003244
0.02134031 -0.02282422 0.02480443
-9.15951083 -9.99950830 -2.82469942
-0.00028409 -0.00032324 -0.00001299
0.04223303 -0.04008759 0.00931470
3.55672349 -15.56306992 -12.94938428
0.00012451 -0.00009675 -0.00027640
-0.01115867 0.01714729 -0.00794473
3.80461945 -5.72760459 -3.51370846
0.00005360 -0.00001239 0.00041038
-0.03377255 0.03681270 -0.03903384
18.45595210 1.85056510 24.58519439
-0.00007128 0.00021695 -0.00005243
-0.01922307 -0.00186713 -0.01177692
-8.77923994 2.74923171 1.50959920
-0.00015858 -0.00023568 0.00009643
0.00642963 0.00570047 -0.00743416
-6.38542403 12.86733766 -9.92875131
0.00052110 -0.00026051 0.00024935
-0.01611946 -0.00297130 0.01040628
1.64890662 13.15751587 -7.57665438
-0.00008405 0.00023890 0.00006876
0.00722005 0.00581597 -0.01078434
-10.80041397 10.10689503 -12.51411981
-0.00021284 -0.00012123 -0.00009555
-0.02179765 0.02211711 0.00914055
8.02600829 4.24223567 14.54682679
-0.00017507 -0.00031511 0.00002001
-0.01773808 -0.00651431 0.00728146
-15.65388313 9.53759304 -8.26292373
0.00033024 0.00032922 0.00044834
0.01430366 0.01891937 0.00838407
8.90605650 7.78420956 -2.98108442
-0.00017683 -0.00006499 -0.00000692
-0.01181134 0.04223796 0.00167292
14.15276394 -20.63031453 -26.81837389
0.00000938 -0.00021666 0.00023101
-0.00450056 -0.00889782 0.01066842
4.96155573 7.09393457 1.46287353
-0.00006068 -0.00007415 0.00037004
0.01774102 -0.01051356 0.00323453
18.47746569 -5.85408160 -7.49214581
-0.00042806 0.00007353 -0.00019835
0.03548029 -0.03621268 -0.01644978
-1.82903615 -1.96947871 -2.05339212
-0.00020882 -0.00019176 -0.00014787
0.00299747 -0.00148133 0.02399605
2.77422653 -1.99784453 -12.01586492
-0.00006714 -0.00013930 -0.00005139
0.04184864 -0.02701973 -0.00157045
19.58474532 9.36693637 -6.28586190
0.00008720 -0.00006610 0.00013300
-0.02872562 0.03004688 0.00063591
-7.43716177 5.95230283 9.05561897
-0.00028094 -0.00020314 -0.00040427
-0.00022971 -0.01532380 0.02532657
-1.91435736 -16.00777453 11.48913626
0.00021871 -0.00013027 -0.00020540
-0.01460568 0.00726040 -0.00867929
7.50100174 -0.42964130 -4.34727439
0.00018188 -0.00009760 -0.00054281
0.02656071 -0.00298723 0.04901012
-0.91763944 -12.02902366 0.60635193
-0.00009813 -0.00008133 0.00006252
-0.01172241 -0.01184853 -0.00285120
-19.97728626 -0.92711914 5.23571530
0.00002941 0.00050323 0.00019062
0.00691951 -0.01583624 0.01133292
-6.17318588 7.75252165 -24.87823613
-0.00013740 0.00018952 -0.00036487
-0.03555019 0.02082359 -0.04809721
2.82512814 1.88066285 -1.74207536
-0.00039768 -0.00002444 -0.00023231
-0.02968985 -0.00885447 0.01102288
14.87855641 8.26432379 4.07554073
-0.00021283 -0.00004514 0.00012784
0.02118473 0.01899299 0.03901018
-8.27427457 -6.59631891 10.64460298
0.00042920 -0.00107350 0.00014768
0.00116303 -0.01114426 -0.00678493
-10.01805485 -6.43413879 8.18663366
-0.00004439 0.00067230 0.00010802
0.01101264 0.00414410 0.01915204
-13.30808485 6.19906319 7.70721662
0.00049659 -0.00015796 0.00008925
-0.00049115 -0.00222012 -0.00202122
-13.87071056 3.46874817 8.30301282
-0.00019757 -0.00010812 -0.00113843
0.00119323 -0.01019326 0.00648964
-15.04398083 1.82444557 4.65285002
0.00004744 0.00018914 0.00045407
0.00319058 -0.00889469 0.00355135
-17.42678172 0.69594285 3.27237196
-0.00062027 -0.00042540 0.00029356
0.03075849 0.01941238 0.00278200
3.45765430 -21.03293416 12.64922913
-0.00157136 0.00017121 0.00001449
0.01548868 -0.03326771 -0.02028184
3.07139982 -19.34904086 14.76868594
-0.00070083 -0.00028876 -0.00071427
0.01083508 0.01698769 0.03824347
9.45196560 19.12341971 1.20975396
-0.00069397 0.00008780 -0.00066406
-0.00652106 -0.03374813 0.00565210
7.98938469 21.72290594 1.29064784
0.00032241 -0.00047148 -0.00014696
0.02270498 -0.00827582 0.00185612
-10.37416685 12.93603727 16.89440444
-0.00026401 -0.00053743 0.00067213
-0.00816359 -0.00844127 -0.01685078
-12.01818077 14.33432566 14.72578792
0.00033549 0.00125431 0.00104254
0.01926821 -0.03149097 0.00880101
-5.67166625 0.00631469 -14.42569618
-0.00062087 -0.00023579 0.00010728
0.00037773 -0.00592156 0.01000077
-6.31519945 0.38171857 -11.33874045
0.00019911 0.00001889 -0.00062736
0.00020142 -0.00262747 -0.03910727
-8.50136319 8.06248862 -6.27947941
0.00019396 0.00054099 0.00012166
0.00808905 0.00737829 -0.00153925
-10.23214447 6.08240837 -5.55154053
0.00128612 0.00023583 0.00020754
-0.01714847 -0.00101404 0.01185927
-7.42978914 -1.81169960 18.11087082
-0.00013757 -0.00030013 0.00006915
-0.00832192 -0.04251446 0.00003967
-7.69299245 -4.27062762 19.82876274
0.00067360 0.00033836 -0.00091498
0.00167641 0.00476723 -0.00491150
-24.82533623 -6.62918607 -23.19948815
0.00035902 0.00107774 0.00011195
-0.00896899 0.00039372 -0.00237525
-22.11293063 -6.08198726 -23.12346759
-0.00066171 -0.00048954 -0.00048974
0.01418577 0.00607447 0.00138531
8.82028989 12.88430980 4.89732160
-0.00022926 0.00015307 0.00001754
0.01161786 0.01045607 -0.05087532
9.19214341 11.54701500 7.37717717
0.00030346 -0.00044905 0.00079468
-0.02414078 0.02995645 -0.01036603
22.99613131 27.65527685 -2.59105014
0.00116957 -0.00079611 0.00076599
0.00165736 -0.03109234 0.00500876
23.24334043 30.32718988 -1.93652441
-0.00005862 -0.00039968 -0.00002396
-0.00083004 0.00710846 0.00137031
10.94948393 -0.60493836 -14.54991487
0.00104606 -0.00069324 -0.00000088
-0.03068241 0.00612764 0.00033694
8.23113834 -1.77836658 -14.17845411
-0.00064600 0.00061223 -0.00076727
0.00465743 -0.00135570 -0.00429150
-9.93370935 -0.89647903 14.28409449
0.00048920 0.00012535 -0.00059936
0.01177969 0.00968119 0.00544394
-9.74760113 -2.44122944 11.96181752
0.00022152 -0.00053925 -0.00097413
0.02837110 0.02599740 0.00263182
-2.82705116 -26.38772136 12.05218273
0.00029349 0.00024091 0.00006494
0.00642476 0.00188592 -0.02096025
-3.25102791 -25.86769861 9.05158414
0.00039208 0.00013630 -0.00026598
-0.00949816 0.00185392 -0.00469011
-14.55270429 -2.89407446 -6.17746011
-0.00031273 0.00090237 -0.00056425
0.00597858 0.00929816 0.01327382
-16.34168274 -3.41032663 -8.26089835
0.00012481 0.00033525 -0.00071023
-0.00294624 -0.00280738 -0.00831674
-18.68250324 -9.39744813 -18.59920030
-0.00148997 -0.00026218 -0.00038988
0.01468160 0.04056141 -0.00616812
-18.11536319 -12.19773586 -18.85328911
-0.00053883 -0.00088356 0.00042165
-0.01014130 0.00515894 0.00131544
22.42202628 6.03883011 3.40286599
0.00043891 0.00050617 0.00010003
0.01736600 -0.01917562 -0.01173364
20.57337864 6.56177069 5.07757004
-0.00024848 0.00049697 0.00027268
-0.02801256 0.00985321 0.02560387
17.95301356 -11.14068866 -12.03680347
0.00049844 0.00082221 0.00124757
-0.03009500 0.02077230 0.03134788
18.15233087 -10.83024197 -14.95405067
0.00032802 0.00033781 -0.00011114
-0.00364446 0.00714581 0.00249246
-2.48204908 1.47718081 -7.53872059
0.00017146 -0.00011071 0.00056870
0.00599018 -0.01511205 0.00726657
-4.58295816 0.12921973 -6.10075320
-0.00011668 0.00088933 -0.00005199
0.00707524 -0.00245334 -0.00516140
-2.80612030 -4.50079738 -17.93308854
-0.00022999 0.00033128 -0.00057510
-0.01062574 0.01413283 -0.00229623
-3.69114222 -1.69244016 -18.53850748
0.00019014 0.00026697 -0.00056919
0.00434900 0.00356852 -0.00261775
13.56664431 17.10458622 -19.63822366
0.00018212 0.00095401 0.00026862
0.01413276 0.00533910 -0.00554323
12.65721778 15.69456383 -21.83747459
0.00011035 -0.00014964 -0.00090116
0.00188058 -0.00199761 -0.00387907
-13.55394763 17.25511537 -11.79056746
-0.00002634 -0.00017960 0.00063873
-0.02203236 -0.00080923 -0.02193391
-14.62365453 15.64146568 -13.90634635
-0.00015439 0.00100996 0.00025530
0.00074574 -0.03973569 -0.02657900
1.42132988 15.67338547 6.53452381
-0.00019040 0.00069072 0.00001519
0.01603545 -0.01267545 0.00954188
0.16181144 15.97030909 9.00123669
-0.00111504 0.00072562 -0.00108596
0.02564268 -0.02014471 0.00303195
-6.06422761 -8.62882226 3.11852321
0.00133710 0.00061432 -0.00047988
0.01343585 0.00258035 0.00067806
-3.39742630 -9.89686895 2.64621743
0.00023208 -0.00066450 0.00177525
-0.00808353 0.00108076 0.00758853
1.76093022 -3.46101370 3.15505206
-0.00075667 -0.00048912 -0.00087938
0.01306714 -0.03406239 -0.01256834
3.22192469 -4.79706862 0.87066950
-0.00116898 0.00122568 0.00133240
-0.02043147 -0.00905111 0.03370103
8.51383705 7.72669261 3.48423686
-0.00099756 0.00058660 -0.00028040
-0.02814992 0.01745907 -0.02536405
11.27724262 7.99746614 4.37777350
0.00020479 0.00013558 -0.00087123
0.01197260 0.00670560 -0.00577796
-8.10391726 -11.62078096 -2.51521942
0.00059913 0.00089721 0.00081363
-0.01774666 0.02976838 -0.01154698
-10.12863933 -9.81653607 -1.32403331
0.00027520 -0.00071529 -0.00015120
-0.01627699 0.00696375 0.01330781
5.37373455 -15.44945224 -12.62628764
-0.00005515 0.00083668 0.00007031
-0.01334010 -0.01873176 0.00194997
2.75183510 -16.97071948 -12.09051769
-0.00127754 -0.00071918 0.00072386
0.01213326 0.00502097 0.00576157
4.87244453 -5.12749569 -4.94884487
-0.00042345 0.00066880 0.00022175
0.00324153 -0.01272517 0.02353743
4.65627424 -6.81878410 -2.44932846
0.00009925 0.00049779 -0.00011429
0.03506369 -0.02802394 0.01813874
16.80834705 2.58837976 24.13229532
-0.00004374 0.00048920 -0.00032744
0.00199269 -0.01470734 0.00236686
19.23746377 3.24301125 25.46275078
0.00019254 -0.00008917 0.00065422
0.01602682 0.00082533 0.00499087
-9.68138845 1.15900144 1.43015279
0.00073706 -0.00070352 -0.00030288
-0.01098996 0.00394619 0.00645577
-9.75665508 4.05695213 2.34863822
-0.00008300 -0.00068180 0.00070381
-0.00350975 -0.01116673 -0.00282895
-5.29068532 13.97202592 -8.89873307
0.00120413 -0.00111741 0.00051452
-0.01226460 -0.00196375 -0.00288361
-7.92260123 12.46320716 -8.89514825
0.00078412 -0.00019480 0.00007851
0.01707935 0.00770063 -0.01219337
0.45703810 11.90686624 -6.93385342
0.00145870 -0.00070787 0.00035560
0.00683840 0.01583588 0.00897501
2.05726347 14.61817774 -6.48289286
-0.00034005 0.00011562 -0.00052061
-0.01241674 -0.02680631 0.00494424
-10.30640798 8.42333691 -12.87084273
-0.00112892 0.00068702 0.00037302
0.00364648 -0.01940934 -0.00450398
-12.11003142 9.99602488 -11.20953194
0.00008933 -0.00044745 0.00052702
0.01046323 -0.00191339 -0.00653843
7.42602041 4.96134508 12.94696150
-0.00028286 0.00116282 -0.00011799
0.01522692 -0.00701133 0.01066605
9.78322861 3.85827835 14.44394022
-0.00038558 -0.00021670 0.00105387
0.00513279 0.00428649 -0.01631202
-14.04763147 10.25227353 -7.61824142
-0.00049152 0.00004157 0.00130213
-0.01287962 -0.00094689 -0.00799369
-16.86339359 10.91574007 -7.99993603
-0.00037175 0.00016036 0.00017402
0.00190287 -0.00831328 -0.00238036
8.98476337 9.56122366 -2.34907509
-0.00005584 -0.00073132 -0.00022794
0.00806302 -0.02604694 0.00172291
7.93244206 8.21852495 -4.49061414
-0.00053057 0.00091136 -0.00099634
-0.00143476 -0.02023028 -0.00014091
14.44884851 -18.98939567 -27.53983081
0.00027447 0.00037551 -0.00025655
0.00107652 0.01171099 -0.00234872
13.49803283 -20.34024877 -25.12557973
-0.00031890 -0.00051237 -0.00057143
0.00549664 0.00515405 -0.00334212
5.46598904 5.46810416 2.15084908
-0.00015699 -0.00127875 0.00013051
-0.01166811 -0.00758619 0.01104377
6.02966133 6.96334548 -0.01932310
0.00030812 -0.00065456 -0.00061917
-0.00402543 0.01380713 -0.01401954
19.55163290 -7.20466116 -6.74439146
0.00044973 0.00096219 -0.00013987
-0.01136916 0.02616163 -0.00406342
17.48796966 -5.07871538 -6.23773100
0.00040128 -0.00023797 -0.00010242
-0.02066817 0.01264830 0.03010356
-2.64969976 -0.80667442 -0.90799553
0.00027118 -0.00024240 -0.00103916
0.00120885 -0.00056384 0.00307458
-2.01781783 -1.17752113 -3.66502850
-0.00040633 -0.00035642 0.00083877
0.00167725 0.00453872 -0.02009963
3.92561599 -3.52961243 -12.03385967
0.00003782 0.00037438 -0.00006354
-0.01761886 0.02563234 -0.00608715
1.13273256 -2.69163525 -11.66746110
0.00017746 -0.00020466 -0.00041383
-0.01760804 -0.00100322 0.00380384
19.53065456 8.21814475 -7.65543880
0.00026804 0.00040123 -0.00001771
-0.00179677 -0.01557290 -0.02834783
20.77766259 8.58942053 -5.24204498
0.00006170 -0.00048881 0.00031656
0.03777055 -0.01961160 0.03000318
-7.09482854 4.09539406 9.39126108
0.00052884 -0.00156772 0.00012049
-0.00393128 0.01908835 -0.01812424
-7.82766759 6.59265484 10.74945715
0.00070773 0.00022398 -0.00052958
0.00557250 -0.00263566 -0.01124643
-2.53244858 -17.71611501 11.35811639
0.00046417 -0.00050221 0.00084495
0.00338782 -0.00089207 -0.00189753
-2.92433032 -15.10563962 10.20468926
0.00041892 -0.00054838 -0.00031518
0.00747578 -0.00431777 0.00902142
8.58697054 -0.53204336 -2.69334073
-0.00038908 -0.00044365 -0.00053784
-0.02709200 -0.00416194 -0.03602691
7.88300398 1.13708994 -5.16239320
-0.00114284 -0.00038330 -0.00028213
0.00217647 0.01417044 -0.00736515
0.43059184 -11.72172201 1.80327424
-0.00036590 -0.00063754 0.00010512
0.00913058 0.00515832 0.00658212
-0.95641860 -10.45619417 -0.36443170
0.00011294 -0.00057678 -0.00020435
0.00182348 0.00529063 -0.00086649
-19.73673723 -1.61756767 7.02600976
-0.00007615 -0.00034536 -0.00073439
-0.00098112 0.01699896 -0.01670472
-21.02544665 0.53222865 5.39579622
0.00000983 -0.00071918 0.00086804
-0.00844660 0.00745426 0.00332818
-4.83698801 8.32798012 -26.02202290
-0.00168405 -0.00037604 -0.00076590
0.01037139 -0.00499074 0.01554526
-5.88426465 7.20781394 -23.24635555
-0.00025745 0.00046796 -0.00119089
0.02613171 -0.00854337 0.03628216
4.24899806 1.33900982 -2.70014344
-0.00025822 0.00165700 0.00051214
0.00904760 -0.00978899 -0.00654419
1.63756405 0.43707877 -1.65844523
0.00040836 -0.00010545 0.00109405
0.01508537 0.01267310 -0.00487452
14.95100027 7.39571215 5.77143559
-0.00044019 -0.00010116 -0.00040791
-0.00071875 0.00885352 -0.02238869
15.92494970 9.86192519 4.44126121
-0.00005836 0.00040276 -0.00053091
-0.02346583 -0.03220235 -0.01563656
1.45092827 -11.77067532 -13.78518051
0.00011010 -0.00003057 -0.00018910
0.00123351 0.00342437 0.00271209
-13.56319363 14.53502761 22.65238670
-0.00000128 0.00016552 0.00014353
0.00196886 -0.00415796 0.00296040
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02446113
0.34485680
459.50439824
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0538517442
ExchangeOperator: pair fraction: ispin=0: 0.1255381287
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3395948990 (a.u.)
total exchange computation time: 2.5102519989 s
-154.1299700884
-931.36461636
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0538517442
ExchangeOperator: pair fraction: ispin=0: 0.1255381287
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3392764764 (a.u.)
total exchange computation time: 2.5099580288 s
-154.1333059608
Anderson extrapolation: theta=1.3624788731 (1.3624788731)
-931.36486069
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0538517442
ExchangeOperator: pair fraction: ispin=0: 0.1255381287
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3387517607 (a.u.)
total exchange computation time: 2.5097389221 s
-154.1386770768
Anderson extrapolation: theta=0.0568566802 (0.0568566802)
-931.36500927
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0538517442
ExchangeOperator: pair fraction: ispin=0: 0.1255381287
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3386523789 (a.u.)
total exchange computation time: 2.5101358891 s
-154.1396686245
Anderson extrapolation: theta=2.0850412998 (2.0000000000)
-931.36501558
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0538517442
ExchangeOperator: pair fraction: ispin=0: 0.1255381287
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3384418461 (a.u.)
total exchange computation time: 2.5097758770 s
-154.1417561304
Anderson extrapolation: theta=0.2832624482 (0.2832624482)
-931.36502262
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0538517442
ExchangeOperator: pair fraction: ispin=0: 0.1255381287
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3383902669 (a.u.)
total exchange computation time: 2.5091838837 s
-154.1422720970
Anderson extrapolation: theta=1.6044191243 (1.6044191243)
-931.36502406
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0538517442
ExchangeOperator: pair fraction: ispin=0: 0.1255381287
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3383386242 (a.u.)
total exchange computation time: 2.5091259480 s
-154.1428152283
Anderson extrapolation: theta=0.3566865523 (0.3566865523)
-931.36502537
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0538517442
ExchangeOperator: pair fraction: ispin=0: 0.1255381287
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3383501335 (a.u.)
total exchange computation time: 2.5081508160 s
-154.1427380527
Anderson extrapolation: theta=1.1180480600 (1.1180480600)
-931.36502564
-23.721476 -127.236638 -243.967402
-138.594430 458.810502 -804.064499
-162.315905 331.573863 -1048.031900
1111.151899
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0538517442
ExchangeOperator: pair fraction: ispin=0: 0.1255381287
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3383839528 (a.u.)
total exchange computation time: 2.5098578930 s
678.34493591
-1083.21282140
89.87035004
-389.32792723
-174.70117904
78.01943867
551.60419304
0.00000000
-931.36502567
-9.25688953 -5.46152407 9.57519917
-0.00006047 0.00029246 0.00011464
-0.00592585 0.00030266 -0.00358243
-13.87629830 5.11171887 9.08280109
0.00002732 -0.00011387 -0.00014585
0.00853535 0.00518198 -0.00150254
-15.77397796 1.65123575 2.99191304
0.00009689 -0.00015781 -0.00017219
-0.04014191 -0.00991985 0.00028705
2.45742682 -19.68769355 13.16994161
0.00017472 -0.00007109 0.00042299
-0.04152219 0.02428870 -0.02977651
9.49133617 20.77298000 0.56335354
0.00047097 0.00012064 -0.00010508
-0.00916359 0.04804977 -0.01337576
-11.08131342 12.71595311 15.11702060
-0.00003145 -0.00006637 0.00018542
-0.01893673 0.04090269 -0.00305425
-6.01885935 1.15760858 -13.05191001
-0.00008702 -0.00003013 0.00023130
0.00108946 0.00669676 0.02411706
-9.08995576 6.47311160 -6.88586697
0.00025664 0.00030708 0.00008624
0.01039662 -0.00240834 -0.01626713
-7.66559723 -3.71497721 18.06838953
0.00023357 0.00007263 0.00007171
0.00871558 0.03304726 -0.00490208
-23.23303031 -7.48102126 -23.35476161
-0.00007017 -0.00032399 -0.00016625
-0.02214256 -0.00437320 -0.01069052
8.08345110 12.88934379 6.48208936
0.00047700 0.00034117 0.00009153
0.01646719 -0.04139415 0.06559715
23.41388718 29.19339748 -3.36264786
-0.00033834 -0.00038660 0.00033508
-0.00355107 0.02227657 -0.00927552
9.11481515 -0.21359024 -14.64326728
0.00037926 0.00027665 0.00009413
0.02964949 -0.00040996 0.00034351
-8.87799735 -0.95258205 12.78946825
-0.00033309 -0.00017613 -0.00018259
-0.03321645 -0.04014620 -0.01327403
-2.03664202 -25.94921509 10.38477188
-0.00033176 0.00001379 0.00034022
0.00728246 -0.00584846 0.01742287
-15.12270321 -4.27872311 -7.23525302
-0.00012377 0.00023318 0.00016313
-0.00503506 -0.00805107 -0.01605464
-19.40487221 -10.96751452 -18.29929740
0.00014218 0.00007503 -0.00003863
-0.00796500 -0.05640208 0.00977946
21.49779838 5.09382381 4.67301297
-0.00051533 0.00021471 0.00002203
0.01449552 0.01840495 -0.01461119
18.82598958 -11.67291044 -13.47520891
0.00084658 0.00001357 0.00015866
0.03000775 -0.01875521 -0.02902689
-2.86842638 -0.14762026 -6.72043579
-0.00034619 -0.00041758 0.00025815
-0.01279787 0.02344313 -0.00587862
-4.00031425 -3.16633661 -17.50242069
0.00034168 -0.00014039 -0.00011331
0.00100315 -0.00623052 0.00737640
14.24024923 16.43871220 -21.21973508
-0.00008120 0.00000450 -0.00012743
-0.01631457 -0.00365470 0.01559102
-14.82577932 17.25098692 -13.19343360
0.00035788 0.00040124 -0.00033720
0.01617273 0.05191321 0.05690516
1.67631254 15.03765312 8.26212825
-0.00008088 -0.00003574 -0.00039856
-0.04761024 0.03071818 -0.01018867
-4.57126096 -9.32167494 3.97904465
0.00024545 0.00018916 -0.00020910
-0.00413763 -0.00412904 -0.00223542
2.12249602 -5.22048491 2.38290338
0.00006589 -0.00001085 -0.00017400
0.00895654 0.04430840 -0.01072066
9.73324093 7.05287755 4.54828990
-0.00011386 0.00004837 -0.00002135
0.01720865 -0.01740770 0.01831363
-9.16360927 -10.00451151 -2.82485839
-0.00026204 -0.00034352 -0.00000866
0.04349418 -0.03879212 0.00754900
3.55854809 -15.56445506 -12.95356093
0.00011716 -0.00008989 -0.00027934
-0.01740652 0.00955649 -0.00349839
3.80529324 -5.72764842 -3.50770332
0.00003552 0.00000746 0.00038942
-0.03656784 0.04038510 -0.04246665
18.45480870 1.85381221 24.58436250
-0.00008109 0.00021626 -0.00005834
-0.01892048 -0.00081739 -0.01121434
-8.78159380 2.74571849 1.51101691
-0.00015499 -0.00023283 0.00009247
0.00750532 0.00538114 -0.00793908
-6.37766975 12.86341852 -9.92497089
0.00051329 -0.00026195 0.00025434
-0.01425029 -0.00260691 0.00899369
1.64767375 13.16112185 -7.57566451
-0.00008021 0.00024151 0.00006243
0.00770377 0.00432862 -0.01386520
-10.80369060 10.10516193 -12.51551783
-0.00022507 -0.00010779 -0.00008992
-0.02576925 0.03013083 0.01275690
8.02331376 4.23748386 14.54715499
-0.00018535 -0.00031784 0.00002292
-0.02221500 -0.00409120 0.00405000
-15.64887432 9.54260431 -8.25616630
0.00033638 0.00033884 0.00045248
0.00956373 0.01851124 0.00770534
8.90335849 7.78339764 -2.98118179
-0.00018412 -0.00004386 -0.00000826
-0.01654432 0.03991943 -0.00687708
14.15288725 -20.63359876 -26.81486759
0.00000783 -0.00022005 0.00023456
-0.00151239 -0.00427174 0.00314211
4.96071393 7.09278171 1.46843655
-0.00005007 -0.00008125 0.00037072
0.02351740 -0.01708493 -0.00056233
18.47118160 -5.85311830 -7.49518455
-0.00040926 0.00005462 -0.00020748
0.03764241 -0.03732902 -0.01906145
-1.83215696 -1.97236082 -2.05551755
-0.00020653 -0.00019419 -0.00013487
0.00592514 -0.00797221 0.02655394
2.77338078 -2.00003827 -12.01664177
-0.00004559 -0.00015252 -0.00005221
0.04198016 -0.02438912 -0.00164220
19.58594253 9.36606079 -6.28386437
0.00007307 -0.00005086 0.00013400
-0.02622742 0.02919842 0.00321624
-7.44137675 5.94919657 9.04965269
-0.00028054 -0.00021292 -0.00039130
0.00177620 -0.02268076 0.02510469
-1.91113305 -16.00970057 11.48602174
0.00021143 -0.00012714 -0.00020948
-0.01369132 0.00492337 -0.00719063
7.50383233 -0.43111683 -4.35522754
0.00019490 -0.00010033 -0.00051732
0.02408303 -0.00763503 0.05014290
-0.91915654 -12.03028935 0.60727869
-0.00010447 -0.00008797 0.00006101
-0.01294291 -0.01398225 -0.00301768
-19.97681836 -0.91963172 5.23861833
0.00003396 0.00049375 0.00019561
0.01076227 -0.02105270 0.00807292
-6.17538398 7.75544481 -24.88389466
-0.00015758 0.00020035 -0.00039039
-0.04291068 0.02129826 -0.05114195
2.81904836 1.88026215 -1.74551755
-0.00041395 -0.00002781 -0.00022565
-0.03357352 -0.00426620 0.01489280
14.87544562 8.26371997 4.07760883
-0.00020186 -0.00003476 0.00014700
0.02147221 0.02136044 0.03550749
-8.26780086 -6.61276294 10.64661034
0.00042591 -0.00110845 0.00011158
-0.00277499 -0.00596240 -0.01088727
-10.01838325 -6.42392728 8.18884086
-0.00000155 0.00068752 0.00018301
0.00995822 0.00330446 0.01755574
-13.30065098 6.19662572 7.70849347
0.00049471 -0.00016578 0.00008053
-0.00043031 -0.00160509 -0.00224716
-13.87363760 3.46681394 8.28613517
-0.00019271 -0.00014408 -0.00110792
0.00118941 -0.00740730 0.00844510
-15.04317140 1.82701011 4.65976994
0.00005716 0.00015199 0.00046014
0.00156495 -0.00929289 -0.00058060
-17.43514318 0.69015668 3.27686056
-0.00048805 -0.00034249 0.00030387
0.03396344 0.02117493 0.00226508
3.43455856 -21.03138540 12.64882499
-0.00149705 0.00001992 -0.00007375
0.02088536 -0.04078951 -0.02291300
3.06121932 -19.35285173 14.75914374
-0.00064644 -0.00021481 -0.00053334
0.01579009 0.01921293 0.05032648
9.44135623 19.12370254 1.19996631
-0.00071974 -0.00005282 -0.00064102
-0.00609275 -0.03508717 0.00562245
7.99491666 21.71558017 1.28850036
0.00041394 -0.00050260 -0.00013930
0.02209654 -0.00695680 0.00189177
-10.37837718 12.92771711 16.90397002
-0.00029761 -0.00057253 0.00060017
-0.00828060 -0.00874001 -0.01837213
-12.01255801 14.35217534 14.74169572
0.00041717 0.00111814 0.00107861
0.02071744 -0.03516416 0.00885639
-5.68096771 0.00259641 -14.42378052
-0.00061972 -0.00025796 0.00014874
0.00018617 -0.00493300 0.01029242
-6.31220670 0.38192148 -11.34934916
0.00019790 0.00000442 -0.00077687
-0.00079308 -0.00445826 -0.03407916
-8.49820595 8.07082961 -6.27770166
0.00022585 0.00056812 0.00011369
0.00752281 0.00590277 -0.00236101
-10.21337820 6.08591476 -5.54806397
0.00121018 0.00022912 0.00026272
-0.02002542 -0.00227292 0.01515084
-7.43210776 -1.81750425 18.11190923
-0.00017056 -0.00046842 0.00006874
-0.00782270 -0.03986850 -0.00024006
-7.68283708 -4.26540607 19.81488746
0.00067987 0.00035267 -0.00092049
0.00139205 0.00223518 0.00221871
-24.82022584 -6.61300795 -23.19788170
0.00032485 0.00107479 0.00010165
-0.00775661 -0.00183601 -0.00266825
-22.12242164 -6.08914415 -23.13077119
-0.00059523 -0.00045911 -0.00048369
0.01835780 0.00881680 0.00157552
8.81720700 12.88692621 4.89602567
-0.00018018 0.00019447 -0.00019216
0.01240665 0.00981008 -0.05177035
9.19595562 11.54119718 7.38877976
0.00020258 -0.00032177 0.00074745
-0.02524426 0.03234989 -0.01275607
23.01372557 27.64238243 -2.57940682
0.00117775 -0.00091905 0.00078474
0.00234926 -0.02908647 0.00417227
23.24243572 30.32141255 -1.93684178
-0.00006268 -0.00036821 -0.00001471
-0.00115900 0.00829467 0.00315497
10.96423469 -0.61514919 -14.54991769
0.00091027 -0.00066625 0.00000028
-0.03578832 0.00708629 0.00023155
8.22159107 -1.76922470 -14.19009474
-0.00062546 0.00060605 -0.00078417
0.00539715 -0.00166840 -0.00397770
-9.92601038 -0.89430205 14.27527090
0.00052927 0.00016388 -0.00056807
0.00783421 0.00917484 0.00987260
-9.74340894 -2.44852150 11.94728624
0.00033762 -0.00042994 -0.00095953
0.02845973 0.02750761 0.00451452
-2.82245200 -26.38404996 12.05251459
0.00031509 0.00024700 -0.00001561
0.00415220 0.00109739 -0.01847178
-3.24543773 -25.86559728 9.04745066
0.00035206 0.00014362 -0.00028408
-0.01009443 0.00172742 -0.00417030
-14.55721199 -2.88025397 -6.18551706
-0.00028802 0.00093956 -0.00050965
0.00611398 0.00890622 0.01345386
-16.33990086 -3.40538389 -8.27180668
0.00011668 0.00032023 -0.00074084
-0.00103304 -0.00454698 -0.00666845
-18.70440294 -9.40013787 -18.60523745
-0.00142161 -0.00008297 -0.00041912
0.01878362 0.04716131 -0.00814508
-18.12375647 -12.21083121 -18.84692409
-0.00057873 -0.00085899 0.00042626
-0.00938587 0.00687165 0.00094266
22.42914205 6.04583504 3.40400693
0.00050415 0.00042360 0.00005882
0.01457151 -0.02124364 -0.00843894
20.56879311 6.56952723 5.08244475
-0.00036055 0.00053432 0.00037549
-0.02684861 0.00843046 0.02472277
17.95956792 -11.12771896 -12.01712935
0.00038764 0.00089914 0.00135441
-0.02414321 0.01688556 0.02095149
18.15713948 -10.82495582 -14.95564135
0.00031600 0.00036305 -0.00009389
-0.00224056 0.00520772 0.00595166
-2.47929355 1.47505705 -7.52996738
0.00019635 -0.00017539 0.00059910
0.00619038 -0.01654719 0.00761541
-4.58449161 0.14248446 -6.10169119
-0.00009025 0.00087780 -0.00007149
0.00586474 -0.00318907 -0.00438303
-2.80989579 -4.49539516 -17.94178547
-0.00026736 0.00038163 -0.00058637
-0.00766838 0.01051427 -0.00321844
-3.68815688 -1.68832623 -18.54712558
0.00020583 0.00027532 -0.00057488
0.00333001 0.00051605 -0.00016588
13.56980924 17.11905997 -19.63436421
0.00024079 0.00097089 0.00023720
0.01458537 0.00292256 -0.00983786
12.65893059 15.69225800 -21.85111083
0.00011940 -0.00015559 -0.00091341
0.00255373 -0.00091604 -0.00212080
-13.55501782 17.25239657 -11.78165867
-0.00011931 -0.00018216 0.00054474
-0.02347726 -0.00044393 -0.02407255
-14.62594750 15.65539752 -13.90333129
-0.00014992 0.00083407 0.00014072
0.00144247 -0.04636414 -0.02951157
1.41896523 15.68335792 6.53504400
-0.00012353 0.00063836 0.00005092
0.01670005 -0.01295574 0.00795074
0.14587159 15.98057612 8.98504015
-0.00100322 0.00063818 -0.00107390
0.02909271 -0.02265790 0.00287106
-6.04375941 -8.61952839 3.11134579
0.00138501 0.00062771 -0.00048134
0.01001736 0.00397599 -0.00139105
-3.39419278 -9.90680329 2.67307878
0.00020833 -0.00066374 0.00179372
-0.00354509 -0.00070907 0.00144850
1.74998060 -3.46939430 3.14147620
-0.00070504 -0.00062484 -0.00092649
0.01220351 -0.03237177 -0.01049332
3.20376391 -4.77896071 0.89168814
-0.00124024 0.00118940 0.00145296
-0.01445165 -0.00871062 0.02531382
8.49801100 7.73602659 3.47925357
-0.00109859 0.00064991 -0.00037149
-0.02130171 0.01353258 -0.01922547
11.28068142 7.99970531 4.36452795
0.00024823 0.00015972 -0.00089399
0.00929137 0.00510984 -0.00536240
-8.09547417 -11.60641057 -2.50336876
0.00052830 0.00101450 0.00076482
-0.01692562 0.02764615 -0.01234475
-10.12501018 -9.82705197 -1.32589358
0.00020422 -0.00068512 -0.00009096
-0.01846675 0.00780174 0.01618197
5.37249854 -15.43747610 -12.62517324
-0.00010867 0.00075839 0.00007926
-0.01285797 -0.01959034 0.00243331
2.73304376 -16.98135328 -12.07948329
-0.00121624 -0.00068145 0.00073745
0.01787395 0.01344722 0.00089158
4.86619207 -5.11785364 -4.94479733
-0.00041027 0.00061613 0.00031851
0.00321170 -0.01305522 0.02382495
4.65883745 -6.81217604 -2.45048695
0.00024792 0.00037723 -0.00003388
0.03770988 -0.03098980 0.02122163
16.80775202 2.59526706 24.12745625
-0.00003390 0.00042886 -0.00031689
0.00282469 -0.01483036 0.00279851
19.24084294 3.24169899 25.47271697
0.00025573 -0.00008795 0.00067243
0.01490648 -0.00023058 0.00392600
-9.67066934 1.14856949 1.42580736
0.00069134 -0.00068685 -0.00027591
-0.01138718 0.00421520 0.00674600
-9.75800768 4.04638299 2.35910863
-0.00009864 -0.00072705 0.00069277
-0.00414351 -0.01098443 -0.00257427
-5.27299922 13.95520461 -8.89110357
0.00115285 -0.00112476 0.00050250
-0.01283815 -0.00163662 -0.00300428
-7.91031604 12.46052114 -8.89434425
0.00085034 -0.00016453 0.00003132
0.01533566 0.00711693 -0.01090817
0.47912814 11.89673347 -6.92824442
0.00148365 -0.00064488 0.00039389
0.00537316 0.01499707 0.00977128
2.05178225 14.61909061 -6.49055047
-0.00038882 0.00001093 -0.00049580
-0.01145949 -0.02443901 0.00720069
-10.32323000 8.43304749 -12.86538551
-0.00110744 0.00058936 0.00034967
0.00686542 -0.02839559 -0.00692178
-12.10837090 9.98925442 -11.20182701
0.00013373 -0.00045314 0.00049838
0.01127362 -0.00086919 -0.00748166
7.42224411 4.97857252 12.94551842
-0.00021605 0.00112929 -0.00006631
0.01747612 -0.00939900 0.01463221
9.77760217 3.85515921 14.45924840
-0.00036016 -0.00019940 0.00098581
0.00731287 0.00418281 -0.01700519
-14.05539900 10.25286803 -7.59895440
-0.00053766 0.00004143 0.00127082
-0.00970456 0.00087711 -0.00733431
-16.86891150 10.91789078 -7.99739865
-0.00036068 0.00012381 0.00016387
0.00351415 -0.00958002 -0.00258798
8.98417281 9.54945568 -2.35244136
-0.00002228 -0.00082860 -0.00021680
0.00836821 -0.02157239 0.00372881
7.92443948 8.23157549 -4.50556350
-0.00052774 0.00082397 -0.00098302
0.00282378 -0.02255076 0.00666009
14.45299859 -18.98340415 -27.54375104
0.00027634 0.00041199 -0.00026055
-0.00016052 0.00614727 0.00039283
13.49341774 -20.34777644 -25.13425353
-0.00030012 -0.00048911 -0.00057570
0.00369548 0.00623579 0.00124854
5.46327661 5.44869041 2.15314518
-0.00020763 -0.00129757 0.00017044
-0.01312115 -0.00162741 0.00849904
6.03415970 6.95395013 -0.02904026
0.00028310 -0.00059697 -0.00066330
-0.00822091 0.01438527 -0.00758326
19.55803048 -7.18942662 -6.74661408
0.00040474 0.00106683 -0.00015606
-0.01065190 0.02506113 -0.00385763
17.49335552 -5.08189728 -6.23834480
0.00031215 -0.00018207 0.00002584
-0.02296175 0.01471424 0.03268177
-2.64559497 -0.81032774 -0.92348867
0.00027026 -0.00023757 -0.00101664
-0.00166024 0.00292922 0.00794869
-2.02386136 -1.18272840 -3.65306287
-0.00040014 -0.00033300 0.00074212
0.00135290 0.00692558 -0.02721331
3.92564341 -3.52321133 -12.03499928
-0.00003168 0.00047522 -0.00008833
-0.01640337 0.02372908 -0.00604680
1.13485484 -2.69473585 -11.67355201
0.00010264 -0.00021035 -0.00039733
-0.01901479 -0.00178209 0.00427205
19.53462007 8.22368599 -7.65657307
0.00026085 0.00033646 -0.00013501
-0.00172052 -0.01613298 -0.02907120
20.77974547 8.58148743 -5.23637712
0.00021030 -0.00056620 0.00043495
0.03497112 -0.01827088 0.02794514
-7.08701639 4.07246325 9.39251309
0.00050965 -0.00147513 0.00004388
-0.00546497 0.02623185 -0.01937753
-7.81688081 6.59593384 10.74116890
0.00072951 0.00021363 -0.00057337
0.00508862 -0.00243285 -0.01019193
-2.52538221 -17.72367557 11.37073254
0.00047859 -0.00050208 0.00083669
0.00366848 0.00096047 -0.00214845
-2.91781740 -15.11399760 10.20023799
0.00044700 -0.00056493 -0.00028073
0.00626851 -0.00378452 0.00784448
8.58030418 -0.53882565 -2.70251231
-0.00049716 -0.00045913 -0.00068310
-0.02581440 -0.00341738 -0.03507890
7.86592809 1.13177474 -5.16685086
-0.00113101 -0.00031631 -0.00031589
0.00361411 0.01861778 -0.00916149
0.42538311 -11.73112710 1.80505278
-0.00032613 -0.00061518 0.00013362
0.01034000 0.00578695 0.00736936
-0.95466856 -10.46468376 -0.36752347
0.00012030 -0.00055239 -0.00020872
0.00177595 0.00664822 -0.00127130
-19.73790953 -1.62222719 7.01448210
-0.00007896 -0.00027744 -0.00079783
-0.00039597 0.01624734 -0.01435114
-21.02555796 0.52166941 5.40891875
-0.00003358 -0.00067609 0.00088291
-0.01280496 0.01363788 0.00395170
-4.86193088 8.32218661 -26.03303502
-0.00162964 -0.00039225 -0.00071027
0.01626062 -0.00294369 0.01168779
-5.88732570 7.21457151 -23.26310716
-0.00014699 0.00042765 -0.00102775
0.02794074 -0.01118559 0.04357989
4.24540207 1.36356482 -2.69266192
-0.00021210 0.00161192 0.00047879
0.01352757 -0.01227645 -0.00977801
1.64415175 0.43588535 -1.64218378
0.00046871 -0.00005754 0.00107253
0.01445520 0.01077936 -0.00566397
14.94437538 7.39446598 5.76463096
-0.00044210 -0.00006654 -0.00049344
-0.00021568 0.00809565 -0.01948081
15.92335520 9.86697980 4.43281842
-0.00015588 0.00026829 -0.00059325
-0.02427050 -0.03362092 -0.01488089
1.45258307 -11.77112473 -13.78800971
0.00011054 -0.00002933 -0.00018813
0.00121680 0.00350891 0.00269011
-13.56320938 14.53750310 22.65454482
-0.00000082 0.00016456 0.00014420
0.00198218 -0.00408801 0.00281487
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02397229
0.34105337
454.43652107
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0537063953
ExchangeOperator: pair fraction: ispin=0: 0.1249756625
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3479628836 (a.u.)
total exchange computation time: 2.4756600857 s
-154.1516155782
-931.36052425
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0537063953
ExchangeOperator: pair fraction: ispin=0: 0.1249756625
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3474843979 (a.u.)
total exchange computation time: 2.4757552147 s
-154.1561215322
Anderson extrapolation: theta=1.3638719629 (1.3638719629)
-931.36078562
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0537063953
ExchangeOperator: pair fraction: ispin=0: 0.1249756625
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3467159741 (a.u.)
total exchange computation time: 2.4753899574 s
-154.1631856489
Anderson extrapolation: theta=0.0593617372 (0.0593617372)
-931.36094627
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0537063953
ExchangeOperator: pair fraction: ispin=0: 0.1249756625
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3465798081 (a.u.)
total exchange computation time: 2.4756720066 s
-154.1643749681
Anderson extrapolation: theta=2.1646113488 (2.0000000000)
-931.36095398
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0537063953
ExchangeOperator: pair fraction: ispin=0: 0.1249756625
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3462831198 (a.u.)
total exchange computation time: 2.4739439487 s
-154.1669095057
Anderson extrapolation: theta=0.3329589414 (0.3329589414)
-931.36096355
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0537063953
ExchangeOperator: pair fraction: ispin=0: 0.1249756625
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3461859833 (a.u.)
total exchange computation time: 2.4769659042 s
-154.1676891456
Anderson extrapolation: theta=1.3807617340 (1.3807617340)
-931.36096601
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0537063953
ExchangeOperator: pair fraction: ispin=0: 0.1249756625
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3460810399 (a.u.)
total exchange computation time: 2.4760541916 s
-154.1684746613
Anderson extrapolation: theta=0.4171352584 (0.4171352584)
-931.36096839
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0537063953
ExchangeOperator: pair fraction: ispin=0: 0.1249756625
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3460679879 (a.u.)
total exchange computation time: 2.4756848812 s
-154.1685107550
Anderson extrapolation: theta=0.9681732583 (0.9681732583)
-931.36096917
-23.715307 -127.257783 -243.975001
-138.602921 458.798990 -804.082944
-162.318228 331.541207 -1048.057945
1111.167060
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0537063953
ExchangeOperator: pair fraction: ispin=0: 0.1249756625
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3460789010 (a.u.)
total exchange computation time: 2.4757101536 s
678.47991639
-1083.47954884
89.85282240
-389.14596533
-174.72211538
78.16406138
551.60419304
0.00000000
-931.36096966
-9.25781946 -5.45713600 9.57690490
-0.00006218 0.00029158 0.00011431
-0.00070689 -0.00371686 0.00232030
-13.87585554 5.11003075 9.08060753
0.00003170 -0.00011204 -0.00014702
0.00850307 0.00196260 -0.00304285
-15.77267952 1.64883031 2.98933129
0.00007600 -0.00016310 -0.00017085
-0.04107284 -0.01063852 0.00492130
2.45988751 -19.68866621 13.17617165
0.00015118 -0.00005752 0.00040546
-0.05001611 0.02849197 -0.03839662
9.49836541 20.77497490 0.56172574
0.00046642 0.00014479 -0.00011188
-0.00854377 0.04588996 -0.01305964
-11.08185816 12.71511540 15.11979012
-0.00004141 -0.00004454 0.00018411
-0.01981610 0.04395839 -0.00204165
-6.02016045 1.15718248 -13.04834741
-0.00008612 -0.00002637 0.00024215
0.00242482 0.00793272 0.01805459
-9.08606611 6.47770845 -6.88463609
0.00026266 0.00030650 0.00007740
0.01304301 0.00017114 -0.01810899
-7.66206004 -3.71376029 18.06944629
0.00023794 0.00008932 0.00006736
0.00825523 0.03184069 -0.01201629
-23.23416824 -7.48589798 -23.35729658
-0.00008280 -0.00032620 -0.00017174
-0.02696699 -0.00422454 -0.01064432
8.09066955 12.89430165 6.48371528
0.00048569 0.00031960 0.00012544
0.01734293 -0.04247745 0.06628491
23.40879840 29.18768436 -3.35765737
-0.00034029 -0.00037623 0.00033022
-0.00403566 0.01806717 -0.00966108
9.12061838 -0.20944214 -14.64185406
0.00039533 0.00027628 0.00009425
0.03285369 -0.00100717 0.00012309
-8.88312183 -0.95537882 12.78667826
-0.00034904 -0.00019687 -0.00019100
-0.02881324 -0.04052190 -0.01943185
-2.04159029 -25.94903078 10.38994235
-0.00032733 0.00001110 0.00034805
0.00992377 -0.00463343 0.01302354
-15.12457911 -4.27525644 -7.23286806
-0.00012684 0.00022958 0.00015444
-0.00693689 -0.00594463 -0.01774013
-19.40277021 -10.96660660 -18.29983911
0.00013707 0.00004445 -0.00003307
-0.01190264 -0.06252481 0.01182919
21.49012439 5.09711551 4.67328707
-0.00050757 0.00022518 0.00001403
0.01566468 0.02231159 -0.01651645
18.83880407 -11.67277917 -13.47294095
0.00086002 0.00000544 0.00014562
0.02223065 -0.01288451 -0.02169799
-2.87366866 -0.15379355 -6.71658617
-0.00035250 -0.00040509 0.00025486
-0.01174093 0.02514675 -0.00694197
-3.99518515 -3.16846643 -17.50409182
0.00034161 -0.00014175 -0.00010984
-0.00126965 0.00092440 0.00608984
14.23896826 16.43876555 -21.22158632
-0.00008977 0.00000292 -0.00011883
-0.01698439 -0.00246425 0.01781824
-14.82034873 17.25720576 -13.19827209
0.00036624 0.00042904 -0.00030707
0.01632981 0.05620587 0.06025969
1.67491576 15.03723552 8.25611058
-0.00010620 -0.00001938 -0.00040326
-0.05086835 0.03289937 -0.00809575
-4.56759519 -9.31885345 3.97589948
0.00024295 0.00018722 -0.00020814
-0.00558521 -0.00343540 0.00599291
2.12351899 -5.22047678 2.38025207
0.00006898 0.00001102 -0.00017766
0.00304366 0.04074165 -0.00350875
9.73159942 7.05353594 4.54804024
-0.00010615 0.00004093 -0.00001373
0.01276154 -0.01152554 0.01135075
-9.16737216 -10.00981399 -2.82495913
-0.00023961 -0.00036294 -0.00000508
0.04374379 -0.03669874 0.00634631
3.56023840 -15.56576648 -12.95776457
0.00010668 -0.00008669 -0.00028013
-0.02334555 0.00286582 0.00042153
3.80568492 -5.72738069 -3.50202580
0.00001624 0.00002870 0.00036722
-0.03838606 0.04219636 -0.04388077
18.45351933 1.85705301 24.58344410
-0.00009063 0.00021613 -0.00006390
-0.01816670 0.00027757 -0.01039540
-8.78388977 2.74224679 1.51237338
-0.00015088 -0.00023021 0.00008825
0.00848840 0.00480166 -0.00849077
-6.37002540 12.85947927 -9.92112108
0.00050654 -0.00026319 0.00025850
-0.01199470 -0.00221916 0.00715927
1.64650031 13.16476122 -7.57478161
-0.00007616 0.00024326 0.00005444
0.00803315 0.00247169 -0.01716959
-10.80716603 10.10366129 -12.51681743
-0.00023916 -0.00009043 -0.00008255
-0.02904042 0.03736337 0.01589371
8.02044786 4.23270049 14.54751442
-0.00019775 -0.00031939 0.00002429
-0.02600338 -0.00193395 0.00128559
-15.64379174 9.54775839 -8.24934943
0.00034004 0.00034816 0.00045620
0.00466079 0.01771079 0.00678211
8.90053284 7.78289370 -2.98133222
-0.00019373 -0.00002419 -0.00001388
-0.02082329 0.03658412 -0.01496362
14.15299890 -20.63691594 -26.81133705
0.00000785 -0.00022105 0.00023421
0.00157858 0.00038312 -0.00452164
4.96005356 7.09149704 1.47399523
-0.00003662 -0.00009164 0.00036950
0.02879640 -0.02332923 -0.00418517
18.46518792 -5.85244298 -7.49837034
-0.00038973 0.00003548 -0.00021770
0.03828796 -0.03711797 -0.02064423
-1.83523205 -1.97530444 -2.05743812
-0.00020275 -0.00019987 -0.00012073
0.00878706 -0.01412233 0.02840888
2.77285890 -2.00242016 -12.01743128
-0.00002427 -0.00016427 -0.00005303
0.04092340 -0.02131195 -0.00153870
19.58693740 9.36541046 -6.28184204
0.00006051 -0.00003646 0.00013634
-0.02260493 0.02682745 0.00591689
-7.44557802 5.94591533 9.04388008
-0.00027915 -0.00022619 -0.00037859
0.00363391 -0.02895045 0.02431990
-1.90801436 -16.01158864 11.48285175
0.00020468 -0.00012525 -0.00021273
-0.01256266 0.00241924 -0.00541920
7.50684871 -0.43265126 -4.36279386
0.00020657 -0.00010527 -0.00049153
0.02131456 -0.01156520 0.05011658
-0.92077350 -12.03166290 0.60818218
-0.00011135 -0.00009565 0.00005946
-0.01381861 -0.01587944 -0.00300051
-19.97626744 -0.91230670 5.24158364
0.00004040 0.00048176 0.00019881
0.01429732 -0.02558018 0.00435344
-6.17791313 7.75853227 -24.88994773
-0.00018143 0.00021127 -0.00041682
-0.04986202 0.02114512 -0.05165430
2.81270958 1.87982853 -1.74884485
-0.00043190 -0.00002875 -0.00021714
-0.03623293 0.00061314 0.01820305
14.87250049 8.26328094 4.07995085
-0.00019088 -0.00002328 0.00016416
0.02124849 0.02329314 0.03122554
-8.26149723 -6.62957239 10.64795045
0.00040710 -0.00112257 0.00005953
-0.00643103 -0.00095085 -0.01459179
-10.01810135 -6.41351326 8.19212398
0.00003645 0.00069878 0.00025053
0.00864138 0.00221029 0.01549352
-13.29324348 6.19408988 7.70963261
0.00049307 -0.00017112 0.00007087
-0.00037123 -0.00101172 -0.00248103
-13.87649175 3.46442575 8.26977509
-0.00018780 -0.00016850 -0.00106935
0.00121041 -0.00454771 0.01043908
-15.04226606 1.82900513 4.66665427
0.00006039 0.00011326 0.00044945
0.00001824 -0.00966259 -0.00465482
-17.44142315 0.68566824 3.28148798
-0.00034454 -0.00025340 0.00031214
0.03628250 0.02243375 0.00178595
3.41274280 -21.03233648 12.64701660
-0.00140335 -0.00015894 -0.00017136
0.02498022 -0.04676710 -0.02486784
3.05200654 -19.35548512 14.75268585
-0.00057310 -0.00013277 -0.00030654
0.02011072 0.02094519 0.06069247
9.43037346 19.12183501 1.19052323
-0.00074365 -0.00019563 -0.00061935
-0.00561067 -0.03481958 0.00498526
8.00180284 21.70782804 1.28646882
0.00050212 -0.00052787 -0.00013122
0.02106886 -0.00541309 0.00206565
-10.38309501 12.91886130 16.91240963
-0.00033142 -0.00060868 0.00052264
-0.00827211 -0.00895462 -0.01958043
-12.00566556 14.36786994 14.75814630
0.00050360 0.00096887 0.00111435
0.02158750 -0.03790611 0.00863839
-5.69025775 -0.00142420 -14.42123409
-0.00061932 -0.00027603 0.00019122
0.00000850 -0.00391213 0.01050315
-6.30926256 0.38185115 -11.36204645
0.00019234 -0.00001826 -0.00090380
-0.00192715 -0.00664174 -0.02805638
-8.49458765 8.07953236 -6.27606860
0.00025525 0.00058881 0.00010232
0.00686683 0.00422093 -0.00320633
-10.19583921 6.08928185 -5.54365887
0.00112378 0.00021778 0.00033006
-0.02226453 -0.00327812 0.01781120
-7.43490580 -1.82575229 18.11293293
-0.00020125 -0.00062358 0.00006718
-0.00720201 -0.03608374 -0.00052214
-7.67259639 -4.26004754 19.80114816
0.00068506 0.00035632 -0.00089623
0.00114905 -0.00044627 0.00965390
-24.81559082 -6.59694236 -23.19643878
0.00029599 0.00106254 0.00009012
-0.00636901 -0.00416022 -0.00297227
-22.13078756 -6.09576069 -23.13797824
-0.00051265 -0.00041843 -0.00047705
0.02206768 0.01109848 0.00167267
8.81488447 12.89014384 4.89155694
-0.00012998 0.00023323 -0.00040090
0.01216443 0.00916206 -0.05041008
9.19822071 11.53736197 7.39960059
0.00009835 -0.00018613 0.00069127
-0.02577447 0.03404501 -0.01474283
23.03146381 27.62770541 -2.56750780
0.00118916 -0.00103152 0.00079906
0.00323620 -0.02596918 0.00283762
23.24145999 30.31614357 -1.93696580
-0.00006809 -0.00033224 0.00000164
-0.00148645 0.00931297 0.00484805
10.97679212 -0.62492574 -14.54990632
0.00075594 -0.00063565 0.00000110
-0.03976086 0.00788854 0.00016726
8.21237457 -1.76018507 -14.20197915
-0.00060192 0.00059873 -0.00079979
0.00612710 -0.00191616 -0.00367071
-9.91783129 -0.89156278 14.26705236
0.00055305 0.00020026 -0.00051850
0.00380559 0.00863528 0.01439062
-9.73747257 -2.45412772 11.93303163
0.00045303 -0.00031592 -0.00093785
0.02803500 0.02830719 0.00609998
-2.81759837 -26.38031130 12.05171438
0.00032699 0.00024964 -0.00008489
0.00167097 0.00019282 -0.01544271
-3.24046620 -25.86339008 9.04306159
0.00031030 0.00015037 -0.00029940
-0.01034378 0.00157551 -0.00332439
-14.56134499 -2.86588765 -6.19274948
-0.00026326 0.00097423 -0.00045509
0.00600931 0.00806622 0.01325200
-16.33818229 -3.40071982 -8.28312369
0.00011638 0.00029812 -0.00076454
0.00088417 -0.00627418 -0.00493176
-18.72515146 -9.39993728 -18.61177378
-0.00133870 0.00011894 -0.00045577
0.02180068 0.05167640 -0.00979631
-18.13272498 -12.22350542 -18.84050131
-0.00061501 -0.00082786 0.00042910
-0.00837706 0.00836594 0.00044627
22.43715086 6.05153802 3.40463068
0.00055767 0.00033301 0.00003107
0.01162745 -0.02309727 -0.00514511
20.56256214 6.57780043 5.08883464
-0.00046655 0.00056438 0.00047389
-0.02504091 0.00628098 0.02344473
17.96464264 -11.11371441 -11.99617120
0.00030144 0.00095970 0.00141818
-0.01805152 0.01275768 0.01026460
18.16181077 -10.81935052 -14.95686729
0.00030967 0.00038048 -0.00006292
-0.00085701 0.00332510 0.00920684
-2.47615863 1.47191917 -7.52074746
0.00022225 -0.00024496 0.00063043
0.00648890 -0.01750752 0.00772012
-4.58566564 0.15555375 -6.10289780
-0.00006912 0.00086340 -0.00008774
0.00447982 -0.00385852 -0.00357071
-2.81414125 -4.48934855 -17.95067964
-0.00029200 0.00041636 -0.00060169
-0.00439039 0.00648824 -0.00428064
-3.68496746 -1.68418069 -18.55575384
0.00021735 0.00027135 -0.00057055
0.00231350 -0.00245523 0.00228274
13.57386805 17.13371282 -19.63110769
0.00030086 0.00097818 0.00018915
0.01481786 0.00064780 -0.01368272
12.66079990 15.68989602 -21.86487703
0.00013116 -0.00015713 -0.00091847
0.00319869 0.00016630 -0.00035498
-13.55752684 17.24965057 -11.77422520
-0.00021683 -0.00018320 0.00044348
-0.02426077 -0.00006435 -0.02549585
-14.62815206 15.66648788 -13.90212488
-0.00014315 0.00063522 0.00001604
0.00187052 -0.05097480 -0.03151877
1.41762407 15.69253637 6.53605146
-0.00005423 0.00058532 0.00007944
0.01722276 -0.01301107 0.00600731
0.13171471 15.98945453 8.96901956
-0.00087875 0.00054137 -0.00106195
0.03183679 -0.02473083 0.00298259
-6.02267728 -8.60999085 3.10408312
0.00141867 0.00064702 -0.00049154
0.00646048 0.00547359 -0.00360437
-3.39117653 -9.91678109 2.70002891
0.00020382 -0.00067086 0.00178680
0.00133888 -0.00277486 -0.00483643
1.73977888 -3.47975885 3.12725723
-0.00065756 -0.00075197 -0.00096428
0.01104049 -0.02986238 -0.00800514
3.18471745 -4.76138664 0.91425817
-0.00128501 0.00115568 0.00153641
-0.00746223 -0.00779572 0.01553604
8.48087944 7.74618992 3.47309201
-0.00117053 0.00069651 -0.00043673
-0.01391338 0.00927778 -0.01270987
11.28468966 8.00225763 4.35095376
0.00028019 0.00017704 -0.00091490
0.00635016 0.00336978 -0.00487279
-8.08806840 -11.59034586 -2.49227468
0.00046180 0.00112187 0.00071322
-0.01562420 0.02491190 -0.01291800
-10.12251278 -9.83708973 -1.32676212
0.00012525 -0.00065180 -0.00002047
-0.02019038 0.00851046 0.01832520
5.37047452 -15.42670059 -12.62390972
-0.00015956 0.00067692 0.00009019
-0.01205561 -0.02028772 0.00291718
2.71534786 -16.99116296 -12.06839425
-0.00113274 -0.00061152 0.00073224
0.02300080 0.02078344 -0.00344065
4.86013643 -5.10901170 -4.93928966
-0.00039669 0.00056261 0.00041539
0.00343490 -0.01314529 0.02360178
4.66371176 -6.80746723 -2.45034485
0.00040510 0.00024758 0.00005630
0.03923270 -0.03247277 0.02291953
16.80733011 2.60124547 24.12278869
-0.00002113 0.00036837 -0.00030464
0.00342683 -0.01477733 0.00319635
19.24513566 3.24037261 25.48292378
0.00031396 -0.00009141 0.00068592
0.01359876 -0.00145957 0.00267383
-9.66064811 1.13839587 1.42187537
0.00064424 -0.00066892 -0.00024782
-0.01166912 0.00456378 0.00700734
-9.75961422 4.03514066 2.36942127
-0.00011696 -0.00077122 0.00068294
-0.00482451 -0.01063692 -0.00223503
-5.25609992 13.93828300 -8.88365819
0.00109959 -0.00113053 0.00049019
-0.01323228 -0.00118775 -0.00301806
-7.89709098 12.45827128 -8.89420876
0.00090846 -0.00013702 -0.00001002
0.01311291 0.00635017 -0.00932843
0.50154748 11.88751982 -6.92203658
0.00150254 -0.00058566 0.00043537
0.00387780 0.01399397 0.01053326
2.04559873 14.61850571 -6.49776678
-0.00043330 -0.00008300 -0.00046128
-0.01031172 -0.02154300 0.00969498
-10.33963127 8.44101781 -12.86035249
-0.00107349 0.00045661 0.00031682
0.00975557 -0.03659035 -0.00916148
-12.10601945 9.98243070 -11.19458060
0.00018076 -0.00045459 0.00046652
0.01174546 0.00015903 -0.00811148
7.41953886 4.99522393 12.94497210
-0.00014080 0.00108646 0.00000032
0.01936159 -0.01156893 0.01798705
9.77242391 3.85229642 14.47351440
-0.00032650 -0.00018239 0.00091521
0.00916118 0.00414272 -0.01755020
-14.06376128 10.25351629 -7.58011687
-0.00057018 0.00004900 0.00124260
-0.00621581 0.00283222 -0.00647910
-16.87421403 10.91945437 -7.99501988
-0.00034341 0.00008255 0.00015298
0.00494267 -0.01061525 -0.00274205
8.98409511 9.53636561 -2.35557911
0.00001256 -0.00090604 -0.00019710
0.00868361 -0.01633225 0.00591251
7.91660995 8.24324397 -4.52010469
-0.00050849 0.00072760 -0.00094329
0.00659559 -0.02462366 0.01278899
14.45713883 -18.97703589 -27.54764720
0.00027307 0.00042574 -0.00025349
-0.00144197 0.00058279 0.00306139
13.48902913 -20.35492194 -25.14285082
-0.00028894 -0.00046148 -0.00056093
0.00177897 0.00728725 0.00598188
5.45976003 5.42917693 2.15596215
-0.00026378 -0.00129260 0.00020014
-0.01436363 0.00406433 0.00604033
6.03815425 6.94543639 -0.03922217
0.00024157 -0.00053720 -0.00068172
-0.01210885 0.01487137 -0.00143101
19.56377524 -7.17265618 -6.74907312
0.00036360 0.00116585 -0.00017085
-0.00948627 0.02340661 -0.00338426
17.49733414 -5.08417741 -6.23695567
0.00021570 -0.00011936 0.00016195
-0.02425262 0.01598271 0.03394364
-2.64159192 -0.81380155 -0.93849466
0.00025762 -0.00021805 -0.00097414
-0.00452671 0.00662738 0.01285393
-2.02982199 -1.18751123 -3.64276504
-0.00039520 -0.00030023 0.00061758
0.00106550 0.00911737 -0.03374799
3.92466554 -3.51535596 -12.03650946
-0.00009515 0.00056691 -0.00011290
-0.01466496 0.02115570 -0.00598456
1.13581178 -2.69794568 -11.67938111
0.00002340 -0.00021869 -0.00037924
-0.01977329 -0.00230214 0.00458395
19.53848014 8.22823850 -7.65948902
0.00025421 0.00027097 -0.00025313
-0.00153115 -0.01592610 -0.02874855
20.78397160 8.57243458 -5.22899660
0.00034503 -0.00063660 0.00054257
0.03098140 -0.01619059 0.02473958
-7.07953917 4.05114010 9.39257752
0.00048450 -0.00135579 -0.00003729
-0.00684200 0.03218563 -0.02035798
-7.80578216 6.59906374 10.73225601
0.00074926 0.00020432 -0.00061221
0.00457759 -0.00212387 -0.00881923
-2.51809101 -17.73117726 11.38321703
0.00049413 -0.00049437 0.00082736
0.00394234 0.00281096 -0.00241753
-2.91092030 -15.12258752 10.19626748
0.00046975 -0.00057895 -0.00025160
0.00486916 -0.00307694 0.00641136
8.57205576 -0.54581738 -2.71383374
-0.00059902 -0.00047154 -0.00082296
-0.02404594 -0.00265439 -0.03338302
7.84907370 1.12760055 -5.17187000
-0.00111383 -0.00023255 -0.00035625
0.00479515 0.02238375 -0.01059136
0.42080809 -11.74017753 1.80728295
-0.00028210 -0.00059045 0.00016477
0.01121294 0.00631798 0.00787768
-0.95280968 -10.47276591 -0.37069316
0.00012745 -0.00052279 -0.00021457
0.00172467 0.00784126 -0.00159472
-19.73910609 -1.62589097 7.00207491
-0.00007925 -0.00021317 -0.00085083
0.00025667 0.01521498 -0.01159164
-21.02645404 0.51194598 5.42228348
-0.00009426 -0.00060873 0.00090033
-0.01689864 0.01933397 0.00457571
-4.88587721 8.31621270 -26.04333085
-0.00155108 -0.00039991 -0.00067105
0.02219605 -0.00080714 0.00751070
-5.88867438 7.22064355 -23.27718793
-0.00002998 0.00037806 -0.00083916
0.02933676 -0.01308912 0.04873623
4.24263512 1.38736744 -2.68577965
-0.00014890 0.00155739 0.00043325
0.01740744 -0.01441803 -0.01251587
1.65162535 0.43535255 -1.62626945
0.00052503 -0.00001894 0.00104801
0.01311403 0.00811753 -0.00633657
14.93773727 7.39371597 5.75663242
-0.00044192 -0.00003564 -0.00056593
0.00030475 0.00703011 -0.01600420
15.92027326 9.86997392 4.42346364
-0.00025569 0.00012954 -0.00065210
-0.02458778 -0.03429773 -0.01392416
1.45424441 -11.77155529 -13.79082447
0.00011097 -0.00002806 -0.00018717
0.00119587 0.00358917 0.00267690
-13.56321822 14.53996435 22.65671274
-0.00000037 0.00016362 0.00014484
0.00191854 -0.00403295 0.00271735
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02374056
0.33722909
449.34085842
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0539970930
ExchangeOperator: pair fraction: ispin=0: 0.1260140617
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3565054230 (a.u.)
total exchange computation time: 2.5532538891 s
-154.1734706202
-931.35818997
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0539970930
ExchangeOperator: pair fraction: ispin=0: 0.1260140617
ExchangeOperator: bisection time: 1.150 s
total exchange = -52.3558490588 (a.u.)
total exchange computation time: 2.5538990498 s
-154.1792612085
Anderson extrapolation: theta=1.3851286252 (1.3851286252)
-931.35847618
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0539970930
ExchangeOperator: pair fraction: ispin=0: 0.1260140617
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3547934055 (a.u.)
total exchange computation time: 2.5542860031 s
-154.1882915471
Anderson extrapolation: theta=0.0727208436 (0.0727208436)
-931.35866366
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0539970930
ExchangeOperator: pair fraction: ispin=0: 0.1260140617
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3546021905 (a.u.)
total exchange computation time: 2.5530219078 s
-154.1897816512
Anderson extrapolation: theta=2.6027665608 (2.0000000000)
-931.35867770
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0539970930
ExchangeOperator: pair fraction: ispin=0: 0.1260140617
ExchangeOperator: bisection time: 1.150 s
total exchange = -52.3541821534 (a.u.)
total exchange computation time: 2.5539028645 s
-154.1929420863
Anderson extrapolation: theta=0.6184255308 (0.6184255308)
-931.35869982
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0539970930
ExchangeOperator: pair fraction: ispin=0: 0.1260140617
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3539337753 (a.u.)
total exchange computation time: 2.5544209480 s
-154.1946864274
Anderson extrapolation: theta=0.8178951632 (0.8178951632)
-931.35870959
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0539970930
ExchangeOperator: pair fraction: ispin=0: 0.1260140617
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3537719078 (a.u.)
total exchange computation time: 2.5534400940 s
-154.1956872193
Anderson extrapolation: theta=0.7278762737 (0.7278762737)
-931.35871573
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0539970930
ExchangeOperator: pair fraction: ispin=0: 0.1260140617
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3537018414 (a.u.)
total exchange computation time: 2.5541930199 s
-154.1959718703
Anderson extrapolation: theta=0.5719256008 (0.5719256008)
-931.35871884
-23.713541 -127.274688 -243.999523
-138.608866 458.785395 -804.102208
-162.322407 331.510708 -1048.101731
1111.199870
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0539970930
ExchangeOperator: pair fraction: ispin=0: 0.1260140617
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3537002043 (a.u.)
total exchange computation time: 2.5464720726 s
678.59850901
-1083.72174380
89.83808653
-388.97948966
-174.74038200
78.29844572
551.60419304
0.00000000
-931.35872012
-9.25875484 -5.45277660 9.57862852
-0.00006123 0.00028876 0.00011700
0.00440481 -0.00724086 0.00814074
-13.87534718 5.10835777 9.07839050
0.00003607 -0.00011183 -0.00014898
0.00846932 -0.00117508 -0.00457457
-15.77169794 1.64634280 2.98678750
0.00005479 -0.00016864 -0.00016718
-0.04140043 -0.01091187 0.00936827
2.46196234 -19.68941905 13.18210548
0.00012389 -0.00004211 0.00038391
-0.05612320 0.03140492 -0.04539898
9.50532873 20.77732382 0.55999719
0.00046227 0.00016740 -0.00011841
-0.00759933 0.04199811 -0.01232714
-11.08255577 12.71461681 15.12254389
-0.00005173 -0.00002136 0.00018330
-0.02032193 0.04617889 -0.00110256
-6.02144284 1.15681757 -13.04464553
-0.00008449 -0.00002188 0.00024967
0.00390892 0.00953353 0.01117763
-9.08207583 6.48230661 -6.88354492
0.00026989 0.00030720 0.00006781
0.01506053 0.00254154 -0.01919791
-7.65845917 -3.71229774 18.07041035
0.00024204 0.00010512 0.00005934
0.00771217 0.02961215 -0.01917583
-23.23551422 -7.49080729 -23.35991366
-0.00009780 -0.00032817 -0.00017718
-0.03135682 -0.00342896 -0.01050972
8.09802180 12.89893182 6.48585256
0.00049494 0.00029762 0.00015908
0.01860926 -0.04298877 0.06453240
23.40367849 29.18211063 -3.35274140
-0.00034252 -0.00036819 0.00032529
-0.00465032 0.01320693 -0.00950281
9.12667506 -0.20530180 -14.64043989
0.00041278 0.00027563 0.00009424
0.03501228 -0.00150980 -0.00013780
-8.88846859 -0.95848820 12.78373837
-0.00036264 -0.00021765 -0.00020247
-0.02407097 -0.04026682 -0.02518213
-2.04646200 -25.94888223 10.39521330
-0.00032158 0.00000907 0.00035342
0.01244550 -0.00325640 0.00787146
-15.12650852 -4.27183563 -7.23061996
-0.00013083 0.00022715 0.00014495
-0.00855655 -0.00351956 -0.01916124
-19.40076003 -10.96618105 -18.30028957
0.00013018 0.00001141 -0.00002654
-0.01490411 -0.06596039 0.01357577
21.48257125 5.10057933 4.67343375
-0.00049933 0.00023776 0.00000515
0.01637866 0.02658146 -0.01801856
18.85179006 -11.67274730 -13.47084039
0.00086953 0.00000029 0.00013633
0.01478156 -0.00712503 -0.01442996
-2.87900152 -0.15977285 -6.71279012
-0.00035827 -0.00039185 0.00025109
-0.01068497 0.02633301 -0.00771272
-3.99006584 -3.17058912 -17.50571597
0.00034031 -0.00013941 -0.00010699
-0.00378716 0.00819086 0.00501891
14.23755627 16.43879988 -21.22330011
-0.00009861 0.00000192 -0.00010922
-0.01739154 -0.00141601 0.01954941
-14.81479215 17.26385821 -13.20264570
0.00037461 0.00045847 -0.00027565
0.01621917 0.05822313 0.06190846
1.67312654 15.03707173 8.25003045
-0.00013302 -0.00000205 -0.00040688
-0.05342640 0.03449044 -0.00598181
-4.56397250 -9.31605846 3.97280054
0.00023966 0.00018566 -0.00020293
-0.00719526 -0.00261386 0.01427390
2.12456543 -5.22015434 2.37757370
0.00006887 0.00003069 -0.00017738
-0.00347522 0.03576143 0.00457319
9.73005636 7.05410541 4.54787815
-0.00010072 0.00003655 -0.00000969
0.00837653 -0.00550194 0.00432641
-9.17079759 -10.01539959 -2.82501090
-0.00021731 -0.00038110 -0.00000195
0.04299117 -0.03393295 0.00582118
3.56174861 -15.56705579 -12.96196496
0.00009324 -0.00008668 -0.00027906
-0.02891627 -0.00281676 0.00375211
3.80578046 -5.72678742 -3.49668681
-0.00000371 0.00005040 0.00034481
-0.03919999 0.04217038 -0.04325288
18.45208981 1.86029596 24.58244550
-0.00009969 0.00021653 -0.00006900
-0.01706093 0.00130901 -0.00942958
-8.78612024 2.73881213 1.51366434
-0.00014628 -0.00022794 0.00008372
0.00942167 0.00402777 -0.00912310
-6.36247358 12.85552291 -9.91721604
0.00050103 -0.00026423 0.00026161
-0.00941385 -0.00183247 0.00493564
1.64538885 13.16841965 -7.57403117
-0.00007199 0.00024397 0.00004471
0.00820090 0.00028013 -0.02069249
-10.81086550 10.10244889 -12.51799442
-0.00025474 -0.00006967 -0.00007372
-0.03151975 0.04336723 0.01844174
8.01738135 4.22790219 14.54788378
-0.00021190 -0.00031992 0.00002438
-0.02904749 -0.00013006 -0.00094591
-15.63867320 9.55304910 -8.24248023
0.00034122 0.00035680 0.00045964
-0.00005059 0.01588792 0.00658656
8.89754655 7.78267198 -2.98159808
-0.00020529 -0.00000654 -0.00002330
-0.02414125 0.03206187 -0.02168408
14.15312273 -20.64023016 -26.80784139
0.00000946 -0.00021974 0.00022995
0.00467344 0.00471049 -0.01201735
4.95961534 7.09003239 1.47952163
-0.00002059 -0.00010513 0.00036649
0.03354664 -0.02911425 -0.00753475
18.45948961 -5.85205401 -7.50171540
-0.00037026 0.00001677 -0.00022843
0.03744918 -0.03562460 -0.02108280
-1.83823936 -1.97835701 -2.05913953
-0.00019745 -0.00020855 -0.00010583
0.01181165 -0.01963474 0.02955827
2.77265272 -2.00496646 -12.01823267
-0.00000378 -0.00017435 -0.00005375
0.03874857 -0.01788520 -0.00125863
19.58775788 9.36496711 -6.27977405
0.00005002 -0.00002360 0.00014005
-0.01818827 0.02318453 0.00849099
-7.44975126 5.94241074 9.03829510
-0.00027685 -0.00024245 -0.00036639
0.00532991 -0.03427226 0.02309339
-1.90499259 -16.01345804 11.47963995
0.00019855 -0.00012467 -0.00021500
-0.01128635 -0.00015603 -0.00341716
7.51002953 -0.43427491 -4.36997354
0.00021679 -0.00011199 -0.00046607
0.01839609 -0.01457694 0.04889529
-0.92249706 -12.03315896 0.60906252
-0.00011860 -0.00010424 0.00005797
-0.01436103 -0.01751395 -0.00278973
-19.97560621 -0.90517903 5.24458253
0.00004853 0.00046768 0.00020000
0.01729124 -0.02915538 0.00029167
-6.18082696 7.76178286 -24.89639930
-0.00020877 0.00022188 -0.00044283
-0.05643475 0.02013870 -0.04946684
2.80609126 1.87939965 -1.75203171
-0.00045095 -0.00002716 -0.00020712
-0.03784063 0.00555719 0.02074312
14.86971929 8.26302160 4.08253377
-0.00018012 -0.00001090 0.00017897
0.02057846 0.02483288 0.02634391
-8.25558773 -6.64644011 10.64839629
0.00037411 -0.00111679 -0.00000667
-0.00971898 0.00377932 -0.01781680
-10.01728985 -6.40296378 8.19635664
0.00006861 0.00070515 0.00030879
0.00710373 0.00090544 0.01302493
-13.28585874 6.19149204 7.71061969
0.00049167 -0.00017413 0.00006025
-0.00031651 -0.00046213 -0.00271854
-13.87927171 3.46175885 8.25405477
-0.00018276 -0.00018135 -0.00102267
0.00125783 -0.00174285 0.01241168
-15.04135960 1.83040796 4.67325333
0.00005759 0.00007312 0.00042250
-0.00139001 -0.00998757 -0.00853541
-17.44547950 0.68255468 3.28622485
-0.00019325 -0.00016012 0.00031854
0.03777687 0.02322869 0.00134683
3.39245799 -21.03615373 12.64368416
-0.00129613 -0.00035804 -0.00027509
0.02750457 -0.05069277 -0.02590946
3.04402627 -19.35683486 14.74994758
-0.00048404 -0.00004507 -0.00004274
0.02348794 0.02198743 0.06844040
9.41904684 19.11783353 1.18138568
-0.00076539 -0.00033420 -0.00060142
-0.00503098 -0.03301028 0.00379284
8.00998025 21.69974417 1.28456388
0.00058530 -0.00054641 -0.00012212
0.01964619 -0.00366342 0.00238514
-10.38831979 12.90945670 16.91964923
-0.00036498 -0.00064559 0.00044083
-0.00815408 -0.00911480 -0.02046487
-11.99745009 14.38124142 14.77512629
0.00059252 0.00081025 0.00114874
0.02194004 -0.03974037 0.00819256
-5.69954727 -0.00568456 -14.41804395
-0.00061960 -0.00028993 0.00023434
-0.00014383 -0.00289159 0.01060605
-6.30643652 0.38137378 -11.37646321
0.00018187 -0.00005056 -0.00100423
-0.00319683 -0.00917228 -0.02110384
-8.49054852 8.08849379 -6.27463205
0.00028179 0.00060229 0.00008749
0.00612651 0.00237931 -0.00405483
-10.17966473 6.09244804 -5.53816219
0.00102975 0.00020295 0.00040669
-0.02376514 -0.00398062 0.01970202
-7.43814523 -1.83621176 18.11392462
-0.00022916 -0.00076093 0.00006449
-0.00645871 -0.03114772 -0.00079683
-7.66228529 -4.25471636 19.78800051
0.00068938 0.00034892 -0.00084155
0.00096631 -0.00317675 0.01711522
-24.81134613 -6.58113173 -23.19517803
0.00027296 0.00104079 0.00007735
-0.00490507 -0.00648907 -0.00328144
-22.13780104 -6.10169704 -23.14508278
-0.00041614 -0.00036964 -0.00047025
0.02517189 0.01278486 0.00165544
8.81330745 12.89392298 4.88399876
-0.00008271 0.00026938 -0.00059971
0.01097884 0.00853703 -0.04691138
9.19890617 11.53561324 7.40951789
-0.00000696 -0.00004490 0.00062774
-0.02577870 0.03508712 -0.01635357
23.04940039 27.61143684 -2.55543487
0.00120439 -0.00112937 0.00080708
0.00422112 -0.02192806 0.00108604
23.24039315 30.31144534 -1.93679270
-0.00007478 -0.00029254 0.00002458
-0.00179180 0.01012059 0.00638312
10.98691275 -0.63421883 -14.54988470
0.00058765 -0.00060213 0.00000173
-0.04261731 0.00852234 0.00013922
8.20353359 -1.75126287 -14.21408852
-0.00057541 0.00059054 -0.00081419
0.00684965 -0.00208965 -0.00337461
-9.90941896 -0.88829428 14.25971577
0.00056053 0.00023438 -0.00045069
-0.00014433 0.00806764 0.01880444
-9.72981804 -2.45799910 11.91915086
0.00056573 -0.00020003 -0.00091029
0.02713258 0.02842105 0.00738833
-2.81264234 -26.37656083 12.04996774
0.00032838 0.00024837 -0.00014078
-0.00099109 -0.00081417 -0.01191528
-3.23612860 -25.86108632 9.03846879
0.00026818 0.00015645 -0.00031063
-0.01027642 0.00140180 -0.00217461
-14.56510970 -2.85102698 -6.19916974
-0.00023936 0.00100464 -0.00040205
0.00568907 0.00681643 0.01271156
-16.33640953 -3.39644027 -8.29474296
0.00012377 0.00026910 -0.00078110
0.00273439 -0.00792994 -0.00317232
-18.74456390 -9.39656964 -18.61891049
-0.00124594 0.00033411 -0.00049825
0.02360349 0.05364813 -0.01099909
-18.14220688 -12.23566692 -18.83405117
-0.00064666 -0.00079114 0.00042964
-0.00711630 0.00960568 -0.00018280
22.44587226 6.05582546 3.40493910
0.00059905 0.00023541 0.00001656
0.00862741 -0.02468018 -0.00195822
20.55479650 6.58645857 5.09666136
-0.00056411 0.00058445 0.00056637
-0.02271116 0.00354551 0.02182608
17.96861106 -11.09892799 -11.97458397
0.00023972 0.00100334 0.00143893
-0.01215964 0.00860623 -0.00010879
18.16642954 -10.81354143 -14.95752897
0.00030887 0.00039043 -0.00001925
0.00046723 0.00154382 0.01217048
-2.47262604 1.46770833 -7.51105441
0.00024958 -0.00031749 0.00066174
0.00688683 -0.01799737 0.00760393
-4.58656511 0.16838656 -6.10432324
-0.00005394 0.00084643 -0.00010061
0.00294830 -0.00444974 -0.00273124
-2.81865577 -4.48290431 -17.95983616
-0.00030282 0.00043408 -0.00062160
-0.00090443 0.00218479 -0.00546463
-3.68163625 -1.68018561 -18.56424220
0.00022479 0.00025564 -0.00055642
0.00132530 -0.00523886 0.00463545
13.57883499 17.14840539 -19.62868972
0.00036141 0.00097657 0.00012644
0.01482175 -0.00143418 -0.01701528
12.66286525 15.68754423 -21.87866499
0.00014543 -0.00015427 -0.00091636
0.00378782 0.00122951 0.00138837
-13.56152271 17.24690062 -11.76835428
-0.00031625 -0.00018267 0.00033787
-0.02440574 0.00032398 -0.02620246
-14.63024198 15.67445419 -13.90285013
-0.00013522 0.00042245 -0.00011467
0.00201074 -0.05318099 -0.03246567
1.41733843 15.70091742 6.53742708
0.00001694 0.00053248 0.00009935
0.01761574 -0.01285064 0.00374067
0.11950900 15.99681729 8.95318177
-0.00074446 0.00043697 -0.00104905
0.03390068 -0.02637607 0.00332794
-6.00119922 -8.60011786 3.09659955
0.00143777 0.00067256 -0.00051097
0.00288690 0.00703187 -0.00590737
-3.38807823 -9.92692894 2.72668263
0.00021961 -0.00068682 0.00175433
0.00639252 -0.00503866 -0.01105623
1.73025379 -3.49195354 3.11254767
-0.00061549 -0.00086714 -0.00099104
0.00955127 -0.02651148 -0.00509066
3.16521366 -4.74429033 0.93778034
-0.00129932 0.00112694 0.00157728
0.00045724 -0.00627350 0.00446995
8.46289519 7.75692186 3.46615152
-0.00121208 0.00072553 -0.00047538
-0.00642770 0.00493042 -0.00620768
11.28908707 8.00501647 4.33708093
0.00029983 0.00018708 -0.00093368
0.00326235 0.00154554 -0.00432056
-8.08162017 -11.57275440 -2.48197228
0.00040151 0.00121698 0.00065973
-0.01389010 0.02164179 -0.01326365
-10.12125277 -9.84660592 -1.32650758
0.00004038 -0.00061593 0.00005698
-0.02135450 0.00904823 0.01958414
5.36771166 -15.41716843 -12.62246741
-0.00020662 0.00059285 0.00010303
-0.01098073 -0.02086487 0.00336796
2.69906158 -16.99969889 -12.05751607
-0.00102970 -0.00051398 0.00071054
0.02743654 0.02696315 -0.00718178
4.85429131 -5.10097538 -4.93233552
-0.00038172 0.00050922 0.00051035
0.00389254 -0.01299018 0.02288241
4.67099049 -6.80474855 -2.44879810
0.00056575 0.00011529 0.00015014
0.03940554 -0.03228723 0.02301781
16.80711822 2.60631823 24.11831703
-0.00000640 0.00030845 -0.00029088
0.00378409 -0.01455331 0.00354085
19.25026181 3.23895677 25.49329445
0.00036654 -0.00010013 0.00069396
0.01213866 -0.00280905 0.00126419
-9.65134203 1.12850195 1.41837283
0.00059620 -0.00064943 -0.00021873
-0.01184650 0.00497691 0.00723145
-9.76151644 4.02324643 2.37959693
-0.00013812 -0.00081368 0.00067462
-0.00553184 -0.01014816 -0.00183971
-5.24001157 13.92128859 -8.87639778
0.00104508 -0.00113422 0.00047806
-0.01344859 -0.00061850 -0.00292271
-7.88306229 12.45641060 -8.89464498
0.00095659 -0.00011297 -0.00004436
0.01044712 0.00541941 -0.00748030
0.52420447 11.87916380 -6.91518319
0.00151534 -0.00053078 0.00047987
0.00238752 0.01286972 0.01124914
2.03878323 14.61660051 -6.50438891
-0.00047275 -0.00016413 -0.00041613
-0.00899926 -0.01816722 0.01240639
-10.35543466 8.44674564 -12.85588094
-0.00102868 0.00029306 0.00027541
0.01217970 -0.04346504 -0.01111079
-12.10294817 9.97561672 -11.18783132
0.00022916 -0.00045191 0.00043272
0.01194682 0.00115101 -0.00843414
7.41802021 5.01116632 12.94552813
-0.00005859 0.00103523 0.00007940
0.02088148 -0.01351013 0.02072099
9.76780710 3.84968752 14.48670481
-0.00028612 -0.00016536 0.00084270
0.01060460 0.00419206 -0.01794812
-14.07250451 10.25433813 -7.56167642
-0.00058705 0.00006474 0.00121893
-0.00204146 0.00487066 -0.00510791
-16.87921365 10.92036738 -7.99280916
-0.00032102 0.00003783 0.00014187
0.00601378 -0.01127493 -0.00269768
8.98454959 9.52227459 -2.35835450
0.00004860 -0.00096077 -0.00016839
0.00895943 -0.01046101 0.00814570
7.90918465 8.25340337 -4.53386209
-0.00047646 0.00062482 -0.00088304
0.00908719 -0.02568612 0.01670186
14.46119070 -18.97063191 -27.55135574
0.00026472 0.00041756 -0.00023571
-0.00264400 -0.00458604 0.00564325
13.48474955 -20.36162083 -25.15108150
-0.00028562 -0.00042958 -0.00052692
-0.00015401 0.00832775 0.01066490
5.45536316 5.40991253 2.15914931
-0.00032451 -0.00126519 0.00022010
-0.01536448 0.00935292 0.00373116
6.04140669 6.93783406 -0.04949178
0.00018502 -0.00047563 -0.00067598
-0.01557301 0.01527040 0.00424033
19.56893862 -7.15445124 -6.75173957
0.00032812 0.00125710 -0.00018318
-0.00788524 0.02126137 -0.00264978
17.49982640 -5.08547801 -6.23348626
0.00011612 -0.00005319 0.00030033
-0.02449292 0.01640666 0.03379431
-2.63786631 -0.81686919 -0.95271289
0.00023355 -0.00018371 -0.00091215
-0.00725565 0.01018029 0.01749210
-2.03571731 -1.19173530 -3.63453549
-0.00039127 -0.00025949 0.00046853
0.00085898 0.01082612 -0.03921480
3.92278891 -3.50620404 -12.03838642
-0.00015047 0.00064677 -0.00013720
-0.01241439 0.01793744 -0.00590707
1.13555689 -2.70129659 -11.68492927
-0.00005757 -0.00022859 -0.00036019
-0.01986264 -0.00254496 0.00474168
19.54224638 8.23181497 -7.66416685
0.00024853 0.00020780 -0.00036785
-0.00125015 -0.01499441 -0.02741089
20.79009646 8.56238947 -5.22009990
0.00046166 -0.00069735 0.00063529
0.02611046 -0.01354725 0.02064662
-7.07248127 4.03178948 9.39139430
0.00045405 -0.00121437 -0.00012192
-0.00806587 0.03704025 -0.02106696
-7.79440297 6.60206348 10.72280263
0.00076692 0.00019646 -0.00064485
0.00406427 -0.00172562 -0.00716063
-2.51055820 -17.73850668 11.39555335
0.00051074 -0.00047925 0.00081690
0.00418625 0.00458959 -0.00270207
-2.90372478 -15.13136601 10.19268990
0.00048646 -0.00058978 -0.00022877
0.00330893 -0.00222761 0.00476479
8.56233365 -0.55297178 -2.72720108
-0.00069262 -0.00048082 -0.00095429
-0.02177264 -0.00188715 -0.03090627
7.83251318 1.12479817 -5.17753825
-0.00109237 -0.00013519 -0.00040149
0.00570769 0.02527381 -0.01155632
0.41692026 -11.74884075 1.80999592
-0.00023523 -0.00056375 0.00019737
0.01172650 0.00675209 0.00807937
-0.95084509 -10.48036750 -0.37396058
0.00013440 -0.00048870 -0.00022154
0.00167564 0.00884881 -0.00181677
-19.74028691 -1.62862229 6.98895731
-0.00007674 -0.00015368 -0.00089173
0.00096796 0.01390808 -0.00843009
-21.02838577 0.50340745 5.43592863
-0.00017066 -0.00051972 0.00092021
-0.02049746 0.02423774 0.00515839
-4.90846323 8.31018932 -26.05316638
-0.00144834 -0.00039885 -0.00064943
0.02809555 0.00132438 0.00307081
-5.88822511 7.22591341 -23.28828184
0.00009174 0.00032235 -0.00063451
0.03024618 -0.01418104 0.05143846
4.24093502 1.41028644 -2.67966443
-0.00007147 0.00149506 0.00037785
0.02049397 -0.01609170 -0.01460117
1.65990266 0.43531725 -1.61074347
0.00057528 0.00000810 0.00102100
0.01148489 0.00511801 -0.00688533
14.93111784 7.39339681 5.74765304
-0.00043958 -0.00000968 -0.00062317
0.00083742 0.00567589 -0.01201602
15.91568442 9.87086606 4.41325551
-0.00035583 -0.00001048 -0.00070667
-0.02442890 -0.03424360 -0.01279066
1.45591216 -11.77196659 -13.79362485
0.00011139 -0.00002676 -0.00018622
0.00115099 0.00367121 0.00265260
-13.56322038 14.54241157 22.65889012
0.00000007 0.00016269 0.00014546
0.00181287 -0.00398655 0.00257680
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02465762
0.33406250
445.12153751
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0537063953
ExchangeOperator: pair fraction: ispin=0: 0.1250621958
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3614991000 (a.u.)
total exchange computation time: 2.6012649536 s
-154.1961587242
-931.35561385
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0537063953
ExchangeOperator: pair fraction: ispin=0: 0.1250621958
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3608945354 (a.u.)
total exchange computation time: 2.6002330780 s
-154.2021083464
Anderson extrapolation: theta=1.3911040769 (1.3911040769)
-931.35591198
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0537063953
ExchangeOperator: pair fraction: ispin=0: 0.1250621958
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3600192584 (a.u.)
total exchange computation time: 2.6029989719 s
-154.2108257005
Anderson extrapolation: theta=0.0755774181 (0.0755774181)
-931.35610649
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0537063953
ExchangeOperator: pair fraction: ispin=0: 0.1250621958
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3599369845 (a.u.)
total exchange computation time: 2.6030480862 s
-154.2118194462
Anderson extrapolation: theta=2.5525985786 (2.0000000000)
-931.35612046
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0537063953
ExchangeOperator: pair fraction: ispin=0: 0.1250621958
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3597962266 (a.u.)
total exchange computation time: 2.6014840603 s
-154.2136712600
Anderson extrapolation: theta=0.5614760054 (0.5614760054)
-931.35614104
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0537063953
ExchangeOperator: pair fraction: ispin=0: 0.1250621958
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3597616443 (a.u.)
total exchange computation time: 2.6028559208 s
-154.2143418584
Anderson extrapolation: theta=0.7852141457 (0.7852141457)
-931.35614860
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0537063953
ExchangeOperator: pair fraction: ispin=0: 0.1250621958
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3597857058 (a.u.)
total exchange computation time: 2.6015138626 s
-154.2144106933
Anderson extrapolation: theta=0.6821722481 (0.6821722481)
-931.35615285
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0537063953
ExchangeOperator: pair fraction: ispin=0: 0.1250621958
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3598455875 (a.u.)
total exchange computation time: 2.6011781693 s
-154.2140571137
Anderson extrapolation: theta=0.5844231356 (0.5844231356)
-931.35615468
-23.706026 -127.291268 -244.024654
-138.611822 458.769793 -804.121849
-162.317848 331.478524 -1048.146503
1111.231833
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0537063953
ExchangeOperator: pair fraction: ispin=0: 0.1250621958
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3599096056 (a.u.)
total exchange computation time: 2.6014511585 s
678.71312022
-1083.94230617
89.82125832
-388.83028005
-174.75803803
78.41585602
551.60419304
0.00000000
-931.35615531
-9.25965624 -5.44847306 9.58041495
-0.00005770 0.00028428 0.00012263
0.00930225 -0.01020411 0.01375643
-13.87477348 5.10667573 9.07613817
0.00004039 -0.00011319 -0.00015171
0.00835088 -0.00411660 -0.00604731
-15.77103575 1.64377111 2.98431598
0.00003363 -0.00017421 -0.00016131
-0.04087982 -0.01073737 0.01343841
2.46360420 -19.68992962 13.18768907
0.00009427 -0.00002565 0.00035940
-0.05906374 0.03260211 -0.04994658
9.51223343 20.77999675 0.55817354
0.00045868 0.00018751 -0.00012446
-0.00635612 0.03623606 -0.01120543
-11.08341016 12.71447447 15.12528915
-0.00006221 0.00000266 0.00018292
-0.02041769 0.04724247 -0.00036108
-6.02269507 1.15652622 -13.04085741
-0.00008207 -0.00001647 0.00025344
0.00548350 0.01147579 0.00347912
-9.07796936 6.48692438 -6.88260186
0.00027793 0.00030906 0.00005788
0.01620604 0.00470693 -0.01939240
-7.65479879 -3.71060673 18.07122647
0.00024582 0.00011941 0.00004773
0.00696626 0.02597196 -0.02598165
-23.23710211 -7.49574306 -23.36261183
-0.00011483 -0.00032955 -0.00018250
-0.03489457 -0.00192579 -0.01020580
8.10551761 12.90323034 6.48848769
0.00050487 0.00027560 0.00019114
0.02001059 -0.04267117 0.06012677
23.39852270 29.17663878 -3.34789875
-0.00034508 -0.00036278 0.00032059
-0.00527347 0.00779747 -0.00875681
9.13300185 -0.20117312 -14.63902678
0.00043102 0.00027475 0.00009410
0.03590177 -0.00192238 -0.00041033
-8.89400106 -0.96190822 12.78060420
-0.00037371 -0.00023805 -0.00021670
-0.01897143 -0.03908313 -0.03017526
-2.05123770 -25.94875879 10.40054497
-0.00031457 0.00000778 0.00035595
0.01481053 -0.00172817 0.00196194
-15.12850395 -4.26844197 -7.22851969
-0.00013555 0.00022603 0.00013483
-0.00982366 -0.00083418 -0.02017245
-19.39886484 -10.96626436 -18.30063529
0.00012201 -0.00002252 -0.00001923
-0.01686561 -0.06597057 0.01484125
21.47514447 5.10424823 4.67344143
-0.00049085 0.00025253 -0.00000436
0.01658882 0.03087119 -0.01894592
18.86489008 -11.67277040 -13.46885116
0.00087531 -0.00000195 0.00013071
0.00769765 -0.00159786 -0.00739883
-2.88441682 -0.16554900 -6.70905356
-0.00036348 -0.00037818 0.00024699
-0.00956185 0.02683620 -0.00823880
-3.98497574 -3.17264862 -17.50730140
0.00033768 -0.00013336 -0.00010463
-0.00644497 0.01532118 0.00415827
14.23601010 16.43882328 -21.22486307
-0.00010754 0.00000142 -0.00009888
-0.01737054 -0.00053418 0.02066405
-14.80911044 17.27095984 -13.20654170
0.00038282 0.00048818 -0.00024395
0.01571526 0.05733001 0.06136783
1.67092516 15.03717402 8.24390417
-0.00016089 0.00001589 -0.00040938
-0.05493292 0.03526798 -0.00374903
-4.56040532 -9.31328364 3.96981173
0.00023554 0.00018454 -0.00019353
-0.00884214 -0.00172863 0.02226475
2.12558506 -5.21955601 2.37493060
0.00006535 0.00004743 -0.00017281
-0.01021066 0.02931459 0.01320818
9.72857793 7.05463244 4.54774943
-0.00009748 0.00003527 -0.00000923
0.00419438 0.00051864 -0.00251612
-9.17389135 -10.02124696 -2.82501776
-0.00019572 -0.00039760 0.00000107
0.04093898 -0.03021658 0.00594233
3.56303575 -15.56836683 -12.96613640
0.00007710 -0.00008933 -0.00027642
-0.03386638 -0.00749843 0.00653539
3.80557358 -5.72586883 -3.49168150
-0.00002372 0.00007155 0.00032328
-0.03862192 0.04007683 -0.04046543
18.45052867 1.86354901 24.58137416
-0.00010805 0.00021745 -0.00007354
-0.01547330 0.00226092 -0.00822591
-8.78827804 2.73540854 1.51488492
-0.00014122 -0.00022612 0.00007887
0.01022984 0.00305337 -0.00971829
-6.35499440 12.85155240 -9.91327292
0.00049695 -0.00026507 0.00026347
-0.00647016 -0.00144250 0.00231092
1.64434065 13.17208025 -7.57344036
-0.00006776 0.00024345 0.00003314
0.00822782 -0.00228078 -0.02427461
-10.81480813 10.10157106 -12.51902913
-0.00027131 -0.00004634 -0.00006378
-0.03294167 0.04736370 0.02021592
8.01409074 4.22310290 14.54824584
-0.00022737 -0.00031962 0.00002344
-0.03108629 0.00128733 -0.00270755
-15.63355505 9.55846238 -8.23556022
0.00033996 0.00036456 0.00046285
-0.00485962 0.01427977 0.00587756
8.89437402 7.78269762 -2.98203123
-0.00021849 0.00000858 -0.00003616
-0.02718702 0.02673185 -0.02830748
14.15328261 -20.64350805 -26.80443844
0.00001262 -0.00021630 0.00022196
0.00761200 0.00865055 -0.01907059
4.95943593 7.08834314 1.48498989
-0.00000234 -0.00012141 0.00036186
0.03740481 -0.03419299 -0.01047036
18.45408021 -5.85193987 -7.50522310
-0.00035165 -0.00000079 -0.00023905
0.03491040 -0.03267395 -0.02022925
-1.84115554 -1.98156105 -2.06061291
-0.00019072 -0.00021984 -0.00009062
0.01433918 -0.02424672 0.02959252
2.77274548 -2.00765075 -12.01904377
0.00001523 -0.00018255 -0.00005428
0.03517350 -0.01398699 -0.00081255
19.58843805 9.36470261 -6.27764056
0.00004197 -0.00001292 0.00014500
-0.01310575 0.01832229 0.01075041
-7.45388338 5.93864176 9.03288827
-0.00027372 -0.00026117 -0.00035498
0.00682080 -0.03849653 0.02130193
-1.90205789 -16.01532864 11.47640178
0.00019314 -0.00012541 -0.00021619
-0.00975565 -0.00271799 -0.00120782
7.51335227 -0.43601102 -4.37677602
0.00022540 -0.00011996 -0.00044167
0.01509216 -0.01641171 0.04598482
-0.92433141 -12.03479014 0.60992133
-0.00012601 -0.00011356 0.00005664
-0.01447104 -0.01874190 -0.00237375
-19.97481159 -0.89827629 5.24758367
0.00005797 0.00045214 0.00019902
0.01942970 -0.03129289 -0.00410554
-6.18417615 7.76518882 -24.90323249
-0.00023916 0.00023164 -0.00046694
-0.06174013 0.01779330 -0.04431410
2.79918102 1.87901364 -1.75505855
-0.00047043 -0.00002307 -0.00019605
-0.03790275 0.01037018 0.02230841
14.86709684 8.26295384 4.08531992
-0.00016986 0.00000210 0.00019107
0.01932022 0.02574624 0.02069675
-8.25027386 -6.66307621 10.64775021
0.00032854 -0.00109243 -0.00008496
-0.01258783 0.00814910 -0.02050208
-10.01604299 -6.39235881 8.20138755
0.00009408 0.00070582 0.00035624
0.00536536 -0.00057849 0.01020230
-13.27849339 6.18886587 7.71144016
0.00049044 -0.00017498 0.00004873
-0.00028653 0.00004548 -0.00291977
-13.88197459 3.45898513 8.23909513
-0.00017749 -0.00018302 -0.00096809
0.00132364 0.00092777 0.01430232
-15.04053833 1.83119869 4.67932929
0.00004941 0.00003179 0.00038036
-0.00261521 -0.01024271 -0.01209440
-17.44722066 0.68086471 3.29104427
-0.00003761 -0.00006458 0.00032326
0.03841057 0.02353962 0.00096138
3.37385883 -21.04307775 12.63876382
-0.00118221 -0.00056807 -0.00038079
0.02825993 -0.05211519 -0.02582882
3.03748548 -19.35683708 14.75140376
-0.00038374 0.00004508 0.00024549
0.02560709 0.02214055 0.07264967
9.40741188 19.11180897 1.17248057
-0.00078446 -0.00046240 -0.00058934
-0.00430740 -0.02974264 0.00211897
8.01936170 21.69143578 1.28280511
0.00066183 -0.00055739 -0.00011141
0.01781712 -0.00171267 0.00286073
-10.39404431 12.89949348 16.92563462
-0.00039775 -0.00068299 0.00035607
-0.00788887 -0.00919189 -0.02102965
-11.98789000 14.39217736 14.79260838
0.00068174 0.00064610 0.00118077
0.02173671 -0.04061156 0.00749066
-5.70884561 -0.01012214 -14.41420381
-0.00062043 -0.00029973 0.00027760
-0.00026402 -0.00190354 0.01056818
-6.30380641 0.38033427 -11.39217334
0.00016597 -0.00009386 -0.00107453
-0.00458697 -0.01202236 -0.01330651
-8.48613392 8.09760104 -6.27344400
0.00030527 0.00060812 0.00006925
0.00536797 0.00047675 -0.00487020
-10.16494672 6.09537028 -5.53145805
0.00093143 0.00018594 0.00048909
-0.02436284 -0.00434615 0.02063284
-7.44178049 -1.84858016 18.11486749
-0.00025379 -0.00087565 0.00006069
-0.00559959 -0.02500859 -0.00106185
-7.65191496 -4.24957987 19.77590179
0.00069309 0.00033050 -0.00075704
0.00084786 -0.00584090 0.02425132
-24.80740206 -6.56571879 -23.19411837
0.00025594 0.00100961 0.00006332
-0.00342601 -0.00876974 -0.00358530
-22.14327183 -6.10684986 -23.15208586
-0.00030862 -0.00031557 -0.00046380
0.02746183 0.01368175 0.00150400
8.81240329 12.89822532 4.87356557
-0.00004195 0.00030302 -0.00078011
0.00897081 0.00792783 -0.04139473
9.19801176 11.53601488 7.41843294
-0.00011123 0.00009914 0.00055855
-0.02526189 0.03542348 -0.01751978
23.06759566 27.59382439 -2.54329539
0.00122365 -0.00120918 0.00080728
0.00520418 -0.01714055 -0.00099025
23.23921650 30.30736736 -1.93622840
-0.00008271 -0.00025009 0.00005333
-0.00208816 0.01065986 0.00768952
10.99442154 -0.64298961 -14.54985455
0.00041006 -0.00056642 0.00000232
-0.04431475 0.00895534 0.00015001
8.19511239 -1.74246874 -14.22640471
-0.00054597 0.00058181 -0.00082736
0.00755828 -0.00218792 -0.00307486
-9.90101548 -0.88453135 14.25353163
0.00055240 0.00026609 -0.00036560
-0.00383406 0.00745322 0.02284906
-9.72050066 -2.46012867 11.90572290
0.00067373 -0.00008519 -0.00087816
0.02573177 0.02779551 0.00833808
-2.80774704 -26.37286025 12.04749086
0.00031861 0.00024279 -0.00018136
-0.00378786 -0.00191572 -0.00794657
-3.23242081 -25.85869665 9.03374271
0.00022694 0.00016176 -0.00031660
-0.00991089 0.00120037 -0.00074583
-14.56852575 -2.83574856 -6.20481095
-0.00021719 0.00102909 -0.00035189
0.00516198 0.00515509 0.01184159
-16.33446919 -3.39264672 -8.30655664
0.00013845 0.00023354 -0.00079054
0.00445045 -0.00947979 -0.00144949
-18.76252977 -9.38991411 -18.62672130
-0.00114844 0.00055140 -0.00054446
0.02412576 0.05271941 -0.01162205
-18.15212492 -12.24723973 -18.82761224
-0.00067267 -0.00074995 0.00042740
-0.00561296 0.01055995 -0.00091242
22.45512241 6.05860034 3.40512751
0.00062821 0.00013204 0.00001470
0.00564351 -0.02592067 0.00104639
20.54563898 6.59533401 5.10582571
-0.00065122 0.00059243 0.00065163
-0.01993402 0.00035724 0.01990790
17.97183425 -11.08361412 -11.95300341
0.00020126 0.00103027 0.00141876
-0.00666704 0.00457700 -0.00976109
18.17107694 -10.80763773 -14.95744477
0.00031332 0.00039336 0.00003582
0.00171186 -0.00010999 0.01478400
-2.46867137 1.46239449 -7.50089533
0.00027874 -0.00039101 0.00069207
0.00738712 -0.01798932 0.00724258
-4.58728389 0.18094667 -6.10591607
-0.00004520 0.00082719 -0.00011005
0.00133017 -0.00497111 -0.00188915
-2.82322573 -4.47632617 -17.96932759
-0.00029921 0.00043393 -0.00064649
0.00267193 -0.00225794 -0.00672088
-3.67822382 -1.67651160 -18.57244647
0.00022829 0.00022908 -0.00053299
0.00038858 -0.00775930 0.00683227
13.58471031 17.16301005 -19.62731456
0.00042146 0.00096694 0.00005135
0.01457362 -0.00328160 -0.01974295
12.66516274 15.68526779 -21.89236787
0.00016196 -0.00014715 -0.00090722
0.00430531 0.00225656 0.00308850
-13.56701431 17.24417053 -11.76408920
-0.00041493 -0.00018058 0.00023095
-0.02389825 0.00069614 -0.02613625
-14.63220868 15.67916124 -13.90556508
-0.00012730 0.00020610 -0.00024682
0.00186660 -0.05272086 -0.03222040
1.41813238 15.70851090 6.53903195
0.00008945 0.00048076 0.00010942
0.01787827 -0.01246753 0.00118681
0.10938092 16.00256356 8.93754794
-0.00060316 0.00032674 -0.00103432
0.03526807 -0.02757956 0.00388344
-5.97954423 -8.58981390 3.08875393
0.00144250 0.00070446 -0.00053983
-0.00056884 0.00858155 -0.00821670
-3.38458815 -9.93738560 2.75265876
0.00025591 -0.00071220 0.00169711
0.01137616 -0.00738828 -0.01695051
1.72131406 -3.50577302 3.09752612
-0.00058031 -0.00096690 -0.00100478
0.00767114 -0.02232071 -0.00163891
3.14573789 -4.72757851 0.96157646
-0.00128058 0.00110560 0.00157291
0.00871733 -0.00417035 -0.00660626
8.44451701 7.76795596 3.45883059
-0.00122350 0.00073696 -0.00048798
0.00083564 0.00066456 0.00003873
11.29368441 8.00787004 4.32294332
0.00030674 0.00018961 -0.00095004
0.00012349 -0.00030697 -0.00368861
-8.07602322 -11.55383659 -2.47248277
0.00034940 0.00129751 0.00060537
-0.01161653 0.01777951 -0.01334394
-10.12130150 -9.85556758 -1.32505280
-0.00004789 -0.00057818 0.00013755
-0.02185079 0.00942734 0.01985783
5.36427583 -15.40891500 -12.62081869
-0.00024876 0.00050682 0.00011776
-0.00964782 -0.02124704 0.00384006
2.68445679 -17.00658236 -12.04707804
-0.00091003 -0.00039355 0.00067479
0.03114586 0.03198904 -0.01031795
4.84868474 -5.09373519 -4.92397901
-0.00036449 0.00045681 0.00060130
0.00454183 -0.01266266 0.02163697
4.68068424 -6.80400864 -2.44584068
0.00072414 -0.00001265 0.00024085
0.03812776 -0.03033968 0.02138598
16.80713824 2.61049908 24.11406237
0.00000930 0.00024981 -0.00027581
0.00389735 -0.01415471 0.00383662
19.25613189 3.23736877 25.50374260
0.00041290 -0.00011447 0.00069603
0.01055345 -0.00421228 -0.00025314
-9.64276198 1.11891304 1.41531347
0.00054766 -0.00062816 -0.00018880
-0.01191748 0.00543497 0.00742155
-9.76375768 4.01073026 2.38965985
-0.00016218 -0.00085391 0.00066804
-0.00624653 -0.00954365 -0.00137861
-5.22474744 13.90425628 -8.86931649
0.00099009 -0.00113535 0.00046653
-0.01347213 0.00006568 -0.00271822
-7.86839332 12.45488206 -8.89553964
0.00099300 -0.00009304 -0.00007067
0.00737654 0.00433948 -0.00539536
0.54700779 11.87159652 -6.90764038
0.00152218 -0.00048065 0.00052711
0.00095664 0.01166731 0.01187274
2.03141621 14.61358192 -6.51025071
-0.00050652 -0.00023064 -0.00035961
-0.00753352 -0.01439080 0.01526026
-10.37049160 8.44980967 -12.85209033
-0.00097525 0.00010539 0.00022688
0.01397429 -0.04840174 -0.01264188
-12.09914472 9.96887329 -11.18159893
0.00027750 -0.00044528 0.00039839
0.01171735 0.00209796 -0.00837329
7.41778130 5.02628073 12.94735407
0.00002895 0.00097678 0.00016812
0.02196664 -0.01509793 0.02270621
9.76384021 3.84733554 14.49879525
-0.00024086 -0.00014797 0.00076881
0.01155248 0.00432387 -0.01822086
-14.08137285 10.25545847 -7.54354902
-0.00058768 0.00008881 0.00120061
0.00173349 0.00691144 -0.00385791
-16.88384471 10.92058941 -7.99076377
-0.00029442 -0.00000936 0.00013078
0.00700924 -0.01182507 -0.00273299
8.98555316 9.50754246 -2.36063067
0.00008593 -0.00099034 -0.00013009
0.00931223 -0.00401541 0.01060197
7.90231627 8.26198856 -4.54659590
-0.00043375 0.00051692 -0.00080537
0.01181852 -0.02713346 0.02131714
14.46508053 -18.96450899 -27.55471843
0.00025164 0.00038909 -0.00020778
-0.00376074 -0.00935239 0.00802694
13.48046053 -20.36780935 -25.15865856
-0.00029006 -0.00039361 -0.00047434
-0.00201808 0.00927897 0.01507786
5.45002466 5.39122134 2.16256514
-0.00038878 -0.00121724 0.00023106
-0.01609491 0.01411742 0.00163468
6.04370472 6.93116759 -0.05950152
0.00011527 -0.00041268 -0.00064811
-0.01856904 0.01554327 0.00939993
19.57361874 -7.13494327 -6.75456841
0.00030008 0.00133861 -0.00019200
-0.00584109 0.01864100 -0.00166824
17.50081759 -5.08577311 -6.22794573
0.00001774 0.00001291 0.00043504
-0.02366091 0.01594877 0.03214817
-2.63458536 -0.81931291 -0.96585909
0.00019887 -0.00013534 -0.00083205
-0.00972272 0.01349910 0.02171496
-2.04155999 -1.19529587 -3.62870928
-0.00038793 -0.00021296 0.00029994
0.00077430 0.01195052 -0.04330717
3.92015144 -3.49595280 -12.04062540
-0.00019551 0.00071213 -0.00016114
-0.00963461 0.01405455 -0.00581141
1.13408469 -2.70480348 -11.69018683
-0.00013748 -0.00023892 -0.00034082
-0.01925349 -0.00250891 0.00474208
19.54593599 8.23447248 -7.67052459
0.00024416 0.00014987 -0.00047510
-0.00088844 -0.01336332 -0.02508676
20.79782153 8.55151410 -5.20993784
0.00055710 -0.00074643 0.00070994
0.02060782 -0.01047984 0.01589165
-7.06591769 4.01470891 9.38891995
0.00041891 -0.00105524 -0.00020885
-0.00913295 0.04085766 -0.02148762
-7.78277470 6.60495747 10.71291041
0.00078248 0.00019040 -0.00067026
0.00355578 -0.00123904 -0.00527477
-2.50276883 -17.74555483 11.40772407
0.00052825 -0.00045713 0.00080525
0.00438693 0.00623760 -0.00300268
-2.89632648 -15.14028103 10.18940434
0.00049655 -0.00059691 -0.00021303
0.00162984 -0.00126259 0.00294160
8.55127718 -0.56024184 -2.74246256
-0.00077579 -0.00048701 -0.00107371
-0.01894193 -0.00114555 -0.02755101
7.81630246 1.12354474 -5.18391473
-0.00106778 -0.00002830 -0.00044953
0.00633197 0.02704906 -0.01196043
0.41375110 -11.75709016 1.81320405
-0.00018707 -0.00053549 0.00023014
0.01184895 0.00708386 0.00796131
-0.94877782 -10.48742678 -0.37733934
0.00014113 -0.00045095 -0.00022916
0.00162057 0.00962966 -0.00191516
-19.74140842 -1.63050123 6.97532307
-0.00007123 -0.00010012 -0.00091888
0.00173352 0.01230927 -0.00486206
-21.03157371 0.49635436 5.44988992
-0.00026018 -0.00041298 0.00094228
-0.02332514 0.02801002 0.00564261
-4.92932737 8.30424710 -26.06281370
-0.00132221 -0.00038931 -0.00064598
0.03364626 0.00334640 -0.00138270
-5.88592218 7.23031416 -23.29622328
0.00021603 0.00026426 -0.00042527
0.03059430 -0.01425766 0.05098816
4.24049091 1.43221923 -2.67444406
0.00001635 0.00142687 0.00031556
0.02249694 -0.01728815 -0.01589274
1.66888383 0.43559560 -1.59563946
0.00061825 0.00002211 0.00099206
0.00954828 0.00173967 -0.00727857
14.92454974 7.39342550 5.73793725
-0.00043508 0.00001022 -0.00066316
0.00136707 0.00406868 -0.00756017
15.90959843 9.86965954 4.40226348
-0.00045426 -0.00014865 -0.00075623
-0.02375594 -0.03339300 -0.01146876
1.45758610 -11.77235818 -13.79641100
0.00011180 -0.00002544 -0.00018527
0.00112079 0.00374419 0.00266067
-13.56321623 14.54484491 22.66107646
0.00000048 0.00016177 0.00014605
0.00171687 -0.00389512 0.00250043
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02405437
0.33210094
442.50785447
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0539244186
ExchangeOperator: pair fraction: ispin=0: 0.1257977285
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3684794782 (a.u.)
total exchange computation time: 2.5938889980 s
-154.2035260201
-931.35523942
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0539244186
ExchangeOperator: pair fraction: ispin=0: 0.1257977285
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3676183736 (a.u.)
total exchange computation time: 2.5915019512 s
-154.2110973783
Anderson extrapolation: theta=1.3826124429 (1.3826124429)
-931.35554084
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0539244186
ExchangeOperator: pair fraction: ispin=0: 0.1257977285
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3662875726 (a.u.)
total exchange computation time: 2.5935339928 s
-154.2225288135
Anderson extrapolation: theta=0.0696646344 (0.0696646344)
-931.35573198
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0539244186
ExchangeOperator: pair fraction: ispin=0: 0.1257977285
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3660898506 (a.u.)
total exchange computation time: 2.5925300121 s
-154.2241059071
Anderson extrapolation: theta=2.3460117551 (2.0000000000)
-931.35574314
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0539244186
ExchangeOperator: pair fraction: ispin=0: 0.1257977285
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3656708829 (a.u.)
total exchange computation time: 2.5912740231 s
-154.2273699834
Anderson extrapolation: theta=0.4310586623 (0.4310586623)
-931.35575769
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0539244186
ExchangeOperator: pair fraction: ispin=0: 0.1257977285
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3655038134 (a.u.)
total exchange computation time: 2.5922870636 s
-154.2285998140
Anderson extrapolation: theta=0.9960156252 (0.9960156252)
-931.35576182
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0539244186
ExchangeOperator: pair fraction: ispin=0: 0.1257977285
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3653784899 (a.u.)
total exchange computation time: 2.5918028355 s
-154.2294444636
Anderson extrapolation: theta=0.5547149938 (0.5547149938)
-931.35576464
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0539244186
ExchangeOperator: pair fraction: ispin=0: 0.1257977285
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3653527340 (a.u.)
total exchange computation time: 2.5946729183 s
-154.2295310152
Anderson extrapolation: theta=0.7654112107 (0.7654112107)
-931.35576568
-23.697512 -127.307800 -244.050919
-138.611414 458.752265 -804.141403
-162.308926 331.444465 -1048.192322
1111.263589
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0539244186
ExchangeOperator: pair fraction: ispin=0: 0.1257977285
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3653676092 (a.u.)
total exchange computation time: 2.6555099487 s
678.80646126
-1084.12035492
89.80554501
-388.71002143
-174.77202840
78.51148493
551.60419304
0.00000000
-931.35576609
-9.26048587 -5.44424824 9.58230750
-0.00005173 0.00027842 0.00013107
0.01389944 -0.01259536 0.01904453
-13.87413536 5.10496192 9.07383919
0.00004458 -0.00011601 -0.00015506
0.00792492 -0.00682145 -0.00696391
-15.77068894 1.64111658 2.98194814
0.00001290 -0.00017958 -0.00015348
-0.03975315 -0.01015724 0.01702742
2.46479040 -19.69018868 13.19288734
0.00006393 -0.00000901 0.00033325
-0.05889961 0.03212459 -0.05170519
9.51908909 20.78294923 0.55626345
0.00045579 0.00020431 -0.00012987
-0.00489302 0.02907791 -0.00984370
-11.08442207 12.71469660 15.12803163
-0.00007263 0.00002698 0.00018293
-0.02008942 0.04733200 0.00037890
-6.02390500 1.15632340 -13.03704246
-0.00007883 -0.00000999 0.00025312
0.00713504 0.01372740 -0.00472213
-9.07373787 6.49157846 -6.88180840
0.00028634 0.00031194 0.00004811
0.01647113 0.00648587 -0.01859835
-7.65108468 -3.70871536 18.07184216
0.00024918 0.00013149 0.00003280
0.00609655 0.02099017 -0.03206542
-23.23895920 -7.50069368 -23.36538873
-0.00013347 -0.00032996 -0.00018763
-0.03756404 0.00032138 -0.00974235
8.11316780 12.90719967 6.49158668
0.00051553 0.00025391 0.00022039
0.02145232 -0.04163930 0.05364005
23.39332623 29.17122708 -3.34312366
-0.00034792 -0.00036023 0.00031640
-0.00577625 0.00212977 -0.00752570
9.13960562 -0.19705927 -14.63761683
0.00044942 0.00027369 0.00009381
0.03566662 -0.00220919 -0.00073226
-8.89967989 -0.96562976 12.77723724
-0.00038215 -0.00025765 -0.00023325
-0.01386575 -0.03711463 -0.03416140
-2.05589915 -25.94864869 10.40589178
-0.00030638 0.00000732 0.00035531
0.01702414 -0.00008214 -0.00446304
-15.13057516 -4.26505475 -7.22657504
-0.00014083 0.00022634 0.00012428
-0.01068953 0.00203283 -0.02084167
-19.39709975 -10.96685661 -18.30086651
0.00011307 -0.00005563 -0.00001141
-0.01789585 -0.06277633 0.01557537
21.46784566 5.10815528 4.67330294
-0.00048238 0.00026948 -0.00001422
0.01637901 0.03504156 -0.01939284
18.87804949 -11.67280583 -13.46691900
0.00087763 -0.00000147 0.00012855
0.00129198 0.00347827 -0.00100602
-2.88990588 -0.17111811 -6.70538056
-0.00036813 -0.00036439 0.00024268
-0.00851122 0.02678826 -0.00848679
-3.97993537 -3.17458993 -17.50885475
0.00033369 -0.00012375 -0.00010265
-0.00908678 0.02204113 0.00352911
14.23432992 16.43884257 -21.22626662
-0.00011638 0.00000132 -0.00008812
-0.01700056 0.00014900 0.02118816
-14.80330750 17.27850375 -13.20996427
0.00039069 0.00051678 -0.00021303
0.01487861 0.05387715 0.05887607
1.66829998 15.03754839 8.23774897
-0.00018932 0.00003407 -0.00041074
-0.05565080 0.03542096 -0.00154877
-4.55690635 -9.31052215 3.96699468
0.00023059 0.00018389 -0.00018020
-0.01038629 -0.00082893 0.02957567
2.12652592 -5.21873153 2.37238941
0.00005827 0.00006040 -0.00016371
-0.01730431 0.02113772 0.02216566
9.72713185 7.05516346 4.54760131
-0.00009629 0.00003700 -0.00001217
0.00045063 0.00623153 -0.00894351
-9.17666928 -10.02732746 -2.82497879
-0.00017551 -0.00041200 0.00000435
0.03767113 -0.02580224 0.00680769
3.56406161 -15.56973572 -12.97025742
0.00005855 -0.00009416 -0.00027251
-0.03827232 -0.01126856 0.00865248
3.80506875 -5.72464105 -3.48698837
-0.00004318 0.00009112 0.00030368
-0.03702803 0.03604539 -0.03575370
18.44884816 1.86681949 24.58023936
-0.00011552 0.00021882 -0.00007743
-0.01355885 0.00306547 -0.00691207
-8.79035691 2.73202851 1.51603053
-0.00013578 -0.00022483 0.00007371
0.01092313 0.00196908 -0.01034229
-6.34756512 12.84757077 -9.90931197
0.00049444 -0.00026572 0.00026391
-0.00329073 -0.00108469 -0.00061464
1.64335593 13.17572326 -7.57303683
-0.00006360 0.00024157 0.00001975
0.00797140 -0.00502568 -0.02781838
-10.81900490 10.10105862 -12.51990788
-0.00028833 -0.00002154 -0.00005316
-0.03321341 0.04906600 0.02109504
8.01056032 4.21831354 14.54858701
-0.00024363 -0.00031872 0.00002183
-0.03215585 0.00222220 -0.00356116
-15.62847439 9.56398582 -8.22859487
0.00033629 0.00037142 0.00046544
-0.00942093 0.01240518 0.00420124
8.89099175 7.78292948 -2.98268277
-0.00023317 0.00002081 -0.00005228
-0.02990234 0.02082156 -0.03441110
14.15350122 -20.64671920 -26.80118261
0.00001721 -0.00021095 0.00021053
0.01027032 0.01215677 -0.02535762
4.95954508 7.08639009 1.49037738
0.00001770 -0.00014011 0.00035580
0.04052383 -0.03854235 -0.01307497
18.44894014 -5.85207781 -7.50888687
-0.00033472 -0.00001653 -0.00024894
0.03093298 -0.02852516 -0.01821429
-1.84396111 -1.98495215 -2.06185799
-0.00018284 -0.00023318 -0.00007564
0.01633597 -0.02764922 0.02862539
2.77310960 -2.01044294 -12.01986113
0.00003210 -0.00018865 -0.00005455
0.03043914 -0.00974610 -0.00023494
19.58901711 9.36457946 -6.27542414
0.00003665 -0.00000495 0.00015093
-0.00759070 0.01268061 0.01233191
-7.45796288 5.93457579 9.02764578
-0.00026988 -0.00028182 -0.00034457
0.00811378 -0.04183736 0.01915859
-1.89919845 -16.01722021 11.47315430
0.00018854 -0.00012743 -0.00021621
-0.00810800 -0.00516240 0.00113557
7.51679144 -0.43787374 -4.38322373
0.00023224 -0.00012853 -0.00041917
0.01150244 -0.01690211 0.04154011
-0.92627740 -12.03656590 0.61076184
-0.00013338 -0.00012343 0.00005558
-0.01418811 -0.01962023 -0.00176749
-19.97386708 -0.89161496 5.25055314
0.00006825 0.00043590 0.00019573
0.02054236 -0.03185949 -0.00870350
-6.18800166 7.76873204 -24.91040755
-0.00027192 0.00024006 -0.00048784
-0.06568164 0.01495806 -0.03695029
2.79197837 1.87870763 -1.75791329
-0.00048957 -0.00001654 -0.00018444
-0.03651943 0.01501655 0.02286584
14.86462344 8.26308471 4.08826575
-0.00016039 0.00001544 0.00020014
0.01750881 0.02611368 0.01460040
-8.24573146 -6.67921288 10.64584763
0.00027216 -0.00105105 -0.00017308
-0.01500919 0.01210482 -0.02263545
-10.01446731 -6.38178929 8.20704372
0.00011216 0.00070019 0.00039162
0.00348493 -0.00217764 0.00711724
-13.27114561 6.18624249 7.71208169
0.00048953 -0.00017380 0.00003651
-0.00016008 0.00053523 -0.00306246
-13.88459635 3.45626828 8.22501201
-0.00017187 -0.00017438 -0.00090597
0.00142671 0.00330044 0.01610594
-15.03987734 1.83136168 4.68466403
0.00003666 -0.00001044 0.00032447
-0.00362405 -0.01042745 -0.01526483
-17.44660778 0.68061740 3.29592260
0.00011897 0.00003131 0.00032648
0.03823690 0.02339742 0.00061757
3.35699161 -21.05319571 12.63226053
-0.00106870 -0.00077855 -0.00048369
0.02730399 -0.05091965 -0.02454428
3.03251405 -19.35548238 14.75731236
-0.00027758 0.00013388 0.00054291
0.02635847 0.02132520 0.07293624
9.39551294 19.10396160 1.16370534
-0.00080028 -0.00057485 -0.00058484
-0.00343742 -0.02530202 0.00008434
8.02983510 21.68302243 1.28122167
0.00073013 -0.00056008 -0.00009844
0.01561618 0.00039597 0.00348486
-10.40025232 12.88896693 16.93033118
-0.00042917 -0.00072056 0.00026968
-0.00748943 -0.00919976 -0.02125604
-11.97699776 14.40062438 14.81054953
0.00076915 0.00048025 0.00120955
0.02105105 -0.04057121 0.00659693
-5.71816013 -0.01467639 -14.40971599
-0.00062167 -0.00030561 0.00032037
-0.00034336 -0.00097838 0.01036870
-6.30145741 0.37855796 -11.40869899
0.00014418 -0.00014934 -0.00111165
-0.00607837 -0.01513405 -0.00486683
-8.48139033 8.10673751 -6.27255442
0.00032560 0.00060618 0.00004780
0.00458137 -0.00142740 -0.00562987
-10.15172182 6.09802615 -5.52348940
0.00083240 0.00016816 0.00057328
-0.02411076 -0.00435376 0.02057800
-7.44575892 -1.86248124 18.11574527
-0.00027472 -0.00096296 0.00005585
-0.00464446 -0.01773059 -0.00130603
-7.64149267 -4.24480135 19.76528934
0.00069644 0.00030160 -0.00064480
0.00079183 -0.00830845 0.03069095
-24.80366795 -6.55084331 -23.19327845
0.00024485 0.00096933 0.00004808
-0.00200085 -0.01094710 -0.00387660
-22.14705959 -6.11116418 -23.15899677
-0.00019324 -0.00025946 -0.00045822
0.02901770 0.01378474 0.00122490
8.81204891 12.90301352 4.86059545
-0.00001059 0.00033423 -0.00093482
0.00637892 0.00735182 -0.03433469
9.19556914 11.53858748 7.42627426
-0.00021239 0.00024321 0.00048544
-0.02425627 0.03509940 -0.01826551
23.08610987 27.57516145 -2.53121659
0.00124680 -0.00126862 0.00079873
0.00612870 -0.01195707 -0.00319462
23.23791188 30.30394269 -1.93519284
-0.00009177 -0.00020598 0.00008686
-0.00234742 0.01093146 0.00872264
10.99921444 -0.65121156 -14.54981520
0.00022782 -0.00052937 0.00000302
-0.04489074 0.00918158 0.00019376
8.18715440 -1.73380870 -14.23890934
-0.00051367 0.00057282 -0.00083932
0.00825270 -0.00221075 -0.00277888
-9.89284698 -0.88031164 14.24874782
0.00053008 0.00029519 -0.00026522
-0.00708976 0.00679160 0.02628861
-9.70960628 -2.46055475 11.89280595
0.00077508 0.00002565 -0.00084286
0.02387968 0.02646115 0.00894514
-2.80308389 -26.36927708 12.04452697
0.00029725 0.00023257 -0.00020502
-0.00667248 -0.00308557 -0.00363653
-3.22932042 -25.85623341 9.02897092
0.00018767 0.00016622 -0.00031628
-0.00931096 0.00097994 0.00090213
-14.57162544 -2.82015420 -6.20972643
-0.00019750 0.00104613 -0.00030580
0.00447866 0.00318449 0.01072099
-16.33225610 -3.38943414 -8.31845915
0.00015976 0.00019197 -0.00079314
0.00598453 -0.01086787 0.00017658
-18.77901706 -9.38002760 -18.63524437
-0.00105114 0.00075907 -0.00059202
0.02350395 0.04893544 -0.01165644
-18.16238695 -12.25816535 -18.82122922
-0.00069207 -0.00070546 0.00042195
-0.00388502 0.01121888 -0.00175381
22.46471843 6.05978665 3.40538005
0.00064537 0.00002435 0.00002456
0.00275982 -0.02679291 0.00377853
20.53525978 6.60423133 5.11621015
-0.00072639 0.00058682 0.00072857
-0.01686012 -0.00309922 0.01775802
17.97464885 -11.06801975 -11.93202107
0.00018409 0.00104125 0.00136126
-0.00173814 0.00079643 -0.01838929
18.17582926 -10.80174077 -14.95645451
0.00032263 0.00038986 0.00010073
0.00284410 -0.00160172 0.01699100
-2.46426398 1.45597816 -7.49029239
0.00031016 -0.00046351 0.00072047
0.00799672 -0.01750066 0.00666094
-4.58792115 0.19320211 -6.10762468
-0.00004317 0.00080595 -0.00011607
-0.00033431 -0.00542220 -0.00106103
-2.82763193 -4.46988641 -17.97923092
-0.00028116 0.00041573 -0.00067657
0.00615920 -0.00665067 -0.00800356
-3.67478757 -1.67331313 -18.58023202
0.00022810 0.00019292 -0.00050104
-0.00048023 -0.00994185 0.00880899
13.59147878 17.17741360 -19.62714937
0.00048000 0.00095030 -0.00003363
0.01408109 -0.00486222 -0.02185322
12.66772409 15.68312965 -21.90588146
0.00018039 -0.00013596 -0.00089127
0.00471484 0.00322045 0.00471600
-13.57397054 17.24148310 -11.76142591
-0.00051027 -0.00017703 0.00012583
-0.02277243 0.00104511 -0.02531753
-14.63406097 15.68063723 -13.91025470
-0.00012045 -0.00000309 -0.00037567
0.00148837 -0.04968109 -0.03085455
1.42002203 15.71534030 6.54070956
0.00016280 0.00043098 0.00010862
0.01802484 -0.01189925 -0.00157486
0.10141429 16.00661958 8.92215210
-0.00045764 0.00021248 -0.00101696
0.03596224 -0.02835302 0.00461670
-5.95792410 -8.57898402 3.08040475
0.00143365 0.00074254 -0.00057799
-0.00376336 0.01005709 -0.01046309
-3.38040087 -9.94829505 2.77759606
0.00031187 -0.00074707 0.00161700
0.01601576 -0.00968127 -0.02226547
1.71284447 -3.52096045 3.08240412
-0.00055348 -0.00104742 -0.00100377
0.00546170 -0.01709718 0.00213458
3.12679637 -4.71112227 0.98496771
-0.00122601 0.00109409 0.00151926
0.01799395 -0.00146702 -0.01965857
8.42619005 7.77903079 3.45151202
-0.00120630 0.00073147 -0.00047611
0.00758513 -0.00335356 0.00577176
11.29828933 8.01070479 4.30857964
0.00030095 0.00018464 -0.00096372
-0.00295961 -0.00212736 -0.00300744
-8.07113819 -11.53382914 -2.46381105
0.00030764 0.00136112 0.00055128
-0.00882674 0.01335829 -0.01313321
-10.12268938 -9.86395146 -1.32238101
-0.00013687 -0.00053923 0.00021726
-0.02170733 0.00963926 0.01916133
5.36024872 -15.40196371 -12.61893463
-0.00028511 0.00041953 0.00013438
-0.00814128 -0.02148319 0.00429835
2.67176081 -17.01150534 -12.03727235
-0.00077669 -0.00025486 0.00062743
0.03412092 0.03589851 -0.01286497
4.84335653 -5.08727103 -4.91429645
-0.00034404 0.00040643 0.00068611
0.00547194 -0.01200057 0.01987701
4.69271469 -6.80512813 -2.44157259
0.00087464 -0.00012966 0.00032223
0.03554331 -0.02693513 0.01844923
16.80739712 2.61381244 24.11004284
0.00002494 0.00019315 -0.00025965
0.00376264 -0.01358110 0.00407282
19.26264875 3.23552262 25.51417523
0.00045261 -0.00013453 0.00069174
0.00888404 -0.00560483 -0.00184339
-9.63491231 1.10965723 1.41270896
0.00049899 -0.00060497 -0.00015816
-0.01190327 0.00591661 0.00757639
-9.76638175 3.99762919 2.39963828
-0.00018912 -0.00089149 0.00066341
-0.00694032 -0.00885393 -0.00089230
-5.21030897 13.88722800 -8.86240179
0.00093536 -0.00113348 0.00045606
-0.01331894 0.00084915 -0.00240858
-7.85327228 12.45361946 -8.89676496
0.00101618 -0.00007776 -0.00008806
0.00397064 0.00314048 -0.00311976
0.56986973 11.86474429 -6.89936994
0.00152328 -0.00043554 0.00057671
-0.00041466 0.01041593 0.01240874
2.02358748 14.60968137 -6.51517727
-0.00053417 -0.00028117 -0.00029129
-0.00599794 -0.01034267 0.01818328
-10.38469211 8.44990735 -12.84907450
-0.00091589 -0.00009775 0.00017311
0.01508398 -0.05103534 -0.01368061
-12.09462315 9.96225843 -11.17587970
0.00032423 -0.00043492 0.00036501
0.01115842 0.00297342 -0.00796271
7.41888864 5.04046984 12.95057159
0.00012035 0.00091262 0.00026314
0.02277558 -0.01631068 0.02380970
9.76058133 3.84524855 14.50976901
-0.00019283 -0.00012981 0.00069399
0.01195987 0.00456119 -0.01840109
-14.09013495 10.25700238 -7.52565805
-0.00057276 0.00012128 0.00118739
0.00557022 0.00898182 -0.00261452
-16.88804619 10.92008671 -7.98888588
-0.00026436 -0.00005805 0.00011970
0.00770264 -0.01201240 -0.00269043
8.98712745 9.49256424 -2.36225709
0.00012470 -0.00099292 -0.00008173
0.00966752 0.00275663 0.01307062
7.89617219 8.26891084 -4.55802326
-0.00038114 0.00040391 -0.00071082
0.01393334 -0.02818262 0.02496455
14.46873988 -18.95895925 -27.55758917
0.00023421 0.00034229 -0.00017063
-0.00477319 -0.01355551 0.01015665
13.47604783 -20.37342919 -25.16531157
-0.00030178 -0.00035397 -0.00040469
-0.00372187 0.01012530 0.01901393
5.44369976 5.37339536 2.16608115
-0.00045549 -0.00115101 0.00023390
-0.01655817 0.01830055 -0.00024309
6.04486473 6.92545372 -0.06893517
0.00003432 -0.00034886 -0.00060047
-0.02105684 0.01569603 0.01392285
19.57794089 -7.11429287 -6.75749949
0.00028120 0.00140865 -0.00019635
-0.00339999 0.01564101 -0.00046110
17.50035870 -5.08509077 -6.22043496
-0.00007532 0.00007552 0.00056025
-0.02189389 0.01470047 0.02914062
-2.63190029 -0.82092933 -0.97767447
0.00015489 -0.00007436 -0.00073601
-0.01180539 0.01634800 0.02529910
-2.04735522 -1.19812404 -3.62553719
-0.00038465 -0.00016330 0.00011798
0.00083083 0.01235637 -0.04576721
3.91692351 -3.48484021 -12.04322054
-0.00022821 0.00076041 -0.00018467
-0.00636886 0.00958059 -0.00571019
1.13143252 -2.70846412 -11.69515377
-0.00021359 -0.00024855 -0.00032172
-0.01800314 -0.00220672 0.00460474
19.54957116 8.23631100 -7.67841980
0.00024143 0.00009983 -0.00057113
-0.00044856 -0.01113283 -0.02191902
20.80680957 8.53999646 -5.19880184
0.00062948 -0.00078252 0.00076435
0.01482322 -0.00718363 0.01074265
-7.05991384 4.00013236 9.38512872
0.00037971 -0.00088238 -0.00029696
-0.01005663 0.04375731 -0.02163955
-7.77092851 6.60777551 10.70269491
0.00079602 0.00018645 -0.00068761
0.00307247 -0.00069263 -0.00321948
-2.49471060 -17.75222069 11.41971077
0.00054646 -0.00042867 0.00079234
0.00452557 0.00769458 -0.00331702
-2.88882829 -15.14927342 10.18629905
0.00049963 -0.00059996 -0.00020496
-0.00012373 -0.00022751 0.00100732
8.53905984 -0.56758210 -2.75941252
-0.00084628 -0.00049027 -0.00117754
-0.01556141 -0.00045124 -0.02327445
7.80047981 1.12394903 -5.19102423
-0.00104116 0.00008344 -0.00049801
0.00669765 0.02765090 -0.01176915
0.41130812 -11.76490543 1.81690009
-0.00013919 -0.00050606 0.00026175
0.01159069 0.00732192 0.00751195
-0.94661123 -10.49389590 -0.38083547
0.00014764 -0.00041047 -0.00023691
0.00156712 0.01018159 -0.00187505
-19.74242369 -1.63162579 6.96139085
-0.00006249 -0.00005361 -0.00093070
0.00254354 0.01045530 -0.00092222
-21.03619117 0.49101790 5.46419702
-0.00035929 -0.00029359 0.00096600
-0.02519186 0.03043655 0.00596814
-4.94812947 8.29850998 -26.07254577
-0.00117503 -0.00037209 -0.00065977
0.03839735 0.00508307 -0.00536675
-5.88174423 7.23384112 -23.30103986
0.00034045 0.00020764 -0.00022290
0.03031228 -0.01345448 0.04807123
4.24142555 1.45309251 -2.67019770
0.00010988 0.00135478 0.00024975
0.02328401 -0.01799762 -0.01632216
1.67845019 0.43598058 -1.58098153
0.00065288 0.00002175 0.00096185
0.00740292 -0.00191854 -0.00750973
14.91806541 7.39370354 5.72775812
-0.00042841 0.00002308 -0.00068420
0.00189852 0.00222206 -0.00273718
15.90205653 9.86640649 4.39056858
-0.00054887 -0.00028170 -0.00080011
-0.02255706 -0.03173296 -0.01001148
1.45926605 -11.77272966 -13.79918285
0.00011219 -0.00002408 -0.00018431
0.00109093 0.00381501 0.00267960
-13.56320610 14.54726468 22.66327152
0.00000086 0.00016087 0.00014662
0.00155023 -0.00383267 0.00241055
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02417144
0.33159466
441.83325390
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0536337209
ExchangeOperator: pair fraction: ispin=0: 0.1250621958
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3717647307 (a.u.)
total exchange computation time: 2.4676659107 s
-154.2136206908
-931.35557546
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0536337209
ExchangeOperator: pair fraction: ispin=0: 0.1250621958
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3709448807 (a.u.)
total exchange computation time: 2.4675230980 s
-154.2212941887
Anderson extrapolation: theta=1.3771154802 (1.3771154802)
-931.35587246
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0536337209
ExchangeOperator: pair fraction: ispin=0: 0.1250621958
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3697413771 (a.u.)
total exchange computation time: 2.4691309929 s
-154.2325145045
Anderson extrapolation: theta=0.0657966605 (0.0657966605)
-931.35605902
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0536337209
ExchangeOperator: pair fraction: ispin=0: 0.1250621958
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3696116251 (a.u.)
total exchange computation time: 2.4696648121 s
-154.2337752073
Anderson extrapolation: theta=2.2724027880 (2.0000000000)
-931.35606915
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0536337209
ExchangeOperator: pair fraction: ispin=0: 0.1250621958
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3693570596 (a.u.)
total exchange computation time: 2.4677519798 s
-154.2362710367
Anderson extrapolation: theta=0.3931536135 (0.3931536135)
-931.35608207
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0536337209
ExchangeOperator: pair fraction: ispin=0: 0.1250621958
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3692839223 (a.u.)
total exchange computation time: 2.4677739143 s
-154.2370210144
Anderson extrapolation: theta=1.1271667188 (1.1271667188)
-931.35608555
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0536337209
ExchangeOperator: pair fraction: ispin=0: 0.1250621958
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3692441517 (a.u.)
total exchange computation time: 2.4710509777 s
-154.2374838643
Anderson extrapolation: theta=0.4960717206 (0.4960717206)
-931.35608819
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0536337209
ExchangeOperator: pair fraction: ispin=0: 0.1250621958
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3692637800 (a.u.)
total exchange computation time: 2.4679961205 s
-154.2373590860
Anderson extrapolation: theta=0.8240532506 (0.8240532506)
-931.35608905
-23.691228 -127.324715 -244.086487
-138.607336 458.732982 -804.160548
-162.298564 331.408267 -1048.247035
1111.302889
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0536337209
ExchangeOperator: pair fraction: ispin=0: 0.1250621958
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3693075021 (a.u.)
total exchange computation time: 2.5245840549 s
678.88143370
-1084.25687041
89.79109260
-388.61900249
-174.78343568
78.58225983
551.60419304
0.00000000
-931.35608978
-9.26120828 -5.44012059 9.58434698
-0.00004350 0.00027145 0.00014212
0.01813689 -0.01447761 0.02393159
-13.87343610 5.10319550 9.07148649
0.00004867 -0.00012011 -0.00015894
0.00799308 -0.00913812 -0.00813371
-15.77064881 1.63838369 2.97971166
-0.00000712 -0.00018456 -0.00014393
-0.03809829 -0.00920742 0.02011689
2.46552221 -19.69019990 13.19768671
0.00003441 0.00000700 0.00030692
-0.05590518 0.03013400 -0.05069738
9.52590700 20.78612604 0.55427741
0.00045369 0.00021717 -0.00013456
-0.00325866 0.02092120 -0.00839237
-11.08558896 12.71528388 15.13077703
-0.00008280 0.00005112 0.00018327
-0.01946480 0.04652355 0.00093090
-6.02505989 1.15622647 -13.03326393
-0.00007472 -0.00000229 0.00024852
0.00883347 0.01623003 -0.01314365
-9.06937931 6.49628258 -6.88115842
0.00029467 0.00031563 0.00003898
0.01592359 0.00784684 -0.01692479
-7.64732353 -3.70666206 18.07221047
0.00025206 0.00014065 0.00001501
0.00513614 0.01463022 -0.03711592
-23.24110609 -7.50564182 -23.36824078
-0.00015323 -0.00032904 -0.00019250
-0.03930530 0.00324058 -0.00920175
8.12098348 12.91084776 6.49509949
0.00052689 0.00023294 0.00024593
0.02272500 -0.03993580 0.04566109
23.38808520 29.16583182 -3.33840662
-0.00035100 -0.00036054 0.00031295
-0.00620319 -0.00331795 -0.00588973
9.14648454 -0.19296246 -14.63621254
0.00046743 0.00027252 0.00009334
0.03434890 -0.00234116 -0.00108852
-8.90546568 -0.96963762 12.77360674
-0.00038802 -0.00027604 -0.00025153
-0.00895415 -0.03440391 -0.03692492
-2.06042925 -25.94853922 10.41120416
-0.00029709 0.00000772 0.00035128
0.01912107 0.00162578 -0.01118972
-15.13272884 -4.26165184 -7.22479118
-0.00014644 0.00022815 0.00011344
-0.01111296 0.00499849 -0.02132997
-19.39547273 -10.96793316 -18.30097758
0.00010379 -0.00008636 -0.00000333
-0.01819634 -0.05673913 0.01584224
21.46067322 5.11233267 4.67301485
-0.00047409 0.00028851 -0.00002418
0.01584163 0.03894062 -0.01935306
18.89121886 -11.67281442 -13.46499460
0.00087683 0.00000149 0.00012949
-0.00438540 0.00802673 0.00465669
-2.89546060 -0.17648056 -6.70177304
-0.00037226 -0.00035075 0.00023832
-0.00756773 0.02623135 -0.00848420
-3.97496510 -3.17636119 -17.51038087
0.00032838 -0.00011085 -0.00010094
-0.01156993 0.02812404 0.00312037
14.23251859 16.43886301 -21.22750670
-0.00012494 0.00000152 -0.00007723
-0.01626988 0.00063106 0.02115862
-14.79738978 17.28646331 -13.21293263
0.00039803 0.00054304 -0.00018383
0.01366434 0.04821213 0.05466829
1.66524548 15.03819603 8.23158182
-0.00021794 0.00005217 -0.00041098
-0.05564916 0.03498412 0.00062037
-4.55348752 -9.30776706 3.96440579
0.00022492 0.00018366 -0.00016335
-0.01169418 -0.00003591 0.03592269
2.12733329 -5.21774397 2.37001921
0.00004762 0.00006886 -0.00015005
-0.02412655 0.01174029 0.03097259
9.72568924 7.05574256 4.54738418
-0.00009688 0.00004156 -0.00001826
-0.00275407 0.01150084 -0.01473824
-9.17915659 -10.03360700 -2.82488729
-0.00015726 -0.00042396 0.00000824
0.03330745 -0.02071436 0.00831323
3.56479221 -15.57119155 -12.97431169
0.00003789 -0.00010069 -0.00026764
-0.04205063 -0.01414972 0.01026769
3.80427826 -5.72313520 -3.48257107
-0.00006152 0.00010831 0.00028710
-0.03431495 0.03078407 -0.02872072
18.44706305 1.87011363 24.57905123
-0.00012193 0.00022055 -0.00008063
-0.01136085 0.00366923 -0.00551183
-8.79235151 2.72866367 1.51709635
-0.00013002 -0.00022411 0.00006824
0.01149477 0.00081302 -0.01095390
-6.34016124 12.84358077 -9.90535577
0.00049361 -0.00026620 0.00026278
0.00005841 -0.00078747 -0.00377452
1.64243270 13.17932749 -7.57284790
-0.00005956 0.00023838 0.00000464
0.00774338 -0.00740410 -0.03093175
-10.82345790 10.10092472 -12.52062390
-0.00030521 0.00000351 -0.00004231
-0.03244393 0.04834787 0.02110424
8.00678182 4.21354132 14.54890071
-0.00026021 -0.00031744 0.00001989
-0.03229836 0.00273488 -0.00398496
-15.62346641 9.56960497 -8.22159711
0.00033039 0.00037728 0.00046718
-0.01350532 0.01037013 0.00258333
8.88737879 7.78332198 -2.98359977
-0.00024912 0.00002990 -0.00007134
-0.03210522 0.01451839 -0.03970186
14.15379906 -20.64983656 -26.79812241
0.00002308 -0.00020392 0.00019613
0.01253925 0.01518167 -0.03066690
4.95996686 7.08413971 1.49566400
0.00003915 -0.00016087 0.00034852
0.04290943 -0.04217076 -0.01525773
18.44403870 -5.85243581 -7.51269115
-0.00032012 -0.00002989 -0.00025754
0.02582238 -0.02343918 -0.01524662
-1.84664064 -1.98855655 -2.06288223
-0.00017409 -0.00024791 -0.00006142
0.01766584 -0.02963145 0.02670101
2.77370854 -2.01331031 -12.02068031
0.00004628 -0.00019250 -0.00005449
0.02471331 -0.00522092 0.00047392
19.58953761 9.36455414 -6.27311257
0.00003412 -0.00000001 0.00015760
-0.00224033 0.00651006 0.01358492
-7.46197978 5.93018706 9.02255109
-0.00026542 -0.00030399 -0.00033534
0.00921924 -0.04437199 0.01673537
-1.89640157 -16.01915161 11.46991558
0.00018482 -0.00013066 -0.00021501
-0.00635941 -0.00738839 0.00352470
7.52031935 -0.43986686 -4.38935097
0.00023714 -0.00013701 -0.00039935
0.00756716 -0.01609905 0.03552181
-0.92833285 -12.03849303 0.61158870
-0.00014052 -0.00013366 0.00005486
-0.01355778 -0.02015679 -0.00102520
-19.97276408 -0.88519942 5.25345546
0.00007881 0.00041979 0.00019005
0.02050194 -0.03075587 -0.01336172
-6.19233387 7.77239067 -24.91786767
-0.00030651 0.00024686 -0.00050444
-0.06883044 0.01148394 -0.02759332
2.78449399 1.87851746 -1.76059162
-0.00050764 -0.00000768 -0.00017280
-0.03374032 0.01941984 0.02239403
14.86228512 8.26341704 4.09132421
-0.00015197 0.00002879 0.00020597
0.01522661 0.02580842 0.00805932
-8.24210892 -6.69460770 10.64255782
0.00020681 -0.00099441 -0.00026881
-0.01698188 0.01562020 -0.02422281
-10.01267806 -6.37135323 8.21313607
0.00012237 0.00068791 0.00041405
0.00151157 -0.00383152 0.00386164
-13.26380763 6.18365192 7.71253553
0.00048886 -0.00017088 0.00002381
-0.00016798 0.00089421 -0.00315419
-13.88713066 3.45375370 8.21191597
-0.00016580 -0.00015653 -0.00083693
0.00154255 0.00543955 0.01768900
-15.03943845 1.83088562 4.68906325
0.00002030 -0.00005321 0.00025660
-0.00438788 -0.01051306 -0.01795490
-17.44365150 0.68180402 3.30083879
0.00027320 0.00012570 0.00032842
0.03725803 0.02280848 0.00033091
3.34179774 -21.06643434 12.62425302
-0.00096220 -0.00097903 -0.00057896
0.02482852 -0.04721371 -0.02208961
3.02915804 -19.35282074 14.76769094
-0.00017116 0.00021734 0.00083332
0.02573387 0.01953102 0.06922227
9.38340334 19.09456356 1.15493527
-0.00081223 -0.00066735 -0.00058913
-0.00241158 -0.01997775 -0.00218173
8.04126555 21.67463334 1.27985180
0.00078875 -0.00055387 -0.00008263
0.01308008 0.00264331 0.00425698
-10.40691931 12.87787657 16.93372504
-0.00045867 -0.00075806 0.00018313
-0.00695139 -0.00915604 -0.02111019
-11.96481537 14.40658495 14.82889499
0.00085278 0.00031652 0.00123431
0.01988559 -0.03957941 0.00552067
-5.72749569 -0.01929059 -14.40459271
-0.00062314 -0.00030791 0.00036194
-0.00037508 -0.00014657 0.00998039
-6.29948093 0.37585415 -11.42552290
0.00011617 -0.00021787 -0.00111352
-0.00763469 -0.01841172 0.00395168
-8.47636597 8.11578650 -6.27200989
0.00034277 0.00059663 0.00002344
0.00382507 -0.00324883 -0.00629719
-10.13997458 6.10041520 -5.51425960
0.00073612 0.00015109 0.00065522
-0.02301958 -0.00400183 0.01952901
-7.45002200 -1.87746896 18.11654301
-0.00029159 -0.00101835 0.00005007
-0.00361726 -0.00938182 -0.00152231
-7.63102185 -4.24053202 19.75655782
0.00069966 0.00026328 -0.00050844
0.00078726 -0.01044618 0.03605604
-24.80005647 -6.53663874 -23.19267611
0.00023933 0.00092048 0.00003169
-0.00070312 -0.01296627 -0.00414412
-22.14906896 -6.11463368 -23.16583261
-0.00007324 -0.00020473 -0.00045404
0.02972103 0.01300601 0.00082164
8.81208547 12.90825229 4.84552109
0.00000944 0.00036314 -0.00105842
0.00342975 0.00679751 -0.02617116
9.19163995 11.54331118 7.43299617
-0.00030846 0.00038456 0.00041020
-0.02277076 0.03409316 -0.01856644
23.10499969 27.55576572 -2.51933358
0.00127339 -0.00130627 0.00078089
0.00688843 -0.00647154 -0.00553804
23.23646339 30.30118796 -1.93362270
-0.00010185 -0.00016148 0.00012397
-0.00258815 0.01085359 0.00944247
11.00125616 -0.65887080 -14.54976398
0.00004549 -0.00049185 0.00000396
-0.04436010 0.00918588 0.00026637
8.17970220 -1.72528415 -14.25158428
-0.00047857 0.00056390 -0.00085007
0.00893058 -0.00215531 -0.00248458
-9.88511298 -0.87567570 14.24557514
0.00049569 0.00032143 -0.00015252
-0.00974809 0.00605480 0.02887761
-9.69724840 -2.45935913 11.88043721
0.00086796 0.00012955 -0.00080583
0.02158947 0.02439968 0.00918033
-2.79882967 -26.36588301 12.04134021
0.00026405 0.00021751 -0.00021066
-0.00957821 -0.00428791 0.00087531
-3.22679066 -25.85371012 9.02425442
0.00015122 0.00016974 -0.00030892
-0.00853023 0.00074365 0.00270002
-14.57445065 -2.80436468 -6.21398487
-0.00018083 0.00105459 -0.00026472
0.00367916 0.00095871 0.00938656
-16.32967624 -3.38688762 -8.33035084
0.00018695 0.00014508 -0.00078933
0.00732458 -0.01208315 0.00169062
-18.79406389 -9.36714203 -18.64448183
-0.00095831 0.00094602 -0.00063852
0.02193381 0.04257884 -0.01110760
-18.17288708 -12.26840341 -18.81495369
-0.00070401 -0.00065891 0.00041288
-0.00195703 0.01156776 -0.00268855
22.47448359 6.05933092 3.40586417
0.00065109 -0.00008610 0.00004493
0.00003675 -0.02727593 0.00619745
20.52384729 6.61293872 5.12768291
-0.00078863 0.00056690 0.00079639
-0.01360570 -0.00665565 0.01543712
17.97735692 -11.05237657 -11.91216573
0.00018577 0.00103742 0.00127085
0.00256335 -0.00266996 -0.02586500
18.18075588 -10.79594197 -14.95442294
0.00033629 0.00038064 0.00017374
0.00384302 -0.00291011 0.01875043
-2.45936650 1.44848928 -7.47928122
0.00034430 -0.00053307 0.00074608
0.00871462 -0.01655226 0.00587487
-4.58857890 0.20512525 -6.10939832
-0.00004792 0.00078301 -0.00011879
-0.00198995 -0.00580896 -0.00026697
-2.83166066 -4.46385425 -17.98962475
-0.00024936 0.00038007 -0.00071181
0.00940747 -0.01080352 -0.00924622
-3.67138076 -1.67072395 -18.58747770
0.00022454 0.00014862 -0.00046153
-0.00126551 -0.01174405 0.01053018
13.59911023 17.19151916 -19.62832348
0.00053603 0.00092781 -0.00012591
0.01334763 -0.00614714 -0.02331820
12.67057439 15.68118888 -21.91910603
0.00020023 -0.00012100 -0.00086887
0.00499560 0.00410357 0.00625177
-13.58232241 17.23885972 -11.76031424
-0.00059979 -0.00017212 0.00002563
-0.02104920 0.00135589 -0.02373308
-14.63582205 15.67906845 -13.91683528
-0.00011547 -0.00019517 -0.00049690
0.00094715 -0.04434380 -0.02848903
1.42301635 15.72144043 6.54229066
0.00023655 0.00038389 0.00009619
0.01807638 -0.01115393 -0.00451314
0.09565165 16.00893795 8.90703921
-0.00031064 0.00009593 -0.00099629
0.03599673 -0.02869864 0.00550077
-5.93653461 -8.56753778 3.07141433
0.00141257 0.00078633 -0.00062500
-0.00655680 0.01138015 -0.01255194
-3.37523205 -9.95979784 2.80116879
0.00038547 -0.00079086 0.00151690
0.02001299 -0.01174977 -0.02673682
1.70470960 -3.53719571 3.06741295
-0.00053642 -0.00110494 -0.00098650
0.00289109 -0.01105778 0.00631932
3.10895763 -4.69475594 1.00715416
-0.00113338 0.00109456 0.00141234
0.02734946 0.00169696 -0.03268010
8.40832794 7.78990010 3.44454719
-0.00116289 0.00071025 -0.00044209
0.01366376 -0.00703564 0.01088064
11.30271286 8.01340917 4.29403165
0.00028282 0.00017237 -0.00097453
-0.00591504 -0.00387630 -0.00228203
-8.06679413 -11.51300301 -2.45594422
0.00027837 0.00140562 0.00049865
-0.00550014 0.00842732 -0.01263245
-10.12540762 -9.87174460 -1.31853489
-0.00022400 -0.00049974 0.00029223
-0.02094507 0.00969387 0.01753736
5.35572266 -15.39632905 -12.61678714
-0.00031503 0.00033156 0.00015281
-0.00650908 -0.02157839 0.00472251
2.66115597 -17.01422824 -12.02825511
-0.00063264 -0.00010232 0.00057079
0.03639215 0.03877165 -0.01486007
4.83836367 -5.08154235 -4.90339570
-0.00031950 0.00035918 0.00076337
0.00653737 -0.01112807 0.01794434
4.70692346 -6.80789836 -2.43617381
0.00101229 -0.00022964 0.00038933
0.03183461 -0.02200912 0.01439802
16.80788659 2.61629346 24.10627292
0.00003956 0.00013916 -0.00024264
0.00339052 -0.01284722 0.00425459
19.26971007 3.23333297 25.52449490
0.00048539 -0.00016014 0.00068090
0.00716424 -0.00693383 -0.00346286
-9.62779214 1.10076402 1.41056877
0.00045053 -0.00057981 -0.00012695
-0.01181882 0.00639657 0.00769868
-9.76943116 3.98398550 2.40956202
-0.00021882 -0.00092614 0.00066079
-0.00759778 -0.00810746 -0.00038858
-5.19668676 13.87025175 -8.85563470
0.00088158 -0.00112824 0.00044704
-0.01300604 0.00171719 -0.00200559
-7.83790789 12.45254934 -8.89818148
0.00102492 -0.00006755 -0.00009588
0.00030589 0.00185559 -0.00070759
0.59270627 11.85853040 -6.89033902
0.00151904 -0.00039556 0.00062819
-0.00166294 0.00915111 0.01279047
2.01539117 14.60514696 -6.51898944
-0.00055599 -0.00031610 -0.00021213
-0.00468217 -0.00675936 0.02056890
-10.39796818 8.44687726 -12.84689710
-0.00085349 -0.00030647 0.00011615
0.01546142 -0.05113586 -0.01420030
-12.08941773 9.95582580 -11.17064849
0.00036802 -0.00042111 0.00033401
0.01027485 0.00378317 -0.00721382
7.42139181 5.05365933 12.95524831
0.00021398 0.00084417 0.00036171
0.02305579 -0.01719839 0.02444142
9.75805542 3.84344110 14.51961503
-0.00014424 -0.00011053 0.00061874
0.01182245 0.00487647 -0.01843634
-14.09855567 10.25909675 -7.50792731
-0.00054257 0.00016205 0.00117925
0.00920999 0.01097850 -0.00136908
-16.89177561 10.91884783 -7.98717287
-0.00023194 -0.00010698 0.00010882
0.00816880 -0.01194019 -0.00263206
8.98929421 9.47775497 -2.36308246
0.00016497 -0.00096766 -0.00002330
0.01004545 0.00960824 0.01552742
7.89088204 8.27410592 -4.56792064
-0.00032085 0.00028725 -0.00060276
0.01557911 -0.02892554 0.02793566
14.47210670 -18.95424027 -27.55983745
0.00021291 0.00027959 -0.00012539
-0.00565283 -0.01713907 0.01199200
13.47140703 -20.37842850 -25.17079928
-0.00031994 -0.00031118 -0.00032037
-0.00516736 0.01082203 0.02226104
5.43636008 5.35669094 2.16958227
-0.00052354 -0.00106897 0.00022959
-0.01675410 0.02185843 -0.00187041
6.04473424 6.92070179 -0.07751555
-0.00005574 -0.00028467 -0.00053567
-0.02302562 0.01572788 0.01779796
19.58205466 -7.09268388 -6.76045884
0.00027295 0.00146584 -0.00019538
-0.00063658 0.01235360 0.00093687
17.49855801 -5.08350750 -6.21113827
-0.00015961 0.00013167 0.00067078
-0.01936458 0.01278542 0.02496629
-2.62993872 -0.82154384 -0.98793935
0.00010345 -0.00000307 -0.00062699
-0.01337354 0.01854952 0.02806477
-2.05309952 -1.20019493 -3.62517000
-0.00038080 -0.00011355 -0.00007041
0.00105392 0.01199619 -0.04645091
3.91330525 -3.47314046 -12.04616564
-0.00024664 0.00078934 -0.00020781
-0.00265643 0.00458235 -0.00561383
1.12767701 -2.71226001 -11.69983850
-0.00028341 -0.00025647 -0.00030345
-0.01617342 -0.00166780 0.00434044
19.55317883 8.23746724 -7.68765834
0.00024050 0.00005971 -0.00065288
-0.00000524 -0.00850635 -0.01810087
20.81670607 8.52803856 -5.18700746
0.00067820 -0.00080511 0.00079768
0.00902500 -0.00387476 0.00557416
-7.05452633 3.98823753 9.38001128
0.00033702 -0.00069938 -0.00038517
-0.01084099 0.04582384 -0.02154247
-7.75889402 6.61055111 10.69228210
0.00080769 0.00018482 -0.00069640
0.00263935 -0.00010681 -0.00108388
-2.48637501 -17.75841498 11.43149418
0.00056509 -0.00039475 0.00077812
0.00459286 0.00891257 -0.00364210
-2.88133768 -15.15827976 10.18325550
0.00049549 -0.00059871 -0.00020491
-0.00190104 0.00083602 -0.00098397
8.52588879 -0.57495002 -2.77778889
-0.00090182 -0.00049087 -0.00126192
-0.01162653 0.00016114 -0.01802967
7.78506763 1.12604794 -5.19885501
-0.00101352 0.00019513 -0.00054444
0.00683443 0.02701978 -0.01095739
0.40957549 -11.77227197 1.82105651
-0.00009308 -0.00047585 0.00029090
0.01097715 0.00746722 0.00675988
-0.94434859 -10.49974102 -0.38444652
0.00015391 -0.00036827 -0.00024419
0.00150235 0.01047781 -0.00168957
-19.74328307 -1.63210958 6.94740210
-0.00005038 -0.00001514 -0.00092581
0.00338141 0.00837835 0.00331312
-21.04235253 0.48754678 5.47886989
-0.00046374 -0.00016735 0.00099062
-0.02593538 0.03135672 0.00608385
-4.96457834 8.29308437 -26.08260674
-0.00100938 -0.00034821 -0.00068928
0.04268943 0.00660828 -0.00907781
-5.87570856 7.23654351 -23.30291033
0.00046270 0.00015603 -0.00003758
0.02953017 -0.01181070 0.04264681
4.24378718 1.47286277 -2.66695166
0.00020393 0.00128067 0.00018400
0.02275825 -0.01827983 -0.01586104
1.68847024 0.43624797 -1.56678384
0.00067852 0.00000605 0.00093102
0.00514858 -0.00576392 -0.00758535
14.91169744 7.39411776 5.71741124
-0.00041959 0.00002803 -0.00068506
0.00242085 0.00020403 0.00231410
15.89313219 9.86120865 4.37826011
-0.00063751 -0.00040627 -0.00083779
-0.02083004 -0.02924613 -0.00843304
1.46095187 -11.77308067 -13.80194033
0.00011258 -0.00002271 -0.00018335
0.00106727 0.00387799 0.00269730
-13.56319058 14.54967111 22.66547497
0.00000120 0.00015999 0.00014717
0.00140390 -0.00380440 0.00234457
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02357031
0.33251947
443.06552024
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0537790698
ExchangeOperator: pair fraction: ispin=0: 0.1252785289
ExchangeOperator: bisection time: 1.156 s
total exchange = -52.3756293113 (a.u.)
total exchange computation time: 2.5975811481 s
-154.2136860176
-931.35779004
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0537790698
ExchangeOperator: pair fraction: ispin=0: 0.1252785289
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3746831670 (a.u.)
total exchange computation time: 2.5974869728 s
-154.2220176437
Anderson extrapolation: theta=1.3732489043 (1.3732489043)
-931.35807599
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0537790698
ExchangeOperator: pair fraction: ispin=0: 0.1252785289
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3732397638 (a.u.)
total exchange computation time: 2.5966539383 s
-154.2344097000
Anderson extrapolation: theta=0.0633947469 (0.0633947469)
-931.35825417
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0537790698
ExchangeOperator: pair fraction: ispin=0: 0.1252785289
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3730391180 (a.u.)
total exchange computation time: 2.5995991230 s
-154.2359681730
Anderson extrapolation: theta=2.2091452145 (2.0000000000)
-931.35826331
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0537790698
ExchangeOperator: pair fraction: ispin=0: 0.1252785289
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3726110458 (a.u.)
total exchange computation time: 2.5983419418 s
-154.2391988929
Anderson extrapolation: theta=0.3529086812 (0.3529086812)
-931.35827475
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0537790698
ExchangeOperator: pair fraction: ispin=0: 0.1252785289
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3724649630 (a.u.)
total exchange computation time: 2.5971348286 s
-154.2402144678
Anderson extrapolation: theta=1.2331334169 (1.2331334169)
-931.35827774
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0537790698
ExchangeOperator: pair fraction: ispin=0: 0.1252785289
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3723200317 (a.u.)
total exchange computation time: 2.5993709564 s
-154.2411245059
Anderson extrapolation: theta=0.4416185192 (0.4416185192)
-931.35828039
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0537790698
ExchangeOperator: pair fraction: ispin=0: 0.1252785289
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3722933264 (a.u.)
total exchange computation time: 2.5971920490 s
-154.2411880645
Anderson extrapolation: theta=0.8995737860 (0.8995737860)
-931.35828134
-23.679211 -127.338515 -244.121636
-138.599371 458.712182 -804.178964
-162.278582 331.373668 -1048.300600
1111.340179
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0537790698
ExchangeOperator: pair fraction: ispin=0: 0.1252785289
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3722984634 (a.u.)
total exchange computation time: 2.5992197990 s
678.93203104
-1084.34434390
89.77880244
-388.56166312
-174.79080992
78.62711928
551.60419304
0.00000000
-931.35828192
-9.26179076 -5.43610463 9.58657108
-0.00003319 0.00026364 0.00015555
0.02195158 -0.01588791 0.02831021
-13.87267517 5.10135857 9.06907104
0.00005274 -0.00012529 -0.00016341
0.00783759 -0.01100383 -0.00926768
-15.77090260 1.63557977 2.97763038
-0.00002614 -0.00018895 -0.00013295
-0.03584438 -0.00785881 0.02256177
2.46582272 -19.68997865 13.20209498
0.00000706 0.00002165 0.00028178
-0.05046215 0.02681844 -0.04705305
9.53269978 20.78946424 0.55222663
0.00045247 0.00022565 -0.00013851
-0.00148999 0.01207059 -0.00695520
-11.08690601 12.71623007 15.13352961
-0.00009256 0.00007457 0.00018383
-0.01850862 0.04469229 0.00127570
-6.02614663 1.15625476 -13.02958681
-0.00006975 0.00000673 0.00023963
0.01050945 0.01885506 -0.02141850
-9.06489790 6.50104724 -6.88063901
0.00030251 0.00031989 0.00003092
0.01457852 0.00872721 -0.01443045
-7.64352276 -3.70449588 18.07229244
0.00025445 0.00014618 -0.00000502
0.00413497 0.00687562 -0.04076048
-23.24355620 -7.51056496 -23.37116383
-0.00017363 -0.00032646 -0.00019708
-0.04001415 0.00681040 -0.00859687
8.12897449 12.91418777 6.49896455
0.00053880 0.00021303 0.00026707
0.02357937 -0.03746388 0.03654672
23.38279631 29.16041096 -3.33373502
-0.00035426 -0.00036356 0.00031043
-0.00649817 -0.00843960 -0.00393168
9.15362845 -0.18888371 -14.63481664
0.00048447 0.00027132 0.00009268
0.03193364 -0.00232804 -0.00147208
-8.91132056 -0.97391090 12.76969137
-0.00039145 -0.00029281 -0.00027084
-0.00436748 -0.03083339 -0.03818351
-2.06481185 -25.94841721 10.41643021
-0.00028676 0.00000899 0.00034378
0.02105098 0.00334592 -0.01798372
-15.13496825 -4.25821038 -7.22317187
-0.00015219 0.00023144 0.00010245
-0.01125107 0.00780084 -0.02141607
-19.39398609 -10.96944744 -18.30096642
0.00009448 -0.00011336 0.00000477
-0.01798621 -0.04826749 0.01566275
21.45362298 5.11681048 4.67257745
-0.00046616 0.00030941 -0.00003400
0.01500059 0.04236235 -0.01883624
18.90435441 -11.67276109 -13.46303428
0.00087332 0.00000668 0.00013316
-0.00925626 0.01213798 0.00960688
-2.90107370 -0.18164064 -6.69823097
-0.00037595 -0.00033753 0.00023402
-0.00677509 0.02516406 -0.00822643
-3.97008409 -3.17791549 -17.51188293
0.00032187 -0.00009505 -0.00009940
-0.01372229 0.03331149 0.00287758
14.23058174 16.43888831 -21.22858356
-0.00013302 0.00000192 -0.00006651
-0.01513960 0.00090054 0.02054792
-14.79136663 17.29479481 -13.21547924
0.00040462 0.00056590 -0.00015721
0.01198188 0.04071899 0.04883874
1.66176166 15.03911355 8.22541946
-0.00024637 0.00006989 -0.00041013
-0.05487326 0.03393428 0.00269684
-4.55015889 -9.30501225 3.96209404
0.00021867 0.00018380 -0.00014359
-0.01258140 0.00056886 0.04094479
2.12795452 -5.21666585 2.36788796
0.00003366 0.00007222 -0.00013211
-0.03015231 0.00135356 0.03876515
9.72422539 7.05641039 4.54705336
-0.00009897 0.00004870 -0.00002717
-0.00537167 0.01625916 -0.01989553
-9.18138694 -10.04004635 -2.82473166
-0.00014152 -0.00043315 0.00001303
0.02787376 -0.01500847 0.01033200
3.56519841 -15.57275653 -12.97828675
0.00001545 -0.00010849 -0.00026208
-0.04521262 -0.01614948 0.01135441
3.80322305 -5.72139186 -3.47837534
-0.00007830 0.00012249 0.00027437
-0.03093815 0.02437358 -0.02079012
18.44519029 1.87343607 24.57782058
-0.00012714 0.00022254 -0.00008309
-0.00891360 0.00403992 -0.00407124
-8.79425744 2.72530510 1.51807766
-0.00012399 -0.00022400 0.00006245
0.01193849 -0.00035342 -0.01153395
-6.33275690 12.83958470 -9.90142868
0.00049452 -0.00026655 0.00025999
0.00348117 -0.00056977 -0.00706667
1.64156922 13.18287460 -7.57289760
-0.00005570 0.00023382 -0.00001207
0.00723760 -0.01030881 -0.03406530
-10.82816119 10.10116380 -12.52117710
-0.00032143 0.00002754 -0.00003167
-0.03064167 0.04510941 0.02027597
8.00275415 4.20879019 14.54918366
-0.00027660 -0.00031602 0.00001787
-0.03145699 0.00280873 -0.00384746
-15.61856263 9.57530411 -8.21457941
0.00032255 0.00038204 0.00046809
-0.01700656 0.00816963 0.00095824
8.88351815 7.78382648 -2.98482307
-0.00026606 0.00003571 -0.00009289
-0.03378125 0.00806338 -0.04409804
14.15419363 -20.65283680 -26.79529880
0.00002998 -0.00019546 0.00017930
0.01430588 0.01770837 -0.03475223
4.96071967 7.08156399 1.50083291
0.00006158 -0.00018326 0.00034020
0.04430633 -0.04488491 -0.01709933
18.43933648 -5.85297463 -7.51661306
-0.00030838 -0.00004046 -0.00026442
0.01982675 -0.01763873 -0.01148958
-1.84918389 -1.99238956 -2.06370049
-0.00016487 -0.00026324 -0.00004840
0.01820662 -0.02998749 0.02392026
2.77449813 -2.01621797 -12.02149583
0.00005730 -0.00019396 -0.00005404
0.01810383 -0.00046219 0.00128798
19.59004083 9.36457904 -6.27069621
0.00003429 0.00000169 0.00016475
0.00288116 0.00010385 0.01423028
-7.46592556 5.92545601 9.01758551
-0.00026046 -0.00032726 -0.00032740
0.01009198 -0.04611923 0.01415203
-1.89365374 -16.02114001 11.46670405
0.00018202 -0.00013495 -0.00021258
-0.00456087 -0.00929273 0.00591469
7.52390564 -0.44198417 -4.39520418
0.00023993 -0.00014474 -0.00038304
0.00326834 -0.01394810 0.02789385
-0.93049289 -12.04057566 0.61240766
-0.00014724 -0.00014407 0.00005456
-0.01259777 -0.02031881 -0.00015294
-19.97150293 -0.87902114 5.25625470
0.00008902 0.00040470 0.00018200
0.01923343 -0.02794116 -0.01793603
-6.19719710 7.77613788 -24.92554067
-0.00034228 0.00025183 -0.00051592
-0.07026399 0.00783470 -0.01705028
2.77674931 1.87847712 -1.76309719
-0.00052392 0.00000335 -0.00016165
-0.02959685 0.02346870 0.02095519
14.86006426 8.26394847 4.09444484
-0.00014487 0.00004178 0.00020840
0.01239842 0.02468755 0.00138653
-8.23952712 -6.70904521 10.63778347
0.00013433 -0.00092436 -0.00036991
-0.01849637 0.01867038 -0.02526996
-10.01079616 -6.36115199 8.21946509
0.00012445 0.00066892 0.00042305
-0.00049252 -0.00546545 0.00054714
-13.25647995 6.18111615 7.71279607
0.00048802 -0.00016663 0.00001081
-0.00024263 0.00118673 -0.00321185
-13.88957045 3.45157248 8.19990402
-0.00015926 -0.00013072 -0.00076189
0.00165969 0.00719197 0.01904280
-15.03926848 1.82976525 4.69236207
0.00000136 -0.00009609 0.00017885
-0.00488197 -0.01047449 -0.02010719
-17.43841182 0.68438850 3.30577525
0.00042165 0.00021677 0.00032934
0.03541214 0.02176811 0.00011852
3.32812553 -21.08256651 12.61489172
-0.00086830 -0.00115987 -0.00066208
0.02113920 -0.04131237 -0.01859596
3.02737915 -19.34896213 14.78231190
-0.00006983 0.00029169 0.00110110
0.02386725 0.01686137 0.06185894
9.37114594 19.08394116 1.14603149
-0.00081968 -0.00073693 -0.00060286
-0.00123204 -0.01408456 -0.00454209
8.05349763 21.66640626 1.27874282
0.00083645 -0.00053828 -0.00006340
0.01027007 0.00499097 0.00515777
-10.41401234 12.86622506 16.93582514
-0.00048568 -0.00079531 0.00009796
-0.00627036 -0.00907557 -0.02058186
-11.95141427 14.41011984 14.84757879
0.00093071 0.00015878 0.00125433
0.01826121 -0.03763066 0.00428232
-5.73685424 -0.02391377 -14.39885777
-0.00062462 -0.00030705 0.00040151
-0.00035266 0.00056871 0.00939014
-6.29797236 0.37202194 -11.44210462
0.00008177 -0.00029983 -0.00107930
-0.00920142 -0.02170837 0.01279891
-8.47110718 8.12463639 -6.27185128
0.00035693 0.00057990 -0.00000345
0.00310339 -0.00494205 -0.00686503
-10.12963811 6.10255899 -5.50383294
0.00064584 0.00013616 0.00073095
-0.02117645 -0.00331104 0.01754384
-7.45450676 -1.89303165 18.11724746
-0.00030417 -0.00103773 0.00004349
-0.00254063 -0.00010825 -0.00170145
-7.62050278 -4.23690290 19.75003604
0.00070296 0.00021717 -0.00035310
0.00082549 -0.01212372 0.03998597
-24.79648808 -6.52322882 -23.19232775
0.00023878 0.00086380 0.00001426
0.00043424 -0.01478222 -0.00438748
-22.14925685 -6.11730609 -23.17261809
0.00004786 -0.00015494 -0.00045173
0.02955802 0.01136570 0.00030887
8.81233222 12.91390766 4.82884280
0.00001716 0.00038980 -0.00114737
0.00034747 0.00625360 -0.01736945
9.18631522 11.55012433 7.43858020
-0.00039747 0.00052036 0.00033469
-0.02079975 0.03237906 -0.01839365
23.12431167 27.53597336 -2.50778997
0.00130272 -0.00132149 0.00075351
0.00746654 -0.00097996 -0.00786570
23.23485628 30.29909841 -1.93147387
-0.00011285 -0.00011800 0.00016326
-0.00279514 0.01042902 0.00979018
11.00057922 -0.66596708 -14.54969643
-0.00013235 -0.00045482 0.00000526
-0.04269502 0.00893931 0.00037102
8.17279732 -1.71689168 -14.26441149
-0.00044075 0.00055534 -0.00085961
0.00958454 -0.00203358 -0.00218308
-9.87797640 -0.87066869 14.24417227
0.00045194 0.00034448 -0.00003144
-0.01166603 0.00522906 0.03039149
-9.68356738 -2.45666815 11.86863110
0.00095066 0.00022353 -0.00076866
0.01889219 0.02160402 0.00901396
-2.79516246 -26.36275173 12.03820709
0.00021911 0.00019753 -0.00019776
-0.01242036 -0.00549469 0.00544075
-3.22478368 -25.85114125 9.01970340
0.00011823 0.00017227 -0.00029403
-0.00762176 0.00049320 0.00458687
-14.57705038 -2.78851640 -6.21766804
-0.00016765 0.00105364 -0.00022930
0.00277204 -0.00142609 0.00795269
-16.32664749 -3.38508163 -8.34213892
0.00021901 0.00009372 -0.00077979
0.00836543 -0.01306119 0.00297607
-18.80776648 -9.35164697 -18.65440003
-0.00087332 0.00110272 -0.00068172
0.01967174 0.03412647 -0.01003757
-18.18350715 -12.27793253 -18.80884293
-0.00070772 -0.00061156 0.00039982
0.00013833 0.01160776 -0.00370306
22.48425099 6.05720355 3.40672810
0.00064612 -0.00019770 0.00007446
-0.00246677 -0.02735238 0.00825516
20.51160096 6.62123821 5.14010175
-0.00083741 0.00053255 0.00085449
-0.01027341 -0.01015449 0.01300487
17.98022209 -11.03689702 -11.89389557
0.00020380 0.00102012 0.00115228
0.00626211 -0.00579966 -0.03217734
18.18591802 -10.79032152 -14.95124223
0.00035377 0.00036645 0.00025308
0.00471191 -0.00403557 0.02008366
-2.45393493 1.43998598 -7.46791001
0.00038159 -0.00059787 0.00076810
0.00953807 -0.01516875 0.00490228
-4.58935861 0.21669238 -6.11118831
-0.00005929 0.00075860 -0.00011837
-0.00357972 -0.00613704 0.00047025
-2.83511284 -4.45848419 -18.00058524
-0.00020517 0.00032837 -0.00075187
0.01222713 -0.01450731 -0.01036514
-3.66805150 -1.66885453 -18.59407802
0.00021795 0.00009780 -0.00041558
-0.00195770 -0.01313140 0.01196205
13.60755970 17.20524799 -19.63092667
0.00058860 0.00090072 -0.00022282
0.01238495 -0.00711266 -0.02412017
12.67373085 15.67949960 -21.93194744
0.00022093 -0.00010263 -0.00084042
0.00514015 0.00489105 0.00767498
-13.59196431 17.23631945 -11.76065708
-0.00068109 -0.00016607 -0.00006655
-0.01874425 0.00160416 -0.02138852
-14.63752508 15.67478201 -13.92516183
-0.00011288 -0.00036169 -0.00060681
0.00032088 -0.03716594 -0.02531214
1.42711850 15.72685699 6.54359515
0.00031034 0.00034010 0.00007163
0.01804414 -0.01027926 -0.00750846
0.09209511 16.00949749 8.89226344
-0.00016489 -0.00002113 -0.00097169
0.03534883 -0.02860568 0.00653907
-5.91554696 -8.55539409 3.06165464
0.00138118 0.00083504 -0.00068003
-0.00880764 0.01246552 -0.01438586
-3.36883670 -9.97202072 2.82310292
0.00047349 -0.00084225 0.00140072
0.02307402 -0.01340921 -0.03012981
1.69675192 -3.55410865 3.05280906
-0.00053055 -0.00113608 -0.00095150
-0.00001905 -0.00418790 0.01081459
3.09279504 -4.67828561 1.02733777
-0.00100347 0.00110826 0.00125346
0.03624265 0.00500995 -0.04509062
8.39130324 7.80033821 3.43824919
-0.00109623 0.00067478 -0.00038864
0.01896867 -0.01032668 0.01528387
11.30677388 8.01587598 4.27934380
0.00025304 0.00015321 -0.00098233
-0.00866138 -0.00550404 -0.00153520
-8.06278714 -11.49166041 -2.44885158
0.00026372 0.00142906 0.00044867
-0.00167083 0.00304378 -0.01183325
-10.12940950 -9.87894364 -1.31361397
-0.00030685 -0.00046035 0.00035886
-0.01960731 0.00958868 0.01507662
5.35079769 -15.39201685 -12.61435023
-0.00033814 0.00024345 0.00017290
-0.00480200 -0.02155335 0.00511245
2.65278146 -17.01457497 -12.02014859
-0.00048073 0.00005996 0.00050709
0.03797096 0.04066759 -0.01632251
4.83377146 -5.07649567 -4.89139522
-0.00028995 0.00031612 0.00083117
0.00792702 -0.00995007 0.01524388
4.72308324 -6.81201746 -2.42989264
0.00113289 -0.00030826 0.00043808
0.02720340 -0.01647484 0.00946575
16.80858385 2.61798713 24.10276375
0.00005219 0.00008848 -0.00022500
0.00279251 -0.01195982 0.00437935
19.27721047 3.23071837 25.53460233
0.00051112 -0.00019095 0.00066347
0.00543009 -0.00814562 -0.00506959
-9.62139631 1.09226283 1.40890041
0.00040256 -0.00055274 -0.00009532
-0.01166486 0.00685755 0.00778412
-9.77294621 3.96984494 2.41946194
-0.00025107 -0.00095769 0.00066020
-0.00818942 -0.00733420 0.00010186
-5.18386164 13.85338075 -8.84899052
0.00082942 -0.00111931 0.00043986
-0.01252395 0.00265707 -0.00151218
-7.82252476 12.45159293 -8.89964137
0.00101838 -0.00006268 -0.00009371
-0.00350405 0.00052737 0.00177155
0.61544088 11.85287736 -6.88052421
0.00151003 -0.00036052 0.00068105
-0.00274875 0.00800285 0.01308465
2.00690790 14.60019830 -6.52154102
-0.00057180 -0.00033503 -0.00012222
-0.00305667 -0.00250451 0.02344171
-10.41029668 8.44071325 -12.84558997
-0.00079097 -0.00051036 0.00005816
0.01514245 -0.04867004 -0.01418694
-12.08358260 9.94962503 -11.16585937
0.00040758 -0.00040419 0.00030675
0.00909278 0.00450169 -0.00613236
7.42530799 5.06579480 12.96142295
0.00030792 0.00077292 0.00046136
0.02293075 -0.01767717 0.02433488
9.75625406 3.84193250 14.52833116
-0.00009732 -0.00008979 0.00054355
0.01114453 0.00527646 -0.01836822
-14.10641195 10.26186396 -7.49028049
-0.00049817 0.00021067 0.00117611
0.01252054 0.01282158 -0.00016852
-16.89500440 10.91687717 -7.98562117
-0.00019825 -0.00015497 0.00009833
0.00832495 -0.01154931 -0.00250500
8.99207663 9.46353454 -2.36295622
0.00020678 -0.00091484 0.00004486
0.01041841 0.01624580 0.01784000
7.88654668 8.27752826 -4.57610595
-0.00025490 0.00016831 -0.00048423
0.01670437 -0.02929348 0.03008487
14.47512707 -18.95057167 -27.56135079
0.00018832 0.00020362 -0.00007331
-0.00638475 -0.02004743 0.01350092
13.46644954 -20.38276456 -25.17492269
-0.00034328 -0.00026590 -0.00022459
-0.00625875 0.01134244 0.02462489
5.42799360 5.34132614 2.17296875
-0.00059144 -0.00097425 0.00021929
-0.01648423 0.02451054 -0.00317184
6.04319260 6.91691376 -0.08500515
-0.00015278 -0.00022050 -0.00045659
-0.02447789 0.01568285 0.02091248
19.58612943 -7.07031780 -6.76336076
0.00027663 0.00150920 -0.00018838
0.00243534 0.00887514 0.00248739
17.49557054 -5.08114065 -6.20031149
-0.00023238 0.00017894 0.00076237
-0.01626090 0.01035227 0.01986566
-2.62879676 -0.82102153 -0.99648426
0.00004686 0.00007553 -0.00050868
-0.01432602 0.01992586 0.02985276
-2.05877924 -1.20153063 -3.62764961
-0.00037570 -0.00006686 -0.00025793
0.00144196 0.01085858 -0.04533795
3.90952420 -3.46115988 -12.04945478
-0.00024919 0.00079699 -0.00023055
0.00140833 -0.00084046 -0.00551821
1.12293029 -2.71615811 -11.70425723
-0.00034477 -0.00026180 -0.00028644
-0.01386145 -0.00094516 0.00398700
19.55678619 8.23810215 -7.69800622
0.00024142 0.00003096 -0.00071803
0.00045734 -0.00556518 -0.01379019
20.82715568 8.51584320 -5.17487147
0.00070363 -0.00081433 0.00081008
0.00342209 -0.00063762 0.00049772
-7.04980321 3.97915106 9.37357358
0.00029139 -0.00050951 -0.00047248
-0.01149784 0.04711631 -0.02119574
-7.74669777 6.61332016 10.68180287
0.00081771 0.00018558 -0.00069644
0.00226308 0.00047768 0.00106408
-2.47775795 -17.76406306 11.44305438
0.00058383 -0.00035640 0.00076257
0.00458257 0.00985673 -0.00396825
-2.87396358 -15.16723486 10.18015164
0.00048419 -0.00059316 -0.00021295
-0.00362821 0.00188428 -0.00294924
8.51200520 -0.58230807 -2.79727024
-0.00094015 -0.00048915 -0.00132285
-0.00713514 0.00068054 -0.01179643
7.77007430 1.12980280 -5.20735733
-0.00098567 0.00030186 -0.00058636
0.00679748 0.02522878 -0.00956563
0.40851561 -11.77918087 1.82562721
-0.00005016 -0.00044522 0.00031642
0.01003404 0.00752720 0.00572948
-0.94199388 -10.50494400 -0.38816112
0.00015990 -0.00032540 -0.00025040
0.00142963 0.01050829 -0.00135282
-19.74393522 -1.63207989 6.93361641
-0.00003484 0.00001448 -0.00090316
0.00422783 0.00612010 0.00777703
-21.05010338 0.48599740 5.49391561
-0.00056878 -0.00004051 0.00101521
-0.02548124 0.03073250 0.00595252
-4.97841093 8.28806376 -26.09322406
-0.00082831 -0.00031895 -0.00073227
0.04594503 0.00771192 -0.01196966
-5.86786310 7.23852206 -23.30216714
0.00058066 0.00011253 0.00012149
0.02820894 -0.00948194 0.03521685
4.24754358 1.49151274 -2.66467769
0.00029323 0.00120620 0.00012183
0.02095077 -0.01817788 -0.01456990
1.69880582 0.43616212 -1.55305103
0.00069487 -0.00002547 0.00090016
0.00285257 -0.00966722 -0.00751869
14.90547783 7.39454449 5.70720618
-0.00040870 0.00002455 -0.00066518
0.00290742 -0.00190833 0.00742091
15.88293126 9.85421843 4.36543481
-0.00071794 -0.00051888 -0.00086883
-0.01853970 -0.02588004 -0.00676260
1.46264341 -11.77341085 -13.80468332
0.00011295 -0.00002131 -0.00018238
0.00103455 0.00394578 0.00273382
-13.56317017 14.55206430 22.66768658
0.00000151 0.00015910 0.00014771
0.00127900 -0.00381040 0.00234886
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02365934
0.33462259
445.86782086
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0539244186
ExchangeOperator: pair fraction: ispin=0: 0.1257111952
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3769170052 (a.u.)
total exchange computation time: 2.5097539425 s
-154.2129060994
-931.36070156
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0539244186
ExchangeOperator: pair fraction: ispin=0: 0.1257111952
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3760130271 (a.u.)
total exchange computation time: 2.5093560219 s
-154.2211553565
Anderson extrapolation: theta=1.3691884386 (1.3691884386)
-931.36097411
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0539244186
ExchangeOperator: pair fraction: ispin=0: 0.1257111952
ExchangeOperator: bisection time: 1.156 s
total exchange = -52.3746577046 (a.u.)
total exchange computation time: 2.5105991364 s
-154.2332967033
Anderson extrapolation: theta=0.0595796376 (0.0595796376)
-931.36114188
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0539244186
ExchangeOperator: pair fraction: ispin=0: 0.1257111952
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3744890146 (a.u.)
total exchange computation time: 2.5125629902 s
-154.2347108724
Anderson extrapolation: theta=2.1175066538 (2.0000000000)
-931.36114962
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0539244186
ExchangeOperator: pair fraction: ispin=0: 0.1257111952
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3741355705 (a.u.)
total exchange computation time: 2.5113830566 s
-154.2376205689
Anderson extrapolation: theta=0.3062824258 (0.3062824258)
-931.36115880
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0539244186
ExchangeOperator: pair fraction: ispin=0: 0.1257111952
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3740360682 (a.u.)
total exchange computation time: 2.5098860264 s
-154.2383951572
Anderson extrapolation: theta=1.5075028660 (1.5075028660)
-931.36116099
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0539244186
ExchangeOperator: pair fraction: ispin=0: 0.1257111952
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3739230023 (a.u.)
total exchange computation time: 2.5125288963 s
-154.2392238305
Anderson extrapolation: theta=0.3909311237 (0.3909311237)
-931.36116317
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0539244186
ExchangeOperator: pair fraction: ispin=0: 0.1257111952
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3739159193 (a.u.)
total exchange computation time: 2.5095980167 s
-154.2392184587
Anderson extrapolation: theta=1.0721223787 (1.0721223787)
-931.36116380
-23.661684 -127.347051 -244.158145
-138.587359 458.690155 -804.196391
-162.249043 331.343104 -1048.354536
1111.377631
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0539244186
ExchangeOperator: pair fraction: ispin=0: 0.1257111952
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3739360718 (a.u.)
total exchange computation time: 2.5092959404 s
678.96028194
-1084.38576758
89.76872409
-388.53574232
-174.79472420
78.64645585
551.60419304
0.00000000
-931.36116413
-9.26220389 -5.43221124 9.58901358
-0.00002105 0.00025521 0.00017108
0.02525693 -0.01689441 0.03207573
-13.87185378 5.09943676 9.06658410
0.00005674 -0.00013131 -0.00016842
0.00771934 -0.01238437 -0.01021381
-15.77143291 1.63271522 2.97572315
-0.00004385 -0.00019253 -0.00012089
-0.03304138 -0.00607647 0.02434763
2.46573394 -19.68955050 13.20614024
-0.00001703 0.00003433 0.00025907
-0.04322016 0.02248507 -0.04127706
9.53948105 20.79289557 0.55012219
0.00045217 0.00022950 -0.00014175
0.00032286 0.00290385 -0.00563703
-11.08836585 12.71752105 15.13629203
-0.00010176 0.00009683 0.00018452
-0.01725084 0.04185678 0.00137537
-6.02715229 1.15642851 -13.02607492
-0.00006394 0.00001709 0.00022664
0.01208909 0.02142141 -0.02910476
-9.06030403 6.50587922 -6.88023092
0.00030949 0.00032448 0.00002431
0.01255830 0.00913340 -0.01125427
-7.63969009 -3.70227667 18.07205996
0.00025631 0.00014740 -0.00002649
0.00312123 -0.00211766 -0.04272879
-23.24631501 -7.51543557 -23.37415320
-0.00019413 -0.00032190 -0.00020132
-0.03971350 0.01091333 -0.00789740
8.13714740 12.91723875 6.50311157
0.00055097 0.00019462 0.00028332
0.02375660 -0.03412023 0.02664790
23.37745729 29.15492499 -3.32909375
-0.00035764 -0.00036908 0.00030898
-0.00663909 -0.01303313 -0.00170446
9.16101872 -0.18482293 -14.63343210
0.00049999 0.00027018 0.00009181
0.02840703 -0.00210336 -0.00191435
-8.91720912 -0.97842206 12.76548143
-0.00039263 -0.00030754 -0.00029037
-0.00024532 -0.02641115 -0.03776257
-2.06903204 -25.94826938 10.42151752
-0.00027548 0.00001115 0.00033283
0.02280200 0.00503698 -0.02459482
-15.13729446 -4.25470873 -7.22171778
-0.00015795 0.00023612 0.00009151
-0.01115581 0.01042768 -0.02109531
-19.39263820 -10.97133409 -18.30083444
0.00008536 -0.00013555 0.00001269
-0.01749455 -0.03801882 0.01511783
21.44668847 5.12161510 4.67199474
-0.00045872 0.00033192 -0.00004344
0.01390734 0.04515629 -0.01787209
18.91741854 -11.67261412 -13.46099985
0.00086749 0.00001380 0.00013919
-0.01342124 0.01555829 0.01383006
-2.90673907 -0.18660659 -6.69475236
-0.00037928 -0.00032498 0.00022992
-0.00618281 0.02365073 -0.00771263
-3.96530894 -3.17921279 -17.51336278
0.00031440 -0.00007688 -0.00009796
-0.01532627 0.03734062 0.00269810
14.22852809 16.43892056 -21.22950189
-0.00014042 0.00000239 -0.00005624
-0.01364390 0.00094468 0.01937666
-14.78525105 17.30344044 -13.21764907
0.00041022 0.00058461 -0.00013394
0.00979553 0.03201120 0.04167541
1.65785451 15.04029287 8.21927790
-0.00027419 0.00008694 -0.00040827
-0.05331979 0.03233990 0.00455088
-4.54692734 -9.30225304 3.96009816
0.00021211 0.00018418 -0.00012165
-0.01293838 0.00089736 0.04436723
2.12834314 -5.21557728 2.36605577
0.00001700 0.00007014 -0.00011067
-0.03463397 -0.00946411 0.04461657
9.72272010 7.05720365 4.54656905
-0.00010226 0.00005813 -0.00003853
-0.00740605 0.02041266 -0.02428037
-9.18340226 -10.04660149 -2.82449632
-0.00012882 -0.00043927 0.00001897
0.02151602 -0.00880964 0.01275686
3.56525580 -15.57444610 -12.98217421
-0.00000844 -0.00011710 -0.00025609
-0.04768809 -0.01735451 0.01196394
3.80192915 -5.71946048 -3.47434000
-0.00009330 0.00013315 0.00026583
-0.02737949 0.01707701 -0.01240641
18.44324877 1.87678968 24.57655852
-0.00013105 0.00022464 -0.00008481
-0.00627912 0.00414593 -0.00262994
-8.79607126 2.72194380 1.51896999
-0.00011778 -0.00022447 0.00005639
0.01222501 -0.00149091 -0.01204829
-6.32532571 12.83558422 -9.89755611
0.00049716 -0.00026682 0.00025549
0.00679115 -0.00049084 -0.01043321
1.64076156 13.18634218 -7.57321011
-0.00005215 0.00022779 -0.00003032
0.00659542 -0.01315814 -0.03687024
-10.83310088 10.10175088 -12.52157387
-0.00033655 0.00004940 -0.00002172
-0.02812704 0.03991377 0.01840847
7.99848380 4.20406074 14.54943693
-0.00029233 -0.00031468 0.00001609
-0.02970677 0.00238182 -0.00310433
-15.61379004 9.58106629 -8.20755433
0.00031310 0.00038565 0.00046820
-0.01971071 0.00586411 -0.00052938
8.87939690 7.78439318 -2.98638656
-0.00028373 0.00003825 -0.00011644
-0.03490057 0.00183035 -0.04747002
14.15469857 -20.65570043 -26.79274328
0.00003764 -0.00018584 0.00016074
0.01547311 0.01972251 -0.03744336
4.96181430 7.07864200 1.50586991
0.00008458 -0.00020683 0.00033105
0.04514307 -0.04678586 -0.01845810
18.43478721 -5.85364953 -7.52062361
-0.00029989 -0.00004793 -0.00026922
0.01321079 -0.01141809 -0.00721253
-1.85158668 -1.99645390 -2.06433421
-0.00015558 -0.00027832 -0.00003698
0.01791724 -0.02864359 0.02049250
2.77542739 -2.01912919 -12.02230142
0.00006475 -0.00019294 -0.00005315
0.01088048 0.00443520 0.00214750
19.59056627 9.36460475 -6.26817006
0.00003699 0.00000009 0.00017210
0.00761213 -0.00630281 0.01434415
-7.46979349 5.92036916 9.01272911
-0.00025510 -0.00035122 -0.00032081
0.01072848 -0.04704727 0.01148336
-1.89094110 -16.02320010 11.46353815
0.00018013 -0.00014012 -0.00020895
-0.00277307 -0.01082150 0.00819826
7.52751714 -0.44420909 -4.40084219
0.00024040 -0.00015107 -0.00037104
-0.00144036 -0.01064719 0.01878987
-0.93275012 -12.04281504 0.61322544
-0.00015340 -0.00015447 0.00005473
-0.01135368 -0.02011696 0.00081164
-19.97009339 -0.87305843 5.25891557
0.00009829 0.00039146 0.00017165
0.01679734 -0.02355432 -0.02232273
-6.20260238 7.77994554 -24.93334520
-0.00037840 0.00025492 -0.00052186
-0.07016609 0.00418481 -0.00605170
2.76877630 1.87861783 -1.76544110
-0.00053780 0.00001635 -0.00015146
-0.02435913 0.02710759 0.01867823
14.85793906 8.26467036 4.09757618
-0.00013935 0.00005396 0.00020740
0.00905639 0.02269624 -0.00528999
-8.23807890 -6.72233848 10.63146043
0.00005657 -0.00084283 -0.00047424
-0.01957001 0.02123927 -0.02580060
-10.00894445 -6.35128571 8.22582765
0.00011840 0.00064343 0.00041863
-0.00246916 -0.00701004 -0.00271110
-13.24916714 6.17865311 7.71285976
0.00048678 -0.00016137 -0.00000229
-0.00036330 0.00138904 -0.00319906
-13.89190851 3.44983203 8.18905913
-0.00015225 -0.00009856 -0.00068185
0.00177158 0.00854966 0.02013925
-15.03939771 1.82800294 4.69442861
-0.00001908 -0.00013865 0.00009336
-0.00512041 -0.01035728 -0.02173858
-17.43100187 0.68830705 3.31071898
0.00056093 0.00030263 0.00032957
0.03276311 0.02026075 -0.00000535
3.31574885 -21.10123057 12.60439074
-0.00079112 -0.00131317 -0.00072926
0.01663771 -0.03372692 -0.01429270
3.02706300 -19.34407014 14.80072395
0.00002186 0.00035370 0.00133284
0.02101924 0.01349629 0.05157801
9.35881303 19.07245558 1.13684934
-0.00082206 -0.00078191 -0.00062620
0.00006509 -0.00793200 -0.00687905
8.06635912 21.65848505 1.27794995
0.00087219 -0.00051295 -0.00004020
0.00722598 0.00740479 0.00619571
-10.42148965 12.85401735 16.93666385
-0.00050961 -0.00083217 0.00001577
-0.00544388 -0.00896808 -0.01965199
-11.93689401 14.41134849 14.86652503
0.00100109 0.00001105 0.00126901
0.01618831 -0.03468779 0.00290293
-5.74623440 -0.02850210 -14.39254734
-0.00062591 -0.00030355 0.00043823
-0.00027614 0.00114569 0.00858473
-6.29702770 0.36685932 -11.45790195
0.00004108 -0.00039491 -0.00100976
-0.01071790 -0.02483297 0.02124452
-8.46565820 8.13318339 -6.27211340
0.00036826 0.00055663 -0.00003242
0.00244300 -0.00644898 -0.00731483
-10.12059947 6.10449986 -5.49233109
0.00056436 0.00012464 0.00079691
-0.01870529 -0.00232749 0.01474459
-7.45914723 -1.90860098 18.11784763
-0.00031234 -0.00101785 0.00003627
-0.00145810 0.00984327 -0.00183208
-7.60993312 -4.23401679 19.74596485
0.00070644 0.00016537 -0.00018516
0.00087988 -0.01323693 0.04221976
-24.79289308 -6.51072485 -23.19224828
0.00024246 0.00080017 -0.00000411
0.00136716 -0.01636142 -0.00460353
-22.14763324 -6.11928195 -23.17938464
0.00016671 -0.00011345 -0.00045169
0.02862272 0.00894725 -0.00028778
8.81260027 12.91994628 4.81110000
0.00001243 0.00041424 -0.00119996
-0.00266295 0.00571065 -0.00837336
9.17971576 11.55892187 7.44303697
-0.00047722 0.00064749 0.00026122
-0.01823744 0.02985206 -0.01757329
23.14408125 27.51612095 -2.49672842
0.00133395 -0.00131464 0.00071684
0.00782260 0.00433578 -0.01008017
23.23307787 30.29764802 -1.92872504
-0.00012462 -0.00007695 0.00020323
-0.00296680 0.00966341 0.00977528
10.99728566 -0.67251550 -14.54960615
-0.00030109 -0.00041935 0.00000705
-0.03990489 0.00842506 0.00050603
8.16647983 -1.70862385 -14.27737250
-0.00040032 0.00054741 -0.00086790
0.01020301 -0.00184970 -0.00187835
-9.87155479 -0.86534120 14.24463196
0.00040202 0.00036393 0.00009332
-0.01277081 0.00428840 0.03068049
-9.66872854 -2.45265314 11.85737742
0.00102156 0.00030459 -0.00073304
0.01581356 0.01807289 0.00842368
-2.79225644 -26.35995720 12.03540742
0.00016286 0.00017271 -0.00016650
-0.01511522 -0.00665389 0.00986108
-3.22324381 -25.84854216 9.01543348
0.00008907 0.00017376 -0.00027142
-0.00665256 0.00023913 0.00648109
-14.57948023 -2.77275552 -6.22086382
-0.00015827 0.00104277 -0.00019989
0.00182011 -0.00389356 0.00644139
-16.32310605 -3.38407610 -8.35374461
0.00025477 0.00003880 -0.00076541
0.00914084 -0.01382224 0.00406398
-18.82026347 -9.33406042 -18.66493339
-0.00079839 0.00122196 -0.00071972
0.01700818 0.02424377 -0.00856433
-18.19411874 -12.28675025 -18.80295912
-0.00070264 -0.00056463 0.00038249
0.00235125 0.01136423 -0.00477762
22.49386722 6.05339986 3.40809795
0.00063146 -0.00030878 0.00011160
-0.00470971 -0.02702207 0.00992679
20.49872500 6.62891537 5.15331761
-0.00087263 0.00048431 0.00090254
-0.00696716 -0.01346065 0.01051664
17.98347105 -11.02177291 -11.87759743
0.00023568 0.00099079 0.00101040
0.00934340 -0.00855744 -0.03727307
18.19136894 -10.78494840 -14.94683067
0.00037444 0.00034814 0.00033679
0.00540922 -0.00493047 0.02089696
-2.44791882 1.43055303 -7.45623835
0.00042244 -0.00065622 0.00078582
0.01045886 -0.01339354 0.00377336
-4.59035770 0.22788340 -6.11294949
-0.00007694 0.00073297 -0.00011509
-0.00505797 -0.00641166 0.00113476
-2.83781567 -4.45400323 -18.01218098
-0.00015081 0.00026291 -0.00079599
0.01438202 -0.01753638 -0.01123135
-3.66484222 -1.66778988 -18.59994524
0.00020873 0.00004222 -0.00036441
-0.00255658 -0.01407691 0.01308618
13.61676821 17.21854090 -19.63500810
0.00063678 0.00087038 -0.00032166
0.01120009 -0.00774063 -0.02426007
12.67720234 15.67811008 -21.94431849
0.00024190 -0.00008125 -0.00080642
0.00512331 0.00557108 0.00896763
-13.60275497 17.23387748 -11.76231074
-0.00075184 -0.00015918 -0.00014762
-0.01588942 0.00177329 -0.01829404
-14.63920845 15.66821781 -13.93503968
-0.00011285 -0.00049630 -0.00070259
-0.00030454 -0.02872591 -0.02156940
1.43232651 15.73164357 6.54443949
0.00038388 0.00030011 0.00003484
0.01795508 -0.00929713 -0.01049972
0.09070497 16.00830390 8.87788842
-0.00002319 -0.00013688 -0.00094257
0.03401438 -0.02805418 0.00771493
-5.89509910 -8.54248643 3.05101330
0.00134192 0.00088755 -0.00074185
-0.01041347 0.01323374 -0.01587366
-3.36102724 -9.98506540 2.84319051
0.00057160 -0.00089925 0.00127321
0.02495164 -0.01449253 -0.03228878
1.68879307 -3.57127825 3.03886796
-0.00053710 -0.00113797 -0.00089779
-0.00318670 0.00326735 0.01547566
3.07885362 -4.66150824 1.04475795
-0.00083942 0.00113510 0.00104727
0.04405848 0.00812899 -0.05584135
8.37544106 7.81014344 3.43288788
-0.00100956 0.00062677 -0.00031868
0.02345447 -0.01317218 0.01896357
11.31030408 8.01800546 4.26456187
0.00021261 0.00012772 -0.00098704
-0.01112856 -0.00697142 -0.00077395
-8.05888256 -11.47013126 -2.44248416
0.00026561 0.00142981 0.00040253
0.00259658 -0.00267441 -0.01075000
-10.13461304 -9.88555502 -1.30776907
-0.00038323 -0.00042167 0.00041404
-0.01778282 0.00934226 0.01193628
5.34557842 -15.38902557 -12.61160000
-0.00035425 0.00015568 0.00019447
-0.00308474 -0.02141187 0.00544590
2.64673405 -17.01242935 -12.01304241
-0.00032374 0.00022812 0.00043845
0.03887627 0.04164474 -0.01727659
4.82966507 -5.07205878 -4.87846049
-0.00025454 0.00027824 0.00088742
0.00940754 -0.00859193 0.01228972
4.74091022 -6.81714623 -2.42303135
0.00123325 -0.00036314 0.00046575
0.02192238 -0.01038995 0.00407962
16.80945226 2.61894782 24.09952297
0.00006195 0.00004171 -0.00020696
0.00198470 -0.01093332 0.00445091
19.28504366 3.22760456 25.54439907
0.00052980 -0.00022638 0.00063958
0.00371194 -0.00919975 -0.00662525
-9.61571536 1.08418191 1.40770911
0.00035531 -0.00052388 -0.00006342
-0.01146234 0.00726692 0.00783254
-9.77696317 3.95525489 2.42936811
-0.00028554 -0.00098609 0.00066155
-0.00868682 -0.00657157 0.00055803
-5.17180407 13.83667258 -8.84243903
0.00077952 -0.00110640 0.00043484
-0.01190323 0.00365830 -0.00094339
-7.80735638 12.45066885 -8.90099268
0.00099620 -0.00006327 -0.00008145
-0.00735303 -0.00081421 0.00422912
0.63800704 11.84771478 -6.86990750
0.00149692 -0.00033000 0.00073474
-0.00366798 0.00693631 0.01319600
1.99823730 14.59509614 -6.52265595
-0.00058117 -0.00033715 -0.00002124
-0.00153242 0.00146545 0.02598643
-10.42169716 8.43156643 -12.84515232
-0.00073117 -0.00069948 0.00000093
0.01412897 -0.04390366 -0.01382815
-12.07719021 9.94370015 -11.16144609
0.00044175 -0.00038451 0.00028461
0.00763216 0.00513005 -0.00470343
7.43062950 5.07684691 12.96908899
0.00040054 0.00070055 0.00055923
0.02240431 -0.01774685 0.02357302
9.75513571 3.84074728 14.53592157
-0.00005418 -0.00006730 0.00046884
0.00997350 0.00573542 -0.01820402
-14.11350089 10.26541695 -7.47264399
-0.00044122 0.00026638 0.00117761
0.01535719 0.01444969 0.00090420
-16.89772298 10.91419870 -7.98422299
-0.00016449 -0.00020079 0.00008846
0.00819914 -0.01087787 -0.00232841
8.99549755 9.45030976 -2.36173662
0.00025007 -0.00083604 0.00012196
0.01077556 0.02232843 0.01989911
7.88323506 8.27915532 -4.58244747
-0.00018533 0.00004859 -0.00035846
0.01735098 -0.02930978 0.03147923
14.47775615 -18.94813171 -27.56203671
0.00016105 0.00011719 -0.00001577
-0.00695942 -0.02226110 0.01466679
13.46110848 -20.38640549 -25.17753695
-0.00037022 -0.00021891 -0.00012124
-0.00692513 0.01165862 0.02596740
5.41861687 5.32746350 2.17616085
-0.00065813 -0.00086938 0.00020402
-0.01615881 0.02682093 -0.00429881
6.04015080 6.91408688 -0.09121311
-0.00025472 -0.00015686 -0.00036602
-0.02541962 0.01547012 0.02342092
19.59035344 -7.04740778 -6.76611024
0.00029320 0.00153826 -0.00017489
0.00568011 0.00534655 0.00411728
17.49158650 -5.07813936 -6.18826722
-0.00029180 0.00021559 0.00083186
-0.01282392 0.00758948 0.01414868
-2.62853279 -0.81927803 -1.00319961
-0.00001222 0.00015783 -0.00038524
-0.01459404 0.02036392 0.03057147
-2.06437058 -1.20220084 -3.63290781
-0.00036871 -0.00002627 -0.00043744
0.00197926 0.00901466 -0.04253526
3.90582945 -3.44923081 -12.05308212
-0.00023464 0.00078193 -0.00025293
0.00571797 -0.00652847 -0.00543838
1.11733405 -2.72011413 -11.70843160
-0.00039590 -0.00026390 -0.00027102
-0.01117146 -0.00008064 0.00356075
19.56042157 8.23839600 -7.70919924
0.00024421 0.00001451 -0.00076498
0.00090433 -0.00248520 -0.00919287
20.83781502 8.50360875 -5.16270497
0.00070693 -0.00081075 0.00080236
-0.00180691 0.00239058 -0.00428008
-7.04578476 3.97295217 9.36583688
0.00024338 -0.00031587 -0.00055790
-0.01200008 0.04767235 -0.02061773
-7.73436282 6.61611849 10.67138885
0.00082637 0.00018869 -0.00068785
0.00197541 0.00104632 0.00314225
-2.46886004 -17.76910705 11.45437138
0.00060235 -0.00031484 0.00074569
0.00448356 0.01048911 -0.00429425
-2.86681184 -15.17607448 10.17686704
0.00046601 -0.00058346 -0.00022882
-0.00527428 0.00286128 -0.00482214
8.49768432 -0.58962441 -2.81747453
-0.00095909 -0.00048556 -0.00135636
-0.00213862 0.00107378 -0.00460288
7.75549757 1.13510383 -5.21644589
-0.00095821 0.00039915 -0.00062156
0.00664186 0.02239611 -0.00766548
0.40807068 -11.78562845 1.83054906
-0.00001165 -0.00041449 0.00033724
0.00881544 0.00751259 0.00446111
-0.93955156 -10.50950297 -0.39195862
0.00016557 -0.00028293 -0.00025494
0.00134518 0.01028182 -0.00086579
-19.74432826 -1.63167512 6.92030734
-0.00001585 0.00003465 -0.00086208
0.00506633 0.00375478 0.01233040
-21.05941587 0.48633149 5.50932614
-0.00066953 0.00008078 0.00103870
-0.02383557 0.02863764 0.00554858
-4.98942773 8.28351579 -26.10457495
-0.00063643 -0.00028617 -0.00078505
0.04798466 0.00833671 -0.01386419
-5.85828882 7.23991950 -23.29926565
0.00069230 0.00007952 0.00024728
0.02644189 -0.00667650 0.02636093
4.25258397 1.50904865 -2.66329664
0.00037274 0.00113273 0.00006643
0.01797366 -0.01778277 -0.01254983
1.70931623 0.43548380 -1.53977901
0.00070201 -0.00007275 0.00086981
0.00064409 -0.01347749 -0.00733676
14.89943640 7.39485427 5.69745593
-0.00039583 0.00001246 -0.00062452
0.00339102 -0.00401031 0.01248251
15.87159411 9.84564211 4.35219506
-0.00078784 -0.00061591 -0.00089287
-0.01567905 -0.02161364 -0.00500234
1.46434050 -11.77371985 -13.80741163
0.00011332 -0.00001988 -0.00018139
0.00102453 0.00401168 0.00277524
-13.56314530 14.55444422 22.66990636
0.00000178 0.00015822 0.00014826
0.00106568 -0.00376534 0.00234557
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02366538
0.33749876
449.70017167
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0542877907
ExchangeOperator: pair fraction: ispin=0: 0.1269226609
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3775635063 (a.u.)
total exchange computation time: 2.5743479729 s
-154.2056954738
-931.36419259
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0542877907
ExchangeOperator: pair fraction: ispin=0: 0.1269226609
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3766420346 (a.u.)
total exchange computation time: 2.5722179413 s
-154.2140555788
Anderson extrapolation: theta=1.3707144830 (1.3707144830)
-931.36445453
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0542877907
ExchangeOperator: pair fraction: ispin=0: 0.1269226609
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3752397288 (a.u.)
total exchange computation time: 2.5726659298 s
-154.2264583553
Anderson extrapolation: theta=0.0589362989 (0.0589362989)
-931.36461540
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0542877907
ExchangeOperator: pair fraction: ispin=0: 0.1269226609
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3750506890 (a.u.)
total exchange computation time: 2.5766799450 s
-154.2279599738
Anderson extrapolation: theta=2.0919333931 (2.0000000000)
-931.36462247
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0542877907
ExchangeOperator: pair fraction: ispin=0: 0.1269226609
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3746457381 (a.u.)
total exchange computation time: 2.5725841522 s
-154.2310935158
Anderson extrapolation: theta=0.2847911866 (0.2847911866)
-931.36463048
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0542877907
ExchangeOperator: pair fraction: ispin=0: 0.1269226609
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3745298351 (a.u.)
total exchange computation time: 2.5726311207 s
-154.2319187192
Anderson extrapolation: theta=1.5435703308 (1.5435703308)
-931.36463220
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0542877907
ExchangeOperator: pair fraction: ispin=0: 0.1269226609
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3743821616 (a.u.)
total exchange computation time: 2.5737929344 s
-154.2328926614
Anderson extrapolation: theta=0.3574828496 (0.3574828496)
-931.36463384
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0542877907
ExchangeOperator: pair fraction: ispin=0: 0.1269226609
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3743617855 (a.u.)
total exchange computation time: 2.5708611012 s
-154.2329479700
Anderson extrapolation: theta=1.1107044318 (1.1107044318)
-931.36463427
-23.640871 -127.349942 -244.198408
-138.571260 458.667216 -804.212615
-162.212131 331.317274 -1048.411023
1111.417826
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0542877907
ExchangeOperator: pair fraction: ispin=0: 0.1269226609
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3743639985 (a.u.)
total exchange computation time: 2.5712451935 s
678.96726007
-1084.38258587
89.76019602
-388.54020498
-174.79493569
78.64181704
551.60419304
0.00000000
-931.36463445
-9.26242218 -5.42844818 9.59170354
-0.00000735 0.00024635 0.00018837
0.02800932 -0.01756675 0.03513195
-13.87097284 5.09741940 9.06401835
0.00006069 -0.00013790 -0.00017387
0.00763016 -0.01324106 -0.01097461
-15.77221813 1.62980380 2.97400375
-0.00005996 -0.00019516 -0.00010808
-0.02959601 -0.00414762 0.02546421
2.46531173 -19.68894889 13.20986706
-0.00003713 0.00004461 0.00023970
-0.03491531 0.01751017 -0.03403811
9.54626482 20.79634930 0.54797427
0.00045281 0.00022864 -0.00014436
0.00217958 -0.00623935 -0.00454631
-11.08995878 12.71913494 15.13906507
-0.00011023 0.00011737 0.00018518
-0.01569413 0.03800584 0.00122495
-6.02806469 1.15676752 -13.02278756
-0.00005735 0.00002870 0.00020997
0.01350333 0.02372513 -0.03572643
-9.05561327 6.51078166 -6.87990966
0.00031529 0.00032917 0.00001947
0.00999735 0.00908449 -0.00756053
-7.63583334 -3.70007379 18.07149784
0.00025768 0.00014376 -0.00004851
0.00218774 -0.01205229 -0.04290628
-23.24938019 -7.52022197 -23.37720350
-0.00021425 -0.00031513 -0.00020519
-0.03850608 0.01539610 -0.00714608
8.14550358 12.92002650 6.50746416
0.00056305 0.00017814 0.00029441
0.02323061 -0.02999470 0.01646588
23.37206705 29.14933847 -3.32446563
-0.00036104 -0.00037684 0.00030873
-0.00657927 -0.01714885 0.00074280
9.16862814 -0.18077836 -14.63206232
0.00051342 0.00026922 0.00009071
0.02381484 -0.00164146 -0.00237539
-8.92309958 -0.98313696 12.76098016
-0.00039183 -0.00031976 -0.00030923
0.00336734 -0.02113455 -0.03558276
-2.07307632 -25.94808270 10.42641510
-0.00026336 0.00001415 0.00031861
0.02433163 0.00661479 -0.03071859
-15.13970673 -4.25112664 -7.22042643
-0.00016358 0.00024210 0.00008081
-0.01074278 0.01279575 -0.02053341
-19.39142528 -10.97351403 -18.30058582
0.00007650 -0.00015221 0.00002026
-0.01694600 -0.02675927 0.01432826
21.43986126 5.12676808 4.67127414
-0.00045190 0.00035568 -0.00005228
0.01261489 0.04724322 -0.01650067
18.93037913 -11.67234713 -13.45885872
0.00085967 0.00002254 0.00014722
-0.01700511 0.01841386 0.01742383
-2.91245214 -0.19139008 -6.69133325
-0.00038237 -0.00031331 0.00022615
-0.00581797 0.02175341 -0.00697472
-3.96065203 -3.18022203 -17.51482181
0.00030625 -0.00005697 -0.00009661
-0.01635745 0.04011331 0.00257117
14.22636919 16.43896010 -21.23027074
-0.00014695 0.00000283 -0.00004671
-0.01175624 0.00075577 0.01767791
-14.77905991 17.31233303 -13.21949739
0.00041456 0.00059867 -0.00011461
0.00706754 0.02267796 0.03346746
1.65353602 15.04172168 8.21317145
-0.00030102 0.00010302 -0.00040552
-0.05101632 0.03018388 0.00611905
-4.54379559 -9.29948692 3.95844457
0.00020553 0.00018463 -0.00009839
-0.01264838 0.00088005 0.04606415
2.12846457 -5.21456172 2.36456778
-0.00000144 0.00006255 -0.00008683
-0.03709297 -0.02003595 0.04808542
9.72115768 7.05815439 4.54589742
-0.00010647 0.00006953 -0.00005197
-0.00896853 0.02391479 -0.02795930
-9.18525158 -10.05322459 -2.82416257
-0.00011957 -0.00044214 0.00002621
0.01445819 -0.00232319 0.01540970
3.56494529 -15.57626956 -12.98596938
-0.00003340 -0.00012613 -0.00024988
-0.04939726 -0.01776930 0.01216094
3.80042403 -5.71739736 -3.47040037
-0.00010639 0.00013997 0.00026171
-0.02353358 0.00946171 -0.00363042
18.44125880 1.88017528 24.57527617
-0.00013357 0.00022673 -0.00008581
-0.00350998 0.00397200 -0.00123044
-8.79779077 2.71857101 1.51976938
-0.00011146 -0.00022550 0.00005008
0.01235772 -0.00252433 -0.01247962
-6.31784212 12.83157997 -9.89376403
0.00050147 -0.00026707 0.00024928
0.00995779 -0.00047449 -0.01369561
1.64000479 13.18970826 -7.57380706
-0.00004894 0.00022035 -0.00004986
0.00588458 -0.01575710 -0.03913989
-10.83825756 10.10264589 -12.52182864
-0.00035016 0.00006804 -0.00001286
-0.02483382 0.03256153 0.01604366
7.99398428 4.19934966 14.54966626
-0.00030695 -0.00031369 0.00001483
-0.02714998 0.00149990 -0.00177001
-15.60916951 9.58687370 -8.20053332
0.00030249 0.00038808 0.00046759
-0.02155644 0.00356363 -0.00184018
8.87500640 7.78497401 -2.98831627
-0.00030183 0.00003774 -0.00014143
-0.03549271 -0.00383179 -0.04969601
14.15532288 -20.65841190 -26.79047664
0.00004574 -0.00017530 0.00014117
0.01600014 0.02124049 -0.03865768
4.96325718 7.07535907 1.51076450
0.00010784 -0.00023124 0.00032134
0.04528636 -0.04814881 -0.01932010
18.43033986 -5.85441252 -7.52468979
-0.00029485 -0.00005218 -0.00027175
0.00638547 -0.00510303 -0.00262369
-1.85385124 -2.00073922 -2.06480983
-0.00014664 -0.00029230 -0.00002741
0.01684078 -0.02572382 0.01671444
2.77644059 -2.02200619 -12.02309044
0.00006840 -0.00018941 -0.00005181
0.00330614 0.00930727 0.00305973
19.59115044 9.36458183 -6.26553325
0.00004200 -0.00000473 0.00017938
0.01189869 -0.01247057 0.01398042
-7.47357865 5.91491936 9.00796130
-0.00024949 -0.00037545 -0.00031558
0.01110975 -0.04717212 0.00883232
-1.88824986 -16.02534367 11.46043550
0.00017915 -0.00014596 -0.00020420
-0.00103948 -0.01187607 0.01029400
7.53111753 -0.44651615 -4.40633525
0.00023835 -0.00015544 -0.00036404
-0.00651437 -0.00634372 0.00843130
-0.93509494 -12.04520962 0.61404948
-0.00015886 -0.00016467 0.00005540
-0.00988432 -0.01957723 0.00182102
-19.96855426 -0.86727743 5.26140423
0.00010603 0.00038080 0.00015915
0.01328976 -0.01787145 -0.02629892
-6.20854898 7.78378549 -24.94119642
-0.00041402 0.00025622 -0.00052225
-0.06836525 0.00085561 0.00454608
2.76061536 1.87896767 -1.76764091
-0.00054879 0.00003111 -0.00014261
-0.01838694 0.03030249 0.01572688
14.85588372 8.26556734 4.10066670
-0.00013570 0.00006486 0.00020301
0.00514783 0.01969118 -0.01177382
-8.23783006 -6.73433008 10.62355617
-0.00002467 -0.00075181 -0.00057971
-0.02019728 0.02331532 -0.02582525
-10.00724406 -6.34184904 8.23202405
0.00010450 0.00061202 0.00040129
-0.00433823 -0.00836524 -0.00577745
-13.24187660 6.17627519 7.71272739
0.00048496 -0.00015546 -0.00001519
-0.00052649 0.00150341 -0.00311478
-13.89413800 3.44861556 8.17944850
-0.00014478 -0.00006175 -0.00059788
0.00188801 0.00947225 0.02096307
-15.03984074 1.82560587 4.69516287
-0.00003989 -0.00018048 0.00000245
-0.00506973 -0.01012069 -0.02276269
-17.42158399 0.69346731 3.31566238
0.00068757 0.00038134 0.00032953
0.02922870 0.01826733 -0.00001378
3.30439183 -21.12196162 12.59301382
-0.00073320 -0.00143320 -0.00077777
0.01171560 -0.02502665 -0.00945004
3.02803504 -19.33835102 14.82229702
0.00010054 0.00040103 0.00151845
0.01749350 0.00966905 0.03928297
9.34648411 19.06048387 1.12724560
-0.00081894 -0.00080178 -0.00065883
0.00146102 -0.00179303 -0.00909407
8.07966347 21.65101765 1.27753678
0.00089523 -0.00047774 -0.00001258
0.00405148 0.00983316 0.00732707
-10.42930059 12.84126001 16.93629817
-0.00052988 -0.00086855 -0.00006180
-0.00448082 -0.00883991 -0.01831820
-11.92138163 14.41045126 14.88564919
0.00106211 -0.00012259 0.00127782
0.01368160 -0.03072890 0.00140917
-5.75563148 -0.03302022 -14.38571078
-0.00062677 -0.00029800 0.00047121
-0.00014336 0.00156907 0.00755894
-6.29673990 0.36017477 -11.47239729
-0.00000555 -0.00050191 -0.00090752
-0.01210723 -0.02754851 0.02880244
-8.46005950 8.14133516 -6.27282382
0.00037703 0.00052766 -0.00006297
0.00185374 -0.00772777 -0.00763976
-10.11270721 6.10629809 -5.47992560
0.00049397 0.00011762 0.00085010
-0.01575300 -0.00110815 0.01129070
-7.46387706 -1.92356705 18.11833552
-0.00031617 -0.00095665 0.00002863
-0.00041320 0.02011341 -0.00190676
-7.59930954 -4.23194193 19.74448114
0.00071014 0.00011031 -0.00001190
0.00093250 -0.01371524 0.04259487
-24.78921429 -6.49922361 -23.19245094
0.00024947 0.00073068 -0.00002325
0.00206536 -0.01765739 -0.00476742
-22.14425545 -6.12070946 -23.18616883
0.00028024 -0.00008318 -0.00045423
0.02695072 0.00586891 -0.00095271
8.81270512 12.92633489 4.79284403
-0.00000417 0.00043647 -0.00121621
-0.00546063 0.00516880 0.00042047
9.17199859 11.56954893 7.44641673
-0.00054563 0.00076288 0.00019191
-0.01525077 0.02663199 -0.01635454
23.16433025 27.49653426 -2.48628465
0.00136629 -0.00128689 0.00067155
0.00800546 0.00924722 -0.01208981
23.23111764 30.29678986 -1.92537712
-0.00013700 -0.00003972 0.00024245
-0.00309049 0.00856353 0.00942320
10.99154649 -0.67854757 -14.54948485
-0.00045608 -0.00038658 0.00000947
-0.03596174 0.00761480 0.00067736
8.16078765 -1.70046938 -14.29044862
-0.00035745 0.00054035 -0.00087493
0.01078130 -0.00160856 -0.00156188
-9.86591585 -0.85975090 14.24697195
0.00034931 0.00037925 0.00021658
-0.01302968 0.00321272 0.02965611
-9.65292054 -2.44753051 11.84664000
0.00107920 0.00036974 -0.00070073
0.01239933 0.01382054 0.00739180
-2.79027679 -26.35757046 12.03321209
0.00009610 0.00014335 -0.00011792
-0.01756327 -0.00771524 0.01391863
-3.22211166 -25.84592841 9.01156077
0.00006388 0.00017422 -0.00024121
-0.00567572 -0.00001455 0.00830614
-14.58179852 -2.75723326 -6.22366483
-0.00015282 0.00102182 -0.00017669
0.00084722 -0.00636175 0.00491789
-16.31900440 -3.38391769 -8.36510124
0.00029309 -0.00001872 -0.00074710
0.00961726 -0.01433427 0.00490030
-18.83171808 -9.31498807 -18.67599162
-0.00073465 0.00129920 -0.00075111
0.01419212 0.01356218 -0.00680371
-18.20458623 -12.29487151 -18.79736811
-0.00068837 -0.00051923 0.00036070
0.00463125 0.01086261 -0.00589033
22.50319481 6.04794009 3.41007619
0.00060826 -0.00041768 0.00015473
-0.00664693 -0.02628534 0.01118325
20.48542206 6.63576758 5.16717799
-0.00089455 0.00042319 0.00094040
-0.00376338 -0.01646030 0.00801781
17.98729262 -11.00717325 -11.86358362
0.00027898 0.00095090 0.00084998
0.01185196 -0.01096894 -0.04125328
18.19715137 -10.77987744 -14.94113841
0.00039760 0.00032662 0.00042283
0.00592427 -0.00560405 0.02122020
-2.44126171 1.42029926 -7.44433543
0.00046723 -0.00070663 0.00079867
0.01146455 -0.01127852 0.00251901
-4.59166678 0.23868147 -6.11464113
-0.00010029 0.00070630 -0.00010929
-0.00637115 -0.00664085 0.00170847
-2.83963708 -4.45059700 -18.02446505
-0.00008899 0.00018667 -0.00084317
0.01587624 -0.01978164 -0.01186267
-3.66178963 -1.66758795 -18.60501046
0.00019730 -0.00001633 -0.00030933
-0.00303957 -0.01458283 0.01387568
13.62666312 17.23135943 -19.64057633
0.00067971 0.00083820 -0.00041971
0.00981394 -0.00801336 -0.02373750
12.68098781 15.67706198 -21.95613995
0.00026245 -0.00005735 -0.00076743
0.00493834 0.00613063 0.01011449
-13.61451943 17.23154419 -11.76508557
-0.00080988 -0.00015178 -0.00021454
-0.01252407 0.00184776 -0.01446702
-14.64091048 15.65989312 -13.94623942
-0.00011523 -0.00059499 -0.00078238
-0.00086297 -0.01958715 -0.01748903
1.43863492 15.73586036 6.54464034
0.00045694 0.00026424 -0.00001389
0.01780691 -0.00826150 -0.01335454
0.09139943 16.00539098 8.86398622
0.00011155 -0.00024939 -0.00090836
0.03194156 -0.02701609 0.00903361
-5.87528945 -8.52876773 3.03939912
0.00129760 0.00094240 -0.00080886
-0.01127979 0.01361846 -0.01692801
-3.35168858 -9.99899827 2.86129925
0.00067462 -0.00095920 0.00113957
0.02547384 -0.01485198 -0.03313154
1.68063892 -3.58824761 3.02587530
-0.00055700 -0.00110849 -0.00082482
-0.00655392 0.01116005 0.02024586
3.06761238 -4.64423267 1.05875582
-0.00064709 0.00117345 0.00080220
0.05008753 0.01064619 -0.06412340
8.36101631 7.81914140 3.42868877
-0.00090626 0.00056806 -0.00023516
0.02711472 -0.01556999 0.02191803
11.31315225 8.01970770 4.24973250
0.00016276 0.00009661 -0.00098868
-0.01327245 -0.00825716 -0.00002645
-8.05481884 -11.44876602 -2.43677556
0.00028561 0.00140684 0.00036135
0.00719394 -0.00856904 -0.00940927
-10.14090642 -9.89159385 -1.30119264
-0.00045135 -0.00038427 0.00045536
-0.01556153 0.00896691 0.00828597
5.34017010 -15.38734655 -12.60851600
-0.00036341 0.00006871 0.00021730
-0.00139548 -0.02116051 0.00572907
2.64306922 -17.00773147 -12.00699504
-0.00016442 0.00039845 0.00036696
0.03911067 0.04173521 -0.01772036
4.82613524 -5.06814846 -4.86477258
-0.00021282 0.00024626 0.00093095
0.01101626 -0.00706103 0.00901795
4.76008074 -6.82291177 -2.41592003
0.00131137 -0.00039293 0.00047122
0.01631709 -0.00419240 -0.00140296
16.81044230 2.61923846 24.09655497
0.00006803 -0.00000060 -0.00018873
0.00099341 -0.00978001 0.00447166
19.29310433 3.22392693 25.55378978
0.00054153 -0.00026574 0.00060950
0.00203301 -0.01006611 -0.00810009
-9.61073690 1.07654636 1.40699783
0.00030899 -0.00049349 -0.00003140
-0.01121290 0.00760945 0.00784160
-9.78151250 3.94026209 2.43930848
-0.00032180 -0.00101146 0.00066464
-0.00906370 -0.00584401 0.00095177
-5.16047600 13.82018862 -8.83594534
0.00073239 -0.00108937 0.00043227
-0.01116848 0.00468071 -0.00031591
-7.79263863 12.44969487 -8.90208481
0.00095856 -0.00006922 -0.00005937
-0.01107354 -0.00209764 0.00657662
0.66034840 11.84297729 -6.85848205
0.00148042 -0.00030353 0.00078854
-0.00440517 0.00602178 0.01314135
1.98947279 14.59008379 -6.52217827
-0.00058445 -0.00032378 0.00008946
-0.00007235 0.00507857 0.02820431
-10.43223172 8.41972894 -12.84556213
-0.00067628 -0.00086500 -0.00005366
0.01274131 -0.03712003 -0.01289525
-12.07033007 9.93808966 -11.15732106
0.00046957 -0.00036249 0.00026872
0.00598335 0.00565044 -0.00307381
7.43732408 5.08681137 12.97819973
0.00049023 0.00062880 0.00065261
0.02150241 -0.01737856 0.02213734
9.75462860 3.83991356 14.54239632
-0.00001672 -0.00004284 0.00039498
0.00836638 0.00623444 -0.01795270
-14.11964864 10.26985551 -7.45495207
-0.00037394 0.00032820 0.00118308
0.01757709 0.01581143 0.00177253
-16.89993907 10.91085357 -7.98296751
-0.00013195 -0.00024321 0.00007942
0.00772706 -0.00988859 -0.00209369
8.99957886 9.43845341 -2.35929749
0.00029473 -0.00073428 0.00020665
0.01108181 0.02748309 0.02155958
7.88098681 8.27898609 -4.58685975
-0.00011410 -0.00007046 -0.00022857
0.01751440 -0.02896881 0.03210279
14.47995872 -18.94705605 -27.56182375
0.00013179 0.00002317 0.00004581
-0.00736754 -0.02376242 0.01547610
13.45534300 -20.38933190 -25.17855975
-0.00039889 -0.00017108 -0.00001467
-0.00711032 0.01175701 0.02619932
5.40824983 5.31524462 2.17908948
-0.00072313 -0.00075646 0.00018461
-0.01565918 0.02845723 -0.00520339
6.03555114 6.91220810 -0.09598569
-0.00035953 -0.00009432 -0.00026658
-0.02588991 0.01514022 0.02525259
19.59492557 -7.02417010 -6.76860739
0.00032316 0.00155306 -0.00015472
0.00898336 0.00190047 0.00575581
17.48681653 -5.07467293 -6.17535583
-0.00033691 0.00024063 0.00087733
-0.00925738 0.00466549 0.00810985
-2.62916323 -0.81628650 -1.00804134
-0.00007098 0.00023991 -0.00026108
-0.01417015 0.01981083 0.03020322
-2.06984063 -1.20231858 -3.64077283
-0.00035926 0.00000559 -0.00060252
0.00264634 0.00657849 -0.03827412
3.90248513 -3.43770184 -12.05704275
-0.00020230 0.00074351 -0.00027502
0.01011066 -0.01228185 -0.00537173
1.11105316 -2.72407510 -11.71238775
-0.00043554 -0.00026229 -0.00025743
-0.00823105 0.00086636 0.00309062
19.56411238 8.23853754 -7.72095567
0.00024877 0.00001068 -0.00079294
0.00132904 0.00060978 -0.00449114
20.84836362 8.49152082 -5.15080078
0.00068984 -0.00079533 0.00077589
-0.00656028 0.00515332 -0.00867427
-7.04250174 3.96967494 9.35683659
0.00019362 -0.00012143 -0.00064050
-0.01235823 0.04750816 -0.01981390
-7.72190682 6.61898094 10.66116741
0.00083400 0.00019401 -0.00067113
0.00175965 0.00155544 0.00504271
-2.45968735 -17.77350821 11.46542520
0.00062028 -0.00027137 0.00072750
0.00429302 0.01078724 -0.00461232
-2.85998334 -15.18473874 10.17328691
0.00044141 -0.00057003 -0.00025199
-0.00676899 0.00371605 -0.00651645
8.48323238 -0.59687494 -2.83796092
-0.00095676 -0.00048064 -0.00135872
0.00328164 0.00133372 0.00344493
7.74132789 1.14177743 -5.22600424
-0.00093151 0.00048315 -0.00064817
0.00642858 0.01872028 -0.00535944
0.40816601 -11.79161562 1.83574431
0.00002140 -0.00038397 0.00035248
0.00736662 0.00742733 0.00300061
-0.93702679 -10.51343180 -0.39580919
0.00017086 -0.00024188 -0.00025718
0.00124206 0.00981117 -0.00023197
-19.74441080 -1.63104024 6.90775395
0.00000647 0.00004512 -0.00080253
0.00586156 0.00136751 0.01682278
-21.07018915 0.48842067 5.52507673
-0.00076135 0.00019087 0.00105999
-0.02111403 0.02525367 0.00487179
-4.99750374 8.27947874 -26.11677553
-0.00043899 -0.00025190 -0.00084309
0.04866341 0.00843715 -0.01454582
-5.84709402 7.24090777 -23.29474859
0.00079592 0.00005847 0.00033576
0.02428118 -0.00363169 0.01694636
4.25872589 1.52549472 -2.66268473
0.00043812 0.00106136 0.00002044
0.01402808 -0.01715418 -0.00996243
1.71986611 0.43397949 -1.52695663
0.00070050 -0.00013506 0.00084038
-0.00138292 -0.01702271 -0.00706921
14.89360280 7.39491827 5.68847067
-0.00038105 -0.00000804 -0.00056375
0.00384725 -0.00602489 0.01726310
15.85929604 9.83574118 4.33864873
-0.00084486 -0.00069362 -0.00090961
-0.01223260 -0.01642495 -0.00319353
1.46604310 -11.77400731 -13.81012504
0.00011369 -0.00001843 -0.00018039
0.00101569 0.00408135 0.00282666
-13.56311673 14.55681103 22.67213432
0.00000201 0.00015735 0.00014880
0.00086926 -0.00375631 0.00234974
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02390887
0.34072558
453.99975538
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0544331395
ExchangeOperator: pair fraction: ispin=0: 0.1273553272
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3765040992 (a.u.)
total exchange computation time: 2.5392382145 s
-154.1960037017
-931.36760596
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0544331395
ExchangeOperator: pair fraction: ispin=0: 0.1273553272
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3756323287 (a.u.)
total exchange computation time: 2.5394561291 s
-154.2040915757
Anderson extrapolation: theta=1.3658732614 (1.3658732614)
-931.36785813
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0544331395
ExchangeOperator: pair fraction: ispin=0: 0.1273553272
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3743130536 (a.u.)
total exchange computation time: 2.5383388996 s
-154.2160341307
Anderson extrapolation: theta=0.0560432238 (0.0560432238)
-931.36801147
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1277447269
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3742886039 (a.u.)
total exchange computation time: 2.5734188557 s
-154.2175733025
Anderson extrapolation: theta=-0.3191609109 (-0.3191609109)
-931.36816391
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1277447269
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3742387125 (a.u.)
total exchange computation time: 2.5735239983 s
-154.2179146137
Anderson extrapolation: theta=4.4021461407 (2.0000000000)
-931.36816652
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1277447269
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3740592037 (a.u.)
total exchange computation time: 2.5740110874 s
-154.2192077009
Anderson extrapolation: theta=1.1697669767 (1.1697669767)
-931.36817238
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1277447269
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3738243141 (a.u.)
total exchange computation time: 2.5747680664 s
-154.2209057646
Anderson extrapolation: theta=0.3557771487 (0.3557771487)
-931.36817630
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1277447269
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3737425358 (a.u.)
total exchange computation time: 2.5725729465 s
-154.2214771945
Anderson extrapolation: theta=1.0904758597 (1.0904758597)
-931.36817717
-23.616631 -127.349448 -244.238263
-138.551094 458.643653 -804.227392
-162.167724 331.294205 -1048.465655
1111.456005
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1277447269
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3736763914 (a.u.)
total exchange computation time: 2.5726668835 s
678.95484289
-1084.33922055
89.75355954
-388.57168341
-174.79199975
78.61540376
551.60419304
0.00000000
-931.36817767
-9.26242438 -5.42482065 9.59466454
0.00000762 0.00023720 0.00020703
0.03019297 -0.01802766 0.03744748
-13.87003304 5.09529989 9.06136794
0.00006461 -0.00014480 -0.00017967
0.00760258 -0.01361074 -0.01156242
-15.77323168 1.62686037 2.97248081
-0.00007416 -0.00019670 -0.00009487
-0.02561006 -0.00183737 0.02589775
2.46462015 -19.68821219 13.21333129
-0.00005287 0.00005227 0.00022424
-0.02629576 0.01226120 -0.02610078
9.55306541 20.79975490 0.54579127
0.00045441 0.00022319 -0.00014649
0.00404907 -0.01497904 -0.00373321
-11.09167278 12.72104203 15.14184755
-0.00011784 0.00013569 0.00018571
-0.01390025 0.03323166 0.00081720
-6.02887292 1.15728957 -13.01977583
-0.00005010 0.00004138 0.00019027
0.01469851 0.02558907 -0.04089738
-9.05084539 6.51575419 -6.87964673
0.00031968 0.00033372 0.00001661
0.00706528 0.00863731 -0.00357286
-7.63195971 -3.69796389 18.07060471
0.00025860 0.00013487 -0.00007019
0.00139711 -0.02249687 -0.04139447
-23.25274244 -7.52488961 -23.38030892
-0.00023354 -0.00030601 -0.00020869
-0.03651130 0.02007101 -0.00645439
8.15403898 12.92258285 6.51194379
0.00057466 0.00016396 0.00030025
0.02188798 -0.02511598 0.00623937
23.36662606 29.14361965 -3.31983178
-0.00036434 -0.00038651 0.00030979
-0.00626493 -0.02044585 0.00337166
9.17642129 -0.17674647 -14.63071088
0.00052423 0.00026856 0.00008935
0.01821788 -0.00091051 -0.00289767
-8.92896406 -0.98801491 12.75620438
-0.00038931 -0.00032908 -0.00032655
0.00644867 -0.01508868 -0.03175129
-2.07693289 -25.94784499 10.43107568
-0.00025051 0.00001791 0.00030141
0.02566025 0.00803482 -0.03613729
-15.14220188 -4.24744583 -7.21929349
-0.00016894 0.00024921 0.00007044
-0.01007997 0.01486697 -0.01977329
-19.39034309 -10.97590042 -18.30022667
0.00006790 -0.00016299 0.00002740
-0.01651018 -0.01516896 0.01342961
21.43313136 5.13228553 4.67042625
-0.00044578 0.00038034 -0.00006033
0.01119232 0.04865100 -0.01478565
18.94320854 -11.67193807 -13.45658317
0.00085016 0.00003261 0.00015698
-0.01994354 0.02075343 0.02052280
-2.91821010 -0.19600576 -6.68796795
-0.00038533 -0.00030267 0.00022280
-0.00572062 0.01959747 -0.00605316
-3.95612131 -3.18092181 -17.51626102
0.00029775 -0.00003596 -0.00009532
-0.01672062 0.04157525 0.00243426
14.22411959 16.43900547 -21.23090321
-0.00015243 0.00000311 -0.00003817
-0.00955008 0.00033346 0.01551692
-14.77281423 17.32140057 -13.22108752
0.00041736 0.00060792 -0.00009970
0.00382720 0.01329603 0.02454955
1.64882395 15.04338335 8.20711221
-0.00032649 0.00011787 -0.00040208
-0.04803017 0.02758432 0.00727353
-4.54076143 -9.29671400 3.95714634
0.00019925 0.00018498 -0.00007469
-0.01175560 0.00047301 0.04610659
2.12829984 -5.21370074 2.36345076
-0.00002060 0.00004978 -0.00006199
-0.03741898 -0.02962622 0.04851362
9.71952606 7.05928962 4.54501009
-0.00011137 0.00008258 -0.00006712
-0.01009060 0.02682363 -0.03098036
-9.18698937 -10.05986562 -2.82370993
-0.00011406 -0.00044165 0.00003485
0.00698662 0.00422065 0.01819394
3.56425371 -15.57823010 -12.98967072
-0.00005908 -0.00013520 -0.00024368
-0.05045868 -0.01748205 0.01194553
3.79873735 -5.71526124 -3.46648875
-0.00011751 0.00014289 0.00026209
-0.01970250 0.00188769 0.00510229
18.43924176 1.88359152 24.57398433
-0.00013464 0.00022866 -0.00008610
-0.00066921 0.00352643 0.00009041
-8.79941495 2.71517873 1.52047249
-0.00010511 -0.00022703 0.00004357
0.01233866 -0.00343306 -0.01283162
-6.31028172 12.82757205 -9.89007761
0.00050732 -0.00026735 0.00024144
0.01279423 -0.00062016 -0.01680005
1.63929342 13.19295277 -7.57470596
-0.00004610 0.00021170 -0.00007043
0.00515507 -0.01789973 -0.04083566
-10.84360582 10.10379210 -12.52195963
-0.00036194 0.00008257 -0.00000532
-0.02095301 0.02393185 0.01328273
7.98927529 4.19465016 14.54988192
-0.00032009 -0.00031326 0.00001441
-0.02394306 0.00016718 0.00012726
-15.60471528 9.59270861 -8.19352652
0.00029118 0.00038934 0.00046636
-0.02244176 0.00133156 -0.00294590
8.87034208 7.78552528 -2.99062937
-0.00032010 0.00003454 -0.00016726
-0.03558390 -0.00858841 -0.05076284
14.15607063 -20.66095951 -26.78850822
0.00005394 -0.00016410 0.00012134
0.01588930 0.02230655 -0.03846910
4.96504944 7.07170468 1.51551005
0.00013101 -0.00025616 0.00031128
0.04483741 -0.04875945 -0.01980116
18.42594177 -5.85521487 -7.52877622
-0.00029329 -0.00005323 -0.00027189
-0.00031126 0.00100498 0.00208792
-1.85598588 -2.00522300 -2.06515651
-0.00013843 -0.00030443 -0.00001981
0.01508242 -0.02144526 0.01283467
2.77747930 -2.02481139 -12.02385585
0.00006815 -0.00018342 -0.00005000
-0.00427879 0.01398679 0.00398846
19.59182640 9.36446270 -6.26278859
0.00004913 -0.00001261 0.00018639
0.01581149 -0.01813393 0.01327908
-7.47727810 5.90910565 9.00326163
-0.00024374 -0.00039955 -0.00031169
0.01125721 -0.04653861 0.00628931
-1.88556663 -16.02757887 11.45741226
0.00017903 -0.00015221 -0.00019842
0.00057700 -0.01243412 0.01214956
7.53466767 -0.44887215 -4.41176326
0.00023362 -0.00015740 -0.00036259
-0.01188803 -0.00131123 -0.00281292
-0.93751602 -12.04775523 0.61488757
-0.00016353 -0.00017454 0.00005660
-0.00824579 -0.01877293 0.00284157
-19.96691261 -0.86163430 5.26369000
0.00011176 0.00037330 0.00014472
0.00901312 -0.01131175 -0.02981125
-6.21502299 7.78763203 -24.94901257
-0.00044830 0.00025591 -0.00051744
-0.06493649 -0.00205543 0.01415483
2.75231258 1.87955128 -1.76971939
-0.00055662 0.00004739 -0.00013539
-0.01207639 0.03298317 0.01236099
14.85386810 8.26661623 4.10366639
-0.00013418 0.00007394 0.00019538
0.00077750 0.01559722 -0.01787402
-8.23881902 -6.74489278 10.61406918
-0.00010758 -0.00065335 -0.00068429
-0.02038795 0.02488132 -0.02536615
-10.00580955 -6.33292505 8.23786637
0.00008331 0.00057562 0.00037207
-0.00603406 -0.00945422 -0.00852409
-13.23461832 6.17398942 7.71240414
0.00048238 -0.00014926 -0.00002761
-0.00073526 0.00152758 -0.00296393
-13.89625179 3.44797961 8.17112261
-0.00013683 -0.00002209 -0.00051116
0.00200079 0.00993912 0.02148924
-15.04059448 1.82258854 4.69450209
-0.00005991 -0.00022112 -0.00009143
-0.00472849 -0.00977481 -0.02319291
-17.41037479 0.69974711 3.32060494
0.00079794 0.00045090 0.00032973
0.02479863 0.01578317 0.00011249
3.29375282 -21.14422646 12.58105774
-0.00069551 -0.00151659 -0.00080596
0.00673540 -0.01579448 -0.00435165
3.03007919 -19.33203931 14.84627759
0.00016407 0.00043225 0.00165168
0.01360569 0.00561655 0.02592956
9.33424473 19.04840227 1.11708453
-0.00080996 -0.00079709 -0.00070004
0.00293683 0.00408958 -0.01107795
8.09321611 21.64415289 1.27757266
0.00090516 -0.00043269 0.00001978
0.00080541 0.01221744 0.00851137
-10.43738615 12.82796092 16.93480984
-0.00054595 -0.00090439 -0.00013308
-0.00338240 -0.00870386 -0.01657407
-11.90503076 14.40767078 14.90485970
0.00111204 -0.00023793 0.00128035
0.01075934 -0.02573077 -0.00017404
-5.76503735 -0.03744217 -14.37841097
-0.00062697 -0.00029106 0.00049956
0.00004280 0.00182761 0.00631706
-6.29719411 0.35180189 -11.48512743
-0.00005743 -0.00061866 -0.00077721
-0.01328948 -0.02959917 0.03498530
-8.45434719 8.14901332 -6.27400246
0.00038358 0.00049402 -0.00009457
0.00135251 -0.00874330 -0.00783131
-10.10578039 6.10802840 -5.46682815
0.00043629 0.00011593 0.00088822
-0.01248070 0.00028142 0.00736852
-7.46863222 -1.93730045 18.11870656
-0.00031591 -0.00085382 0.00002081
0.00054047 0.03022142 -0.00192280
-7.58862880 -4.23070762 19.74560791
0.00071401 0.00005463 0.00015907
0.00095929 -0.01353722 0.04109687
-24.78540892 -6.48880452 -23.19294578
0.00025882 0.00065651 -0.00004297
0.00251008 -0.01865022 -0.00488345
-22.13922595 -6.12177729 -23.19301141
0.00038571 -0.00006652 -0.00045953
0.02467825 0.00228391 -0.00164288
8.81247531 12.93304027 4.77461382
-0.00003151 0.00045645 -0.00119752
-0.00792510 0.00461257 0.00872518
9.16334676 11.58180816 7.44879418
-0.00060076 0.00086344 0.00012878
-0.01173416 0.02259272 -0.01454458
23.18506987 27.47751430 -2.47658181
0.00139890 -0.00123985 0.00061850
0.00795886 0.01377726 -0.01388093
23.22896800 30.29645652 -1.92145168
-0.00014984 -0.00000759 0.00027945
-0.00319691 0.00716331 0.00869106
10.98360335 -0.68411297 -14.54932204
-0.00059261 -0.00035778 0.00001266
-0.03087173 0.00648465 0.00088216
8.15575622 -1.69241350 -14.30362046
-0.00031233 0.00053435 -0.00088064
0.01130704 -0.00132388 -0.00123386
-9.86107545 -0.85396370 14.25112945
0.00029719 0.00038987 0.00033300
-0.01248275 0.00198689 0.02733233
-9.63635263 -2.44156088 11.83635559
0.00112232 0.00041613 -0.00067354
0.00870778 0.00888891 0.00591809
-2.78937351 -26.35565656 12.03186979
0.00002004 0.00010997 -0.00005396
-0.01966596 -0.00862549 0.01739201
-3.22132735 -25.84331555 9.00819711
0.00004259 0.00017366 -0.00020383
-0.00474533 -0.00025967 0.00999285
-14.58406489 -2.74210089 -6.22616444
-0.00015132 0.00099094 -0.00015964
-0.00010946 -0.00875429 0.00342463
-16.31431335 -3.38463778 -8.37615754
0.00033273 -0.00007781 -0.00072592
0.00978864 -0.01459122 0.00546529
-18.84230292 -9.29508454 -18.68746683
-0.00068228 0.00133247 -0.00077500
0.01144164 0.00272335 -0.00488907
-18.21476989 -12.30232703 -18.79213809
-0.00066477 -0.00047629 0.00033433
0.00692264 0.01015717 -0.00701715
22.51211503 6.04086939 3.41273980
0.00057784 -0.00052276 0.00020213
-0.00824348 -0.02515063 0.01201868
20.47188848 6.64161100 5.18152976
-0.00090373 0.00035062 0.00096815
-0.00072906 -0.01906025 0.00556232
17.99184055 -10.99324584 -11.85209806
0.00033152 0.00090184 0.00067540
0.01386398 -0.01304847 -0.04420498
18.20329688 -10.77514994 -14.93414564
0.00042248 0.00030281 0.00050918
0.00625493 -0.00604699 0.02104915
-2.43390199 1.40935426 -7.43227814
0.00051626 -0.00074784 0.00080623
0.01253601 -0.00889614 0.00117763
-4.59336632 0.24907254 -6.11622805
-0.00012857 0.00067878 -0.00010135
-0.00747115 -0.00683431 0.00217601
-2.84048549 -4.44840312 -18.03747613
-0.00002280 0.00010320 -0.00089220
0.01652828 -0.02107579 -0.01213866
-3.65892332 -1.66827974 -18.60922528
0.00018411 -0.00007602 -0.00025172
-0.00341309 -0.01463838 0.01432604
13.63715949 17.24368685 -19.64759935
0.00071659 0.00080565 -0.00051429
0.00823850 -0.00791878 -0.02256114
12.68507593 15.67638961 -21.96734153
0.00028188 -0.00003142 -0.00072409
0.00457085 0.00656071 0.01110387
-13.62705145 17.22932414 -11.76874703
-0.00085327 -0.00014431 -0.00026445
-0.00871411 0.00180860 -0.00996425
-14.64266540 15.65036800 -13.95851101
-0.00011965 -0.00065604 -0.00084527
-0.00130154 -0.01029719 -0.01329869
1.44603465 15.73957083 6.54402273
0.00052931 0.00023260 -0.00007377
0.01762131 -0.00722527 -0.01595509
0.09405148 16.00082234 8.85063765
0.00023625 -0.00035660 -0.00086845
0.02910039 -0.02546678 0.01050171
-5.85617108 -8.51421441 3.02674749
0.00125133 0.00099793 -0.00087915
-0.01136987 0.01356394 -0.01747947
-3.34078874 -10.01384137 2.87737748
0.00077687 -0.00101897 0.00100512
0.02457778 -0.01440585 -0.03268158
1.67208311 -3.60453302 3.01412343
-0.00059078 -0.00104673 -0.00073266
-0.00998304 0.01907085 0.02486769
3.05944081 -4.62630464 1.06882382
-0.00043501 0.00121996 0.00053007
0.05372902 0.01211725 -0.06908395
8.34825331 7.82718514 3.42583294
-0.00078964 0.00050046 -0.00014101
0.02996845 -0.01751785 0.02417332
11.31518700 8.02090389 4.23490151
0.00010491 0.00006068 -0.00098730
-0.01504807 -0.00933213 0.00069981
-8.05031423 -11.42792594 -2.43164363
0.00032475 0.00135986 0.00032605
0.01196277 -0.01443097 -0.00787306
-10.14815351 -9.89708313 -1.29410839
-0.00050981 -0.00034862 0.00048111
-0.01305460 0.00848519 0.00431866
5.33467625 -15.38696436 -12.60508089
-0.00036592 -0.00001705 0.00024112
0.00016414 -0.02081956 0.00592700
2.64180134 -17.00047580 -12.00203369
-0.00000550 0.00056742 0.00029467
0.03868466 0.04097492 -0.01766630
4.82328054 -5.06467089 -4.85053199
-0.00016442 0.00022081 0.00096078
0.01267703 -0.00539787 0.00558614
4.78025127 -6.82893424 -2.40889470
0.00136642 -0.00039773 0.00045472
0.01063333 0.00184555 -0.00667638
16.81149322 2.61892971 24.09386102
0.00006979 -0.00003801 -0.00017049
-0.00013522 -0.00853226 0.00445645
19.30128961 3.21963239 25.56268406
0.00054655 -0.00030819 0.00057364
0.00042458 -0.01071539 -0.00945448
-9.60644564 1.06937716 1.40676713
0.00026357 -0.00046205 0.00000056
-0.01102191 0.00778299 0.00780214
-9.78661731 3.92491114 2.44930718
-0.00035936 -0.00103393 0.00066921
-0.00931788 -0.00515811 0.00128715
-5.14983240 13.80399152 -8.82947102
0.00068845 -0.00106814 0.00043234
-0.01033745 0.00571186 0.00035258
-7.77859954 12.44859233 -8.90277388
0.00090627 -0.00008022 -0.00002815
-0.01452434 -0.00328601 0.00870777
0.68241979 11.83860886 -6.84625123
0.00146108 -0.00028096 0.00084185
-0.00506373 0.00502497 0.01295075
1.98070384 14.58538269 -6.51997205
-0.00058213 -0.00029691 0.00020820
0.00120960 0.00807420 0.02992005
-10.44198542 8.40561649 -12.84676225
-0.00062776 -0.00099986 -0.00010385
0.01100491 -0.02889739 -0.01167056
-12.06310324 9.93282548 -11.15338442
0.00049033 -0.00033857 0.00025998
0.00418162 0.00605720 -0.00120776
7.44533647 5.09571078 12.98866718
0.00057553 0.00055945 0.00073881
0.02024946 -0.01656673 0.02005916
9.75463423 3.83946193 14.54777083
0.00001347 -0.00001633 0.00032231
0.00640776 0.00674518 -0.01761803
-14.12471917 10.27526309 -7.43715152
-0.00029907 0.00039488 0.00119147
0.01907554 0.01682422 0.00233508
-16.90168160 10.90690241 -7.98184035
-0.00010182 -0.00028112 0.00007142
0.00702454 -0.00866723 -0.00182321
9.00433934 9.42828138 -2.35553705
0.00034044 -0.00061407 0.00029703
0.01129747 0.03136119 0.02268265
7.87981196 8.27704148 -4.58930457
-0.00004319 -0.00018739 -0.00009773
0.01719816 -0.02826974 0.03194616
14.48170975 -18.94743670 -27.56066233
0.00010120 -0.00007552 0.00010995
-0.00760455 -0.02454419 0.01592066
13.44914176 -20.39153777 -25.17797691
-0.00042730 -0.00012330 0.00009055
-0.00679684 0.01163096 0.02530340
5.39692309 5.30476977 2.18169922
-0.00078567 -0.00063812 0.00016198
-0.01495610 0.02946985 -0.00587437
6.02936477 6.91125721 -0.09921064
-0.00046529 -0.00003338 -0.00016107
-0.02587990 0.01469362 0.02639861
19.60004825 -7.00081595 -6.77075179
0.00036644 0.00155426 -0.00012802
0.01220138 -0.00131258 0.00731313
17.48147921 -5.07092058 -6.16194742
-0.00036757 0.00025371 0.00089804
-0.00574935 0.00174105 0.00202890
-2.63066211 -0.81208085 -1.01103204
-0.00012663 0.00031770 -0.00014057
-0.01307054 0.01827042 0.02878886
-2.07514849 -1.20203315 -3.65098353
-0.00034691 0.00002660 -0.00074784
0.00339998 0.00370491 -0.03286047
3.89976046 -3.42692558 -12.06133260
-0.00015224 0.00068194 -0.00029686
0.01439153 -0.01785438 -0.00532219
1.10426782 -2.72798297 -11.71615449
-0.00046290 -0.00025676 -0.00024580
-0.00516305 0.00184126 0.00260186
19.56788463 8.23871644 -7.73298733
0.00025501 0.00001924 -0.00080187
0.00172608 0.00357878 0.00011567
20.85851016 8.47974871 -5.13942821
0.00065483 -0.00076947 0.00073271
-0.01057743 0.00751003 -0.01246193
-7.03997611 3.96930930 9.34662199
0.00014273 0.00007084 -0.00071937
-0.01255185 0.04661121 -0.01879397
-7.70934296 6.62193872 10.65125501
0.00084092 0.00020120 -0.00064718
0.00163040 0.00196590 0.00668083
-2.45025155 -17.77724826 11.47619636
0.00063725 -0.00022741 0.00070803
0.00401008 0.01073516 -0.00491715
-2.85356968 -15.19317526 10.16930741
0.00041112 -0.00055344 -0.00028156
-0.00805420 0.00440455 -0.00796023
8.46898155 -0.60404373 -2.85823619
-0.00093171 -0.00047493 -0.00132688
0.00897856 0.00146206 0.01214100
7.72755220 1.14959832 -5.23589104
-0.00090569 0.00055087 -0.00066477
0.00621110 0.01442812 -0.00276786
0.40871281 -11.79714760 1.84112346
0.00004820 -0.00035392 0.00036148
0.00575233 0.00728284 0.00140350
-0.93442590 -10.51675934 -0.39967397
0.00017569 -0.00020321 -0.00025658
0.00112227 0.00911981 0.00052708
-19.74413411 -1.63032155 6.89623157
0.00003192 0.00004599 -0.00072511
0.00659351 -0.00093910 0.02107154
-21.08225644 0.49205756 5.54112588
-0.00084020 0.00028503 0.00107799
-0.01748289 0.02083979 0.00393739
-5.00259735 8.27595877 -26.12986756
-0.00024182 -0.00021834 -0.00090129
0.04785242 0.00798916 -0.01394639
-5.83441112 7.24167346 -23.28919296
0.00089016 0.00005007 0.00038479
0.02184645 -0.00047807 0.00705477
4.26572755 1.54088948 -2.66268338
0.00048588 0.00099280 -0.00001413
0.00934956 -0.01640935 -0.00695973
1.73033124 0.43143193 -1.51456750
0.00069140 -0.00021092 0.00081213
-0.00307274 -0.02011063 -0.00676284
14.88800499 7.39461302 5.68054341
-0.00036446 -0.00003627 -0.00048448
0.00426999 -0.00779277 0.02154274
15.84624828 9.82483362 4.32490669
-0.00088669 -0.00074832 -0.00091891
-0.00824114 -0.01035333 -0.00135880
1.46775115 -11.77427286 -13.81282328
0.00011405 -0.00001696 -0.00017937
0.00101468 0.00414967 0.00288512
-13.56308513 14.55916476 22.67437045
0.00000218 0.00015648 0.00014935
0.00063579 -0.00375184 0.00238139
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02423143
0.34394623
458.29110859
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1277447269
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3744376933 (a.u.)
total exchange computation time: 2.5723040104 s
-154.1813584545
-931.37068247
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1277447269
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3736184624 (a.u.)
total exchange computation time: 2.5725519657 s
-154.1891300099
Anderson extrapolation: theta=1.3599134079 (1.3599134079)
-931.37092728
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1277447269
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3723816777 (a.u.)
total exchange computation time: 2.5719299316 s
-154.2005588936
Anderson extrapolation: theta=0.0566170319 (0.0566170319)
-931.37107587
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1277447269
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3722192995 (a.u.)
total exchange computation time: 2.5735158920 s
-154.2018985865
Anderson extrapolation: theta=2.0259022978 (2.0000000000)
-931.37108204
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1277447269
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3718768975 (a.u.)
total exchange computation time: 2.5715069771 s
-154.2046554825
Anderson extrapolation: theta=0.2417347933 (0.2417347933)
-931.37108880
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1277447269
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3717979178 (a.u.)
total exchange computation time: 2.5703158379 s
-154.2052367613
Anderson extrapolation: theta=1.7238691982 (1.7238691982)
-931.37109015
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1277447269
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3716936159 (a.u.)
total exchange computation time: 2.5744910240 s
-154.2059452128
Anderson extrapolation: theta=0.2969103786 (0.2969103786)
-931.37109161
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1277447269
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3716933337 (a.u.)
total exchange computation time: 2.5713891983 s
-154.2058829607
Anderson extrapolation: theta=1.2522375909 (1.2522375909)
-931.37109196
-23.587475 -171.721610 -244.277635
-138.526957 458.619727 -804.240518
-162.114431 286.898117 -1048.518154
1099.082316
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1277447269
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3717145988 (a.u.)
total exchange computation time: 2.5708820820 s
678.92776873
-1084.26294427
89.74851883
-388.62614401
-174.78657685
78.56976311
551.60419304
0.00000000
-931.37109217
-9.26219365 -5.42133220 9.59791442
0.00002349 0.00022788 0.00022660
0.03154445 -0.01819576 0.03867263
-13.86903458 5.09307538 9.05862833
0.00006851 -0.00015174 -0.00018569
0.00755699 -0.01336793 -0.01185789
-15.77444279 1.62390277 2.97115766
-0.00008610 -0.00019697 -0.00008167
-0.02085091 0.00080446 0.02542831
2.46372571 -19.68738090 13.21659416
-0.00006417 0.00005719 0.00021295
-0.01765184 0.00689494 -0.01778430
9.55989723 20.80304493 0.54357947
0.00045692 0.00021338 -0.00014825
0.00569068 -0.02315510 -0.00310452
-11.09349402 12.72320550 15.14463634
-0.00012444 0.00015124 0.00018594
-0.01175954 0.02725579 0.00009578
-6.02956775 1.15800902 -13.01707960
-0.00004233 0.00005479 0.00016846
0.01551620 0.02653343 -0.04390908
-9.04602299 6.52079335 -6.87941136
0.00032248 0.00033794 0.00001584
0.00384002 0.00775708 0.00058732
-7.62807530 -3.69602755 18.06939223
0.00025917 0.00012066 -0.00009060
0.00081010 -0.03276903 -0.03797907
-23.25638636 -7.52940240 -23.38346414
-0.00025157 -0.00029451 -0.00021183
-0.03360844 0.02465620 -0.00576473
8.16274324 12.92494544 6.51647155
0.00058529 0.00015257 0.00030084
0.01946472 -0.01920380 -0.00394496
23.36113673 29.13774311 -3.31517192
-0.00036749 -0.00039763 0.00031218
-0.00597173 -0.02279141 0.00592280
9.18435498 -0.17272159 -14.62938178
0.00053186 0.00026836 0.00008772
0.01145177 0.00015018 -0.00343650
-8.93477880 -0.99300927 12.75118365
-0.00038533 -0.00033506 -0.00034143
0.00901836 -0.00817365 -0.02611463
-2.08059150 -25.94754529 10.43545749
-0.00023707 0.00002234 0.00028174
0.02657546 0.00918639 -0.04037538
-15.14477480 -4.24365032 -7.21831310
-0.00017387 0.00025727 0.00006055
-0.00910547 0.01646056 -0.01870995
-19.38938828 -10.97840383 -18.29976391
0.00005950 -0.00016784 0.00003404
-0.01616818 -0.00366064 0.01239044
21.42648781 5.13817831 4.66946430
-0.00044044 0.00040544 -0.00006738
0.00956497 0.04895737 -0.01264561
18.95588408 -11.67136891 -13.45414929
0.00083934 0.00004372 0.00016819
-0.02215708 0.02247058 0.02308184
-2.92401219 -0.20047024 -6.68464935
-0.00038831 -0.00029323 0.00021997
-0.00585773 0.01712259 -0.00492614
-3.95171959 -3.18130084 -17.51768144
0.00028927 -0.00001464 -0.00009413
-0.01623198 0.04134054 0.00221269
14.22179631 16.43905341 -21.23141597
-0.00015667 0.00000311 -0.00003089
-0.00692220 -0.00033698 0.01279049
-14.76653904 17.33057069 -13.22248826
0.00041836 0.00061241 -0.00008953
0.00005856 0.00416576 0.01497171
1.64374134 15.04525783 8.20110908
-0.00035015 0.00013123 -0.00039819
-0.04397811 0.02437218 0.00786249
-4.53781795 -9.29393744 3.95620382
0.00019361 0.00018503 -0.00005147
-0.01021398 -0.00030276 0.04419164
2.12784643 -5.21306831 2.36270801
-0.00003921 0.00003256 -0.00003788
-0.03493862 -0.03733371 0.04524769
9.71781660 7.06063179 4.54388377
-0.00011673 0.00009693 -0.00008361
-0.01076764 0.02896355 -0.03313292
-9.18867325 -10.06647408 -2.82311693
-0.00011243 -0.00043784 0.00004491
-0.00067185 0.01057431 0.02090537
3.56317284 -15.58032551 -12.99327992
-0.00008503 -0.00014390 -0.00023774
-0.05044304 -0.01636227 0.01118644
3.79689868 -5.71311056 -3.46253777
-0.00012665 0.00014199 0.00026686
-0.01582067 -0.00540565 0.01346986
18.43721955 1.88703496 24.57269319
-0.00013425 0.00023028 -0.00008574
0.00217684 0.00280151 0.00129551
-8.80094393 2.71175998 1.52107660
-0.00009884 -0.00022898 0.00003694
0.01203085 -0.00413036 -0.01298049
-6.30262261 12.82355935 -9.88652079
0.00051448 -0.00026775 0.00023211
0.01507759 -0.00090409 -0.01950174
1.63862182 13.19605919 -7.57591990
-0.00004364 0.00020210 -0.00009158
0.00439036 -0.01941585 -0.04143087
-10.84911573 10.10512294 -12.52198814
-0.00037162 0.00009241 0.00000068
-0.01669776 0.01435124 0.01004557
7.98438160 4.18995194 14.55009858
-0.00033140 -0.00031363 0.00001511
-0.02003080 -0.00159676 0.00258019
-15.60043419 9.59855379 -8.18654244
0.00027971 0.00038947 0.00046464
-0.02216215 -0.00081807 -0.00376541
8.86540325 7.78601028 -2.99333409
-0.00033822 0.00002922 -0.00019321
-0.03486040 -0.01210865 -0.05016203
14.15694096 -20.66333503 -26.78683658
0.00006189 -0.00015252 0.00010202
0.01504479 0.02275906 -0.03662844
4.96718760 7.06767413 1.52010284
0.00015373 -0.00028115 0.00030111
0.04348644 -0.04839974 -0.01974406
18.42154128 -5.85600948 -7.53284654
-0.00029507 -0.00005126 -0.00026961
-0.00661555 0.00665429 0.00678039
-1.85800417 -2.00987221 -2.06540417
-0.00013131 -0.00031402 -0.00001420
0.01259544 -0.01584140 0.00899094
2.77848500 -2.02750869 -12.02459050
0.00006407 -0.00017514 -0.00004773
-0.01156511 0.01819643 0.00485830
19.59262434 9.36420368 -6.25994148
0.00005811 -0.00002327 0.00019294
0.01909804 -0.02332590 0.01216514
-7.48089070 5.90293290 8.99861047
-0.00023799 -0.00042303 -0.00030907
0.01108245 -0.04477547 0.00390142
-1.88287895 -16.02990999 11.45448276
0.00017970 -0.00015859 -0.00019179
0.00201526 -0.01237062 0.01364051
7.53812609 -0.45123826 -4.41721297
0.00022610 -0.00015665 -0.00036706
-0.01734250 0.00424188 -0.01458450
-0.94000071 -12.05044567 0.61574758
-0.00016731 -0.00018389 0.00005832
-0.00647171 -0.01760378 0.00385056
-19.96520143 -0.85607844 5.26574579
0.00011512 0.00036932 0.00012869
0.00404469 -0.00416253 -0.03250431
-6.22199797 7.79146272 -24.95671952
-0.00048030 0.00025426 -0.00050808
-0.05951592 -0.00436696 0.02223576
2.74391663 1.88038934 -1.77170252
-0.00056117 0.00006481 -0.00012997
-0.00561834 0.03477343 0.00870341
14.85185847 8.26778545 4.10652819
-0.00013503 0.00008058 0.00018484
-0.00408635 0.01024726 -0.02312963
-8.24105749 -6.75393059 10.60302759
-0.00019040 -0.00054956 -0.00078605
-0.02015042 0.02592597 -0.02444797
-10.00474484 -6.32458047 8.24318628
0.00005566 0.00053545 0.00033251
-0.00749849 -0.01020717 -0.01084257
-13.22740510 6.17179726 7.71189923
0.00047887 -0.00014314 -0.00003929
-0.00098553 0.00147157 -0.00275502
-13.89824295 3.44795279 8.16411372
-0.00012844 0.00001854 -0.00042288
0.00210793 0.00995295 0.02172419
-15.04163801 1.81897215 4.69241991
-0.00007796 -0.00026013 -0.00018586
-0.00410866 -0.00932091 -0.02302853
-17.39764578 0.70699419 3.32555439
0.00088839 0.00050931 0.00033077
0.01947528 0.01281208 0.00039511
3.28352660 -21.16745928 12.56883496
-0.00067769 -0.00156222 -0.00081331
0.00198461 -0.00654367 0.00075371
3.03295717 -19.32538339 14.87184729
0.00021157 0.00044690 0.00173001
0.00964340 0.00155406 0.01241538
9.32218534 19.03657131 1.10624452
-0.00079496 -0.00076922 -0.00074889
0.00440583 0.00955279 -0.01283702
8.10681812 21.63803689 1.27813018
0.00090212 -0.00037816 0.00005697
-0.00229303 0.01447457 0.00969326
-10.44567900 12.81412839 16.93230574
-0.00055725 -0.00093969 -0.00019641
-0.00215282 -0.00857470 -0.01442532
-11.88802049 14.40331335 14.92405955
0.00114928 -0.00033081 0.00127630
0.00747039 -0.01973518 -0.00180688
-5.77444060 -0.04175212 -14.37072401
-0.00062631 -0.00028340 0.00052244
0.00028176 0.00192162 0.00488400
-6.29846278 0.34161498 -11.49571346
-0.00011356 -0.00074194 -0.00062526
-0.01418754 -0.03074885 0.03939080
-8.44855199 8.15615564 -6.27566104
0.00038830 0.00045680 -0.00012669
0.00095682 -0.00947415 -0.00789080
-10.09961846 6.10977596 -5.45327911
0.00039230 0.00012012 0.00090978
-0.00905523 0.00176869 0.00318612
-7.47335425 -1.94918170 18.11895975
-0.00031204 -0.00071121 0.00001304
0.00135394 0.03958883 -0.00188047
-7.57788928 -4.23030295 19.74925335
0.00071789 0.00000096 0.00032041
0.00094161 -0.01273748 0.03787847
-24.78144971 -6.47952843 -23.19373990
0.00026944 0.00057892 -0.00006306
0.00269047 -0.01932624 -0.00495058
-22.13268402 -6.12270514 -23.19995468
0.00048097 -0.00006515 -0.00046764
0.02194789 -0.00161293 -0.00232572
8.81175980 12.94002835 4.75691836
-0.00006813 0.00047414 -0.00114635
-0.01000105 0.00404556 0.01632409
9.15397579 11.59545201 7.45028025
-0.00064045 0.00094585 0.00007426
-0.00769513 0.01774778 -0.01214349
23.20629726 27.45933870 -2.46772969
0.00143080 -0.00117542 0.00055869
0.00765616 0.01776357 -0.01539382
23.22662244 30.29656220 -1.91699360
-0.00016306 0.00001829 0.00031289
-0.00327196 0.00550682 0.00767838
10.97376821 -0.68928095 -14.54910517
-0.00070610 -0.00033426 0.00001676
-0.02468277 0.00502634 0.00112784
8.15141775 -1.68443874 -14.31686792
-0.00026521 0.00052956 -0.00088498
0.01175735 -0.00102298 -0.00089021
-9.85700008 -0.84805473 14.25696204
0.00024873 0.00039517 0.00043754
-0.01124022 0.00060841 0.02384083
-9.61925106 -2.43504647 11.82643387
0.00114994 0.00044117 -0.00065321
0.00481336 0.00336397 0.00403305
-2.78967549 -26.35427129 12.03159337
-0.00006372 0.00007328 0.00002260
-0.02133755 -0.00933441 0.02008407
-3.22083386 -25.84071861 9.00544587
0.00002493 0.00017213 -0.00015996
-0.00389952 -0.00048890 0.01147980
-14.58633797 -2.72750504 -6.22845417
-0.00015363 0.00095058 -0.00014855
-0.00102275 -0.01100023 0.00200559
-16.30902239 -3.38625210 -8.38687889
0.00037248 -0.00013744 -0.00070301
0.00966563 -0.01459702 0.00575166
-18.85218654 -9.27501411 -18.69924168
-0.00064072 0.00132218 -0.00079098
0.00890320 -0.00775619 -0.00293265
-18.22452929 -12.30916006 -18.78733813
-0.00063192 -0.00043652 0.00030339
0.00915685 0.00930630 -0.00812998
22.52053005 6.03225730 3.41613999
0.00054163 -0.00062243 0.00025208
-0.00948147 -0.02364001 0.01243578
20.45831021 6.64628628 5.19622242
-0.00090098 0.00026840 0.00098601
0.00207534 -0.02118630 0.00318188
17.99723816 -10.98011812 -11.84332165
0.00039137 0.00084490 0.00049065
0.01543626 -0.01482351 -0.04623137
18.20982572 -10.77079303 -14.92586286
0.00044833 0.00027767 0.00059385
0.00639746 -0.00626294 0.02039585
-2.42577399 1.39786405 -7.42014868
0.00056974 -0.00077895 0.00080822
0.01364478 -0.00633429 -0.00020024
-4.59552374 0.25904477 -6.11768162
-0.00016085 0.00065053 -0.00009174
-0.00833426 -0.00699337 0.00252929
-2.84032095 -4.44750090 -18.05123114
0.00004429 0.00001649 -0.00094154
0.01630898 -0.02137279 -0.01201218
-3.65626619 -1.66986867 -18.61256212
0.00016964 -0.00013505 -0.00019296
-0.00367389 -0.01425450 0.01443808
13.64816077 17.25552895 -19.65600505
0.00074671 0.00077423 -0.00060283
0.00650696 -0.00746271 -0.02077902
12.68944419 15.67611932 -21.97786259
0.00029942 -0.00000402 -0.00067704
0.00401300 0.00685486 0.01192583
-13.64011751 17.22721494 -11.77301916
-0.00088039 -0.00013725 -0.00029481
-0.00456285 0.00164637 -0.00489676
-14.64450009 15.64021180 -13.97159762
-0.00012557 -0.00067977 -0.00089121
-0.00159625 -0.00131624 -0.00918564
1.45451432 15.74283850 6.54242730
0.00060084 0.00020513 -0.00014356
0.01739317 -0.00622568 -0.01820794
0.09848697 15.99469294 8.83793270
0.00034775 -0.00045641 -0.00082225
0.02547836 -0.02339156 0.01211452
-5.83774954 -8.49882981 3.01302462
0.00120627 0.00105227 -0.00095058
-0.01068772 0.01303486 -0.01748470
-3.32838261 -10.02956734 2.89145278
0.00087269 -0.00107526 0.00087487
0.02232733 -0.01314691 -0.03107713
1.66291547 -3.61964964 3.00389561
-0.00063834 -0.00095347 -0.00062239
-0.01329792 0.02658287 0.02910948
3.05456208 -4.60763399 1.07465792
-0.00021349 0.00126974 0.00024532
0.05470579 0.01225147 -0.07030095
8.33732697 7.83415527 3.42445859
-0.00066293 0.00042580 -0.00003896
0.03205964 -0.01902836 0.02577939
11.31629952 8.02152814 4.22011341
0.00004062 0.00002082 -0.00098304
-0.01642249 -0.01017956 0.00138618
-8.04507647 -11.40797028 -2.42699420
0.00038328 0.00128948 0.00029727
0.01669165 -0.02002073 -0.00621231
-10.15620067 -9.90205239 -1.28675947
-0.00055767 -0.00031512 0.00049041
-0.01037291 0.00791177 0.00023736
5.32919246 -15.38785814 -12.60128254
-0.00036238 -0.00010125 0.00026551
0.00156754 -0.02039785 0.00601410
2.64290428 -16.99070894 -11.99815504
0.00015033 0.00073157 0.00022363
0.03759230 0.03938097 -0.01710599
4.82120277 -5.06152413 -4.83594904
-0.00010928 0.00020231 0.00097649
0.01431338 -0.00365924 0.00209960
4.80107348 -6.83484360 -2.40227853
0.00139854 -0.00037868 0.00041756
0.00508555 0.00747687 -0.01151080
16.81253586 2.61809805 24.09144019
0.00006666 -0.00007015 -0.00015239
-0.00139708 -0.00719742 0.00440687
19.30950090 3.21468114 25.57099891
0.00054518 -0.00035283 0.00053252
-0.00109845 -0.01113407 -0.01067097
-9.60282987 1.06268495 1.40701460
0.00021915 -0.00042993 0.00003228
-0.01071870 0.00793805 0.00772667
-9.79229318 3.90924406 2.45938476
-0.00039761 -0.00105381 0.00067491
-0.00940819 -0.00456991 0.00150170
-5.13982235 13.78814449 -8.82297509
0.00064805 -0.00104274 0.00043519
-0.00944057 0.00672127 0.00104273
-7.76545059 12.44728840 -8.90292928
0.00084075 -0.00009576 0.00001114
-0.01754562 -0.00432290 0.01052318
0.70418083 11.83454840 -6.83322669
0.00143977 -0.00026153 0.00089380
-0.00536755 0.00448623 0.01248386
1.97200902 14.58117643 -6.51593215
-0.00057493 -0.00025929 0.00033261
0.00231357 0.01034370 0.03097747
-10.45106467 8.38973304 -12.84867761
-0.00058671 -0.00109936 -0.00014857
0.00909118 -0.01980752 -0.01022281
-12.05562013 9.92793251 -11.14952179
0.00050355 -0.00031321 0.00025914
0.00229063 0.00635894 0.00079834
7.45458987 5.10359487 13.00036398
0.00065504 0.00049432 0.00081530
0.01867313 -0.01531492 0.01738311
9.75503257 3.83942369 14.55206559
0.00003515 0.00001223 0.00025119
0.00420684 0.00723703 -0.01719648
-14.12862062 10.28170176 -7.41920787
-0.00021966 0.00046497 0.00120148
0.01979449 0.01748610 0.00256084
-16.90299362 10.90242006 -7.98082492
-0.00007505 -0.00031359 0.00006458
0.00607761 -0.00722695 -0.00152729
9.00979219 9.42003137 -2.35038649
0.00038678 -0.00048110 0.00039068
0.01138481 0.03372900 0.02315861
7.87969111 8.27336432 -4.58979154
0.00002548 -0.00030074 0.00003090
0.01641573 -0.02721663 0.03101836
14.48299473 -18.94932156 -27.55852518
0.00007000 -0.00017596 0.00017517
-0.00766991 -0.02462315 0.01600396
13.44252397 -20.39303083 -25.17584331
-0.00045344 -0.00007647 0.00018996
-0.00599769 0.01129209 0.02335968
5.38467975 5.29610101 2.18394895
-0.00084498 -0.00051693 0.00013708
-0.01407471 0.02985248 -0.00631627
6.02159233 6.91120683 -0.10081772
-0.00057009 0.00002553 -0.00005226
-0.02541910 0.01413939 0.02686516
19.60591871 -6.97754224 -6.77244800
0.00042235 0.00154313 -0.00009533
0.01516749 -0.00413891 0.00868861
17.47578954 -5.06706152 -6.14841467
-0.00038432 0.00025512 0.00089430
-0.00245053 -0.00105336 -0.00385996
-2.63296204 -0.80675547 -1.01225837
-0.00017660 0.00038742 -0.00002771
-0.01138986 0.01585697 0.02645438
-2.08024797 -1.20152065 -3.66320812
-0.00033141 0.00003534 -0.00086941
0.00419006 0.00057655 -0.02664532
3.89791779 -3.41724355 -12.06594862
-0.00008538 0.00059853 -0.00031854
0.01833977 -0.02297813 -0.00528709
1.09716605 -2.73177800 -11.71976177
-0.00047771 -0.00024729 -0.00023616
-0.00208408 0.00279508 0.00211660
19.57176268 8.23911468 -7.74501191
0.00026276 0.00003956 -0.00079234
0.00206732 0.00636833 0.00455015
20.86800846 8.46843687 -5.12881938
0.00060433 -0.00073448 0.00067485
-0.01414120 0.00961610 -0.01586483
-7.03821974 3.97180029 9.33525557
0.00009141 0.00025793 -0.00079366
-0.01257168 0.04497047 -0.01757140
-7.69667919 6.62501698 10.64175206
0.00084750 0.00020980 -0.00061719
0.00158882 0.00224493 0.00799790
-2.44057000 -17.78033039 11.48666616
0.00065287 -0.00018434 0.00068736
0.00364052 0.01034521 -0.00520191
-2.84764964 -15.20134184 10.16484005
0.00037611 -0.00053445 -0.00031638
-0.00908653 0.00488870 -0.00908438
8.45528099 -0.61112291 -2.87776738
-0.00088326 -0.00046895 -0.00125883
0.01474105 0.00146434 0.02116952
7.71415716 1.15830346 -5.24594748
-0.00088068 0.00060030 -0.00067048
0.00603315 0.00977077 -0.00002510
0.40961215 -11.80223324 1.84658862
0.00006820 -0.00032456 0.00036380
0.00403582 0.00708763 -0.00026488
-0.93175624 -10.51952797 -0.40350645
0.00017997 -0.00016774 -0.00025264
0.00097325 0.00823977 0.00139718
-19.74345334 -1.62966041 6.88600058
0.00006015 0.00003785 -0.00063125
0.00722690 -0.00304829 0.02487369
-21.09539518 0.49697164 5.55741634
-0.00090285 0.00035972 0.00109173
-0.01318647 0.01572262 0.00278800
-5.00475826 8.27292842 -26.14381432
-0.00005080 -0.00018757 -0.00095461
0.04564980 0.00707472 -0.01215377
-5.82038933 7.24240985 -23.28320497
0.00097402 0.00005439 0.00039389
0.01920368 0.00259439 -0.00259949
4.27330220 1.55527858 -2.66310856
0.00051365 0.00092738 -0.00003598
0.00424445 -0.01561109 -0.00373864
1.74060805 0.42765187 -1.50259284
0.00067624 -0.00029812 0.00078510
-0.00434716 -0.02257446 -0.00646684
14.88266886 7.39383019 5.67393642
-0.00034623 -0.00007100 -0.00038909
0.00465672 -0.00920587 0.02514983
15.83269546 9.81329155 4.31108136
-0.00091120 -0.00077659 -0.00092076
-0.00375847 -0.00348497 0.00045581
1.46946464 -11.77451613 -13.81550603
0.00011442 -0.00001546 -0.00017832
0.00102190 0.00421691 0.00293748
-13.56305131 14.56150543 22.67661488
0.00000230 0.00015561 0.00014991
0.00038903 -0.00373040 0.00244768
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02419267
0.34689950
462.22619240
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1280908599
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3717179632 (a.u.)
total exchange computation time: 2.4924011230 s
-154.1617541728
-931.37332481
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1280908599
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3709154736 (a.u.)
total exchange computation time: 2.4938189983 s
-154.1693752633
Anderson extrapolation: theta=1.3584267994 (1.3584267994)
-931.37356983
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0542877907
ExchangeOperator: pair fraction: ispin=0: 0.1271822607
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3694659651 (a.u.)
total exchange computation time: 2.6001319885 s
-154.1804627753
Anderson extrapolation: theta=0.0075557161 (0.0075557161)
-931.37349907
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0542877907
ExchangeOperator: pair fraction: ispin=0: 0.1271822607
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3693425670 (a.u.)
total exchange computation time: 2.6022820473 s
-154.1814465666
Anderson extrapolation: theta=2.3514327559 (2.0000000000)
-931.37350581
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0542877907
ExchangeOperator: pair fraction: ispin=0: 0.1271822607
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3690405790 (a.u.)
total exchange computation time: 2.6016860008 s
-154.1838378282
Anderson extrapolation: theta=0.3348849019 (0.3348849019)
-931.37351464
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0542877907
ExchangeOperator: pair fraction: ispin=0: 0.1271822607
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3689212528 (a.u.)
total exchange computation time: 2.6009008884 s
-154.1847569956
Anderson extrapolation: theta=1.0038849276 (1.0038849276)
-931.37351652
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0542877907
ExchangeOperator: pair fraction: ispin=0: 0.1271822607
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3688179374 (a.u.)
total exchange computation time: 2.6042950153 s
-154.1855124562
Anderson extrapolation: theta=0.5947842336 (0.5947842336)
-931.37351795
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0542877907
ExchangeOperator: pair fraction: ispin=0: 0.1271822607
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3687838292 (a.u.)
total exchange computation time: 2.6019778252 s
-154.1857128702
Anderson extrapolation: theta=0.8542530611 (0.8542530611)
-931.37351862
-23.553914 -171.711154 -244.315546
-138.498951 458.595669 -804.251797
-162.052865 286.884516 -1048.567342
1099.116612
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0542877907
ExchangeOperator: pair fraction: ispin=0: 0.1271822607
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3687809658 (a.u.)
total exchange computation time: 2.5064139366 s
678.88517220
-1084.15586952
89.74560800
-388.70089439
-174.77875431
78.50765658
551.60419304
0.00000000
-931.37351899
-9.26171957 -5.41798412 9.60146266
0.00003991 0.00021850 0.00024660
0.03228793 -0.01829824 0.03907939
-13.86797782 5.09074774 9.05579724
0.00007240 -0.00015843 -0.00019182
0.00758826 -0.01267292 -0.01198272
-15.77581477 1.62095138 2.97003067
-0.00009548 -0.00019579 -0.00006888
-0.01562924 0.00376645 0.02433123
2.46269510 -19.68649642 13.21971983
-0.00007120 0.00005943 0.00020583
-0.00970621 0.00179635 -0.00990247
9.56677295 20.80615634 0.54134372
0.00046021 0.00019955 -0.00014975
0.00710053 -0.03063098 -0.00272367
-11.09540598 12.72557924 15.14742587
-0.00012990 0.00016352 0.00018573
-0.00948842 0.02050071 -0.00094326
-6.03014287 1.15893317 -13.01472212
-0.00003422 0.00006847 0.00014561
0.01602500 0.02666712 -0.04492315
-9.04117098 6.52589236 -6.87917146
0.00032360 0.00034163 0.00001719
0.00052966 0.00659657 0.00466159
-7.62418465 -3.69434401 18.06788676
0.00025950 0.00010135 -0.00010895
0.00048730 -0.04232841 -0.03336854
-23.26028956 -7.53372498 -23.38666383
-0.00026800 -0.00028068 -0.00021465
-0.03027927 0.02912701 -0.00518715
8.17159766 12.92715988 6.52096887
0.00059447 0.00014440 0.00029626
0.01623939 -0.01257033 -0.01385660
23.35560133 29.13169073 -3.31046637
-0.00037046 -0.00040978 0.00031588
-0.00555629 -0.02444752 0.00845796
9.19237701 -0.16869556 -14.62807920
0.00053579 0.00026880 0.00008580
0.00385459 0.00154605 -0.00405010
-8.94052396 -0.99806668 12.74596146
-0.00038014 -0.00033735 -0.00035311
0.01115227 -0.00073128 -0.01929079
-2.08404509 -25.94717472 10.43952780
-0.00022323 0.00002730 0.00026016
0.02726664 0.01009099 -0.04353537
-15.14741796 -4.23972783 -7.21747704
-0.00017826 0.00026605 0.00005122
-0.00796821 0.01768129 -0.01754564
-19.38855819 -10.98093549 -18.29920557
0.00005120 -0.00016700 0.00004015
-0.01608890 0.00692101 0.01139605
21.41991805 5.14444878 4.66840479
-0.00043596 0.00043054 -0.00007328
0.00788025 0.04864549 -0.01027737
18.96838869 -11.67062639 -13.45153734
0.00082751 0.00005562 0.00018065
-0.02384673 0.02378292 0.02536601
-2.92985946 -0.20480263 -6.68136876
-0.00039143 -0.00028507 0.00021775
-0.00627609 0.01461744 -0.00370865
-3.94744309 -3.18136095 -17.51908479
0.00028122 0.00000624 -0.00009307
-0.01507434 0.03984844 0.00189737
14.21941963 16.43909876 -21.23183006
-0.00015948 0.00000271 -0.00002510
-0.00402248 -0.00122937 0.00972808
-14.76026339 17.33977295 -13.22377349
0.00041733 0.00061240 -0.00008432
-0.00406430 -0.00420739 0.00528182
1.63831946 15.04732032 8.19516661
-0.00037157 0.00014286 -0.00039415
-0.03931647 0.02083358 0.00782956
-4.53495327 -9.29116321 3.95560221
0.00018886 0.00018460 -0.00002956
-0.00824998 -0.00136394 0.04100795
2.12712348 -5.21272390 2.36231432
-0.00005597 0.00001194 -0.00001620
-0.03023239 -0.04285255 0.03906804
9.71602407 7.06219740 4.54250183
-0.00012237 0.00011223 -0.00010106
-0.01113778 0.03056204 -0.03474539
-9.19036232 -10.07300097 -2.82236266
-0.00011468 -0.00043090 0.00005635
-0.00808156 0.01644498 0.02357990
3.56170283 -15.58254715 -12.99680281
-0.00011080 -0.00015185 -0.00023227
-0.04976688 -0.01455928 0.01005616
3.79493795 -5.71100159 -3.45848286
-0.00013385 0.00013748 0.00027578
-0.01220339 -0.01214177 0.02121300
18.43521414 1.89050001 24.57141204
-0.00013241 0.00023147 -0.00008480
0.00499132 0.00181718 0.00235874
-8.80238010 2.70830936 1.52158058
-0.00009276 -0.00023124 0.00003024
0.01162549 -0.00467932 -0.01304779
-6.29484718 12.81953967 -9.88311443
0.00052268 -0.00026833 0.00022147
0.01678612 -0.00136782 -0.02186217
1.63798409 13.19901582 -7.57745346
-0.00004158 0.00019187 -0.00011284
0.00364909 -0.02039093 -0.04124834
-10.85475445 10.10656449 -12.52193916
-0.00037912 0.00009730 0.00000498
-0.01245221 0.00464923 0.00667741
7.97933337 4.18524140 14.55033513
-0.00034061 -0.00031500 0.00001718
-0.01579213 -0.00373204 0.00549874
-15.59632407 9.60439266 -8.17958741
0.00026862 0.00038855 0.00046257
-0.02096132 -0.00276793 -0.00425630
8.86019548 7.78640188 -2.99642580
-0.00035583 0.00002242 -0.00021853
-0.03362232 -0.01432551 -0.04828015
14.15792735 -20.66553498 -26.78544752
0.00006927 -0.00014080 0.00008395
0.01365829 0.02280392 -0.03367043
4.96966125 7.06327020 1.52454331
0.00017567 -0.00030582 0.00029109
0.04185436 -0.04751971 -0.01921262
18.41708975 -5.85675274 -7.53686456
-0.00029991 -0.00004656 -0.00026494
-0.01220822 0.01161592 0.01139780
-1.85992529 -2.01464364 -2.06558247
-0.00012557 -0.00032054 -0.00001047
0.00974174 -0.00951625 0.00550105
2.77940147 -2.03006561 -12.02528766
0.00005642 -0.00016486 -0.00004501
-0.01820680 0.02179476 0.00569952
19.59356962 9.36376470 -6.25700052
0.00006863 -0.00003648 0.00019889
0.02180680 -0.02804007 0.01099076
-7.48441781 5.89641472 8.99398942
-0.00023240 -0.00044540 -0.00030761
0.01066307 -0.04222765 0.00177789
-1.88017572 -16.03233654 11.45165848
0.00018105 -0.00016480 -0.00018448
0.00325499 -0.01178834 0.01478597
7.54145072 -0.45357165 -4.42277519
0.00021580 -0.00015299 -0.00037757
-0.02272586 0.00997891 -0.02626504
-0.94253532 -12.05327192 0.61663729
-0.00017018 -0.00019260 0.00006055
-0.00467023 -0.01628028 0.00479956
-19.96345904 -0.85055469 5.26755081
0.00011586 0.00036903 0.00011146
-0.00114943 0.00302404 -0.03450438
-6.22943209 7.79525972 -24.96425492
-0.00050925 0.00025157 -0.00049499
-0.05304914 -0.00606918 0.02867982
2.73547733 1.88149568 -1.77361849
-0.00056251 0.00008300 -0.00012642
0.00043770 0.03593572 0.00510474
14.84981732 8.26903373 4.10921155
-0.00013847 0.00008422 0.00017180
-0.00931332 0.00387787 -0.02758259
-8.24453089 -6.76137950 10.59048768
-0.00027134 -0.00044263 -0.00088313
-0.01947401 0.02641438 -0.02307440
-10.00413969 -6.31686145 8.24784170
0.00002263 0.00049303 0.00028458
-0.00867117 -0.01055688 -0.01261833
-13.22025228 6.16969529 7.71122548
0.00047424 -0.00013740 -0.00005000
-0.00127765 0.00133567 -0.00248844
-13.90010493 3.44853595 8.15843622
-0.00011963 0.00005827 -0.00033427
0.00220422 0.00949441 0.02164931
-15.04293335 1.81478452 4.68892640
-0.00009292 -0.00029711 -0.00027842
-0.00321488 -0.00877898 -0.02228094
-17.38372321 0.71502648 3.33052805
0.00095535 0.00055462 0.00033333
0.01330601 0.00936465 0.00085610
3.27342200 -21.19109314 12.55665838
-0.00067841 -0.00157085 -0.00080022
-0.00233470 0.00232293 0.00565620
3.03642617 -19.31863223 14.89817788
0.00024315 0.00044529 0.00175416
0.00581858 -0.00234292 -0.00059173
9.31039596 19.02532580 1.09461779
-0.00077400 -0.00072016 -0.00080435
0.00585370 0.01445843 -0.01430988
8.12027960 21.63280798 1.27928175
0.00088685 -0.00031479 0.00009889
-0.00518129 0.01654523 0.01082637
-10.45410379 12.79977036 16.92891758
-0.00056330 -0.00097450 -0.00025016
-0.00080459 -0.00846550 -0.01188840
-11.87055238 14.39774643 14.94314867
0.00117242 -0.00039723 0.00126555
0.00385959 -0.01277553 -0.00345586
-5.78382658 -0.04594429 -14.36273773
-0.00062458 -0.00027568 0.00053911
0.00056353 0.00185795 0.00327594
-6.30060095 0.32954359 -11.50388538
-0.00017267 -0.00086767 -0.00045959
-0.01474521 -0.03079345 0.04170774
-8.44269814 8.16271733 -6.27780322
0.00039162 0.00041721 -0.00015880
0.00066906 -0.00990541 -0.00782480
-10.09401150 6.11163192 -5.43953480
0.00036232 0.00013045 0.00091408
-0.00561927 0.00329011 -0.00108214
-7.47799330 -1.95863669 18.11909769
-0.00030523 -0.00053311 0.00000553
0.00197646 0.04759250 -0.00179336
-7.56709205 -4.23067892 19.75522022
0.00072158 -0.00004833 0.00046557
0.00086531 -0.01138672 0.03317778
-24.77732562 -6.47143678 -23.19483743
0.00028023 0.00049925 -0.00008332
0.00258928 -0.01967270 -0.00496886
-22.12479699 -6.12373185 -23.20704047
0.00056439 -0.00008002 -0.00047848
0.01888717 -0.00566551 -0.00298055
8.81043136 12.94726435 4.74022333
-0.00011236 0.00048947 -0.00106586
-0.01165129 0.00345969 0.02307714
9.14413322 11.61018355 7.45102210
-0.00066261 0.00100681 0.00003080
-0.00315101 0.01209367 -0.00913466
23.22799386 27.44225175 -2.45982099
0.00146110 -0.00109591 0.00049331
0.00717388 0.02115577 -0.01661180
23.22407635 30.29700537 -1.91206495
-0.00017654 0.00003698 0.00034167
-0.00332922 0.00364009 0.00641011
10.96242035 -0.69414088 -14.54881917
-0.00079217 -0.00031741 0.00002194
-0.01744798 0.00322295 0.00140880
8.14779984 -1.67652668 -14.33016994
-0.00021641 0.00052602 -0.00088789
0.01213073 -0.00070768 -0.00053384
-9.85361357 -0.84210847 14.26425575
0.00020649 0.00039455 0.00052579
-0.00943538 -0.00091612 0.01935486
-9.60185449 -2.42832591 11.81675933
0.00116144 0.00044266 -0.00064132
0.00081641 -0.00263475 0.00178476
-2.79128517 -26.35345808 12.03254783
-0.00015328 0.00003419 0.00010820
-0.02250181 -0.00980210 0.02181627
-3.22057935 -25.83815163 9.00339819
0.00001047 0.00016971 -0.00011054
-0.00318221 -0.00069640 0.01271467
-14.58867373 -2.71358334 -6.23062099
-0.00015954 0.00090147 -0.00014304
-0.00186917 -0.01304404 0.00069233
-16.30313906 -3.38876102 -8.39724775
0.00041111 -0.00019659 -0.00067953
0.00924796 -0.01435474 0.00574237
-18.86152452 -9.25541902 -18.71119625
-0.00060869 0.00127062 -0.00079922
0.00677455 -0.01748622 -0.00109851
-18.23372750 -12.31542274 -18.78303643
-0.00058999 -0.00040089 0.00026781
0.01137017 0.00813589 -0.00928744
22.52836398 6.02219641 3.42030232
0.00050117 -0.00071517 0.00030288
-0.01032336 -0.02175541 0.01242747
20.44485914 6.64966315 5.21111008
-0.00088730 0.00017855 0.00099438
0.00461881 -0.02279779 0.00091570
18.00358180 -10.96789887 -11.83737859
0.00045687 0.00078131 0.00029936
0.01662231 -0.01630547 -0.04740639
18.21674664 -10.76681996 -14.91633009
0.00047438 0.00025212 0.00067489
0.00635573 -0.00624258 0.01927424
-2.41680975 1.38598564 -7.40803148
0.00062777 -0.00079943 0.00080461
0.01476236 -0.00369050 -0.00157001
-4.59819194 0.26858840 -6.11898018
-0.00019610 0.00062168 -0.00008094
-0.00891947 -0.00712951 0.00275786
-2.83915690 -4.44790853 -18.06572233
0.00010868 -0.00006938 -0.00098948
0.01521377 -0.02065916 -0.01145316
-3.65383421 -1.67233119 -18.61501410
0.00015432 -0.00019160 -0.00013444
-0.00382523 -0.01342760 0.01420664
13.65956083 17.26691370 -19.66568421
0.00076947 0.00074542 -0.00068289
0.00463541 -0.00663818 -0.01841151
12.69405838 15.67626914 -21.98765276
0.00031427 0.00002431 -0.00062699
0.00326092 0.00701037 0.01257532
-13.65346322 17.22520664 -11.77759139
-0.00089008 -0.00013112 -0.00030355
-0.00017947 0.00135418 0.00062160
-14.64643260 15.62997494 -13.98524718
-0.00013237 -0.00066805 -0.00092076
-0.00173181 0.00705154 -0.00528081
1.46405994 15.74572462 6.53971598
0.00067139 0.00018153 -0.00022154
0.01713999 -0.00532568 -0.01996695
0.10448394 15.98712997 8.82597020
0.00044276 -0.00054662 -0.00076912
0.02102933 -0.02076313 0.01389208
-5.81998300 -8.48264634 2.99823017
0.00116546 0.00110348 -0.00102088
-0.00928783 0.01203331 -0.01692929
-3.31460813 -10.04609904 2.90362348
0.00095687 -0.00112484 0.00075313
0.01887887 -0.01112678 -0.02851509
1.65293285 -3.63313710 2.99545180
-0.00069883 -0.00083126 -0.00049600
-0.01631020 0.03324191 0.03275815
3.05303607 -4.58821249 1.07618355
0.00000644 0.00131698 -0.00003657
0.05295032 0.01087298 -0.06768786
8.32836544 7.83995923 3.42466417
-0.00052921 0.00034589 0.00006837
0.03339812 -0.02008963 0.02675844
11.31640556 8.02152853 4.20541027
-0.00002843 -0.00002201 -0.00097609
-0.01737895 -0.01078759 0.00201617
-8.03881574 -11.38924162 -2.42272550
0.00046056 0.00119738 0.00027533
0.02113395 -0.02506064 -0.00452834
-10.16488354 -9.90653676 -1.27939600
-0.00059442 -0.00028409 0.00048314
-0.00761673 0.00727594 -0.00379538
5.32380475 -15.39000201 -12.59711561
-0.00035353 -0.00018360 0.00029003
0.00276403 -0.01991124 0.00598890
2.64631112 -16.97852856 -11.99532475
0.00030029 0.00088746 0.00015601
0.03581380 0.03692685 -0.01599314
4.82000222 -5.05860163 -4.82123742
-0.00004767 0.00019094 0.00097809
0.01584408 -0.00190605 -0.00131249
4.82220736 -6.84029474 -2.39636782
0.00140858 -0.00033780 0.00036186
-0.00017041 0.01253715 -0.01575830
16.81349287 2.61682530 24.08928944
0.00005821 -0.00009673 -0.00013452
-0.00273463 -0.00581302 0.00433652
19.31764487 3.20904753 25.57865978
0.00053780 -0.00039868 0.00048678
-0.00251143 -0.01131233 -0.01172291
-9.59987100 1.05647923 1.40773561
0.00017604 -0.00039745 0.00006360
-0.01038552 0.00796126 0.00760322
-9.79854564 3.89329692 2.46955438
-0.00043584 -0.00107149 0.00068122
-0.00930714 -0.00408643 0.00158967
-5.13039087 13.77270937 -8.81641526
0.00061139 -0.00101329 0.00044086
-0.00850452 0.00769276 0.00173222
-7.75337695 12.44571954 -8.90243976
0.00076408 -0.00011514 0.00005699
-0.01998557 -0.00516579 0.01192272
0.72561293 11.83076287 -6.81943708
0.00141757 -0.00024386 0.00094342
-0.00549811 0.00416392 0.01180410
1.96345599 14.57760409 -6.50999376
-0.00056367 -0.00021419 0.00045983
0.00319803 0.01172900 0.03129763
-10.45958676 8.37263565 -12.85121949
-0.00055360 -0.00116100 -0.00018715
0.00711572 -0.01036570 -0.00865882
-12.04799664 9.92342927 -11.14561024
0.00050899 -0.00028680 0.00026668
0.00037061 0.00656590 0.00289317
7.46498767 5.11054036 13.01312612
0.00072752 0.00043521 0.00087969
0.01680820 -0.01361755 0.01413732
9.75568873 3.83982897 14.55530644
0.00004754 0.00004271 0.00018195
0.00185775 0.00768304 -0.01669680
-14.13130895 10.28921209 -7.40110727
-0.00013900 0.00053697 0.00121160
0.01968715 0.01775983 0.00239644
-16.90393316 10.89749480 -7.97990310
-0.00005265 -0.00033974 0.00005900
0.00488629 -0.00557414 -0.00120329
9.01594278 9.41384848 -2.34381661
0.00043311 -0.00034197 0.00048473
0.01129421 0.03437548 0.02287894
7.88057633 8.26801915 -4.58837751
0.00008994 -0.00040907 0.00015405
0.01513610 -0.02580811 0.02926089
14.48380966 -18.95271548 -27.55540722
0.00003888 -0.00027528 0.00023998
-0.00756225 -0.02399368 0.01572205
13.43553860 -20.39383183 -25.17227809
-0.00047540 -0.00003142 0.00027952
-0.00475413 0.01076048 0.02048055
5.37157383 5.28926180 2.18581157
-0.00090075 -0.00039496 0.00011074
-0.01322608 0.02985156 -0.00657626
6.01226205 6.91202300 -0.10077833
-0.00067206 0.00008190 0.00005717
-0.02449667 0.01345547 0.02669800
19.61271872 -6.95452219 -6.77361171
0.00048953 0.00152150 -0.00005759
0.01771750 -0.00644634 0.00978348
17.46994968 -5.06326702 -6.13511847
-0.00038823 0.00024557 0.00086726
0.00053391 -0.00362177 -0.00937480
-2.63596000 -0.80045828 -1.01186342
-0.00021871 0.00044574 0.00007405
-0.00922536 0.01269301 0.02335872
-2.08509067 -1.20097283 -3.67706570
-0.00031268 0.00003112 -0.00096466
0.00497788 -0.00264609 -0.01998170
3.89719910 -3.40896976 -12.07088867
-0.00000355 0.00049570 -0.00034008
0.02171429 -0.02735886 -0.00526121
1.08993656 -2.73540173 -11.72323933
-0.00048013 -0.00023406 -0.00022846
0.00090050 0.00368254 0.00165495
19.57576742 8.23990321 -7.75675763
0.00027180 0.00007072 -0.00076533
0.00236044 0.00888347 0.00867277
20.87664009 8.45771435 -5.11918284
0.00054040 -0.00069161 0.00060415
-0.01715505 0.01137046 -0.01874275
-7.03723384 3.97704735 9.32281228
0.00004042 0.00043664 -0.00086254
-0.01238619 0.04250898 -0.01614937
-7.68391804 6.62823283 10.63273927
0.00085406 0.00021920 -0.00058264
0.00162603 0.00235432 0.00891511
-2.43066533 -17.78277850 11.49681715
0.00066682 -0.00014358 0.00066557
0.00318578 0.00960803 -0.00546233
-2.84228647 -15.20920882 10.15981595
0.00033748 -0.00051398 -0.00035502
-0.00982161 0.00513359 -0.00983092
8.44248385 -0.61811236 -2.89600117
-0.00081165 -0.00046315 -0.00115408
0.02031239 0.00137783 0.03010532
7.70113186 1.16760741 -5.25600546
-0.00085625 0.00063044 -0.00066492
0.00592394 0.00498257 0.00274704
0.41075883 -11.80688450 1.85203754
0.00008111 -0.00029611 0.00035927
0.00228567 0.00684254 -0.00195184
-0.92902692 -10.52179161 -0.40725330
0.00018358 -0.00013620 -0.00024498
0.00079662 0.00720042 0.00235506
-19.74232965 -1.62918609 6.87729401
0.00009073 0.00002172 -0.00052317
0.00774294 -0.00484862 0.02803181
-21.10934207 0.50284929 5.57387767
-0.00094707 0.00041270 0.00110043
-0.00845797 0.01020989 0.00147049
-5.00412148 8.27033166 -26.15850593
0.00012863 -0.00016133 -0.00099840
0.04218244 0.00577016 -0.00928161
-5.80519062 7.24330525 -23.27737629
0.00104682 0.00007083 0.00036485
0.01643261 0.00545366 -0.01161643
4.28113698 1.56871093 -2.66376288
0.00052019 0.00086522 -0.00004457
-0.00104050 -0.01481586 -0.00046393
1.75061845 0.42248830 -1.49101450
0.00065691 -0.00039377 0.00075916
-0.00511714 -0.02424787 -0.00623308
14.87761812 7.39248316 5.66887077
-0.00032647 -0.00011057 -0.00028073
0.00501437 -0.01016411 0.02789428
15.81891229 9.80153590 4.29728398
-0.00091657 -0.00077543 -0.00091531
0.00112807 0.00405407 0.00221060
1.47118363 -11.77473675 -13.81817300
0.00011479 -0.00001394 -0.00017726
0.00104160 0.00429221 0.00299540
-13.56301614 14.56383311 22.67886782
0.00000236 0.00015475 0.00015049
0.00013495 -0.00372662 0.00251399
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02408900
0.34942999
465.59794895
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0542877907
ExchangeOperator: pair fraction: ispin=0: 0.1271822607
ExchangeOperator: bisection time: 1.157 s
total exchange = -52.3677525964 (a.u.)
total exchange computation time: 2.5063529015 s
-154.1396651670
-931.37510189
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0542877907
ExchangeOperator: pair fraction: ispin=0: 0.1271822607
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3669997938 (a.u.)
total exchange computation time: 2.5062880516 s
-154.1469405307
Anderson extrapolation: theta=1.3593247400 (1.3593247400)
-931.37534270
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0542877907
ExchangeOperator: pair fraction: ispin=0: 0.1271822607
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3658384558 (a.u.)
total exchange computation time: 2.5090799332 s
-154.1577548347
Anderson extrapolation: theta=0.0555116721 (0.0555116721)
-931.37548825
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0542877907
ExchangeOperator: pair fraction: ispin=0: 0.1271822607
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3656681903 (a.u.)
total exchange computation time: 2.5102710724 s
-154.1591028271
Anderson extrapolation: theta=1.9555687700 (1.9555687700)
-931.37549394
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0542877907
ExchangeOperator: pair fraction: ispin=0: 0.1271822607
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3653080370 (a.u.)
total exchange computation time: 2.5081579685 s
-154.1618594309
Anderson extrapolation: theta=0.2162289531 (0.2162289531)
-931.37549981
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0542877907
ExchangeOperator: pair fraction: ispin=0: 0.1271822607
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3652245963 (a.u.)
total exchange computation time: 2.5075619221 s
-154.1624206337
Anderson extrapolation: theta=1.7981951989 (1.7981951989)
-931.37550087
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0542877907
ExchangeOperator: pair fraction: ispin=0: 0.1271822607
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3650996858 (a.u.)
total exchange computation time: 2.5104930401 s
-154.1631819218
Anderson extrapolation: theta=0.2758535551 (0.2758535551)
-931.37550206
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0542877907
ExchangeOperator: pair fraction: ispin=0: 0.1271822607
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3650902170 (a.u.)
total exchange computation time: 2.5082321167 s
-154.1631605155
Anderson extrapolation: theta=1.3495572291 (1.3495572291)
-931.37550233
-23.517082 -171.697056 -244.350188
-138.467291 458.571653 -804.261102
-161.984373 286.874596 -1048.611290
1099.145854
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0542877907
ExchangeOperator: pair fraction: ispin=0: 0.1271822607
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3650954474 (a.u.)
total exchange computation time: 2.5087990761 s
678.83312290
-1084.02534501
89.74306983
-388.79229301
-174.76896176
78.43189314
551.60419304
0.00000000
-931.37550251
-9.26099640 -5.41477721 9.60531238
0.00005645 0.00020913 0.00026647
0.03204874 -0.01814997 0.03819976
-13.86686252 5.08832233 9.05287371
0.00007631 -0.00016461 -0.00019794
0.00760152 -0.01135658 -0.01180647
-15.77730732 1.61802905 2.96909140
-0.00010199 -0.00019306 -0.00005688
-0.00967580 0.00684670 0.02230433
2.46158960 -19.68559808 13.22276911
-0.00007435 0.00005913 0.00020263
-0.00251946 -0.00296151 -0.00256169
9.57370345 20.80903143 0.53908695
0.00046412 0.00018215 -0.00015110
0.00813020 -0.03704470 -0.00253225
-11.09739114 12.72811113 15.15020812
-0.00013414 0.00017208 0.00018488
-0.00700269 0.01276529 -0.00232951
-6.03059437 1.16006305 -13.01271121
-0.00002598 0.00008189 0.00012292
0.01603747 0.02554645 -0.04333763
-9.03631488 6.53104225 -6.87889560
0.00032302 0.00034464 0.00002058
-0.00279852 0.00510514 0.00852093
-7.62029023 -3.69298702 18.06612386
0.00025975 0.00007757 -0.00012458
0.00045889 -0.05015398 -0.02741288
-23.26442636 -7.53782285 -23.38990354
-0.00028255 -0.00026468 -0.00021718
-0.02629838 0.03310740 -0.00465985
8.18057737 12.92927734 6.52535929
0.00060173 0.00013987 0.00028668
0.01200628 -0.00505221 -0.02340439
23.35002307 29.12544975 -3.30569557
-0.00037317 -0.00042254 0.00032084
-0.00498586 -0.02519091 0.01084182
9.20042879 -0.16465760 -14.62680787
0.00053559 0.00027005 0.00008356
-0.00462981 0.00331089 -0.00465476
-8.94618308 -1.00312974 12.74059044
-0.00037397 -0.00033569 -0.00036097
0.01283789 0.00718278 -0.01128751
-2.08728832 -25.94672630 10.44326226
-0.00020916 0.00003262 0.00023738
0.02744817 0.01061363 -0.04505813
-15.15012259 -4.23566893 -7.21677635
-0.00018200 0.00027531 0.00004257
-0.00659448 0.01832358 -0.01611292
-19.38785223 -10.98341374 -18.29855930
0.00004293 -0.00016094 0.00004575
-0.01607809 0.01662307 0.01037076
21.41340908 5.15109453 4.66726599
-0.00043238 0.00045518 -0.00007787
0.00604640 0.04718561 -0.00757511
18.98070933 -11.66970040 -13.44872971
0.00081499 0.00006802 0.00019417
-0.02481835 0.02444506 0.02718794
-2.93575516 -0.20902224 -6.67811677
-0.00039482 -0.00027821 0.00021618
-0.00690885 0.01204309 -0.00240101
-3.94328288 -3.18111363 -17.52047350
0.00027397 0.00002593 -0.00009220
-0.01313484 0.03671528 0.00146565
14.21701192 16.43913461 -21.23216910
-0.00016071 0.00000179 -0.00002100
-0.00077095 -0.00235312 0.00622900
-14.75401909 17.34894274 -13.22501798
0.00041412 0.00060831 -0.00008411
-0.00842335 -0.01170727 -0.00444331
1.63259426 15.04954355 8.18928454
-0.00039031 0.00015253 -0.00039034
-0.03356156 0.01676742 0.00699799
-4.53215224 -9.28839950 3.95531697
0.00018521 0.00018357 -0.00000968
-0.00591590 -0.00265233 0.03630310
2.12616730 -5.21271008 2.36222204
-0.00006974 -0.00001072 0.00000156
-0.02331906 -0.04528613 0.03000785
9.71414562 7.06399879 4.54085184
-0.00012810 0.00012814 -0.00011913
-0.01115892 0.03131254 -0.03552129
-9.19211373 -10.07940098 -2.82142647
-0.00012059 -0.00042116 0.00006910
-0.01488884 0.02143658 0.02600937
3.55984888 -15.58488111 -13.00024812
-0.00013590 -0.00015864 -0.00022754
-0.04785062 -0.01183114 0.00835557
3.79288308 -5.70898628 -3.45426431
-0.00013923 0.00012970 0.00028843
-0.00870566 -0.01811612 0.02797804
18.43324723 1.89397909 24.57014909
-0.00012915 0.00023208 -0.00008336
0.00767431 0.00056757 0.00323571
-8.80372659 2.70482264 1.52198389
-0.00008695 -0.00023372 0.00002358
0.01096132 -0.00496513 -0.01286455
-6.28694225 12.81550944 -9.87987672
0.00053153 -0.00026920 0.00020978
0.01764067 -0.00199530 -0.02357554
1.63737450 13.20181514 -7.57930524
-0.00003988 0.00018134 -0.00013369
0.00293404 -0.02052077 -0.03979665
-10.86048924 10.10804191 -12.52183867
-0.00038443 0.00009722 0.00000752
-0.00822258 -0.00495055 0.00320284
7.97416331 4.18050208 14.55061411
-0.00034754 -0.00031755 0.00002087
-0.01116069 -0.00619738 0.00884915
-15.59237565 9.61021017 -8.17266522
0.00025844 0.00038667 0.00046036
-0.01862161 -0.00452194 -0.00434243
8.85472832 7.78668296 -2.99988997
-0.00037256 0.00001487 -0.00024237
-0.03144050 -0.01504309 -0.04444176
14.15901911 -20.66755899 -26.78431821
0.00007578 -0.00012923 0.00006774
0.01163694 0.02217956 -0.02935897
4.97245779 7.05849966 1.52883556
0.00019653 -0.00032979 0.00028148
0.03923855 -0.04571157 -0.01814601
18.41254404 -5.85740640 -7.54079464
-0.00030737 -0.00003956 -0.00025793
-0.01681337 0.01563379 0.01584416
-1.86177125 -2.01948848 -2.06571833
-0.00012139 -0.00032365 -0.00000844
0.00650124 -0.00256323 0.00238684
2.78017749 -2.03245439 -12.02594085
0.00004562 -0.00015299 -0.00004189
-0.02378990 0.02436335 0.00643615
19.59468314 9.36310941 -6.25397477
0.00008037 -0.00005191 0.00020420
0.02387276 -0.03198290 0.00966358
-7.48786265 5.88957077 8.98938208
-0.00022712 -0.00046611 -0.00030718
0.00987011 -0.03830257 -0.00007780
-1.87744739 -16.03485404 11.44894828
0.00018298 -0.00017055 -0.00017671
0.00423658 -0.01054549 0.01542070
7.54460002 -0.45582806 -4.42854005
0.00020286 -0.00014641 -0.00039387
-0.02758491 0.01562966 -0.03712089
-0.94510597 -12.05622376 0.61756404
-0.00017210 -0.00020056 0.00006323
-0.00281815 -0.01467204 0.00564017
-19.96172552 -0.84500761 5.26908965
0.00011391 0.00037235 0.00009351
-0.00645541 0.00991331 -0.03532184
-6.23727548 7.79900990 -24.97156907
-0.00053450 0.00024818 -0.00047908
-0.04513130 -0.00713210 0.03317165
2.72704142 1.88287924 -1.77549509
-0.00056088 0.00010151 -0.00012468
0.00588820 0.03604453 0.00164977
14.84770432 8.27031192 4.11168211
-0.00014466 0.00008430 0.00015678
-0.01474067 -0.00354245 -0.03081835
-8.24919779 -6.76720957 10.57653363
-0.00034859 -0.00033495 -0.00097367
-0.01833994 0.02629720 -0.02124307
-10.00406595 -6.30978942 8.25172378
-0.00001451 0.00045012 0.00023067
-0.00950885 -0.01045134 -0.01377286
-13.21317777 6.16767518 7.71039922
0.00046836 -0.00013236 -0.00005954
-0.00160278 0.00113304 -0.00218343
-13.90183182 3.44970098 8.15408553
-0.00011046 0.00009519 -0.00024662
0.00228594 0.00857487 0.02125856
-15.04442571 1.81005885 4.68406737
-0.00010362 -0.00033160 -0.00036661
-0.00201901 -0.00810240 -0.02088993
-17.36898516 0.72363269 3.33555418
0.00099534 0.00058491 0.00033816
0.00626703 0.00546475 0.00150901
3.26317432 -21.21458464 12.54482845
-0.00069565 -0.00154460 -0.00076780
-0.00610330 0.01052204 0.01021111
3.04025176 -19.31202466 14.92447220
0.00025969 0.00042835 0.00172721
0.00227727 -0.00595221 -0.01260306
9.29896534 19.01496640 1.08211405
-0.00074724 -0.00065240 -0.00086520
0.00724682 0.01871457 -0.01547839
8.13342353 21.62859306 1.28109683
0.00086055 -0.00024352 0.00014514
-0.00769294 0.01834204 0.01181431
-10.46257789 12.78489351 16.92480081
-0.00056362 -0.00100891 -0.00029282
0.00064705 -0.00838260 -0.00898940
-11.85284774 14.39139654 14.96202598
0.00118032 -0.00043346 0.00124813
0.00000403 -0.00495875 -0.00507193
-5.79317803 -0.05002260 -14.35455068
-0.00062163 -0.00026851 0.00054894
0.00088043 0.00165140 0.00153729
-6.30364280 0.31558499 -11.50950118
-0.00023326 -0.00099101 -0.00028902
-0.01491352 -0.02958553 0.04178633
-8.43680330 8.16867195 -6.28042495
0.00039400 0.00037650 -0.00019037
0.00049458 -0.01002103 -0.00763139
-10.08874892 6.11368951 -5.42585681
0.00034615 0.00014695 0.00090111
-0.00229695 0.00478446 -0.00526522
-7.48251122 -1.96517492 18.11912573
-0.00029634 -0.00032643 -0.00000155
0.00237500 0.05357788 -0.00167257
-7.55624179 -4.23175273 19.76322043
0.00072483 -0.00009116 0.00058912
0.00072437 -0.00957882 0.02730353
-24.77304285 -6.46455078 -23.19623948
0.00029002 0.00041889 -0.00010354
0.00220344 -0.01966737 -0.00492980
-22.11575243 -6.12510577 -23.21430894
0.00063489 -0.00011140 -0.00049187
0.01562394 -0.00969540 -0.00357633
8.80838886 12.95471239 4.72494261
-0.00016245 0.00050237 -0.00095968
-0.01286803 0.00285535 0.02889616
9.13409753 11.62565627 7.45120411
-0.00066526 0.00104310 0.00000082
0.00185547 0.00567322 -0.00553696
23.25013013 27.42646136 -2.45293037
0.00148911 -0.00100382 0.00042360
0.00653850 0.02392213 -0.01751046
23.22132622 30.29767162 -1.90674344
-0.00019022 0.00004771 0.00036487
-0.00336563 0.00161041 0.00494453
10.95000318 -0.69880329 -14.54844684
-0.00084675 -0.00030862 0.00002835
-0.00927273 0.00108197 0.00172779
8.14492538 -1.66865800 -14.34350468
-0.00016630 0.00052375 -0.00088930
0.01239953 -0.00040506 -0.00015687
-9.85080532 -0.83621836 14.27273564
0.00017245 0.00038744 0.00059415
-0.00722689 -0.00256382 0.01410707
-9.58440789 -2.42176681 11.80719417
0.00115662 0.00041904 -0.00063916
-0.00317497 -0.00892618 -0.00072611
-2.79427389 -26.35324561 12.03483932
-0.00024642 -0.00000625 0.00019864
-0.02309189 -0.00999142 0.02245730
-3.22051988 -25.83562733 9.00212974
-0.00000138 0.00016650 -0.00005668
-0.00261805 -0.00087643 0.01365098
-14.59112405 -2.70046107 -6.23274537
-0.00016872 0.00084453 -0.00014262
-0.00262841 -0.01482746 -0.00048837
-16.29668896 -3.39214968 -8.40726468
0.00044746 -0.00025423 -0.00065669
0.00854139 -0.01386356 0.00543485
-18.87044731 -9.23689560 -18.72321815
-0.00058489 0.00118137 -0.00080003
0.00487613 -0.02619914 0.00070048
-18.24222888 -12.32118681 -18.77930391
-0.00053964 -0.00036950 0.00022785
0.01327678 0.00722926 -0.01027304
22.53556523 6.01080222 3.42522628
0.00045810 -0.00079953 0.00035277
-0.01076337 -0.01953983 0.01199787
20.43169113 6.65164282 5.22605386
-0.00086385 0.00008326 0.00099379
0.00685909 -0.02384803 -0.00120747
18.01094415 -10.95667893 -11.83434089
0.00052648 0.00071224 0.00010492
0.01745245 -0.01750195 -0.04777156
18.22405708 -10.76322947 -14.90561608
0.00049988 0.00022713 0.00075039
0.00612687 -0.00599046 0.01768377
-2.40694078 1.37388105 -7.39601051
0.00069029 -0.00080916 0.00079552
0.01583734 -0.00107023 -0.00287575
-4.60140677 0.27769509 -6.12010972
-0.00023314 0.00059232 -0.00006946
-0.00921003 -0.00723881 0.00285895
-2.83706045 -4.44958228 -18.08091545
0.00016695 -0.00015038 -0.00103423
0.01330596 -0.01899298 -0.01045493
-3.65163667 -1.67561665 -18.61659542
0.00013861 -0.00024388 -0.00007758
-0.00386410 -0.01216515 0.01362643
13.67124498 17.27789161 -19.67649175
0.00078437 0.00072071 -0.00075218
0.00265544 -0.00545763 -0.01550548
12.69887243 15.67684859 -21.99667225
0.00032566 0.00005297 -0.00057466
0.00230997 0.00701831 0.01303797
-13.66681993 17.22328132 -11.78212553
-0.00088170 -0.00012645 -0.00028920
0.00428175 0.00093373 0.00640020
-14.64847125 15.62017023 -13.99922039
-0.00013942 -0.00062385 -0.00093496
-0.00171627 0.01458382 -0.00167208
1.47465602 15.74828435 6.53578096
0.00074081 0.00016132 -0.00030550
0.01683922 -0.00456597 -0.02112982
0.11176972 15.97829449 8.81485909
0.00051787 -0.00062491 -0.00070841
0.01573609 -0.01756232 0.01582627
-5.80278568 -8.46572541 2.98239818
0.00113169 0.00114964 -0.00108776
-0.00724461 0.01055996 -0.01580641
-3.29967663 -10.06331266 2.91404660
0.00102496 -0.00116482 0.00064335
0.01445246 -0.00844360 -0.02522094
1.64195065 -3.64458729 2.98901561
-0.00077053 -0.00068465 -0.00035646
-0.01878954 0.03852073 0.03554620
3.05475518 -4.56812463 1.07356085
0.00021406 0.00135560 -0.00030065
0.04868197 0.00803199 -0.06157974
8.32145076 7.84453197 3.42650967
-0.00039153 0.00026251 0.00017843
0.03399740 -0.02072597 0.02711717
11.31544652 8.02086779 4.19083068
-0.00010049 -0.00006682 -0.00096671
-0.01789435 -0.01114733 0.00257477
-8.03125980 -11.37204882 -2.41873433
0.00055478 0.00108641 0.00026010
0.02498712 -0.02926217 -0.00292822
-10.17403321 -9.91057522 -1.27226514
-0.00061993 -0.00025577 0.00045982
-0.00487251 0.00658772 -0.00762308
5.31858643 -15.39336617 -12.59258164
-0.00034029 -0.00026380 0.00031417
0.00371919 -0.01934584 0.00582780
2.65191285 -16.96408508 -11.99347462
0.00044148 0.00103148 0.00009419
0.03330383 0.03357006 -0.01426888
4.81977269 -5.05579595 -4.80660624
0.00001976 0.00018663 0.00096618
0.01716072 -0.00020586 -0.00451830
4.84333080 -6.84497752 -2.39142288
0.00139796 -0.00027763 0.00029019
-0.00502651 0.01691497 -0.01932095
16.81428229 2.61519628 24.08740446
0.00004425 -0.00011759 -0.00011697
-0.00409957 -0.00439966 0.00425771
19.32563493 3.20272063 25.58560219
0.00052492 -0.00044474 0.00043712
-0.00379524 -0.01123492 -0.01258402
-9.59754863 1.05076143 1.40892258
0.00013435 -0.00036511 0.00009432
-0.01002030 0.00786926 0.00743271
-9.80536850 3.87709933 2.47982142
-0.00047327 -0.00108741 0.00068761
-0.00901379 -0.00370606 0.00153949
-5.12148060 13.75774571 -8.80974926
0.00057857 -0.00098002 0.00044929
-0.00756043 0.00859661 0.00239590
-7.74252814 12.44383409 -8.90121954
0.00067892 -0.00013748 0.00010753
-0.02170309 -0.00576986 0.01281717
0.74670806 11.82723254 -6.80492403
0.00139525 -0.00022702 0.00098979
-0.00542740 0.00408045 0.01089229
1.95509896 14.57475058 -6.50213725
-0.00054925 -0.00016540 0.00058665
0.00386049 0.01215415 0.03078209
-10.46767275 8.35490299 -12.85429203
-0.00052848 -0.00118428 -0.00021925
0.00518013 -0.00102699 -0.00705552
-12.04035043 9.91932842 -11.14152137
0.00050667 -0.00025974 0.00028279
-0.00150756 0.00668129 0.00499221
7.47641559 5.11665129 13.02675469
0.00079186 0.00038393 0.00092979
0.01468655 -0.01148868 0.01038479
9.75645874 3.84070512 14.55752401
0.00005025 0.00007485 0.00011495
-0.00053180 0.00804895 -0.01610088
-14.13279073 10.29781085 -7.38285980
-0.00006045 0.00060928 0.00122024
0.01876593 0.01763799 0.00183417
-16.90457325 10.89222792 -7.97905502
-0.00003555 -0.00035880 0.00005478
0.00348827 -0.00375538 -0.00085922
9.02278554 9.40977233 -2.33584458
0.00047861 -0.00020386 0.00057597
0.01097656 0.03323137 0.02178400
7.88238918 8.26109231 -4.58517018
0.00014810 -0.00051087 0.00026823
0.01333657 -0.02402569 0.02663223
14.48416112 -18.95757989 -27.55132571
0.00000856 -0.00037056 0.00030288
-0.00727946 -0.02264669 0.01506881
13.42826187 -20.39397337 -25.16745769
-0.00049152 0.00001110 0.00035574
-0.00313365 0.01005340 0.01682903
5.35765733 5.28425208 2.18727116
-0.00095244 -0.00027492 0.00008387
-0.01207793 0.02890964 -0.00657748
6.00143046 6.91366381 -0.09910272
-0.00076939 0.00013534 0.00016432
-0.02314785 0.01270288 0.02575309
19.62060458 -6.93189721 -6.77417583
0.00056592 0.00149174 -0.00001617
0.01967742 -0.00812190 0.01049362
17.46414254 -5.05969449 -6.12239683
-0.00038074 0.00022613 0.00081873
0.00313483 -0.00589539 -0.01438061
-2.63952335 -0.79338318 -1.01003690
-0.00025125 0.00048997 0.00016196
-0.00670484 0.00895765 0.01967545
-2.08962829 -1.20058717 -3.69214788
-0.00029083 0.00001384 -0.00103238
0.00571670 -0.00580943 -0.01316695
3.89781119 -3.40237269 -12.07615115
0.00009039 0.00037706 -0.00036151
0.02427008 -0.03071226 -0.00522767
1.08276226 -2.73879977 -11.72661547
-0.00047072 -0.00021741 -0.00022256
0.00370502 0.00446523 0.00123115
19.57991682 8.24123617 -7.76797182
0.00028192 0.00011148 -0.00072229
0.00259292 0.01107049 0.01239478
20.88422036 8.44768869 -5.11069498
0.00046533 -0.00064225 0.00052274
-0.01959162 0.01278889 -0.02110520
-7.03700704 3.98489961 9.30937924
-0.00000931 0.00060342 -0.00092521
-0.01195926 0.03912859 -0.01452588
-7.67105725 6.63159296 10.62427285
0.00086092 0.00022865 -0.00054525
0.00173025 0.00227090 0.00938787
-2.42056541 -17.78463778 11.50663338
0.00067875 -0.00010650 0.00064279
0.00265283 0.00854412 -0.00569094
-2.83752524 -15.21676117 10.15418935
0.00029652 -0.00049304 -0.00039585
-0.01022854 0.00511664 -0.01015346
8.43093158 -0.62501736 -2.91238992
-0.00071834 -0.00045776 -0.00101417
0.02536113 0.00125891 0.03838560
7.68846963 1.17721673 -5.26589508
-0.00083210 0.00064118 -0.00064820
0.00589597 0.00027271 0.00543826
0.41204559 -11.81111641 1.85736685
0.00008689 -0.00026872 0.00034792
0.00054024 0.00656454 -0.00360496
-0.92624879 -10.52361396 -0.41085582
0.00018641 -0.00010915 -0.00023328
0.00058975 0.00603862 0.00337236
-19.74073142 -1.62900893 6.87030540
0.00012311 -0.00000091 -0.00040391
0.00810570 -0.00622661 0.03034578
-21.12380732 0.50935267 5.59042912
-0.00097158 0.00044294 0.00110352
-0.00353919 0.00459095 0.00004215
-5.00089949 8.26808853 -26.17376638
0.00029163 -0.00014101 -0.00102867
0.03761162 0.00417882 -0.00553718
-5.78898482 7.24453487 -23.27225953
0.00110817 0.00009834 0.00030081
0.01360001 0.00801152 -0.01973132
4.28890799 1.58123527 -2.66444562
0.00050530 0.00080627 -0.00003996
-0.00625158 -0.01404100 0.00271853
1.76031523 0.41583867 -1.47981817
0.00063555 -0.00049435 0.00073395
-0.00533708 -0.02498470 -0.00610427
14.87287470 7.39051322 5.66551465
-0.00030531 -0.00015292 -0.00016321
0.00534233 -0.01057074 0.02962901
15.80519826 9.79002871 4.28362207
-0.00090147 -0.00074259 -0.00090291
0.00626275 0.01201969 0.00386078
1.47290820 -11.77493434 -13.82082390
0.00011516 -0.00001239 -0.00017618
0.00106952 0.00435934 0.00304020
-13.56298050 14.56614782 22.68112952
0.00000236 0.00015388 0.00015108
-0.00012315 -0.00374198 0.00258113
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02404122
0.35146128
468.30453807
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1288263926
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3643426205 (a.u.)
total exchange computation time: 2.5828499794 s
-154.1170385050
-931.37762989
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1288263926
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3635686130 (a.u.)
total exchange computation time: 2.5774559975 s
-154.1243568559
Anderson extrapolation: theta=1.3852174212 (1.3852174212)
-931.37788368
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1284802596
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3621391030 (a.u.)
total exchange computation time: 2.4915947914 s
-154.1353935069
Anderson extrapolation: theta=0.0322473803 (0.0322473803)
-931.37786000
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1284802596
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3619650504 (a.u.)
total exchange computation time: 2.4960718155 s
-154.1367230045
Anderson extrapolation: theta=2.5487019815 (2.0000000000)
-931.37786942
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1284802596
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3615647611 (a.u.)
total exchange computation time: 2.4933638573 s
-154.1397226336
Anderson extrapolation: theta=0.4497017717 (0.4497017717)
-931.37788279
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1284802596
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3613796426 (a.u.)
total exchange computation time: 2.4932160378 s
-154.1410531959
Anderson extrapolation: theta=0.8530756313 (0.8530756313)
-931.37788670
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1284802596
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3612503747 (a.u.)
total exchange computation time: 2.4948651791 s
-154.1419175429
Anderson extrapolation: theta=0.7037476355 (0.7037476355)
-931.37788922
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1284802596
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3611984540 (a.u.)
total exchange computation time: 2.4950261116 s
-154.1421911515
Anderson extrapolation: theta=0.6481824145 (0.6481824145)
-931.37789049
-23.477240 -171.682591 -244.386231
-138.432204 458.547784 -804.268325
-161.909444 286.865193 -1048.654556
1099.173637
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1284802596
ExchangeOperator: bisection time: 1.150 s
total exchange = -52.3611984148 (a.u.)
total exchange computation time: 2.4927909374 s
678.76425625
-1083.86850112
89.74359257
-388.89946773
-174.75657261
78.34533863
551.60419304
0.00000000
-931.37789105
-9.26002598 -5.41171031 9.60945680
0.00007271 0.00019984 0.00028567
0.03116113 -0.01795797 0.03646170
-13.86568858 5.08580931 9.04985909
0.00008024 -0.00017001 -0.00020392
0.00768679 -0.00963326 -0.01144896
-15.77887451 1.61515953 2.96832420
-0.00010536 -0.00018863 -0.00004610
-0.00341197 0.01037153 0.01962931
2.46046467 -19.68472259 13.22579862
-0.00007411 0.00005660 0.00020298
0.00345549 -0.00686307 0.00394269
9.58069668 20.81162073 0.53681066
0.00046846 0.00016168 -0.00015239
0.00874304 -0.04256212 -0.00246126
-11.09943032 12.73074150 15.15297240
-0.00013711 0.00017652 0.00018324
-0.00451213 0.00451087 -0.00406510
-6.03092215 1.16139001 -13.01103463
-0.00001780 0.00009450 0.00010153
0.01574755 0.02345841 -0.03984149
-9.03148037 6.53623154 -6.87855400
0.00032073 0.00034688 0.00002589
-0.00608903 0.00359950 0.01211051
-7.61639228 -3.69201696 18.06414948
0.00026005 0.00005025 -0.00013699
0.00073801 -0.05606401 -0.02085762
-23.26876604 -7.54166531 -23.39317920
-0.00029501 -0.00024672 -0.00021948
-0.02214639 0.03672791 -0.00429230
8.18964970 12.93135583 6.52956916
0.00060666 0.00013935 0.00027228
0.00715311 0.00305026 -0.03258690
23.34440634 29.11901443 -3.30084112
-0.00037558 -0.00043554 0.00032700
-0.00439956 -0.02536645 0.01310040
9.20844485 -0.16059410 -14.62557244
0.00053089 0.00027229 0.00008099
-0.01368130 0.00542016 -0.00534321
-8.95174316 -1.00813738 12.73513234
-0.00036701 -0.00032993 -0.00036460
0.01422291 0.01522462 -0.00282046
-2.09031980 -25.94619600 10.44664910
-0.00019505 0.00003814 0.00021413
0.02742071 0.01084225 -0.04535532
-15.15287810 -4.23146868 -7.21619996
-0.00018502 0.00028479 0.00003466
-0.00511841 0.01856084 -0.01463232
-19.38727030 -10.98576376 -18.29783303
0.00003460 -0.00015018 0.00005086
-0.01631455 0.02521601 0.00951501
21.40694676 5.15810431 4.66606875
-0.00042975 0.00047894 -0.00008103
0.00417484 0.04518225 -0.00472114
18.99283851 -11.66858582 -13.44571232
0.00080209 0.00008068 0.00020858
-0.02535988 0.02477652 0.02887415
-2.94170415 -0.21314895 -6.67488331
-0.00039860 -0.00027263 0.00021528
-0.00776191 0.00965612 -0.00109427
-3.93922401 -3.18058307 -17.52185091
0.00026784 0.00004375 -0.00009158
-0.01071936 0.03258519 0.00096340
14.21459826 16.43915232 -21.23246008
-0.00016021 0.00000023 -0.00001875
0.00270876 -0.00367980 0.00251123
-14.74783978 17.35802222 -13.22629675
0.00040865 0.00060061 -0.00008880
-0.01283215 -0.01821472 -0.01380701
1.62661014 15.05189613 8.18345645
-0.00040594 0.00016004 -0.00038715
-0.02719984 0.01246316 0.00538244
-4.52939685 -9.28565626 3.95531180
0.00018280 0.00018184 0.00000760
-0.00347217 -0.00404809 0.03091384
2.12503122 -5.21304563 2.36236125
-0.00007968 -0.00003395 0.00001430
-0.01532984 -0.04504804 0.01953301
9.71218108 7.06604175 4.53892781
-0.00013378 0.00014433 -0.00013748
-0.01091036 0.03161891 -0.03580515
-9.19398001 -10.08563562 -2.82028963
-0.00012977 -0.00040909 0.00008310
-0.02080658 0.02546530 0.02841600
3.55762578 -15.58730634 -13.00362897
-0.00015984 -0.00016383 -0.00022379
-0.04523168 -0.00835121 0.00620787
3.79076105 -5.70711074 -3.44982992
-0.00014287 0.00011904 0.00030432
-0.00545780 -0.02331408 0.03381691
18.43133953 1.89746254 24.56891110
-0.00012456 0.00023200 -0.00008153
0.01020789 -0.00089255 0.00391307
-8.80498851 2.70129761 1.52228796
-0.00008152 -0.00023631 0.00001703
0.01015916 -0.00507994 -0.01258857
-6.27890123 12.81146382 -9.87682090
0.00054064 -0.00027043 0.00019734
0.01779022 -0.00280151 -0.02480138
1.63678756 13.20445615 -7.58146404
-0.00003854 0.00017092 -0.00015357
0.00229359 -0.02002430 -0.03753049
-10.86628747 10.10948114 -12.52171347
-0.00038766 0.00009236 0.00000831
-0.00431879 -0.01397111 -0.00013108
7.96890716 4.17571494 14.55096135
-0.00035208 -0.00032144 0.00002637
-0.00648026 -0.00895281 0.01252504
-15.58857090 9.61599280 -8.16577652
0.00024966 0.00038396 0.00045819
-0.01552328 -0.00603397 -0.00409942
8.84901861 7.78684798 -3.00369699
-0.00038802 0.00000727 -0.00026388
-0.02866180 -0.01450261 -0.03920250
14.16020065 -20.66941190 -26.78341540
0.00008115 -0.00011809 0.00005393
0.00924061 0.02112647 -0.02431702
4.97555705 7.05337647 1.53298782
0.00021595 -0.00035267 0.00027250
0.03629111 -0.04326073 -0.01679190
18.40786863 -5.85793944 -7.54460249
-0.00031696 -0.00003070 -0.00024869
-0.02048925 0.01880773 0.02009387
-1.86356706 -2.02435310 -2.06583577
-0.00011889 -0.00032315 -0.00000788
0.00321783 0.00451025 -0.00019766
2.78076997 -2.03465521 -12.02654439
0.00003224 -0.00013992 -0.00003836
-0.02821778 0.02645154 0.00729202
19.59598082 9.36220737 -6.25087448
0.00009309 -0.00006925 0.00020884
0.02557059 -0.03543792 0.00839034
-7.49123135 5.88243133 8.98477414
-0.00022231 -0.00048456 -0.00030761
0.00882772 -0.03342968 -0.00162358
-1.87468637 -16.03745289 11.44635704
0.00018535 -0.00017552 -0.00016872
0.00497090 -0.00880877 0.01568489
7.54753652 -0.45796389 -4.43459127
0.00018758 -0.00013699 -0.00041543
-0.03182418 0.02098775 -0.04671005
-0.94769835 -12.05928880 0.61853429
-0.00017309 -0.00020768 0.00006633
-0.00102659 -0.01299728 0.00639722
-19.96004180 -0.83938406 5.27035598
0.00010928 0.00037906 0.00007534
-0.01153149 0.01616485 -0.03532671
-6.24546703 7.80270505 -24.97862731
-0.00055553 0.00024436 -0.00046121
-0.03667126 -0.00772200 0.03631289
2.71865093 1.88454088 -1.77735896
-0.00055666 0.00011988 -0.00012462
0.01051074 0.03542180 -0.00141382
14.84547760 8.27156278 4.11391493
-0.00015365 0.00008039 0.00014036
-0.02024283 -0.01165143 -0.03303642
-8.25498867 -6.77142799 10.56127767
-0.00042029 -0.00022900 -0.00105584
-0.01675800 0.02556428 -0.01898017
-10.00457498 -6.30335792 8.25476178
-0.00005435 0.00040857 0.00017337
-0.00999534 -0.00988810 -0.01427654
-13.20620148 6.16572451 7.70943915
0.00046109 -0.00012827 -0.00006779
-0.00195499 0.00087042 -0.00185428
-13.90341861 3.45139153 8.15103769
-0.00010098 0.00012744 -0.00016114
0.00235247 0.00721569 0.02058204
-15.04604181 1.80483663 4.67792808
-0.00010888 -0.00036314 -0.00044801
-0.00055872 -0.00733926 -0.01895419
-17.35386303 0.73257382 3.34067280
0.00100518 0.00059856 0.00034603
-0.00144847 0.00121801 0.00234600
3.25255260 -21.23743127 12.53362431
-0.00072679 -0.00148874 -0.00071858
-0.00913903 0.01682488 0.01388156
3.04421692 -19.30578187 14.94999413
0.00026256 0.00039730 0.00165390
-0.00087180 -0.00924642 -0.02328296
9.28797884 19.00575394 1.06866171
-0.00071495 -0.00056864 -0.00093023
0.00855887 0.02228454 -0.01635146
8.14609599 21.62550226 1.28363597
0.00082497 -0.00016557 0.00019503
-0.00972206 0.01981461 0.01260884
-10.47101233 12.76950292 16.92013312
-0.00055784 -0.00104307 -0.00032299
0.00218077 -0.00833533 -0.00578017
-11.83514285 14.38474276 14.98059246
0.00117221 -0.00043642 0.00122428
-0.00397374 0.00350867 -0.00659948
-5.80247551 -0.05399971 -14.34626941
-0.00061734 -0.00026242 0.00055149
0.00122187 0.00133097 -0.00029068
-6.30759864 0.29981321 -11.51255607
-0.00029376 -0.00110691 -0.00012244
-0.01470495 -0.02714644 0.03975753
-8.43087814 8.17401242 -6.28351438
0.00039580 0.00033582 -0.00022119
0.00038637 -0.00989469 -0.00745279
-10.08362711 6.11604033 -5.41250151
0.00034313 0.00016936 0.00087139
0.00082089 0.00618539 -0.00928399
-7.48688359 -1.96842957 18.11905126
-0.00028612 -0.00010035 -0.00000826
0.00263004 0.05709012 -0.00161482
-7.54534713 -4.23341360 19.77289397
0.00072756 -0.00012610 0.00068709
0.00061270 -0.00752443 0.02064888
-24.76862503 -6.45887013 -23.19794366
0.00029766 0.00033922 -0.00012352
0.00153510 -0.01933054 -0.00484998
-22.10575034 -6.12707389 -23.22179658
0.00069191 -0.00015891 -0.00050756
0.01229077 -0.01356118 -0.00410264
8.80555773 12.96233542 4.71143283
-0.00021668 0.00051277 -0.00083167
-0.01367415 0.00223416 0.03376666
9.12417555 11.64147668 7.45104679
-0.00064671 0.00105188 -0.00001341
0.00722162 -0.00137946 -0.00143036
23.27266712 27.41213707 -2.44711290
0.00151427 -0.00090170 0.00035084
0.00577835 0.02606934 -0.01810612
23.21836983 30.29843658 -1.90111890
-0.00020402 0.00004995 0.00038183
-0.00338966 -0.00051269 0.00336053
10.93701771 -0.70339939 -14.54796861
-0.00086649 -0.00030918 0.00003612
-0.00038876 -0.00135585 0.00207703
8.14281084 -1.66081414 -14.35684903
-0.00011530 0.00052266 -0.00088914
0.01256522 -0.00012895 0.00023581
-9.84843998 -0.83048538 14.28208011
0.00014787 0.00037340 0.00064013
-0.00480682 -0.00430501 0.00840314
-9.56715587 -2.41575477 11.79758451
0.00113579 0.00036960 -0.00064751
-0.00702136 -0.01527380 -0.00335959
-2.79867783 -26.35364547 12.03850714
-0.00034080 -0.00004681 0.00028939
-0.02310823 -0.00986271 0.02196563
-3.22062085 -25.83315674 9.00169791
-0.00001130 0.00016262 0.00000035
-0.00223691 -0.00102252 0.01426181
-14.59373545 -2.68824752 -6.23489969
-0.00018083 0.00078090 -0.00014673
-0.00329575 -0.01631876 -0.00152410
-16.28971539 -3.39638799 -8.41694853
0.00048035 -0.00030935 -0.00063569
0.00756067 -0.01311852 0.00484677
-18.87907126 -9.21997783 -18.73519712
-0.00056806 0.00105887 -0.00079386
0.00336190 -0.03376795 0.00231942
-18.24991657 -12.32650782 -18.77620100
-0.00048197 -0.00034171 0.00018401
0.01495104 0.00637319 -0.01118697
22.54210683 5.99821050 3.43088555
0.00041404 -0.00087424 0.00040012
-0.01080105 -0.01703224 0.01117622
20.41894349 6.65216093 5.24092364
-0.00083191 -0.00001519 0.00098486
0.00877995 -0.02434199 -0.00316146
18.01937610 -10.94653161 -11.83423092
0.00059884 0.00063882 -0.00008954
0.01796911 -0.01843810 -0.04742116
18.23174302 -10.76000611 -14.89381829
0.00052408 0.00020361 0.00081853
0.00571865 -0.00551958 0.01567060
-2.39610120 1.36171087 -7.38416578
0.00075705 -0.00080849 0.00078135
0.01684460 0.00139800 -0.00406370
-4.60518606 0.28635814 -6.12106404
-0.00027075 0.00056254 -0.00005783
-0.00920166 -0.00733884 0.00283403
-2.83414852 -4.45242004 -18.09674931
0.00021604 -0.00022294 -0.00107412
0.01072810 -0.01652620 -0.00907180
-3.64967594 -1.67964766 -18.61734162
0.00012295 -0.00029017 -0.00002377
-0.00380148 -0.01049351 0.01271805
13.68309187 17.28853505 -19.68824956
0.00079103 0.00070149 -0.00080869
0.00060638 -0.00395162 -0.01215503
12.70382804 15.67785817 -22.00489268
0.00033276 0.00008137 -0.00052081
0.00116716 0.00688495 0.01332538
-13.67991423 17.22141324 -11.78626742
-0.00085531 -0.00012371 -0.00025118
0.00863599 0.00040541 0.01220938
-14.65061508 15.61125932 -14.01329607
-0.00014612 -0.00055082 -0.00093515
-0.00156384 0.02116471 0.00158241
1.48628410 15.75056425 6.53055097
0.00080889 0.00014384 -0.00039286
0.01648922 -0.00399250 -0.02163171
0.12001990 15.96838270 8.80471791
0.00056971 -0.00068906 -0.00063948
0.00964374 -0.01383950 0.01791476
-5.78603235 -8.44815729 2.96559749
0.00110727 0.00118895 -0.00114902
-0.00470647 0.00868353 -0.01418105
-3.28385940 -10.08104375 2.92292402
0.00107363 -0.00119285 0.00054791
0.00937137 -0.00527322 -0.02149861
1.62981690 -3.65367670 2.98475791
-0.00085094 -0.00052009 -0.00020760
-0.02056961 0.04203368 0.03732228
3.05945782 -4.54754452 1.06716416
0.00040027 0.00138016 -0.00053431
0.04247194 0.00399307 -0.05279804
8.31661964 7.84783450 3.43001708
-0.00025283 0.00017738 0.00028878
0.03389405 -0.02094497 0.02690020
11.31339079 8.01952387 4.17640890
-0.00017378 -0.00011260 -0.00095521
-0.01797920 -0.01126123 0.00305419
-8.02217248 -11.35664940 -2.41492261
0.00066301 0.00096045 0.00025101
0.02799289 -0.03239627 -0.00152031
-10.18348150 -9.91420995 -1.26560146
-0.00063442 -0.00023030 0.00042152
-0.00221825 0.00588012 -0.01112489
5.31359604 -15.39791597 -12.58769051
-0.00032368 -0.00034159 0.00033736
0.00441343 -0.01873142 0.00552591
2.65955564 -16.94758422 -11.99249897
0.00057096 0.00115995 0.00004074
0.03007381 0.02931988 -0.01189874
4.82059487 -5.05300288 -4.79225196
0.00009196 0.00018902 0.00094185
0.01818351 0.00137847 -0.00739203
4.86414618 -6.84862365 -2.38766204
0.00136847 -0.00020106 0.00020544
-0.00941046 0.02056702 -0.02216771
16.81482046 2.61329762 24.08578042
0.00002476 -0.00013269 -0.00009971
-0.00544001 -0.00299411 0.00418774
19.33339239 3.19570518 25.59177338
0.00050708 -0.00048998 0.00038434
-0.00493623 -0.01091034 -0.01325039
-9.59584036 1.04552591 1.41056508
0.00009418 -0.00033341 0.00012424
-0.00964599 0.00764727 0.00721623
-9.81274378 3.86067461 2.49018281
-0.00050913 -0.00110198 0.00069352
-0.00853764 -0.00342682 0.00135048
-5.11303369 13.74330890 -8.80293643
0.00054953 -0.00094323 0.00046035
-0.00665615 0.00940986 0.00301493
-7.73300943 12.44159502 -8.89921381
0.00058834 -0.00016174 0.00016063
-0.02263421 -0.00610580 0.01317502
0.76747057 11.82395228 -6.78974343
0.00137356 -0.00021009 0.00103200
-0.00519349 0.00420613 0.00976983
1.94697852 14.57264195 -6.49239423
-0.00053254 -0.00011679 0.00070970
0.00431846 0.01164210 0.02945139
-10.47544127 8.33710740 -12.85779698
-0.00051102 -0.00117038 -0.00024488
0.00336856 0.00782664 -0.00549095
-12.03279661 9.91563704 -11.13712655
0.00049690 -0.00023234 0.00030732
-0.00327255 0.00672992 0.00701768
7.48874359 5.12205812 13.04101970
0.00084715 0.00034211 0.00096371
0.01237474 -0.00898136 0.00622236
9.75719616 3.84207456 14.55875482
0.00004331 0.00010828 0.00005053
-0.00286337 0.00831186 -0.01543105
-14.13312242 10.30749058 -7.36449993
0.00001285 0.00068038 0.00122581
0.01711538 0.01716645 0.00089217
-16.90499955 10.88673089 -7.97825959
-0.00002448 -0.00037019 0.00005200
0.00192970 -0.00182124 -0.00050496
9.03030102 9.40773280 -2.32653748
0.00052229 -0.00007382 0.00066111
0.01040582 0.03042369 0.01989074
7.88501937 8.25269302 -4.58033068
0.00019785 -0.00060469 0.00036990
0.01101421 -0.02189781 0.02313636
14.48406645 -18.96383222 -27.54632069
-0.00002027 -0.00045898 0.00036239
-0.00683108 -0.02063755 0.01405826
13.42079308 -20.39349878 -25.16160591
-0.00050044 0.00005047 0.00041594
-0.00123347 0.00921811 0.01264189
5.34300062 5.28101411 2.18832764
-0.00099909 -0.00015998 0.00005746
-0.01075757 0.02735719 -0.00635045
5.98918023 6.91608313 -0.09584881
-0.00086033 0.00018552 0.00026611
-0.02136822 0.01186056 0.02407513
19.62969638 -6.90976998 -6.77409683
0.00064890 0.00145648 0.00002737
0.02094097 -0.00913729 0.01082000
17.45852753 -5.05648326 -6.11055651
-0.00036535 0.00019880 0.00075247
0.00439982 -0.00748155 -0.01805628
-2.64349761 -0.78575910 -1.00700455
-0.00027307 0.00051821 0.00023410
-0.00397494 0.00486631 0.01563590
-2.09381555 -1.20055755 -3.70803702
-0.00026612 -0.00001599 -0.00107256
0.00637816 -0.00879378 -0.00650199
3.89991070 -3.39765785 -12.08173402
0.00019283 0.00024711 -0.00038273
0.02587692 -0.03290311 -0.00516062
1.07581502 -2.74192415 -11.72991615
-0.00045054 -0.00019785 -0.00021824
0.00617373 0.00511066 0.00088233
19.58422513 8.24324760 -7.77842639
0.00029289 0.00016045 -0.00066498
0.00277575 0.01290227 0.01566160
20.89059993 8.43844682 -5.10350057
0.00038142 -0.00058775 0.00043269
-0.02148428 0.01388929 -0.02297650
-7.03751318 3.99514992 9.29505598
-0.00005676 0.00075441 -0.00098088
-0.01126792 0.03478274 -0.01272613
-7.65809041 6.63509226 10.61638178
0.00086832 0.00023732 -0.00050686
0.00189026 0.00197564 0.00940306
-2.41030292 -17.78597341 11.51610083
0.00068837 -0.00007436 0.00061914
0.00205720 0.00718699 -0.00588796
-2.83339087 -15.22399995 10.14794049
0.00025457 -0.00047270 -0.00043711
-0.01030807 0.00483663 -0.01004442
8.42093359 -0.63184521 -2.92642616
-0.00060613 -0.00045279 -0.00084291
0.02956881 0.00117450 0.04544741
7.67616873 1.18684276 -5.27545141
-0.00080790 0.00063321 -0.00062085
0.00595348 -0.00417458 0.00794961
0.41336546 -11.81494601 1.86247522
0.00008567 -0.00024252 0.00032998
-0.00113874 0.00625874 -0.00517879
-0.92343451 -10.52506623 -0.41425166
0.00018833 -0.00008701 -0.00021736
0.00034962 0.00480268 0.00442085
-19.73863643 -1.62921337 6.86517656
0.00015665 -0.00002807 -0.00027728
0.00831155 -0.00706673 0.03164074
-21.13848947 0.51613741 5.60698316
-0.00097607 0.00045057 0.00110065
0.00133909 -0.00085298 -0.00144592
-4.99537243 8.26610150 -26.18936618
0.00043433 -0.00012750 -0.00104240
0.03223745 0.00243288 -0.00118069
-5.77194553 7.24625549 -23.26835204
0.00115801 0.00013563 0.00020572
0.01079500 0.01024169 -0.02681700
4.29629587 1.59289909 -2.66496175
0.00046968 0.00075035 -0.00002280
-0.01118045 -0.01333210 0.00568238
1.76968492 0.40765783 -1.46899594
0.00061441 -0.00059594 0.00070897
-0.00501294 -0.02474481 -0.00612571
14.86845869 7.38789543 5.66397438
-0.00028286 -0.00019573 -0.00004076
0.00564858 -0.01038396 0.03031229
15.79186805 9.77925816 4.27019678
-0.00086531 -0.00067698 -0.00088407
0.01144117 0.02009551 0.00535834
1.47463852 -11.77510852 -13.82345847
0.00011555 -0.00001082 -0.00017509
0.00111187 0.00443747 0.00309007
-13.56294529 14.56844950 22.68340021
0.00000230 0.00015301 0.00015169
-0.00038731 -0.00374846 0.00263740
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02491134
0.35297972
470.32777400
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3585923869 (a.u.)
total exchange computation time: 2.5481610298 s
-154.0979839895
-931.37870647
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3579931761 (a.u.)
total exchange computation time: 2.5449190140 s
-154.1042094970
Anderson extrapolation: theta=1.3959837273 (1.3959837273)
-931.37895874
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3570575822 (a.u.)
total exchange computation time: 2.5449950695 s
-154.1135227100
Anderson extrapolation: theta=0.0706155100 (0.0706155100)
-931.37912164
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3569176201 (a.u.)
total exchange computation time: 2.5489950180 s
-154.1146687288
Anderson extrapolation: theta=2.3047372095 (2.0000000000)
-931.37913154
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3566248607 (a.u.)
total exchange computation time: 2.5450549126 s
-154.1169356288
Anderson extrapolation: theta=0.3940154119 (0.3940154119)
-931.37914487
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3565228605 (a.u.)
total exchange computation time: 2.5442531109 s
-154.1176124223
Anderson extrapolation: theta=1.0129786189 (1.0129786189)
-931.37914863
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3564517922 (a.u.)
total exchange computation time: 2.5476560593 s
-154.1179607663
Anderson extrapolation: theta=0.5092408271 (0.5092408271)
-931.37915145
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3564475352 (a.u.)
total exchange computation time: 2.5453310013 s
-154.1178310828
Anderson extrapolation: theta=0.7779793999 (0.7779793999)
-931.37915250
-23.433490 -171.663495 -244.412234
-138.394084 458.524128 -804.273461
-161.827573 286.860633 -1048.685695
1099.190099
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3564674005 (a.u.)
total exchange computation time: 2.5458920002 s
678.69253690
-1083.70101736
89.74450032
-389.01520610
-174.74349937
78.25063894
551.60419304
0.00000000
-931.37915301
-9.25881516 -5.40878196 9.61388251
0.00008824 0.00019073 0.00030364
0.02925481 -0.01745890 0.03343017
-13.86445534 5.08322197 9.04675615
0.00008421 -0.00017439 -0.00020963
0.00775157 -0.00738220 -0.01077574
-15.78046803 1.61237003 2.96770843
-0.00010542 -0.00018238 -0.00003690
0.00316509 0.01395522 0.01612525
2.45936639 -19.68390004 13.22885855
-0.00007102 0.00005213 0.00020645
0.00855441 -0.01051931 0.00953338
9.58775735 20.81388169 0.53451537
0.00047297 0.00013871 -0.00015364
0.00879000 -0.04674468 -0.00241122
-11.10150432 12.73340668 15.15570532
-0.00013878 0.00017660 0.00018062
-0.00201559 -0.00419722 -0.00613149
-6.03112844 1.16289795 -13.00966542
-0.00000990 0.00010571 0.00008249
0.01499374 0.02013351 -0.03419544
-9.02669283 6.54144858 -6.87811897
0.00031682 0.00034825 0.00003290
-0.00913817 0.00175549 0.01514943
-7.61248863 -3.69147941 18.06201419
0.00026058 0.00002062 -0.00014592
0.00132289 -0.05918124 -0.01387444
-23.27327657 -7.54522442 -23.39648797
-0.00030523 -0.00022710 -0.00022161
-0.01760768 0.03955970 -0.00400267
8.19877721 12.93345785 6.53352763
0.00060892 0.00014313 0.00025333
0.00163196 0.01165436 -0.04108633
23.33875567 29.11238341 -3.29588561
-0.00037767 -0.00044843 0.00033424
-0.00371216 -0.02473939 0.01506237
9.21635536 -0.15648879 -14.62437824
0.00052144 0.00027570 0.00007806
-0.02304323 0.00781954 -0.00603692
-8.95719352 -1.01302757 12.72965249
-0.00035944 -0.00032008 -0.00036382
0.01522979 0.02306694 0.00586441
-2.09313974 -25.94558205 10.44968605
-0.00018107 0.00004368 0.00019115
0.02692465 0.01068437 -0.04398395
-15.15567309 -4.22712523 -7.21573646
-0.00018722 0.00029424 0.00002757
-0.00346224 0.01817944 -0.01295104
-19.38681424 -10.98791924 -18.29703336
0.00002617 -0.00013539 0.00005554
-0.01648489 0.03231802 0.00865331
21.40051664 5.16546265 4.66483509
-0.00042811 0.00050138 -0.00008267
0.00220294 0.04208086 -0.00164363
19.00477204 -11.66728010 -13.44247219
0.00078908 0.00009334 0.00022375
-0.02522301 0.02447434 0.03009892
-2.94771303 -0.21720117 -6.67165829
-0.00040284 -0.00026823 0.00021505
-0.00875657 0.00746679 0.00017337
-3.93524783 -3.17980113 -17.52322089
0.00026307 0.00005912 -0.00009122
-0.00780660 0.02720269 0.00042605
14.21220550 16.43914164 -21.23273169
-0.00015787 -0.00000204 -0.00001848
0.00642525 -0.00514760 -0.00144533
-14.74175947 17.36696118 -13.22768203
0.00040097 0.00058985 -0.00009814
-0.01705368 -0.02363096 -0.02252383
1.62041619 15.05434485 8.17766989
-0.00041803 0.00016526 -0.00038503
-0.01984646 0.00783082 0.00287507
-4.52666825 -9.28294424 3.95554512
0.00018165 0.00017941 0.00002190
-0.00100131 -0.00542627 0.02466548
2.12377687 -5.21372872 2.36265116
-0.00008535 -0.00005623 0.00002144
-0.00671291 -0.04156790 0.00821403
9.71013236 7.06832864 4.53672756
-0.00013923 0.00016045 -0.00015574
-0.01029208 0.03108559 -0.03521038
-9.19600681 -10.09167381 -2.81893357
-0.00014164 -0.00039532 0.00009826
-0.02536958 0.02810617 0.03053997
3.55505372 -15.58979600 -13.00696193
-0.00018210 -0.00016699 -0.00022132
-0.04133839 -0.00392193 0.00341062
3.78859691 -5.70541505 -3.44513464
-0.00014489 0.00010597 0.00032282
-0.00239980 -0.02752358 0.03810137
18.42951058 1.90093911 24.56770330
-0.00011873 0.00023111 -0.00007940
0.01245026 -0.00257445 0.00434768
-8.80617206 2.69773340 1.52249492
-0.00007656 -0.00023889 0.00001069
0.00911407 -0.00494838 -0.01206567
-6.27072296 12.80739658 -9.87395640
0.00054958 -0.00027212 0.00018447
0.01697243 -0.00377425 -0.02526252
1.63621831 13.20694268 -7.58391237
-0.00003750 0.00016089 -0.00017200
0.00174416 -0.01897490 -0.03414748
-10.87211901 10.11081259 -12.52158927
-0.00038896 0.00008305 0.00000744
-0.00074068 -0.02219831 -0.00324645
7.96360100 4.17085873 14.55140522
-0.00035419 -0.00032679 0.00003381
-0.00172469 -0.01185143 0.01638563
-15.58488591 9.62172888 -8.15891945
0.00024269 0.00038053 0.00045624
-0.01157761 -0.00728032 -0.00348715
8.84308778 7.78690112 -3.00780645
-0.00040179 0.00000026 -0.00028221
-0.02490420 -0.01275499 -0.03207001
14.16145348 -20.67110183 -26.78270019
0.00008517 -0.00010767 0.00004295
0.00642754 0.01939542 -0.01840759
4.97893628 7.04791954 1.53701053
0.00023366 -0.00037405 0.00026438
0.03258527 -0.03987656 -0.01477168
18.40303514 -5.85832739 -7.54825532
-0.00032807 -0.00002054 -0.00023728
-0.02268938 0.02071681 0.02426824
-1.86533804 -2.02918292 -2.06595474
-0.00011809 -0.00031903 -0.00000852
-0.00011373 0.01151904 -0.00229592
2.78114477 -2.03665197 -12.02709168
0.00001701 -0.00012625 -0.00003444
-0.03103483 0.02671736 0.00795159
19.59747577 9.36103194 -6.24770945
0.00010652 -0.00008815 0.00021283
0.02666981 -0.03805420 0.00710018
-7.49453195 5.87503398 8.98015368
-0.00021814 -0.00050010 -0.00030877
0.00739972 -0.02701705 -0.00286078
-1.87188700 -16.04011970 11.44388680
0.00018802 -0.00017946 -0.00016072
0.00540835 -0.00650317 0.01539684
7.55022750 -0.45993780 -4.44100286
0.00017045 -0.00012498 -0.00044133
-0.03481195 0.02572456 -0.05401044
-0.95029866 -12.06245410 0.61955390
-0.00017317 -0.00021388 0.00006977
0.00072597 -0.01113510 0.00700135
-19.95844704 -0.83363579 5.27134979
0.00010214 0.00038874 0.00005752
-0.01622810 0.02145678 -0.03397968
-6.25394150 7.80634063 -24.98540541
-0.00057203 0.00024036 -0.00044217
-0.02746818 -0.00783370 0.03772186
2.71034152 1.88647578 -1.77923374
-0.00055032 0.00013765 -0.00012601
0.01415654 0.03367674 -0.00399225
14.84309471 8.27272376 4.11589288
-0.00016540 0.00007224 0.00012316
-0.02543231 -0.02007158 -0.03384139
-8.26180658 -6.77407967 10.54485849
-0.00048454 -0.00012746 -0.00112787
-0.01468982 0.02414185 -0.01627847
-10.00569659 -6.29753242 8.25692483
-0.00009544 0.00037028 0.00011539
-0.01011669 -0.00885312 -0.01410347
-13.19934501 6.16382719 7.70836544
0.00045235 -0.00012534 -0.00007467
-0.00232430 0.00056038 -0.00151095
-13.90486122 3.45352431 8.14925125
-0.00009127 0.00015327 -0.00007905
0.00240239 0.00542436 0.01960345
-15.04769215 1.79916460 4.67062716
-0.00010765 -0.00039138 -0.00052033
0.00116079 -0.00648262 -0.01644962
-17.33882967 0.74158959 3.34593519
0.00098244 0.00059432 0.00035769
-0.00968355 -0.00329409 0.00336090
3.24137077 -21.25924678 12.52327092
-0.00076932 -0.00140696 -0.00065439
-0.01168111 0.02320537 0.01754017
3.04812865 -19.30010577 14.97408914
0.00025341 0.00035375 0.00153991
-0.00360973 -0.01206856 -0.03251590
9.27751689 18.99790721 1.05420725
-0.00067752 -0.00047178 -0.00099819
0.00976324 0.02512708 -0.01691541
8.15817263 21.62362582 1.28694785
0.00078233 -0.00008242 0.00024764
-0.01115082 0.02089179 0.01314137
-10.47931312 12.75360149 16.91511119
-0.00054572 -0.00107710 -0.00033960
0.00375220 -0.00832486 -0.00235263
-11.81768150 14.37830400 14.99875448
0.00114788 -0.00040402 0.00119449
-0.00793600 0.01235260 -0.00798216
-5.81169811 -0.05789524 -14.33800596
-0.00061161 -0.00025781 0.00054651
0.00157913 0.00092523 -0.00214874
-6.31245569 0.28237772 -11.51317436
-0.00035266 -0.00121041 0.00003193
-0.01412364 -0.02351709 0.03580861
-8.42492931 8.17874648 -6.28706057
0.00039752 0.00029645 -0.00025076
0.00045803 -0.00937800 -0.00702387
-10.07845499 6.11877022 -5.39971519
0.00035218 0.00019729 0.00082607
0.00361077 0.00748700 -0.01290159
-7.49109477 -1.96818539 18.11887782
-0.00027551 0.00013418 -0.00001464
0.00256201 0.05771326 -0.00150675
-7.53441492 -4.23553560 19.78383300
0.00072951 -0.00015208 0.00075699
0.00034220 -0.00519282 0.01357091
-24.76411313 -6.45437417 -23.19994508
0.00030202 0.00026164 -0.00014304
0.00059842 -0.01864485 -0.00470593
-22.09499500 -6.12987312 -23.22953566
0.00073536 -0.00022161 -0.00052520
0.00897625 -0.01713178 -0.00453493
8.80188856 12.97009538 4.69999248
-0.00027338 0.00052059 -0.00068576
-0.01408093 0.00159674 0.03765975
9.11469616 11.65721255 7.45080180
-0.00060581 0.00103091 -0.00001006
0.01279976 -0.00888167 0.00306853
23.29555824 27.39941047 -2.44240508
0.00153612 -0.00079211 0.00027630
0.00491769 0.02757277 -0.01838394
23.21520570 30.29917011 -1.89528841
-0.00021789 0.00004344 0.00039219
-0.00340183 -0.00267164 0.00171077
10.92400842 -0.70807859 -14.54736309
-0.00084904 -0.00032017 0.00004537
0.00892973 -0.00402718 0.00244681
8.14146637 -1.65297818 -14.37017893
-0.00006391 0.00052258 -0.00088735
0.01259158 0.00009037 0.00064138
-9.84636923 -0.82501623 14.29193956
0.00013331 0.00035216 0.00066240
-0.00232106 -0.00609423 0.00249926
-9.55033417 -2.41067880 11.78776895
0.00109984 0.00029473 -0.00066649
-0.01057820 -0.02137472 -0.00593148
-2.80449799 -26.35464978 12.04352115
-0.00043404 -0.00008634 0.00037593
-0.02252978 -0.00949141 0.02039231
-3.22085891 -25.83074882 9.00214012
-0.00002002 0.00015821 0.00005917
-0.00202978 -0.00113282 0.01453266
-14.59654883 -2.67703408 -6.23714741
-0.00019540 0.00071185 -0.00015474
-0.00383797 -0.01748378 -0.00239594
-16.28227845 -3.40143029 -8.42633534
0.00050875 -0.00036107 -0.00061767
0.00634193 -0.01219914 0.00397151
-18.88748918 -9.20512956 -18.74703393
-0.00055673 0.00090799 -0.00078145
0.00218662 -0.04008877 0.00375475
-18.25668797 -12.33143824 -18.77378368
-0.00041813 -0.00031707 0.00013672
0.01629735 0.00568832 -0.01195884
22.54798648 5.98457494 3.43722977
0.00037069 -0.00093815 0.00044332
-0.01042021 -0.01425077 0.00997239
20.40673394 6.65118722 5.25559967
-0.00079282 -0.00011444 0.00096836
0.01035194 -0.02424242 -0.00491400
18.02890930 -10.93751429 -11.83702722
0.00067267 0.00056216 -0.00028105
0.01816984 -0.01908865 -0.04632447
18.23977942 -10.75712103 -14.88106011
0.00054627 0.00018246 0.00087760
0.00514362 -0.00483413 0.01324463
-2.38422927 1.34962637 -7.37257010
0.00082762 -0.00079827 0.00076268
0.01769864 0.00360238 -0.00507604
-4.60952927 0.29457142 -6.12184468
-0.00030773 0.00053243 -0.00004655
-0.00890105 -0.00740396 0.00268856
-2.83057912 -4.45627062 -18.11313914
0.00025352 -0.00028407 -0.00110763
0.00761706 -0.01339487 -0.00733172
-3.64794820 -1.68432178 -18.61730838
0.00010775 -0.00032882 0.00002569
-0.00363645 -0.00842739 0.01148876
13.69497593 17.29893631 -19.70075231
0.00078926 0.00068903 -0.00085075
-0.00147432 -0.00214991 -0.00843484
12.70885519 15.67928971 -22.01229645
0.00033482 0.00010896 -0.00046615
-0.00015918 0.00661830 0.01342881
-13.69247925 17.21956999 -11.78966105
-0.00081180 -0.00012330 -0.00018999
0.01266211 -0.00020590 0.01774517
-14.65285476 15.60364551 -14.02727477
-0.00015197 -0.00045293 -0.00092278
-0.00130085 0.02675687 0.00446956
1.49892275 15.75259946 6.52399526
0.00087538 0.00012831 -0.00048071
0.01605728 -0.00360997 -0.02137351
0.12886110 15.95762273 8.79567466
0.00059516 -0.00073693 -0.00056175
0.00281435 -0.00959190 0.02013422
-5.76956746 -8.43005699 2.94792769
0.00109399 0.00121986 -0.00120268
-0.00179786 0.00644959 -0.01208863
-3.26746783 -10.09909802 2.93048388
0.00110074 -0.00120722 0.00046813
0.00390104 -0.00176317 -0.01755453
1.61642253 -3.66019001 2.98278755
-0.00093681 -0.00034551 -0.00005386
-0.02146417 0.04342458 0.03793465
3.06676340 -4.52671969 1.05753168
0.00055825 0.00138648 -0.00072820
0.03485898 -0.00090105 -0.04211430
8.31386577 7.84985338 3.43517310
-0.00011610 0.00009227 0.00039702
0.03303730 -0.02071512 0.02608529
11.31023319 8.01748980 4.16217429
-0.00024647 -0.00015831 -0.00094195
-0.01760187 -0.01111600 0.00343938
-8.01136959 -11.34323541 -2.41120407
0.00078121 0.00082429 0.00024705
0.02986817 -0.03425105 -0.00041690
-10.19306573 -9.91748430 -1.25961959
-0.00063841 -0.00020775 0.00036984
0.00026363 0.00516134 -0.01416972
5.30887614 -15.40361374 -12.58246072
-0.00030479 -0.00041672 0.00035900
0.00483152 -0.01804628 0.00506477
2.66904154 -16.92928646 -11.99225256
0.00068564 0.00126913 -0.00000153
0.02606479 0.02412134 -0.00879065
4.82253145 -5.05012533 -4.77835072
0.00016752 0.00019751 0.00090662
0.01880239 0.00277854 -0.00985496
4.88438483 -6.85100930 -2.38525977
0.00132212 -0.00011125 0.00011056
-0.01327603 0.02339514 -0.02427588
16.81502524 2.61121547 24.08441302
-0.00000003 -0.00014213 -0.00008270
-0.00669964 -0.00162574 0.00414071
19.34084733 3.18802108 25.59713251
0.00048491 -0.00053338 0.00032931
-0.00591397 -0.01033133 -0.01369041
-9.59472326 1.04075906 1.41264984
0.00005558 -0.00030290 0.00015317
-0.00925074 0.00728921 0.00694541
-9.82064231 3.84403987 2.50062697
-0.00054264 -0.00111561 0.00069835
-0.00786636 -0.00324425 0.00101601
-5.10499470 13.72944879 -8.79593883
0.00052411 -0.00090332 0.00047378
-0.00578600 0.01012433 0.00356228
-7.72487789 12.43898176 -8.89640063
0.00049575 -0.00018683 0.00021395
-0.02268819 -0.00617433 0.01292456
0.78791479 11.82092980 -6.77396409
0.00135311 -0.00019218 0.00106936
-0.00481760 0.00456261 0.00852110
1.93912275 14.57124682 -6.48084625
-0.00051399 -0.00007111 0.00082654
0.00476354 0.01071768 0.02774369
-10.48300334 8.31979146 -12.86163845
-0.00050061 -0.00112182 -0.00026428
0.00172683 0.01594531 -0.00400344
-12.02544336 9.91235811 -11.13230165
0.00048030 -0.00020486 0.00033980
-0.00485223 0.00672365 0.00887865
7.50182999 5.12691452 13.05566606
0.00089269 0.00031123 0.00098001
0.00991963 -0.00613417 0.00175739
9.75775810 3.84395339 14.55903992
0.00002719 0.00014252 -0.00001094
-0.00502838 0.00844977 -0.01466082
-14.13240517 10.31822237 -7.34608537
0.00007808 0.00074886 0.00122681
0.01481249 0.01635313 -0.00040713
-16.90530758 10.88112225 -7.97749512
-0.00002001 -0.00037355 0.00005066
0.00025630 0.00017664 -0.00015061
9.03845423 9.40755782 -2.31601136
0.00056308 0.00004173 0.00073695
0.00956182 0.02613883 0.01723639
7.88832458 8.24295170 -4.57407323
0.00023697 -0.00068906 0.00045530
0.00813813 -0.01940459 0.01866882
14.48355313 -18.97134935 -27.54045410
-0.00004692 -0.00053775 0.00041704
-0.00621412 -0.01792122 0.01269522
13.41324871 -20.39245924 -25.15497935
-0.00050120 0.00008621 0.00045833
0.00085923 0.00827602 0.00810431
5.32768461 5.27945277 2.18899493
-0.00104012 -0.00005281 0.00003246
-0.00932807 0.02510383 -0.00588854
5.97562042 6.91922933 -0.09111942
-0.00094313 0.00023209 0.00035951
-0.01916252 0.01093654 0.02164518
19.64007158 -6.88820275 -6.77335472
0.00073537 0.00141865 0.00007103
0.02138433 -0.00938190 0.01055379
17.45318216 -5.05373054 -6.09982280
-0.00034370 0.00016487 0.00067096
0.00619831 -0.00912701 -0.02184397
-2.64771549 -0.77783679 -1.00301393
-0.00028357 0.00052940 0.00028936
-0.00116577 0.00060789 0.01141376
-2.09761192 -1.20106687 -3.72432464
-0.00023893 -0.00005744 -0.00108618
0.00693391 -0.01149728 -0.00016736
3.90359611 -3.39495952 -12.08763317
0.00029939 0.00011121 -0.00040363
0.02628305 -0.03361734 -0.00506728
1.06924615 -2.74473532 -11.73316276
-0.00042071 -0.00017594 -0.00021528
0.00842552 0.00561528 0.00056935
19.58870356 8.24604977 -7.78792112
0.00030449 0.00021612 -0.00059537
0.00290080 0.01434946 0.01841190
20.89566281 8.43005616 -5.09771431
0.00029087 -0.00052938 0.00033597
-0.02283820 0.01468353 -0.02436884
-7.03870988 4.00753194 9.27995277
-0.00010074 0.00088538 -0.00102882
-0.01025848 0.02932662 -0.01073878
-7.64500772 6.63871265 10.60906698
0.00087644 0.00024434 -0.00046936
0.00208658 0.00145950 0.00895507
-2.39991434 -17.78686859 11.52520743
0.00069544 -0.00004829 0.00059475
0.00140463 0.00557289 -0.00604875
-2.82988824 -15.23094231 10.14107603
0.00021297 -0.00045406 -0.00047702
-0.01005172 0.00429229 -0.00949017
8.41274777 -0.63860107 -2.93767710
-0.00047911 -0.00044793 -0.00064655
0.03260458 0.00120336 0.05066785
7.66423270 1.19621294 -5.28452054
-0.00078328 0.00060789 -0.00058374
0.00609888 -0.00821819 0.01021619
0.41461555 -11.81839203 1.86726621
0.00007781 -0.00021763 0.00030587
-0.00270853 0.00592407 -0.00662325
-0.92059880 -10.52622417 -0.41737656
0.00018921 -0.00007000 -0.00019715
0.00007865 0.00352096 0.00547097
-19.73603206 -1.62985090 6.86198687
0.00019067 -0.00005756 -0.00014746
0.00834267 -0.00737043 0.03190802
-21.15308955 0.52286988 5.62344858
-0.00096105 0.00043666 0.00109169
0.00601418 -0.00595823 -0.00293886
-4.98786966 8.26426358 -26.20503834
0.00055390 -0.00012120 -0.00103778
0.02629566 0.00064966 0.00344235
-5.75424465 7.24860379 -23.26608806
0.00119645 0.00018121 0.00008405
0.00802486 0.01207165 -0.03273687
4.30299853 1.60374584 -2.66512964
0.00041485 0.00069722 0.00000586
-0.01566340 -0.01267734 0.00834590
1.77874739 0.39796047 -1.45854913
0.00059566 -0.00069443 0.00068356
-0.00416517 -0.02346684 -0.00631277
14.86438886 7.38464125 5.66429184
-0.00025920 -0.00023650 0.00008225
0.00593198 -0.00957263 0.02990206
15.77923902 9.76971918 4.25709987
-0.00080843 -0.00057902 -0.00085951
0.01639944 0.02785972 0.00666684
1.47637480 -11.77525887 -13.82607645
0.00011596 -0.00000922 -0.00017397
0.00116445 0.00451595 0.00312655
-13.56291143 14.57073813 22.68568008
0.00000218 0.00015214 0.00015231
-0.00063938 -0.00373189 0.00270955
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02516764
0.35398536
471.66775162
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3533106166 (a.u.)
total exchange computation time: 2.5478630066 s
-154.0716568906
-931.37918108
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3527146652 (a.u.)
total exchange computation time: 2.5453641415 s
-154.0778207330
Anderson extrapolation: theta=1.3543965626 (1.3543965626)
-931.37942404
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3517836771 (a.u.)
total exchange computation time: 2.5467209816 s
-154.0870154982
Anderson extrapolation: theta=0.0536468732 (0.0536468732)
-931.37957078
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 1.150 s
total exchange = -52.3516378029 (a.u.)
total exchange computation time: 2.5515220165 s
-154.0882023454
Anderson extrapolation: theta=1.9681522683 (1.9681522683)
-931.37957658
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3513268554 (a.u.)
total exchange computation time: 2.5446600914 s
-154.0906368803
Anderson extrapolation: theta=0.2221830421 (0.2221830421)
-931.37958287
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3512551708 (a.u.)
total exchange computation time: 2.5451118946 s
-154.0911213429
Anderson extrapolation: theta=1.8620780915 (1.8620780915)
-931.37958410
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3511499768 (a.u.)
total exchange computation time: 2.5469429493 s
-154.0917501101
Anderson extrapolation: theta=0.2836963902 (0.2836963902)
-931.37958562
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3511480125 (a.u.)
total exchange computation time: 2.5470161438 s
-154.0916743555
Anderson extrapolation: theta=1.3320994747 (1.3320994747)
-931.37958600
-23.387076 -171.641433 -244.430469
-138.353253 458.500714 -804.276552
-161.740329 286.859280 -1048.707021
1099.197251
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3511654274 (a.u.)
total exchange computation time: 2.5455379486 s
678.61734406
-1083.52454532
89.74578926
-389.13724511
-174.72976376
78.15049758
551.60419304
0.00000000
-931.37958629
-9.25737865 -5.40598830 9.61856612
0.00010258 0.00018196 0.00031978
0.02648052 -0.01667769 0.02933598
-13.86316230 5.08057768 9.04357008
0.00008821 -0.00017750 -0.00021493
0.00781504 -0.00471286 -0.00983321
-15.78203713 1.60968819 2.96721706
-0.00010210 -0.00017429 -0.00002968
0.00974211 0.01751343 0.01196724
2.45833411 -19.68315865 13.23199203
-0.00006556 0.00004590 0.00021250
0.01267396 -0.01372422 0.01402278
9.59488584 20.81578202 0.53220148
0.00047735 0.00011392 -0.00015486
0.00823592 -0.04967190 -0.00234318
-11.10359386 12.73603947 15.15839093
-0.00013923 0.00017222 0.00017687
0.00028147 -0.01282620 -0.00845391
-6.03121905 1.16456121 -13.00856002
-0.00000247 0.00011496 0.00006673
0.01390408 0.01586185 -0.02707136
-9.02197579 6.54667918 -6.87756707
0.00031141 0.00034863 0.00004133
-0.01190156 -0.00028516 0.01765625
-7.60857477 -3.69139842 18.05977186
0.00026145 -0.00000986 -0.00015120
0.00203060 -0.05933208 -0.00665571
-23.27792294 -7.54847834 -23.39982763
-0.00031308 -0.00020622 -0.00022363
-0.01293282 0.04162164 -0.00384184
8.20791732 12.93564978 6.53716913
0.00060826 0.00015137 0.00023022
-0.00420010 0.02037333 -0.04877702
23.33307637 29.10556154 -3.29081390
-0.00037938 -0.00046083 0.00034240
-0.00296788 -0.02349339 0.01668566
9.22408809 -0.15232314 -14.62323060
0.00050722 0.00028039 0.00007478
-0.03226258 0.01042466 -0.00673323
-8.96252638 -1.01773980 12.72421787
-0.00035144 -0.00030636 -0.00035867
0.01588292 0.03030819 0.01416410
-2.09575196 -25.94488568 10.45238367
-0.00016746 0.00004904 0.00016925
0.02602377 0.01018227 -0.04119972
-15.15849479 -4.22264153 -7.21537287
-0.00018857 0.00030336 0.00002137
-0.00175746 0.01729396 -0.01115228
-19.38648535 -10.98982540 -18.29616692
0.00001765 -0.00011733 0.00005978
-0.01661163 0.03791333 0.00783542
21.39410353 5.17314563 4.66358874
-0.00042749 0.00052201 -0.00008270
0.00019432 0.03817037 0.00152904
19.01651098 -11.66578557 -13.43899984
0.00077629 0.00010572 0.00023945
-0.02454061 0.02366343 0.03094323
-2.95378946 -0.22119578 -6.66843193
-0.00040761 -0.00026486 0.00021543
-0.00976255 0.00563482 0.00131657
-3.93133187 -3.17880932 -17.52458757
0.00025987 0.00007152 -0.00009114
-0.00465073 0.02098567 -0.00010937
14.20986231 16.43909124 -21.23301445
-0.00015357 -0.00000509 -0.00002025
0.01026568 -0.00674774 -0.00544563
-14.73581071 17.37571783 -13.22924108
0.00039124 0.00057657 -0.00011171
-0.02078293 -0.02802023 -0.03022920
1.61406913 15.05685399 8.17190551
-0.00042618 0.00016804 -0.00038441
-0.01181937 0.00296385 -0.00047586
-4.52394737 -9.28027409 3.95596872
0.00018173 0.00017629 0.00003288
0.00133153 -0.00670507 0.01804492
2.12247074 -5.21473248 2.36300443
-0.00008665 -0.00007602 0.00002282
0.00163893 -0.03541036 -0.00283741
9.70800425 7.07085534 4.53425568
-0.00014428 0.00017612 -0.00017351
-0.00933850 0.02985187 -0.03388372
-9.19822932 -10.09749516 -2.81734191
-0.00015546 -0.00038056 0.00011446
-0.02837508 0.02927227 0.03245343
3.55216276 -15.59231592 -13.01026857
-0.00020209 -0.00016765 -0.00022044
-0.03639383 0.00135500 0.00000764
3.78641426 -5.70393170 -3.44014542
-0.00014535 0.00009098 0.00034319
0.00062198 -0.03077159 0.04113448
18.42777768 1.90439582 24.56652904
-0.00011184 0.00022931 -0.00007712
0.01435193 -0.00441090 0.00450722
-8.80728529 2.69413100 1.52260879
-0.00007219 -0.00024134 0.00000467
0.00787961 -0.00460440 -0.01134677
-6.26241376 12.80330023 -9.87128680
0.00055789 -0.00027435 0.00017154
0.01531599 -0.00488356 -0.02502892
1.63566251 13.20928283 -7.58662415
-0.00003675 0.00015162 -0.00018842
0.00117243 -0.01707236 -0.02967653
-10.87795627 10.11197278 -12.52149013
-0.00038855 0.00006978 0.00000507
0.00234778 -0.02943535 -0.00600036
7.95828155 4.16591110 14.55197551
-0.00035391 -0.00033366 0.00004323
0.00281403 -0.01482938 0.02025662
-15.58129023 9.62740879 -8.15208929
0.00023789 0.00037654 0.00045469
-0.00707392 -0.00825515 -0.00255079
8.83696483 7.78685586 -3.01216332
-0.00041340 -0.00000564 -0.00029648
-0.02021592 -0.01018929 -0.02340022
14.16275589 -20.67264212 -26.78212699
0.00008769 -0.00009830 0.00003512
0.00337185 0.01705768 -0.01203562
4.98256689 7.04215498 1.54091929
0.00024933 -0.00039348 0.00025743
0.02833484 -0.03567695 -0.01225475
18.39802661 -5.85855551 -7.55172093
-0.00033999 -0.00000962 -0.00022377
-0.02368051 0.02171247 0.02827657
-1.86710990 -2.03392388 -2.06609143
-0.00011896 -0.00031140 -0.00001012
-0.00326870 0.01813103 -0.00391758
2.78128014 -2.03844261 -12.02757762
0.00000071 -0.00011278 -0.00003028
-0.03233819 0.02566701 0.00821513
19.59917647 9.35956294 -6.24448964
0.00012039 -0.00010821 0.00021618
0.02727262 -0.03995935 0.00591631
-7.49777545 5.86742821 8.97551114
-0.00021479 -0.00051199 -0.00031049
0.00562424 -0.01918860 -0.00382410
-1.86904590 -16.04283668 11.44153535
0.00019084 -0.00018210 -0.00015300
0.00558017 -0.00376308 0.01465269
7.55264992 -0.46171326 -4.44783111
0.00015212 -0.00011073 -0.00047029
-0.03644074 0.02967559 -0.05863108
-0.95289337 -12.06570531 0.62062752
-0.00017237 -0.00021911 0.00007349
0.00237653 -0.00920627 0.00743090
-19.95697748 -0.82772200 5.27208145
0.00009273 0.00040086 0.00004065
-0.02037774 0.02567325 -0.03161155
-6.26262787 7.80991578 -24.99189250
-0.00058374 0.00023640 -0.00042275
-0.01809307 -0.00754942 0.03781961
2.70214133 1.88867049 -1.78113931
-0.00054236 0.00015429 -0.00012859
0.01678243 0.03100169 -0.00602860
14.84051562 8.27372989 4.11760975
-0.00017967 0.00005981 0.00010587
-0.03005610 -0.02825526 -0.03340526
-8.26952478 -6.77525179 10.52744166
-0.00053935 -0.00003318 -0.00118801
-0.01214054 0.02200924 -0.01316200
-10.00743821 -6.29224949 8.25822352
-0.00013632 0.00033710 0.00005942
-0.00989495 -0.00739088 -0.01329640
-13.19263098 6.16196421 7.70719912
0.00044208 -0.00012376 -0.00008015
-0.00270277 0.00021272 -0.00117060
-13.90615661 3.45598953 8.14866622
-0.00008138 0.00017097 -0.00000149
0.00243480 0.00324028 0.01835989
-15.04927135 1.79309529 4.66231810
-0.00009892 -0.00041597 -0.00058139
0.00311309 -0.00555592 -0.01343704
-17.32438978 0.75040348 3.35140355
0.00092560 0.00057145 0.00037377
-0.01814061 -0.00790381 0.00450951
3.22947306 -21.27964012 12.51399251
-0.00082103 -0.00130120 -0.00057647
-0.01363049 0.02856323 0.02060149
3.05181915 -19.29516929 14.99619137
0.00023400 0.00029946 0.00139127
-0.00589106 -0.01450799 -0.04024227
9.26765329 18.99160043 1.03871610
-0.00063544 -0.00036480 -0.00106787
0.01083394 0.02724055 -0.01719616
8.16956587 21.62302975 1.29106512
0.00073521 0.00000426 0.00030179
-0.01191438 0.02153910 0.01336686
-10.48738396 12.73718986 16.90994507
-0.00052717 -0.00111117 -0.00034193
0.00532940 -0.00835179 0.00121174
-11.80070651 14.37262229 15.01642731
0.00110776 -0.00033549 0.00115948
-0.01170125 0.02118948 -0.00915664
-5.82082393 -0.06173407 -14.32987420
-0.00060443 -0.00025494 0.00053399
0.00193963 0.00048194 -0.00398015
-6.31817833 0.26350096 -11.51159809
-0.00040854 -0.00129706 0.00016713
-0.01323111 -0.01890011 0.03037207
-8.41895240 8.18290580 -6.29103722
0.00039973 0.00025972 -0.00027847
0.00062239 -0.00860054 -0.00653738
-10.07306158 6.12195897 -5.38771955
0.00037191 0.00023021 0.00076685
0.00604489 0.00862764 -0.01608703
-7.49514894 -1.96440417 18.11861205
-0.00026556 0.00036539 -0.00002066
0.00231011 0.05546614 -0.00143789
-7.52346174 -4.23797586 19.79560373
0.00073028 -0.00016844 0.00079793
0.00003374 -0.00281834 0.00646616
-24.75956456 -6.45102089 -23.20223490
0.00030202 0.00018754 -0.00016186
-0.00059775 -0.01762754 -0.00450751
-22.08368953 -6.13372229 -23.23755267
0.00076553 -0.00029810 -0.00054440
0.00579232 -0.02030920 -0.00486392
8.79735642 12.97795319 4.69086015
-0.00033099 0.00052579 -0.00052590
-0.01412257 0.00094605 0.04059017
9.10600122 11.67240409 7.45074488
-0.00054211 0.00097897 0.00001205
0.01838336 -0.01654307 0.00775824
23.31875074 27.38837370 -2.43882394
0.00155432 -0.00067765 0.00020124
0.00399029 0.02845789 -0.01835695
23.21183308 30.29973990 -1.88935307
-0.00023180 0.00002815 0.00039583
-0.00340778 -0.00481358 0.00006753
10.91154639 -0.71300459 -14.54660762
-0.00079346 -0.00034233 0.00005614
0.01827826 -0.00681870 0.00282506
8.14089360 -1.64513668 -14.38346952
-0.00001269 0.00052326 -0.00088388
0.01247826 0.00024309 0.00105521
-9.84444073 -0.81992057 14.30195219
0.00012872 0.00032360 0.00066071
0.00007592 -0.00788570 -0.00332966
-9.53416076 -2.40691280 11.77758988
0.00105023 0.00019610 -0.00069541
-0.01370380 -0.02690785 -0.00822521
-2.81169891 -26.35623578 12.04978492
-0.00052382 -0.00012382 0.00045398
-0.02142200 -0.00885373 0.01781549
-3.22122138 -25.82841033 9.00347299
-0.00002830 0.00015344 0.00011838
-0.00202251 -0.00120192 0.01444880
-14.59959743 -2.66689216 -6.23954197
-0.00021194 0.00063877 -0.00016594
-0.00426086 -0.01828941 -0.00308510
-16.27445284 -3.40722022 -8.43547875
0.00053177 -0.00040867 -0.00060375
0.00492712 -0.01109769 0.00284658
-18.89577308 -9.19273818 -18.75864064
-0.00054952 0.00073383 -0.00076362
0.00134011 -0.04516278 0.00497488
-18.26246057 -12.33602004 -18.77209928
-0.00034953 -0.00029479 0.00008658
0.01728563 0.00522060 -0.01258882
22.55322751 5.97006601 3.44418515
0.00032971 -0.00099024 0.00048091
-0.00963848 -0.01124929 0.00842662
20.39515882 6.64872779 5.26997454
-0.00074805 -0.00021209 0.00094516
0.01156368 -0.02356077 -0.00644525
18.03955606 -10.92966685 -11.84266256
0.00074668 0.00048341 -0.00046664
0.01806195 -0.01945819 -0.04451866
18.24813106 -10.75453221 -14.86749023
0.00056580 0.00016451 0.00092601
0.00441694 -0.00395651 0.01045344
-2.37127267 1.33776265 -7.36128551
0.00090128 -0.00077985 0.00074033
0.01835867 0.00541866 -0.00586467
-4.61441800 0.30233095 -6.12246054
-0.00034291 0.00050209 -0.00003609
-0.00831982 -0.00744716 0.00243348
-2.82654289 -4.46094213 -18.12997831
0.00027758 -0.00033147 -0.00113349
0.00416171 -0.00980787 -0.00532577
-3.64644331 -1.68951238 -18.61657104
0.00009342 -0.00035831 0.00006951
-0.00338026 -0.00600544 0.00996352
13.70676963 17.30920580 -19.71377199
0.00077902 0.00068439 -0.00087713
-0.00353828 -0.00011769 -0.00447846
12.71387258 15.68112685 -22.01887723
0.00033110 0.00013519 -0.00041143
-0.00166126 0.00622338 0.01335862
-13.70426827 17.21771413 -11.79196715
-0.00075293 -0.00012548 -0.00010735
0.01615739 -0.00085907 0.02270609
-14.65517416 15.59767152 -14.04097954
-0.00015656 -0.00033417 -0.00089938
-0.00094778 0.03137452 0.00698581
1.51254549 15.75441343 6.51612964
0.00093989 0.00011391 -0.00056598
0.01552174 -0.00343553 -0.02036399
0.13787479 15.94627490 8.78786536
0.00059152 -0.00076662 -0.00047480
-0.00459664 -0.00494198 0.02243124
-5.75321276 -8.41156142 2.92951703
0.00109300 0.00124111 -0.00124704
0.00131740 0.00394946 -0.00962380
-3.25083718 -10.11726035 2.93696789
0.00110531 -0.00120693 0.00040443
-0.00166215 0.00190392 -0.01362437
1.60171269 -3.66404201 2.98314206
-0.00102435 -0.00016981 0.00009995
-0.02138750 0.04258223 0.03735740
3.07620536 -4.50595008 1.04531817
0.00068368 0.00137191 -0.00087660
0.02654069 -0.00623115 -0.03052643
8.31313662 7.85060272 3.44192778
0.00001559 0.00000903 0.00050073
0.03142624 -0.02003469 0.02468066
11.30599684 8.01477446 4.14815047
-0.00031670 -0.00020293 -0.00092732
-0.01677666 -0.01072167 0.00371930
-7.99873620 -11.33192055 -2.40751109
0.00090438 0.00068339 0.00024683
0.03042284 -0.03472363 0.00031037
-10.20263381 -9.92044234 -1.25450612
-0.00063271 -0.00018810 0.00030675
0.00252703 0.00445640 -0.01671612
5.30445234 -15.41041750 -12.57692052
-0.00028474 -0.00048894 0.00037842
0.00498398 -0.01730649 0.00444284
2.68012486 -16.90951039 -11.99254489
0.00078241 0.00135516 -0.00002953
0.02130292 0.01799046 -0.00491388
4.82562036 -5.04707750 -4.76505345
0.00024459 0.00021121 0.00086259
0.01892802 0.00392750 -0.01169785
4.90380984 -6.85196115 -2.38434529
0.00126107 -0.00001127 0.00000852
-0.01660861 0.02554525 -0.02567216
16.81481942 2.60903369 24.08329940
-0.00002971 -0.00014612 -0.00006580
-0.00782470 -0.00032437 0.00413282
19.34793983 3.17970381 25.60165260
0.00045911 -0.00057391 0.00027294
-0.00671703 -0.00950692 -0.01390284
-9.59417310 1.03643893 1.41516025
0.00001862 -0.00027410 0.00018089
-0.00884107 0.00680585 0.00662374
-9.82902293 3.82720631 2.51113339
-0.00057304 -0.00112866 0.00070154
-0.00701662 -0.00314186 0.00054516
-5.09731031 13.71620916 -8.78872291
0.00050206 -0.00086075 0.00048925
-0.00500652 0.01071738 0.00400960
-7.71813682 12.43599009 -8.89279535
0.00040468 -0.00021164 0.00026507
-0.02189278 -0.00596936 0.01210061
0.80806375 11.81818694 -6.75766251
0.00133444 -0.00017252 0.00110101
-0.00431924 0.00506145 0.00696891
1.93155891 14.57050854 -6.46759796
-0.00049438 -0.00003185 0.00093381
0.00483456 0.00850285 0.02476456
-10.49045958 8.30345276 -12.86572528
-0.00049649 -0.00104196 -0.00027784
0.00028846 0.02314829 -0.00263382
-12.01838748 9.90949125 -11.12693260
0.00045776 -0.00017747 0.00037937
-0.00618281 0.00668474 0.01049297
7.51552432 5.13139498 13.07042012
0.00092806 0.00029247 0.00097777
0.00739253 -0.00304852 -0.00285640
9.75801186 3.84635009 14.55842652
0.00000270 0.00017703 -0.00006909
-0.00696082 0.00844470 -0.01380258
-14.13078012 10.32995638 -7.32769577
0.00013287 0.00081346 0.00122189
0.01200739 0.01526715 -0.00199805
-16.90559991 10.87552443 -7.97673988
-0.00002248 -0.00036876 0.00005074
-0.00146238 0.00216658 0.00019097
9.04719344 9.40898480 -2.30442889
0.00059988 0.00013740 0.00080061
0.00845320 0.02069207 0.01392441
7.89212855 8.23202115 -4.56667164
0.00026326 -0.00076260 0.00052060
0.00472959 -0.01659128 0.01329450
14.48265897 -18.97996481 -27.53380946
-0.00007073 -0.00060409 0.00046543
-0.00544517 -0.01454906 0.01099280
13.40575699 -20.39091249 -25.14785611
-0.00049324 0.00011797 0.00048193
0.00303750 0.00727007 0.00345194
5.31179693 5.27942994 2.18930133
-0.00107515 0.00004379 0.00000978
-0.00781875 0.02217817 -0.00521109
5.96088621 6.92304580 -0.08506348
-0.00101610 0.00027475 0.00044145
-0.01655485 0.00994662 0.01846373
19.65175735 -6.86721050 -6.77196581
0.00082179 0.00138127 0.00011258
0.02092177 -0.00891506 0.00978114
17.44821667 -5.05153719 -6.09042782
-0.00031577 0.00012512 0.00057538
0.00746917 -0.01033180 -0.02493973
-2.65200481 -0.76987722 -0.99832381
-0.00028268 0.00052322 0.00032736
0.00160397 -0.00363161 0.00719007
-2.10098334 -1.20228081 -3.74062251
-0.00020971 -0.00010925 -0.00107493
0.00736684 -0.01386191 0.00567361
3.90889231 -3.39432148 -12.09384287
0.00040517 -0.00002470 -0.00042405
0.02549942 -0.03291438 -0.00492730
1.06319365 -2.74720235 -11.73637448
-0.00038243 -0.00015230 -0.00021346
0.01031578 0.00595825 0.00032273
19.59335977 8.24973135 -7.79628745
0.00031649 0.00027692 -0.00051562
0.00297255 0.01540933 0.02062603
20.89932602 8.42256540 -5.09342151
0.00019582 -0.00046838 0.00023450
-0.02368973 0.01517741 -0.02529938
-7.04053529 4.02171126 9.26419143
-0.00013988 0.00099166 -0.00106831
-0.00890238 0.02270037 -0.00859061
-7.63179715 6.64242248 10.60230101
0.00088540 0.00024881 -0.00043457
0.00230074 0.00072634 0.00807442
-2.38943968 -17.78742222 11.53394333
0.00069977 -0.00002924 0.00056978
0.00071521 0.00375236 -0.00617442
-2.82700165 -15.23762160 10.13362997
0.00017306 -0.00043812 -0.00051381
-0.00948663 0.00350700 -0.00852240
8.40656015 -0.64528319 -2.94582281
-0.00034258 -0.00044259 -0.00043357
0.03422966 0.00141273 0.05359132
7.65267045 1.20507946 -5.29296356
-0.00075792 0.00056708 -0.00053798
0.00631522 -0.01175698 0.01218199
0.41569963 -11.82147498 1.87165128
0.00006383 -0.00019415 0.00027619
-0.00413172 0.00556840 -0.00790683
-0.91775827 -10.52716631 -0.42016617
0.00018891 -0.00005824 -0.00017270
-0.00022387 0.00223702 0.00649735
-19.73291639 -1.63094014 6.86075270
0.00022447 -0.00008708 -0.00001876
0.00820494 -0.00707887 0.03109307
-21.16732105 0.52923719 5.63973388
-0.00092767 0.00040294 0.00107671
0.01032589 -0.01054626 -0.00439534
-4.97875533 8.26246547 -26.22049953
0.00064859 -0.00012207 -0.00101414
0.02005246 -0.00107299 0.00812857
-5.73605196 7.25169191 -23.26583039
0.00122374 0.00023350 -0.00005944
0.00533211 0.01352222 -0.03750246
4.30874125 1.61381564 -2.66478603
0.00034286 0.00064662 0.00004464
-0.01957227 -0.01209104 0.01063974
1.78755459 0.38682492 -1.44848921
0.00058128 -0.00078572 0.00065701
-0.00287414 -0.02121994 -0.00668069
14.86068258 7.38080041 5.66644187
-0.00023443 -0.00027275 0.00020150
0.00619690 -0.00817199 0.02847278
15.76761505 9.76188763 4.24441156
-0.00073236 -0.00045094 -0.00083005
0.02084031 0.03483702 0.00775340
1.47811734 -11.77538498 -13.82867765
0.00011639 -0.00000758 -0.00017285
0.00123225 0.00459580 0.00315262
-13.56287979 14.57301377 22.68796938
0.00000200 0.00015128 0.00015294
-0.00092254 -0.00371007 0.00272093
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02511689
0.35446941
472.31271327
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3477516518 (a.u.)
total exchange computation time: 2.5488300323 s
-154.0459785605
-931.37914311
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3471870338 (a.u.)
total exchange computation time: 2.5454261303 s
-154.0518745382
Anderson extrapolation: theta=1.3508724906 (1.3508724906)
-931.37938487
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3462936856 (a.u.)
total exchange computation time: 2.5461380482 s
-154.0607379805
Anderson extrapolation: theta=0.0509747583 (0.0509747583)
-931.37953018
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3461450038 (a.u.)
total exchange computation time: 2.5511069298 s
-154.0619361836
Anderson extrapolation: theta=1.8766411712 (1.8766411712)
-931.37953550
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3458332002 (a.u.)
total exchange computation time: 2.5450789928 s
-154.0643478422
Anderson extrapolation: theta=0.2047337793 (0.2047337793)
-931.37954092
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 1.156 s
total exchange = -52.3457577366 (a.u.)
total exchange computation time: 2.5458860397 s
-154.0648495861
Anderson extrapolation: theta=1.8742301930 (1.8742301930)
-931.37954193
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3456373164 (a.u.)
total exchange computation time: 2.5455310345 s
-154.0655678692
Anderson extrapolation: theta=0.2824790500 (0.2824790500)
-931.37954326
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3456256160 (a.u.)
total exchange computation time: 2.5457742214 s
-154.0655549481
Anderson extrapolation: theta=1.3525904155 (1.3525904155)
-931.37954361
-23.339609 -171.618263 -244.442787
-138.310120 458.477495 -804.277799
-161.649728 286.859232 -1048.720586
1099.196853
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3456272729 (a.u.)
total exchange computation time: 2.5461440086 s
678.53814218
-1083.34176090
89.74825216
-389.26305386
-174.71549622
78.04754077
551.60419304
0.00000000
-931.37954392
-9.25573785 -5.40332330 9.62347605
0.00011529 0.00017366 0.00033359
0.02294463 -0.01557125 0.02435814
-13.86180896 5.07789703 9.04030814
0.00009225 -0.00017915 -0.00021969
0.00789843 -0.00169440 -0.00866907
-15.78353107 1.60714146 2.96681802
-0.00009548 -0.00016441 -0.00002472
0.01599187 0.02087898 0.00733268
2.45739961 -19.68252313 13.23523369
-0.00005823 0.00003816 0.00022064
0.01582098 -0.01635241 0.01759423
9.60207786 20.81729915 0.52986952
0.00048130 0.00008791 -0.00015604
0.00710782 -0.05143732 -0.00222009
-11.10568123 12.73857331 15.16101133
-0.00013858 0.00016353 0.00017185
0.00223192 -0.02098160 -0.01104051
-6.03120241 1.16634684 -13.00766346
0.00000435 0.00012184 0.00005487
0.01260009 0.01089051 -0.01907143
-9.01735057 6.55190757 -6.87687895
0.00030465 0.00034795 0.00005091
-0.01438540 -0.00238290 0.01959282
-7.60464525 -3.69177517 18.05747818
0.00026273 -0.00003975 -0.00015284
0.00295614 -0.05689157 0.00029511
-23.28266908 -7.55141117 -23.40319692
-0.00031854 -0.00018447 -0.00022561
-0.00826595 0.04295898 -0.00383474
8.21702502 12.93799888 6.54043433
0.00060460 0.00016403 0.00020341
-0.01003283 0.02886563 -0.05548652
23.32737417 29.09855842 -3.28561346
-0.00038072 -0.00047247 0.00035132
-0.00223486 -0.02177469 0.01799051
9.23157194 -0.14807708 -14.62213492
0.00048840 0.00028644 0.00007113
-0.04090690 0.01310838 -0.00743452
-8.96773671 -1.02221822 12.71889253
-0.00034319 -0.00028914 -0.00034946
0.01621685 0.03662100 0.02163857
-2.09816342 -25.94411076 10.45476345
-0.00015436 0.00005408 0.00014906
0.02490624 0.00940201 -0.03728845
-15.16133006 -4.21802442 -7.21509532
-0.00018902 0.00031191 0.00001610
-0.00001449 0.01594491 -0.00936527
-19.38628461 -10.99143908 -18.29524004
0.00000910 -0.00009677 0.00006361
-0.01665959 0.04203998 0.00708865
21.38769191 5.18112309 4.66235420
-0.00042791 0.00054048 -0.00008109
-0.00180917 0.03362956 0.00472201
19.02806061 -11.66410848 -13.43528878
0.00076396 0.00011757 0.00025549
-0.02338182 0.02243196 0.03142684
-2.95994120 -0.22514692 -6.66519542
-0.00041289 -0.00026231 0.00021636
-0.01076747 0.00427270 0.00228599
-3.92745180 -3.17765562 -17.52595510
0.00025830 0.00008058 -0.00009132
-0.00142892 0.01424733 -0.00057089
14.20759831 16.43898879 -21.23333922
-0.00014728 -0.00000899 -0.00002406
0.01419674 -0.00840725 -0.00937162
-14.73002230 17.38425831 -13.23103333
0.00037975 0.00056126 -0.00012891
-0.02388677 -0.03152531 -0.03666421
1.60763088 15.05938600 8.16613746
-0.00043008 0.00016831 -0.00038571
-0.00335992 -0.00192393 -0.00454549
-4.52121621 -9.27765566 3.95653154
0.00018296 0.00017255 0.00004045
0.00344097 -0.00783114 0.01139126
2.12117725 -5.21600943 2.36333582
-0.00008389 -0.00009210 0.00001880
0.00910956 -0.02711639 -0.01281638
9.70580410 7.07361234 4.53152239
-0.00014874 0.00019100 -0.00019042
-0.00803766 0.02798460 -0.03189213
-9.20067074 -10.10309069 -2.81549987
-0.00017041 -0.00036556 0.00013160
-0.02975327 0.02905854 0.03421637
3.54899103 -15.59482538 -13.01357516
-0.00021931 -0.00016538 -0.00022147
-0.03056357 0.00745015 -0.00402340
3.78423641 -5.70268575 -3.43483886
-0.00014423 0.00007458 0.00036483
0.00372465 -0.03300107 0.04301586
18.42615550 1.90781850 24.56538955
-0.00010406 0.00022654 -0.00007484
0.01588058 -0.00638632 0.00438878
-8.80833774 2.69049309 1.52263512
-0.00006849 -0.00024358 -0.00000094
0.00649596 -0.00409892 -0.01048528
-6.25398640 12.79916620 -9.86881029
0.00056516 -0.00027717 0.00015889
0.01296417 -0.00611719 -0.02416806
1.63511576 13.21149127 -7.58956486
-0.00003627 0.00014345 -0.00020232
0.00071247 -0.01471523 -0.02439193
-10.88377541 10.11290589 -12.52143727
-0.00038669 0.00005304 0.00000139
0.00486682 -0.03566683 -0.00830441
7.95298380 4.16084906 14.55270206
-0.00035137 -0.00034204 0.00005461
0.00704438 -0.01776292 0.02400350
-15.57774913 9.63302502 -8.14527880
0.00023549 0.00037211 0.00045368
-0.00227653 -0.00894867 -0.00136105
8.83068591 7.78673200 -3.01670072
-0.00042240 -0.00001009 -0.00030594
-0.01479307 -0.00713003 -0.01340699
14.16408432 -20.67405083 -26.78164664
0.00008861 -0.00009027 0.00003062
0.00019038 0.01417407 -0.00544118
4.98641610 7.03611518 1.54473350
0.00026270 -0.00041058 0.00025191
0.02368206 -0.03083297 -0.00923094
18.39283539 -5.85861613 -7.55496839
-0.00035209 0.00000155 -0.00020823
-0.02335739 0.02174548 0.03214495
-1.86890698 -2.03852496 -2.06625833
-0.00012139 -0.00030052 -0.00001244
-0.00616788 0.02419577 -0.00510251
2.78116603 -2.04003524 -12.02800018
-0.00001587 -0.00010015 -0.00002603
-0.03214572 0.02342058 0.00831694
19.60108757 9.35778566 -6.24122420
0.00013447 -0.00012909 0.00021895
0.02748259 -0.04123557 0.00486179
-7.50097557 5.85967441 8.97083911
-0.00021244 -0.00051949 -0.00031264
0.00350987 -0.00998473 -0.00454804
-1.86616176 -16.04558269 11.43929694
0.00019369 -0.00018324 -0.00014575
0.00550322 -0.00068084 0.01353405
7.55479121 -0.46325978 -4.45511169
0.00013334 -0.00009467 -0.00050090
-0.03661856 0.03277464 -0.06037421
-0.95546974 -12.06902754 0.62175847
-0.00017075 -0.00022336 0.00007738
0.00390410 -0.00729414 0.00770203
-19.95566513 -0.82161014 5.27256924
0.00008134 0.00041485 0.00002524
-0.02392743 0.02873727 -0.02831777
-6.27145382 7.81343269 -24.99808781
-0.00059067 0.00023266 -0.00040350
-0.00883878 -0.00701836 0.03701227
2.69407061 1.89110437 -1.78309139
-0.00053330 0.00016935 -0.00013206
0.01844843 0.02756817 -0.00747575
14.83770466 8.27451804 4.11906892
-0.00019611 0.00004336 0.00008907
-0.03388173 -0.03571010 -0.03189923
-8.27798702 -6.77507505 10.50921819
-0.00058276 0.00005088 -0.00123462
-0.00911063 0.01913906 -0.00965550
-10.00978625 -6.28741952 8.25870733
-0.00017567 0.00031065 0.00000790
-0.00936465 -0.00555681 -0.01192098
-13.18608260 6.16011426 7.70596107
0.00043027 -0.00012366 -0.00008428
-0.00307929 -0.00015932 -0.00085144
-13.90730277 3.45865332 8.14920641
-0.00007140 0.00017904 0.00007050
0.00245260 0.00071236 0.01688197
-15.05065977 1.78668547 4.65318554
-0.00008180 -0.00043667 -0.00062922
0.00526655 -0.00457758 -0.00997641
-17.31106165 0.75873298 3.35714829
0.00083450 0.00052995 0.00039468
-0.02645521 -0.01240965 0.00572640
3.21673998 -21.29828293 12.50597668
-0.00087955 -0.00117539 -0.00048699
-0.01501620 0.03302345 0.02319986
3.05514862 -19.29112196 15.01582731
0.00020615 0.00023605 0.00121408
-0.00774197 -0.01653166 -0.04649368
9.25845365 18.98696312 1.02217107
-0.00058929 -0.00025066 -0.00113816
0.01175593 0.02863103 -0.01720994
8.18022893 21.62375374 1.29600159
0.00068641 0.00009267 0.00035617
-0.01197233 0.02173525 0.01324991
-10.49512818 12.72026638 16.90485322
-0.00050225 -0.00114541 -0.00032965
0.00686975 -0.00840879 0.00479991
-11.78444865 14.36823920 15.03353896
0.00105306 -0.00023183 0.00112020
-0.01507415 0.02955480 -0.01007460
-5.82983088 -0.06554336 -14.32198636
-0.00059578 -0.00025386 0.00051415
0.00229328 0.00004407 -0.00572783
-6.32471185 0.24346588 -11.50816042
-0.00046028 -0.00136334 0.00027804
-0.01209617 -0.01354173 0.02391892
-8.41293735 8.18653803 -6.29541452
0.00040283 0.00022671 -0.00030402
0.00089361 -0.00755598 -0.00597184
-10.06729770 6.12567647 -5.37670983
0.00040076 0.00026743 0.00069563
0.00807624 0.00959502 -0.01877563
-7.49906153 -1.95722365 18.11825814
-0.00025692 0.00058186 -0.00002650
0.00191650 0.05049694 -0.00142066
-7.51250649 -4.24058884 19.80777076
0.00072970 -0.00017517 0.00081026
-0.00031604 -0.00047638 -0.00042747
-24.75505262 -6.44874793 -23.20480098
0.00029665 0.00011823 -0.00017978
-0.00202745 -0.01629953 -0.00426147
-22.07202908 -6.13881614 -23.24586777
0.00078309 -0.00038663 -0.00056474
0.00280115 -0.02302591 -0.00509004
8.79195877 12.98586899 4.68421544
-0.00038809 0.00052831 -0.00035601
-0.01382774 0.00028791 0.04257141
9.09843293 11.68658177 7.45116342
-0.00045611 0.00089616 0.00005319
0.02371305 -0.02399376 0.01238005
23.34218780 27.37908100 -2.43636783
0.00156865 -0.00056080 0.00012690
0.00302531 0.02873901 -0.01803195
23.20825162 30.30001469 -1.88341359
-0.00024573 0.00000427 0.00039288
-0.00341024 -0.00687516 -0.00150836
10.90020458 -0.71834849 -14.54567901
-0.00070059 -0.00037583 0.00006843
0.02718122 -0.00958121 0.00319434
8.14108557 -1.63728028 -14.39669544
0.00003775 0.00052439 -0.00087871
0.01221338 0.00030617 0.00147501
-9.84250758 -0.81530820 14.31176076
0.00013352 0.00028781 0.00063582
0.00227076 -0.00963485 -0.00885202
-9.51882720 -2.40479589 11.76690671
0.00098899 0.00007669 -0.00073266
-0.01627425 -0.03154207 -0.01000933
-2.82021270 -26.35836439 12.05714054
-0.00060812 -0.00015825 0.00051981
-0.01984098 -0.00799914 0.01440845
-3.22170779 -25.82614549 9.00569137
-0.00003693 0.00014848 0.00017654
-0.00220428 -0.00122977 0.01402148
-14.60290716 -2.65787112 -6.24212560
-0.00022996 0.00056314 -0.00017959
-0.00455866 -0.01873040 -0.00359628
-16.26632527 -3.41369029 -8.44444771
0.00054866 -0.00045145 -0.00059488
0.00334070 -0.00984564 0.00149350
-18.90397485 -9.18311466 -18.76994245
-0.00054518 0.00054143 -0.00074124
0.00078772 -0.04901992 0.00597915
-18.26717379 -12.34028190 -18.77118641
-0.00027769 -0.00027386 0.00003419
0.01787969 0.00502613 -0.01305361
22.55787784 5.95486765 3.45165697
0.00029270 -0.00102973 0.00051158
-0.00848026 -0.00808052 0.00658623
20.38429240 6.64482440 5.28395440
-0.00069909 -0.00030579 0.00091620
0.01240228 -0.02230234 -0.00772990
18.05130978 -10.92301192 -11.85102629
0.00081959 0.00040377 -0.00064335
0.01762810 -0.01952696 -0.04198621
18.25675340 -10.75218587 -14.85327968
0.00058210 0.00015047 0.00096238
0.00356274 -0.00291337 0.00734761
-2.35719093 1.32623101 -7.35036034
0.00097712 -0.00075498 0.00071529
0.01876592 0.00675161 -0.00638945
-4.61981662 0.30963406 -6.12292727
-0.00037521 0.00047163 -0.00002686
-0.00748960 -0.00746191 0.00208258
-2.82225161 -4.46621472 -18.14714387
0.00028719 -0.00036369 -0.00115078
0.00053884 -0.00596183 -0.00313737
-3.64514559 -1.69507103 -18.61522307
0.00008029 -0.00037726 0.00010657
-0.00304522 -0.00327141 0.00817660
13.71834648 17.31946809 -19.72706615
0.00076049 0.00068838 -0.00088716
-0.00553388 0.00207029 -0.00043078
12.71878816 15.68334540 -22.02463930
0.00032093 0.00015958 -0.00035732
-0.00331706 0.00571470 0.01312761
-13.71506706 17.21580562 -11.79288167
-0.00068128 -0.00013030 -0.00000627
0.01891209 -0.00150063 0.02677555
-14.65755164 15.59362037 -14.05425619
-0.00015959 -0.00019844 -0.00086643
-0.00053254 0.03506681 0.00914541
1.52711949 15.75601685 6.50701600
0.00100195 0.00009982 -0.00064560
0.01485524 -0.00346087 -0.01861374
0.14660677 15.93462421 8.78143079
0.00055687 -0.00077676 -0.00037844
-0.01236626 -0.00002297 0.02473518
-5.73677732 -8.39282381 2.91051655
0.00110486 0.00125178 -0.00128075
0.00448801 0.00127350 -0.00687788
-3.23430840 -10.13530599 2.94261691
0.00108745 -0.00119166 0.00035643
-0.00708031 0.00557277 -0.00987390
1.58569210 -3.66528430 2.98578607
-0.00110955 -0.00000196 0.00024909
-0.02032157 0.03958304 0.03564827
3.08727390 -4.48556236 1.03123382
0.00077482 0.00133545 -0.00097738
0.01807059 -0.01161750 -0.01881056
8.31433347 7.85012421 3.45019505
0.00013909 -0.00007049 0.00059748
0.02902746 -0.01889090 0.02267702
11.30073231 8.01140204 4.13435460
-0.00038266 -0.00024543 -0.00091178
-0.01551241 -0.01008704 0.00388770
-7.98423830 -11.32273376 -2.40379907
0.00102693 0.00054334 0.00024873
0.02956749 -0.03383232 0.00061810
-10.21204702 -9.92312726 -1.25041713
-0.00061830 -0.00017126 0.00023437
0.00452716 0.00378711 -0.01871467
5.30033399 -15.41828190 -12.57110804
-0.00026457 -0.00055802 0.00039497
0.00489058 -0.01650942 0.00365736
2.69251374 -16.88863175 -11.99313837
0.00085825 0.00141434 -0.00004006
0.01582324 0.01097912 -0.00024232
4.82986930 -5.04378896 -4.75247309
0.00032112 0.00022904 0.00081221
0.01853062 0.00479681 -0.01296064
4.92221698 -6.85134744 -2.38500415
0.00118756 0.00009601 -0.00009780
-0.01937774 0.02697174 -0.02637147
16.81413405 2.60683202 24.08243906
-0.00006359 -0.00014498 -0.00004882
-0.00876331 0.00087926 0.00417908
19.35462066 3.17080390 25.60532064
0.00043041 -0.00061058 0.00021618
-0.00733289 -0.00844447 -0.01387922
-9.59416477 1.03253591 1.41807661
-0.00001664 -0.00024753 0.00020719
-0.00841673 0.00620414 0.00624980
-9.83783357 3.81018019 2.52167323
-0.00059964 -0.00114141 0.00070255
-0.00600396 -0.00310062 -0.00005107
-5.08993276 13.70362636 -8.78126125
0.00048298 -0.00081603 0.00050631
-0.00433648 0.01117270 0.00434028
-7.71273748 12.43263259 -8.88844847
0.00031849 -0.00023510 0.00031173
-0.02029847 -0.00551285 0.01073923
0.82794801 11.81575428 -6.74093384
0.00131798 -0.00015051 0.00112600
-0.00374068 0.00571169 0.00526423
1.92429136 14.57029136 -6.45283194
-0.00047461 -0.00000281 0.00102772
0.00484484 0.00571205 0.02120371
-10.49789815 8.28853272 -12.86997352
-0.00049781 -0.00093473 -0.00028608
-0.00093356 0.02934118 -0.00140427
-12.01171053 9.90703407 -11.12092049
0.00043040 -0.00015026 0.00042488
-0.00721061 0.00663458 0.01178357
7.52967171 5.13568861 13.08499912
0.00095310 0.00028658 0.00095673
0.00486760 0.00016359 -0.00744214
9.75783902 3.84926433 14.55696720
-0.00002906 0.00021121 -0.00012356
-0.00858601 0.00828501 -0.01285876
-14.12841918 10.34262606 -7.30942862
0.00017547 0.00087319 0.00121002
0.00884589 0.01397142 -0.00381170
-16.90598187 10.87005938 -7.97597293
-0.00003192 -0.00035598 0.00005218
-0.00315924 0.00408931 0.00051183
9.05645073 9.41167991 -2.29199304
0.00063165 0.00020920 0.00084968
0.00709727 0.01445510 0.01009679
7.89622238 8.22007378 -4.55845529
0.00027458 -0.00082405 0.00056211
0.00081264 -0.01348916 0.00702810
14.48143109 -18.98947192 -27.52649112
-0.00009112 -0.00065540 0.00050623
-0.00453362 -0.01057044 0.00897935
13.39845143 -20.38892019 -25.14052131
-0.00047639 0.00014555 0.00048669
0.00520962 0.00623108 -0.00112453
5.29543007 5.28076633 2.18928836
-0.00110390 0.00012705 -0.00000969
-0.00625222 0.01857936 -0.00431922
5.94513742 6.92747185 -0.07787597
-0.00107765 0.00031327 0.00050886
-0.01357449 0.00890854 0.01453675
19.66472533 -6.84676462 -6.76997745
0.00090456 0.00134710 0.00014989
0.01959375 -0.00781408 0.00848353
17.44370893 -5.04997703 -6.08256131
-0.00028337 0.00008110 0.00046847
0.00839335 -0.01121664 -0.02739651
-2.65619582 -0.76214021 -0.99319303
-0.00027076 0.00050009 0.00034841
0.00423214 -0.00769023 0.00311225
-2.10390328 -1.20434429 -3.75657267
-0.00017900 -0.00016995 -0.00104102
0.00766878 -0.01585343 0.01092829
3.91575127 -3.39570062 -12.10035454
0.00050538 -0.00015494 -0.00044376
0.02355456 -0.03083884 -0.00472254
1.05777336 -2.74930422 -11.73956641
-0.00033715 -0.00012759 -0.00021253
0.01184952 0.00613525 0.00013105
19.59819815 8.25435731 -7.80338969
0.00032868 0.00034126 -0.00042795
0.00299390 0.01608719 0.02229005
20.90153738 8.41600481 -5.09067922
0.00009828 -0.00040594 0.00013014
-0.02405738 0.01538736 -0.02578744
-7.04290629 4.03728181 9.24790360
-0.00017272 0.00106838 -0.00109873
-0.00717112 0.01485366 -0.00630186
-7.61844559 6.64617683 10.59602989
0.00089524 0.00024987 -0.00040415
0.00251414 -0.00020790 0.00681392
-2.37892119 -17.78774588 11.54230082
0.00070125 -0.00001792 0.00054437
0.00000670 0.00179185 -0.00626616
-2.82469645 -15.24408597 10.12566159
0.00013601 -0.00042582 -0.00054590
-0.00864851 0.00251462 -0.00718399
8.40247034 -0.65187873 -2.95068410
-0.00020253 -0.00043590 -0.00021391
0.03432787 0.00186116 0.05393275
7.64149524 1.21322544 -5.30065999
-0.00073155 0.00051300 -0.00048487
0.00659218 -0.01471904 0.01381545
0.41653050 -11.82421667 1.87555177
0.00004440 -0.00017217 0.00024164
-0.00538090 0.00519527 -0.00900174
-0.91493147 -10.52797136 -0.42255758
0.00018732 -0.00005166 -0.00014417
-0.00055660 0.00098580 0.00747074
-19.72929788 -1.63246321 6.86142410
0.00025739 -0.00011423 0.00010450
0.00790694 -0.00621332 0.02924292
-21.18091971 0.53495816 5.65574982
-0.00087762 0.00035173 0.00105593
0.01417271 -0.01452453 -0.00577679
-4.96841206 8.26060160 -26.23546255
0.00071763 -0.00012967 -0.00097175
0.01374229 -0.00264996 0.01262265
-5.71753249 7.25560876 -23.26787111
0.00124029 0.00029094 -0.00022005
0.00277127 0.01459486 -0.04112072
4.31328446 1.62314443 -2.66379036
0.00025626 0.00059829 0.00009197
-0.02282295 -0.01156629 0.01252531
1.79618565 0.37438888 -1.43883873
0.00057286 -0.00086605 0.00062861
-0.00124446 -0.01810347 -0.00722170
14.85735608 7.37645873 5.67033690
-0.00020860 -0.00030221 0.00031308
0.00644415 -0.00624937 0.02614666
15.75726831 9.75619110 4.23219841
-0.00063981 -0.00029696 -0.00079663
0.02446180 0.04053747 0.00860488
1.47986650 -11.77548642 -13.83126192
0.00011685 -0.00000592 -0.00017172
0.00131360 0.00468098 0.00316984
-13.56285137 14.57527649 22.69026815
0.00000176 0.00015042 0.00015357
-0.00116656 -0.00369351 0.00273263
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02506889
0.35447502
472.32019767
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3419832156 (a.u.)
total exchange computation time: 2.5473592281 s
-154.0216385291
-931.37869782
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3414621956 (a.u.)
total exchange computation time: 2.5456109047 s
-154.0271673802
Anderson extrapolation: theta=1.3490235498 (1.3490235498)
-931.37893994
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3406304009 (a.u.)
total exchange computation time: 2.5454180241 s
-154.0355168340
Anderson extrapolation: theta=0.0506985556 (0.0506985556)
-931.37908538
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3404855564 (a.u.)
total exchange computation time: 2.5454030037 s
-154.0366852946
Anderson extrapolation: theta=1.8866433148 (1.8866433148)
-931.37909076
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3401784621 (a.u.)
total exchange computation time: 2.5449039936 s
-154.0390577082
Anderson extrapolation: theta=0.2070266562 (0.2070266562)
-931.37909631
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3401023536 (a.u.)
total exchange computation time: 2.5457630157 s
-154.0395601478
Anderson extrapolation: theta=1.8881822778 (1.8881822778)
-931.37909736
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3399793075 (a.u.)
total exchange computation time: 2.5457439423 s
-154.0402860450
Anderson extrapolation: theta=0.2826931819 (0.2826931819)
-931.37909877
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3399666055 (a.u.)
total exchange computation time: 2.5451059341 s
-154.0402746620
Anderson extrapolation: theta=1.3395434140 (1.3395434140)
-931.37909914
-23.290120 -171.594521 -244.447919
-138.265132 458.454387 -804.277507
-161.555253 286.859865 -1048.725426
1099.187746
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0548691860
ExchangeOperator: pair fraction: ispin=0: 0.1296051920
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3399669385 (a.u.)
total exchange computation time: 2.5451300144 s
678.45741536
-1083.15727399
89.75146493
-389.38971505
-174.70102378
77.94419846
551.60419304
0.00000000
-931.37909947
-9.25392004 -5.40077842 9.62857390
0.00012599 0.00016605 0.00034463
0.01866372 -0.01402781 0.01856705
-13.86039469 5.07520331 9.03697933
0.00009634 -0.00017917 -0.00022379
0.00797558 0.00161199 -0.00727896
-15.78490164 1.60475580 2.96647555
-0.00008583 -0.00015291 -0.00002223
0.02153331 0.02383594 0.00235541
2.45658716 -19.68201377 13.23861108
-0.00004952 0.00002921 0.00023037
0.01806303 -0.01845158 0.02024753
9.60932472 20.81841945 0.52752042
0.00048451 0.00006132 -0.00015712
0.00540353 -0.05198292 -0.00200188
-11.10775138 12.74094529 15.16354655
-0.00013706 0.00015089 0.00016547
0.00369130 -0.02816149 -0.01378255
-6.03108855 1.16821648 -13.00691403
0.00001045 0.00012603 0.00004722
0.01113554 0.00540618 -0.01065476
-9.01283632 6.55711758 -6.87603969
0.00029670 0.00034617 0.00006134
-0.01654019 -0.00451824 0.02093801
-7.60069293 -3.69259081 18.05518679
0.00026451 -0.00006776 -0.00015099
0.00396049 -0.05204277 0.00686698
-23.28747899 -7.55401258 -23.40659579
-0.00032160 -0.00016224 -0.00022761
-0.00364357 0.04349567 -0.00395766
8.22605532 12.94057067 6.54327147
0.00059802 0.00018088 0.00017349
-0.01556152 0.03667720 -0.06086120
23.32165472 29.09138732 -3.28027424
-0.00038168 -0.00048311 0.00036081
-0.00151101 -0.01958493 0.01889704
9.23874020 -0.14372989 -14.62109659
0.00046543 0.00029385 0.00006714
-0.04842558 0.01569597 -0.00811171
-8.97282194 -1.02641411 12.71373412
-0.00033485 -0.00026902 -0.00033673
0.01619858 0.04164303 0.02787719
-2.10038274 -25.94326330 10.45685556
-0.00014189 0.00005865 0.00013114
0.02358263 0.00837050 -0.03239632
-15.16416543 -4.21328429 -7.21489001
-0.00018858 0.00031964 0.00001174
0.00172433 0.01413201 -0.00756579
-19.38621240 -10.99272842 -18.29425847
0.00000056 -0.00007447 0.00006708
-0.01655566 0.04467012 0.00638730
21.38126633 5.18935999 4.66115608
-0.00042934 0.00055644 -0.00007785
-0.00376117 0.02844661 0.00785731
19.03942984 -11.66225833 -13.43133528
0.00075236 0.00012868 0.00027164
-0.02172446 0.02075640 0.03140227
-2.96617602 -0.22906510 -6.66194127
-0.00041865 -0.00026033 0.00021772
-0.01166157 0.00344367 0.00303102
-3.92358275 -3.17639200 -17.52732704
0.00025838 0.00008609 -0.00009170
0.00172755 0.00718097 -0.00091826
14.20544384 16.43882148 -21.23373629
-0.00013897 -0.00001374 -0.00002983
0.01813249 -0.01004405 -0.01307310
-14.72441816 17.39255559 -13.23310844
0.00036688 0.00054435 -0.00014902
-0.02615293 -0.03422930 -0.04153275
1.60116671 15.06190316 8.16033435
-0.00042958 0.00016609 -0.00038924
0.00529350 -0.00669576 -0.00919190
-4.51845852 -9.27509765 3.95718224
0.00018520 0.00016828 0.00004463
0.00527924 -0.00875648 0.00486000
2.11995404 -5.21749557 2.36356833
-0.00007760 -0.00010349 0.00001002
0.01535951 -0.01716119 -0.02130029
9.70354193 7.07658523 4.52854306
-0.00015244 0.00020473 -0.00020612
-0.00631815 0.02542301 -0.02915154
-9.20334169 -10.10846204 -2.81339387
-0.00018564 -0.00035101 0.00014960
-0.02944268 0.02751732 0.03575805
3.54558351 -15.59727737 -13.01691279
-0.00023331 -0.00015980 -0.00022474
-0.02388996 0.01425588 -0.00867105
3.78208729 -5.70169438 -3.42920044
-0.00014152 0.00005728 0.00038709
0.00682192 -0.03426643 0.04353120
18.42465583 1.91119190 24.56428392
-0.00009562 0.00022272 -0.00007269
0.01696379 -0.00847164 0.00397137
-8.80934007 2.68682356 1.52258056
-0.00006554 -0.00024552 -0.00000607
0.00496827 -0.00345421 -0.00947108
-6.24545902 12.79498498 -9.86652023
0.00057106 -0.00028066 0.00014683
0.01000553 -0.00742349 -0.02269331
1.63457450 13.21358618 -7.59269376
-0.00003601 0.00013657 -0.00021333
0.00028069 -0.01203449 -0.01843666
-10.88955701 10.11356384 -12.52144848
-0.00038370 0.00003336 -0.00000334
0.00677448 -0.04084350 -0.01008234
7.94774039 4.15564998 14.55361380
-0.00034677 -0.00035188 0.00006783
0.01083195 -0.02050096 0.02740596
-15.57422559 9.63857221 -8.13847881
0.00023558 0.00036741 0.00045334
0.00263360 -0.00934940 0.00003823
8.82429288 7.78655312 -3.02134155
-0.00042844 -0.00001292 -0.00030997
-0.00868998 -0.00387264 -0.00227383
14.16541421 -20.67535018 -26.78120826
0.00008788 -0.00008386 0.00002954
-0.00303225 0.01075542 0.00120741
4.99044801 7.02983751 1.54847650
0.00027359 -0.00042502 0.00024807
0.01863157 -0.02529212 -0.00570435
18.38746398 -5.85850899 -7.55796787
-0.00036371 0.00001253 -0.00019076
-0.02184070 0.02094712 0.03579778
-1.87075164 -2.04293938 -2.06646460
-0.00012523 -0.00028669 -0.00001527
-0.00874132 0.02955972 -0.00590890
2.78080392 -2.04144718 -12.02835858
-0.00003199 -0.00008895 -0.00002177
-0.03051300 0.02013719 0.00824278
19.60321069 9.35569027 -6.23792124
0.00014855 -0.00015045 0.00022121
0.02725448 -0.04184315 0.00394410
-7.50414862 5.85184357 8.96613199
-0.00021127 -0.00052190 -0.00031512
0.00104059 0.00061307 -0.00508230
-1.86323516 -16.04833395 11.43716294
0.00019644 -0.00018274 -0.00013916
0.00519529 0.00263474 0.01207389
7.55665000 -0.46455345 -4.46285803
0.00011484 -0.00007726 -0.00053161
-0.03530592 0.03492339 -0.05907663
-0.95801599 -12.07240605 0.62294884
-0.00016839 -0.00022663 0.00008137
0.00527555 -0.00543424 0.00780683
-19.95453737 -0.81527659 5.27283856
0.00006829 0.00043011 0.00001174
-0.02680693 0.03062333 -0.02418604
-6.28034796 7.81689545 -25.00399760
-0.00059291 0.00022923 -0.00038487
0.00012492 -0.00629186 0.03546068
2.68614222 1.89375093 -1.78510115
-0.00052362 0.00018247 -0.00013613
0.01921147 0.02345125 -0.00833142
14.83463231 8.27503069 4.12028199
-0.00021423 0.00002341 0.00007330
-0.03659109 -0.04185941 -0.02943662
-8.28700762 -6.77372535 10.49040296
-0.00061284 0.00012170 -0.00126620
-0.00561515 0.01552580 -0.00579907
-10.01270822 -6.28293010 8.25846055
-0.00021232 0.00029229 -0.00003703
-0.00857587 -0.00342741 -0.01007354
-13.17972293 6.15825455 7.70467083
0.00041694 -0.00012509 -0.00008718
-0.00344396 -0.00054451 -0.00057006
-13.90829863 3.46136078 8.15078122
-0.00006137 0.00017621 0.00013606
0.00245776 -0.00209890 0.01520846
-15.05172541 1.77999510 4.64344156
-0.00005557 -0.00045332 -0.00066217
0.00757493 -0.00357095 -0.00615192
-17.29935487 0.76630194 3.36324398
0.00071059 0.00047074 0.00042052
-0.03419592 -0.01657503 0.00692170
3.20308662 -21.31490185 12.49938267
-0.00094269 -0.00103325 -0.00038790
-0.01589463 0.03655464 0.02530802
3.05800360 -19.28808779 15.03261382
0.00017159 0.00016515 0.00101424
-0.00917218 -0.01817389 -0.05132849
9.24997450 18.98408049 1.00457131
-0.00053972 -0.00013230 -0.00120800
0.01250973 0.02930816 -0.01697543
8.19015825 21.62580980 1.30175010
0.00063880 0.00018094 0.00040933
-0.01133303 0.02147668 0.01277662
-10.50245137 12.70282756 16.90005553
-0.00047121 -0.00117991 -0.00030293
0.00832170 -0.00847873 0.00827897
-11.76911462 14.36566741 15.05003317
0.00098580 -0.00009601 0.00107777
-0.01785310 0.03693136 -0.01069209
-5.83869729 -0.06934995 -14.31444956
-0.00058572 -0.00025446 0.00048747
0.00263033 -0.00033844 -0.00733442
-6.33198669 0.22260089 -11.50325686
-0.00050704 -0.00140676 0.00036149
-0.01079453 -0.00771628 0.01692859
-8.40686754 8.18970718 -6.30015782
0.00040723 0.00019844 -0.00032716
0.00126017 -0.00628497 -0.00535597
-10.06103886 6.12998201 -5.36685080
0.00043703 0.00030822 0.00061452
0.00968051 0.01036751 -0.02092830
-7.50285667 -1.94694837 18.11781718
-0.00025006 0.00077334 -0.00003239
0.00144533 0.04323226 -0.00146319
-7.50157062 -4.24323102 19.81991159
0.00072765 -0.00017259 0.00079531
-0.00069016 0.00173844 -0.00688932
-24.75066493 -6.44747390 -23.20762822
0.00028504 0.00005494 -0.00019660
-0.00365706 -0.01468415 -0.00397200
-22.06019696 -6.14532116 -23.25449482
0.00078893 -0.00048521 -0.00058578
0.00006190 -0.02523032 -0.00521244
8.78571367 12.99380243 4.68017976
-0.00044336 0.00052813 -0.00017995
-0.01322454 -0.00037252 0.04361196
9.09231792 11.69928897 7.45234070
-0.00034946 0.00078423 0.00011243
0.02849184 -0.03079582 0.01661561
23.36581026 27.37154961 -2.43501683
0.00157903 -0.00044401 0.00005448
0.00205573 0.02843174 -0.01742201
23.20446115 30.29986813 -1.87756656
-0.00025967 -0.00002777 0.00038375
-0.00341054 -0.00880928 -0.00296449
10.89052859 -0.72427958 -14.54455463
-0.00057335 -0.00042018 0.00008218
0.03510584 -0.01212545 0.00353317
8.14202605 -1.62940512 -14.40983096
0.00008678 0.00052555 -0.00087183
0.01179022 0.00026390 0.00189531
-9.84043526 -0.81128632 14.32102682
0.00014670 0.00024505 0.00058937
0.00418112 -0.01129812 -0.01388437
-9.50449103 -2.40461207 11.75561011
0.00091857 -0.00005920 -0.00077571
-0.01819573 -0.03497657 -0.01106601
-2.82994247 -26.36098324 12.06537920
-0.00068516 -0.00018883 0.00057043
-0.01787204 -0.00696992 0.01036915
-3.22232930 -25.82395603 9.00876908
-0.00004668 0.00014348 0.00023228
-0.00256605 -0.00121566 0.01326538
-14.60649628 -2.64999800 -6.24492964
-0.00024893 0.00048648 -0.00019496
-0.00472791 -0.01879557 -0.00392778
-16.25799296 -3.42076376 -8.45332513
0.00055882 -0.00048890 -0.00059190
0.00163365 -0.00848345 -0.00003732
-18.91212835 -9.17649538 -18.78087783
-0.00054254 0.00033567 -0.00071521
0.00050103 -0.05170135 0.00676150
-18.27079124 -12.34423572 -18.77107353
-0.00020426 -0.00025310 -0.00001973
0.01806310 0.00513353 -0.01334318
22.56200845 5.93917406 3.45953244
0.00026110 -0.00105606 0.00053425
-0.00698679 -0.00480553 0.00451122
20.37418606 6.63955419 5.29746053
-0.00064749 -0.00039318 0.00088254
0.01285648 -0.02047734 -0.00874607
18.06414385 -10.91755372 -11.86196319
0.00089000 0.00032452 -0.00080818
0.01683674 -0.01926773 -0.03869493
18.26559408 -10.75001808 -14.83861884
0.00059471 0.00014097 0.00098553
0.00260920 -0.00173888 0.00398519
-2.34195910 1.31511316 -7.33982676
0.00105400 -0.00072582 0.00068871
0.01886713 0.00752169 -0.00662123
-4.62567425 0.31647986 -6.12326636
-0.00040368 0.00044118 -0.00001923
-0.00644535 -0.00744161 0.00165217
-2.81792730 -4.47185270 -18.16450171
0.00028198 -0.00038004 -0.00115894
-0.00308496 -0.00204386 -0.00085465
-3.64403450 -1.70083017 -18.61337399
0.00006867 -0.00038452 0.00013588
-0.00264551 -0.00028359 0.00617153
13.72958419 17.32985726 -19.74038670
0.00073405 0.00070143 -0.00088080
-0.00740730 0.00431897 0.00354178
12.72350045 15.68591418 -22.02959683
0.00030373 0.00018169 -0.00030445
-0.00509967 0.00510828 0.01275074
-13.72470680 17.21380515 -11.79215523
-0.00060024 -0.00013760 0.00010904
0.02075973 -0.00207295 0.02966706
-14.65996177 15.59171832 -14.06697234
-0.00016083 -0.00004938 -0.00082534
-0.00007833 0.03790001 0.01096899
1.54260392 15.75740817 6.49676159
0.00106095 0.00008528 -0.00071670
0.01402824 -0.00366043 -0.01618716
0.15458087 15.92297210 8.77651214
0.00049038 -0.00076665 -0.00027289
-0.02017956 0.00497109 0.02693161
-5.72006683 -8.37400814 2.89109456
0.00112951 0.00125133 -0.00130286
0.00757655 -0.00148949 -0.00394806
-3.21821354 -10.15301010 2.94766080
0.00104814 -0.00116165 0.00032314
-0.01216683 0.00911525 -0.00641964
1.56842607 -3.66410069 2.99061482
-0.00118850 0.00014976 0.00038920
-0.01832155 0.03468494 0.03293596
3.09944991 -4.46588663 1.01599664
0.00083193 0.00127749 -0.00103130
0.00988793 -0.01675349 -0.00758005
8.31730929 7.84848794 3.45985211
0.00025109 -0.00014436 0.00068478
0.02580001 -0.01726747 0.02005914
11.29451709 8.00741142 4.12079698
-0.00044258 -0.00028488 -0.00089580
-0.01382179 -0.00922211 0.00393762
-7.96792833 -11.31562043 -2.40004918
0.00114313 0.00040949 0.00025104
0.02731127 -0.03168921 0.00051126
-10.22118278 -9.92558008 -1.24747508
-0.00059633 -0.00015706 0.00015504
0.00622818 0.00316309 -0.02011849
5.29651537 -15.42715811 -12.56507142
-0.00024521 -0.00062373 0.00040798
0.00458563 -0.01565363 0.00271247
2.70587238 -16.86708024 -11.99374670
0.00091041 0.00144330 -0.00002994
0.00971083 0.00320018 0.00519520
4.83525390 -5.04020645 -4.74068705
0.00039485 0.00024979 0.00075800
0.01756169 0.00536228 -0.01357604
4.93943653 -6.84908072 -2.38727921
0.00110385 0.00020772 -0.00020565
-0.02159741 0.02771074 -0.02642396
16.81291161 2.60468424 24.08183484
-0.00010084 -0.00013918 -0.00003151
-0.00946899 0.00196019 0.00429207
19.36085209 3.16138646 25.60813807
0.00039959 -0.00064244 0.00016001
-0.00775132 -0.00715407 -0.01361535
-9.59467227 1.02901312 1.42137599
-0.00005013 -0.00022362 0.00023186
-0.00797570 0.00549664 0.00582391
-9.84701217 3.79296405 2.53220993
-0.00062181 -0.00115407 0.00070090
-0.00484871 -0.00309543 -0.00075521
-5.08282097 13.69172829 -8.77353359
0.00046636 -0.00076975 0.00052444
-0.00380023 0.01148080 0.00453520
-7.70858215 12.42893722 -8.88344343
0.00024024 -0.00025623 0.00035188
-0.01800278 -0.00483395 0.00891200
0.84760302 11.81367167 -6.72388254
0.00130397 -0.00012565 0.00114370
-0.00311520 0.00645497 0.00340110
1.91732074 14.57042425 -6.43676643
-0.00045496 0.00001396 0.00110598
0.00476996 0.00249708 0.01710648
-10.50539393 8.27541090 -12.87430782
-0.00050368 -0.00080434 -0.00028962
-0.00193684 0.03448312 -0.00032785
-12.00547548 9.90498350 -11.11418620
0.00039954 -0.00012324 0.00047487
-0.00789560 0.00659086 0.01268514
7.54411743 5.13999226 13.09912202
0.00096798 0.00029378 0.00091743
0.00241501 0.00336077 -0.01179619
9.75713998 3.85268632 14.55471983
-0.00006672 0.00024440 -0.00017400
-0.00984891 0.00796273 -0.01183296
-14.12551611 10.35615200 -7.29139507
0.00020474 0.00092733 0.00119045
0.00548289 0.01253156 -0.00576820
-16.90655744 10.86484496 -7.97517461
-0.00004809 -0.00033563 0.00005486
-0.00475833 0.00587150 0.00080120
9.06614297 9.41526092 -2.27893840
0.00065745 0.00025468 0.00088239
0.00552972 0.00780709 0.00591290
7.90036601 8.20729971 -4.54980820
0.00026899 -0.00087235 0.00057643
-0.00355132 -0.01015437 -0.00002195
14.47992537 -18.99962685 -27.51862246
-0.00010753 -0.00068936 0.00053824
-0.00349702 -0.00605359 0.00668806
13.39146514 -20.38654601 -25.13325544
-0.00045086 0.00016888 0.00047324
0.00729205 0.00518779 -0.00545867
5.27868003 5.28324138 2.18901068
-0.00112617 0.00019427 -0.00002510
-0.00465165 0.01432828 -0.00322342
5.92855671 6.93244388 -0.06979756
-0.00112635 0.00034749 0.00055877
-0.01026302 0.00784094 0.00989443
19.67889413 -6.82679764 -6.76746917
0.00098024 0.00131849 0.00018097
0.01745225 -0.00618951 0.00673317
17.43971559 -5.04910429 -6.07637382
-0.00024801 0.00003416 0.00035287
0.00891476 -0.01175805 -0.02919136
-2.66012747 -0.75487452 -0.98787152
-0.00024854 0.00046101 0.00035332
0.00664178 -0.01144072 -0.00070821
-2.10635322 -1.20737938 -3.77185308
-0.00014732 -0.00023801 -0.00098693
0.00783705 -0.01745922 0.01554684
3.92405380 -3.39896977 -12.10715564
0.00059553 -0.00027424 -0.00046249
0.02057154 -0.02755925 -0.00444661
1.05307928 -2.75103009 -11.74275032
-0.00028636 -0.00010250 -0.00021225
0.01300881 0.00614883 0.00000545
19.60322002 8.25996920 -7.80912586
0.00034085 0.00040761 -0.00033462
0.00296660 0.01638956 0.02339401
20.90227436 8.41038725 -5.08951735
0.00000020 -0.00034321 0.00002467
-0.02395353 0.01531690 -0.02584267
-7.04571678 4.05376268 9.23122956
-0.00019768 0.00111056 -0.00111958
-0.00505038 0.00579238 -0.00390477
-7.60493993 6.64991843 10.59017637
0.00090591 0.00024675 -0.00037952
0.00270958 -0.00131564 0.00524457
-2.36840229 -17.78795973 11.55027428
0.00069983 -0.00001474 0.00051864
-0.00070025 -0.00023801 -0.00632723
-2.82292129 -15.25039623 10.11725294
0.00010285 -0.00041791 -0.00057188
-0.00758325 0.00135560 -0.00553523
8.40048436 -0.65836020 -2.95224007
-0.00006516 -0.00042684 0.00000178
0.03291463 0.00257580 0.05164731
7.63072403 1.22046935 -5.30750973
-0.00070396 0.00044806 -0.00042580
0.00691147 -0.01706591 0.01510035
0.41703159 -11.82663997 1.87890058
0.00002026 -0.00015173 0.00020306
-0.00643425 0.00480820 -0.00988678
-0.91213877 -10.52871599 -0.42449114
0.00018431 -0.00005005 -0.00011181
-0.00091694 -0.00020186 0.00836670
-19.72519478 -1.63436708 6.86388769
0.00028879 -0.00013678 0.00021831
0.00746608 -0.00482422 0.02646942
-21.19364978 0.53978898 5.67141171
-0.00081295 0.00028562 0.00102971
0.01748458 -0.01783398 -0.00705526
-4.95722658 8.25857532 -26.24965198
0.00076113 -0.00014331 -0.00091174
0.00755458 -0.00402423 0.01675255
-5.69884317 7.26042007 -23.27243196
0.00124671 0.00035202 -0.00039319
0.00037209 0.01530660 -0.04362927
4.31642894 1.63176437 -2.66202706
0.00015782 0.00055200 0.00014612
-0.02536118 -0.01109462 0.01398251
1.80474043 0.36084334 -1.42963083
0.00057155 -0.00093218 0.00059769
0.00060272 -0.01426427 -0.00791293
14.85442452 7.37173405 5.67583436
-0.00018181 -0.00032295 0.00041365
0.00666912 -0.00390281 0.02308383
15.74842073 9.75297895 4.22051263
-0.00053471 -0.00012322 -0.00076021
0.02698777 0.04450497 0.00922320
1.48162270 -11.77556272 -13.83382917
0.00011733 -0.00000423 -0.00017058
0.00140901 0.00476780 0.00317381
-13.56282701 14.57752635 22.69257644
0.00000146 0.00014957 0.00015420
-0.00140186 -0.00366615 0.00271014
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02502160
0.35407787
471.79101414
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1288263926
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3354144412 (a.u.)
total exchange computation time: 2.7730109692 s
-153.9977906285
-931.37716907
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1288263926
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3349878691 (a.u.)
total exchange computation time: 2.7693600655 s
-154.0027987956
Anderson extrapolation: theta=1.3720135963 (1.3720135963)
-931.37742048
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1288263926
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3343068358 (a.u.)
total exchange computation time: 2.7694089413 s
-154.0104160788
Anderson extrapolation: theta=0.0596870665 (0.0596870665)
-931.37757677
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1288263926
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3341914395 (a.u.)
total exchange computation time: 2.7721290588 s
-154.0114872207
Anderson extrapolation: theta=2.1323321799 (2.0000000000)
-931.37758406
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1288263926
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3339441207 (a.u.)
total exchange computation time: 2.7693030834 s
-154.0136887049
Anderson extrapolation: theta=0.3014528201 (0.3014528201)
-931.37759261
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1288263926
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3338751108 (a.u.)
total exchange computation time: 2.7714858055 s
-154.0142321922
Anderson extrapolation: theta=1.4150883352 (1.4150883352)
-931.37759441
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1288263926
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3338064205 (a.u.)
total exchange computation time: 2.7721750736 s
-154.0147016012
Anderson extrapolation: theta=0.3750655489 (0.3750655489)
-931.37759592
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1288263926
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3338091653 (a.u.)
total exchange computation time: 2.7691478729 s
-154.0145993967
Anderson extrapolation: theta=1.0013761124 (1.0013761124)
-931.37759622
-23.240809 -171.572753 -244.444487
-138.218787 458.431267 -804.276086
-161.459596 286.858514 -1048.720573
1099.168708
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1288263926
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3338321328 (a.u.)
total exchange computation time: 2.7715079784 s
678.37973135
-1082.97679962
89.75380859
-389.51342494
-174.68707947
77.84267639
551.60419304
0.00000000
-931.37759622
-9.25195824 -5.39834177 9.63381498
0.00013432 0.00015936 0.00035253
0.01375390 -0.01199567 0.01215729
-13.85891890 5.07252203 9.03359436
0.00010046 -0.00017744 -0.00022713
0.00804525 0.00511854 -0.00569924
-15.78610609 1.60255403 2.96615124
-0.00007362 -0.00014005 -0.00002233
0.02597973 0.02618768 -0.00274977
2.45591406 -19.68164676 13.24214468
-0.00003986 0.00001931 0.00024125
0.01948646 -0.02005598 0.02206611
9.61661326 20.81913872 0.52515589
0.00048672 0.00003474 -0.00015807
0.00319363 -0.05138856 -0.00168529
-11.10979306 12.74310001 15.16597545
-0.00013495 0.00013493 0.00015766
0.00452901 -0.03389477 -0.01658523
-6.03088879 1.17012784 -13.00624680
0.00001579 0.00012733 0.00004389
0.00960104 -0.00035814 -0.00231038
-9.00844968 6.56229273 -6.87503889
0.00028772 0.00034330 0.00007230
-0.01835670 -0.00663144 0.02169903
-7.59671005 -3.69380795 18.05294836
0.00026681 -0.00009280 -0.00014591
0.00498181 -0.04534363 0.01289144
-23.29231701 -7.55627843 -23.41002520
-0.00032232 -0.00013993 -0.00022971
0.00082629 0.04328035 -0.00420825
8.23496557 12.94342542 6.54563909
0.00058875 0.00020147 0.00014123
-0.02046558 0.04336533 -0.06460488
23.31592362 29.08406513 -3.27478923
-0.00038229 -0.00049252 0.00037066
-0.00082992 -0.01701735 0.01939760
9.24553487 -0.13926161 -14.62012083
0.00043901 0.00030252 0.00006280
-0.05432409 0.01800435 -0.00874924
-8.97778220 -1.03028875 12.70879077
-0.00032661 -0.00024670 -0.00032118
0.01585028 0.04514238 0.03258219
-2.10242012 -25.94235126 10.45869774
-0.00013013 0.00006264 0.00011592
0.02214955 0.00714815 -0.02680462
-15.16698750 -4.20843514 -7.21474308
-0.00018718 0.00032643 0.00000815
0.00370825 0.01226653 -0.00640971
-19.38626791 -10.99367315 -18.29322763
-0.00000789 -0.00005119 0.00007020
-0.01628661 0.04587137 0.00574224
21.37481174 5.19781634 4.66001858
-0.00043175 0.00056961 -0.00007304
-0.00559860 0.02274259 0.01084308
19.05063148 -11.66024806 -13.42713951
0.00074174 0.00013882 0.00028763
-0.01959444 0.01868129 0.03078629
-2.97250080 -0.23295671 -6.65866373
-0.00042483 -0.00025862 0.00021941
-0.01237139 0.00319464 0.00351395
-3.91970037 -3.17507299 -17.52870606
0.00026003 0.00008794 -0.00009222
0.00469324 0.00003934 -0.00111959
14.20342926 16.43857668 -21.23423422
-0.00012865 -0.00001930 -0.00003741
0.02200808 -0.01157539 -0.01640033
-14.71901578 17.40058880 -13.23550396
0.00035309 0.00052621 -0.00017119
-0.02747954 -0.03629060 -0.04466395
1.59474339 15.06436867 8.15446032
-0.00042468 0.00016150 -0.00039525
0.01376525 -0.01115252 -0.01418409
-4.51566009 -9.27260720 3.95787043
0.00018832 0.00016359 0.00004553
0.00683157 -0.00947749 -0.00137246
2.11884932 -5.21911411 2.36363651
-0.00006845 -0.00010949 -0.00000267
0.02021725 -0.00616662 -0.02807141
9.70123103 7.07975426 4.52533884
-0.00015512 0.00021698 -0.00022022
-0.00413221 0.02219242 -0.02567494
-9.20623979 -10.11362110 -2.81101200
-0.00020029 -0.00033754 0.00016832
-0.02755831 0.02487020 0.03705408
3.54199169 -15.59961937 -13.02031731
-0.00024372 -0.00015058 -0.00023053
-0.01659324 0.02158614 -0.01385073
3.77999080 -5.70096737 -3.42322620
-0.00013712 0.00003959 0.00040924
0.01029661 -0.03453997 0.04260299
18.42328704 1.91449996 24.56320893
-0.00008673 0.00021780 -0.00007083
0.01757300 -0.01065012 0.00325157
-8.81030407 2.68312738 1.52245294
-0.00006341 -0.00024711 -0.00001065
0.00332505 -0.00271672 -0.00833688
-6.23685446 12.79074649 -9.86440524
0.00057534 -0.00028482 0.00013568
0.00660537 -0.00876023 -0.02069918
1.63403542 13.21558825 -7.59596488
-0.00003596 0.00013111 -0.00022117
-0.00009117 -0.00920017 -0.01201591
-10.89528635 10.11390669 -12.52153747
-0.00037989 0.00001128 -0.00000884
0.00804841 -0.04500930 -0.01128927
7.94258056 4.15029275 14.55473696
-0.00034037 -0.00036304 0.00008266
0.01407667 -0.02290558 0.03027970
-15.57068173 9.64404728 -8.13167853
0.00023817 0.00036257 0.00045376
0.00744268 -0.00945647 0.00159237
8.81783280 7.78634438 -3.02599992
-0.00043121 -0.00001409 -0.00030808
-0.00208758 -0.00069073 0.00965155
14.16672071 -20.67656656 -26.78076057
0.00008550 -0.00007932 0.00003183
-0.00620625 0.00688678 0.00772881
4.99462366 7.02336472 1.55217549
0.00028180 -0.00043645 0.00024616
0.01330527 -0.01915606 -0.00171832
18.38192407 -5.85824025 -7.56069118
-0.00037428 0.00002292 -0.00017147
-0.01925746 0.01946974 0.03919513
-1.87266373 -2.04712575 -2.06671646
-0.00013029 -0.00027031 -0.00001844
-0.01095010 0.03416151 -0.00640722
2.78020642 -2.04270378 -12.02865339
-0.00004695 -0.00007965 -0.00001760
-0.02765690 0.01604482 0.00799036
19.60554407 9.35327206 -6.23458786
0.00016240 -0.00017197 0.00022304
0.02662257 -0.04182779 0.00316868
-7.50731363 5.84401747 8.96138566
-0.00021145 -0.00051854 -0.00031783
-0.00175952 0.01246218 -0.00547876
-1.86026848 -16.05106489 11.43512208
0.00019899 -0.00018050 -0.00013339
0.00469352 0.00605726 0.01036069
7.55823642 -0.46557770 -4.47106013
0.00009736 -0.00005899 -0.00056094
-0.03268200 0.03614221 -0.05497485
-0.96052154 -12.07582647 0.62419943
-0.00016538 -0.00022898 0.00008537
0.00646177 -0.00368600 0.00776140
-19.95361641 -0.80870678 5.27292130
0.00005393 0.00044607 0.00000052
-0.02902248 0.03141310 -0.01942989
-6.28924114 7.82030967 -25.00963381
-0.00059066 0.00022622 -0.00036717
0.00862299 -0.00542579 0.03337153
2.67836203 1.89657841 -1.78717518
-0.00051374 0.00019334 -0.00014049
0.01919390 0.01883195 -0.00863029
14.83127767 8.27522042 4.12126796
-0.00023342 0.00000075 0.00005898
-0.03801206 -0.04628382 -0.02625436
-8.29637235 -6.77142413 10.47123234
-0.00062778 0.00017629 -0.00128142
-0.00169403 0.01119709 -0.00165320
-10.01615577 -6.27865074 8.25759640
-0.00024534 0.00028307 -0.00007368
-0.00758869 -0.00108882 -0.00786485
-13.17357434 6.15636147 7.70334566
0.00040217 -0.00012811 -0.00008904
-0.00378686 -0.00093167 -0.00034228
-13.90914386 3.46393961 8.15328811
-0.00005133 0.00016147 0.00019448
0.00245460 -0.00511772 0.01338952
-15.05232682 1.77308589 4.63332056
-0.00001970 -0.00046585 -0.00067896
0.00998076 -0.00256305 -0.00206940
-17.28974382 0.77285507 3.36976387
0.00055719 0.00039572 0.00045098
-0.04089570 -0.02014806 0.00798802
3.18845914 -21.32928048 12.49433971
-0.00100849 -0.00087844 -0.00028112
-0.01631209 0.03922699 0.02696285
3.06029646 -19.28616743 15.04625461
0.00013201 0.00008828 0.00079738
-0.01020411 -0.01945311 -0.05482745
9.24226202 18.98299405 0.98593118
-0.00048744 -0.00001261 -0.00127640
0.01308041 0.02928379 -0.01651071
8.19939301 21.62918208 1.30828164
0.00059513 0.00026727 0.00045986
-0.01004353 0.02078221 0.01195397
-10.50926456 12.68486911 16.89576523
-0.00043453 -0.00121467 -0.00026251
0.00963579 -0.00853908 0.01150731
-11.75487475 14.36535901 15.06587211
0.00090876 0.00006690 0.00103347
-0.01985647 0.04281086 -0.01099390
-5.84740249 -0.07317729 -14.30736226
-0.00057434 -0.00025642 0.00045461
0.00294222 -0.00061837 -0.00875095
-6.33992310 0.20126299 -11.49731580
-0.00054831 -0.00142599 0.00041617
-0.00940481 -0.00169586 0.00983854
-8.40072049 8.19249114 -6.30522936
0.00041330 0.00017574 -0.00034772
0.00170951 -0.00482760 -0.00470780
-10.05418674 6.13492294 -5.35827438
0.00047896 0.00035173 0.00052577
0.01084339 0.01093518 -0.02251313
-7.50656322 -1.93402354 18.11728654
-0.00024515 0.00093161 -0.00003857
0.00095430 0.03424473 -0.00156265
-7.49067704 -4.24576665 19.83163019
0.00072404 -0.00016135 0.00075516
-0.00107820 0.00376462 -0.01276436
-24.74650137 -6.44709981 -23.21069889
0.00026645 -0.00000124 -0.00021216
-0.00544574 -0.01281633 -0.00364505
-22.04836104 -6.15337244 -23.26344132
0.00078422 -0.00059169 -0.00060713
-0.00237044 -0.02689051 -0.00523746
8.77865808 13.00171303 4.67881690
-0.00049557 0.00052527 -0.00000156
-0.01233647 -0.00102842 0.04371101
9.08794906 11.71010880 7.45453627
-0.00022504 0.00064679 0.00018747
0.03241461 -0.03648199 0.02011708
23.38955871 27.36576069 -2.43473356
0.00158550 -0.00032964 -0.00001490
0.00111221 0.02755536 -0.01653857
23.20046166 30.29918168 -1.87190120
-0.00027360 -0.00006736 0.00036900
-0.00341092 -0.01057327 -0.00425462
10.88300411 -0.73095380 -14.54321371
-0.00041682 -0.00047404 0.00009720
0.04151574 -0.01424208 0.00382015
8.14368910 -1.62151379 -14.42285033
0.00013376 0.00052629 -0.00086323
0.01120691 0.00010060 0.00231411
-9.83810670 -0.80795685 14.32944195
0.00016697 0.00019573 0.00052365
0.00574381 -0.01284296 -0.01828583
-9.49127001 -2.40657182 11.74363532
0.00084172 -0.00020620 -0.00082123
-0.01942429 -0.03698069 -0.01121473
-2.84076755 -26.36402925 12.07425334
-0.00075356 -0.00021495 0.00060369
-0.01561040 -0.00581852 0.00591557
-3.22310807 -25.82184106 9.01265977
-0.00005824 0.00013863 0.00028432
-0.00309286 -0.00116086 0.01220757
-14.61037514 -2.64327679 -6.24797439
-0.00026817 0.00041039 -0.00021161
-0.00468778 -0.01845164 -0.00422230
-16.24956052 -3.42835715 -8.46220484
0.00056195 -0.00052076 -0.00059524
-0.00010145 -0.00711446 -0.00159704
-18.92025114 -9.17304467 -18.79139882
-0.00054059 0.00012126 -0.00068645
0.00045355 -0.05325030 0.00731910
-18.27330167 -12.34787493 -18.77177841
-0.00013093 -0.00023126 -0.00007447
0.01783495 0.00555600 -0.01345059
22.56571086 5.92318596 3.46768438
0.00023617 -0.00106892 0.00054811
-0.00521703 -0.00149171 0.00227606
20.36486765 6.63302900 5.31043064
-0.00059484 -0.00047200 0.00084532
0.01291904 -0.01810383 -0.00947274
18.07800978 -10.91327637 -11.87527155
0.00095635 0.00024707 -0.00095791
0.01564268 -0.01864548 -0.03460020
18.27459468 -10.74795686 -14.82371375
0.00060329 0.00013645 0.00099457
0.00159181 -0.00047452 0.00043721
-2.32557098 1.30445628 -7.32969897
0.00113057 -0.00069476 0.00066181
0.01861663 0.00768262 -0.00654670
-4.63192689 0.32286959 -6.12350420
-0.00042753 0.00041091 -0.00001348
-0.00523165 -0.00738019 0.00116103
-2.81379206 -4.47761593 -18.18191193
0.00026227 -0.00038058 -0.00115774
-0.00656522 0.00178115 0.00143846
-3.64308554 -1.70660670 -18.61114667
0.00005877 -0.00037921 0.00015667
-0.00219921 0.00288474 0.00400556
13.74036792 17.34051112 -19.75349019
0.00070032 0.00072357 -0.00085873
-0.00910517 0.00651792 0.00726062
12.72790019 15.68879603 -22.03377292
0.00027907 0.00020117 -0.00025338
-0.00697512 0.00442643 0.01224943
-13.73307426 17.21167763 -11.78961060
-0.00051373 -0.00014697 0.00023333
0.02158878 -0.00251394 0.03117422
-14.66237669 15.59213902 -14.07901625
-0.00016019 0.00010966 -0.00077743
0.00039410 0.03995252 0.01248084
1.55894808 15.75857515 6.48551513
0.00111621 0.00006963 -0.00077669
0.01302064 -0.00399666 -0.01318175
0.16131823 15.91162466 8.77324402
0.00039269 -0.00073647 -0.00015889
-0.02764017 0.00980110 0.02887394
-5.70289199 -8.35528376 2.87143061
0.00116637 0.00123960 -0.00131283
0.01046624 -0.00425372 -0.00092851
-3.20286434 -10.17015557 2.95231125
0.00098899 -0.00111763 0.00030322
-0.01678752 0.01243181 -0.00333481
1.55003719 -3.66079138 2.99746209
-0.00125762 0.00027841 0.00051657
-0.01551261 0.02828952 0.02941421
3.11223192 -4.44723765 1.00029490
0.00085682 0.00119949 -0.00104118
0.00229381 -0.02142972 0.00274310
8.32186631 7.84579342 3.47073852
0.00034814 -0.00021059 0.00076011
0.02170485 -0.01515167 0.01681600
11.28745478 8.00285561 4.10748069
-0.00049478 -0.00032035 -0.00087986
-0.01172686 -0.00814238 0.00386572
-7.94994455 -11.31044920 -2.39626796
0.00124748 0.00028653 0.00025214
0.02377217 -0.02849918 0.00003050
-10.22993683 -9.92783905 -1.24576602
-0.00056807 -0.00014529 0.00007122
0.00760252 0.00259876 -0.02091066
5.29297778 -15.43699367 -12.55886856
-0.00022743 -0.00068582 0.00041683
0.00411449 -0.01474033 0.00161730
2.71982615 -16.84533261 -11.99403664
0.00093662 0.00143933 0.00000375
0.00311512 -0.00514368 0.01129875
4.84171480 -5.03629530 -4.72973302
0.00046174 0.00027124 0.00070545
0.01518046 0.00513813 -0.01214897
4.95533245 -6.84511573 -2.39117371
0.00101212 0.00032115 -0.00031241
-0.02330691 0.02781306 -0.02583533
16.81110886 2.60265659 24.08149367
-0.00014042 -0.00012926 -0.00001359
-0.00990442 0.00289693 0.00448176
19.36660847 3.15153058 25.61012107
0.00036749 -0.00066860 0.00010542
-0.00796516 -0.00564917 -0.01311111
-9.59566858 1.02582719 1.42503230
-0.00008177 -0.00020279 0.00025468
-0.00751608 0.00469931 0.00534689
-9.85648793 3.77555820 2.54270035
-0.00063903 -0.00116672 0.00069621
-0.00357770 -0.00310003 -0.00154465
-5.07594208 13.68053384 -8.76552799
0.00045161 -0.00072253 0.00054306
-0.00341616 0.01163642 0.00457804
-7.70553014 12.42494560 -8.87789220
0.00017254 -0.00027423 0.00038379
-0.01513943 -0.00397412 0.00671118
0.86706711 11.81198466 -6.70662280
0.00129253 -0.00009766 0.00115356
-0.00248663 0.00724736 0.00142341
1.91064245 14.57071018 -6.41965253
-0.00043579 0.00001711 0.00116677
0.00461808 -0.00095510 0.01265201
-10.51300841 8.26440241 -12.87866222
-0.00051320 -0.00065511 -0.00028909
-0.00272516 0.03856853 0.00058743
-11.99972433 9.90333686 -11.10667449
0.00036663 -0.00009635 0.00052764
-0.00821212 0.00656988 0.01314730
7.55871114 5.14450188 13.11252198
0.00097312 0.00031368 0.00086125
0.00010271 0.00638059 -0.01570394
9.75583734 3.85659632 14.55174725
-0.00010872 0.00027594 -0.00022010
-0.01071021 0.00747464 -0.01073351
-14.12227701 10.37044594 -7.27371504
0.00022017 0.00097543 0.00116276
0.00207068 0.01101249 -0.00778942
-16.90742463 10.85999038 -7.97432719
-0.00007044 -0.00030845 0.00005863
-0.00617979 0.00743714 0.00104457
9.07617411 9.41932040 -2.26552137
0.00067650 0.00027288 0.00089761
0.00379902 0.00110037 0.00153727
7.90429200 8.19390332 -4.54116247
0.00024488 -0.00090672 0.00056070
-0.00824887 -0.00667137 -0.00767497
14.47820533 -19.01015279 -27.51034393
-0.00011949 -0.00070397 0.00056042
-0.00235917 -0.00109817 0.00416866
13.38492576 -20.38385389 -25.12632410
-0.00041713 0.00018798 0.00044285
0.00921562 0.00416376 -0.00941686
5.26164491 5.28659455 2.18853545
-0.00114190 0.00024289 -0.00003565
-0.00304654 0.00946959 -0.00194305
5.91134701 6.93789645 -0.06111276
-0.00116097 0.00037732 0.00058839
-0.00668355 0.00676439 0.00460488
19.69413252 -6.80720998 -6.76454823
0.00104571 0.00129732 0.00020413
0.01459694 -0.00417408 0.00460314
17.43626860 -5.04895216 -6.07197535
-0.00021126 -0.00001432 0.00023124
0.00907373 -0.01197512 -0.03034474
-2.66365207 -0.74830998 -0.98259341
-0.00021704 0.00040743 0.00034332
0.00877618 -0.01478696 -0.00418796
-2.10832286 -1.21148447 -3.78618068
-0.00011523 -0.00031184 -0.00091531
0.00787211 -0.01868220 0.01951428
3.93361708 -3.40392791 -12.11422926
0.00067176 -0.00037816 -0.00047994
0.01674310 -0.02331043 -0.00409634
1.04918246 -2.75237912 -11.74593389
-0.00023160 -0.00007767 -0.00021236
0.01379830 0.00600400 -0.00006193
19.60842370 8.26658554 -7.81342830
0.00035282 0.00047444 -0.00023794
0.00289303 0.01632733 0.02393287
20.90154332 8.40570841 -5.08993927
-0.00009651 -0.00028136 -0.00008016
-0.02338344 0.01496306 -0.02546827
-7.04883679 4.07059855 9.21431620
-0.00021321 0.00111343 -0.00113051
-0.00255081 -0.00438713 -0.00144462
-7.59126822 6.65357941 10.58464427
0.00091731 0.00023883 -0.00036176
0.00287202 -0.00256076 0.00345084
-2.35792630 -17.78818817 11.55785997
0.00069557 -0.00001984 0.00049271
-0.00138486 -0.00225952 -0.00636297
-2.82161088 -15.25662341 10.10850506
0.00007440 -0.00041499 -0.00059065
-0.00634520 0.00007762 -0.00364852
8.40051559 -0.66468381 -2.95063076
0.00006367 -0.00041431 0.00020318
0.03014682 0.00355526 0.04694002
7.62037640 1.22666736 -5.31343402
-0.00067501 0.00037483 -0.00036221
0.00725891 -0.01878017 0.01602894
0.41713836 -11.82876858 1.88164346
-0.00000775 -0.00013290 0.00016132
-0.00727645 0.00441074 -0.01054587
-0.90940228 -10.52947300 -0.42591193
0.00017977 -0.00005312 -0.00007600
-0.00130281 -0.00129761 0.00916447
-19.72063411 -1.63656660 6.86797349
0.00031816 -0.00015275 0.00031925
0.00690807 -0.00299512 0.02293814
-21.20530829 0.54352682 5.68664122
-0.00073593 0.00020742 0.00099853
0.02021660 -0.02044600 -0.00820685
-4.94557810 8.25630242 -26.26281471
0.00077990 -0.00016208 -0.00083585
0.00163172 -0.00516374 0.02039519
-5.68013105 7.26616946 -23.27966668
0.00124373 0.00041531 -0.00057439
-0.00183422 0.01567381 -0.04507323
4.31801913 1.63970436 -2.65940682
0.00005054 0.00050754 0.00020534
-0.02715344 -0.01066632 0.01500543
1.81333216 0.34642360 -1.42090789
0.00057797 -0.00098150 0.00056372
0.00254178 -0.00987944 -0.00871782
14.85190168 7.36677018 5.68274653
-0.00015416 -0.00033348 0.00050059
0.00686642 -0.00125093 0.01947203
15.74122714 9.75249435 4.20939211
-0.00042193 0.00006248 -0.00072170
0.02821436 0.04639639 0.00962993
1.48338648 -11.77561343 -13.83637938
0.00011786 -0.00000251 -0.00016945
0.00151831 0.00485730 0.00316275
-13.56280753 14.57976345 22.69489417
0.00000111 0.00014872 0.00015482
-0.00161772 -0.00362277 0.00265290
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02420382
0.35339240
470.87766038
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1288263926
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3303759537 (a.u.)
total exchange computation time: 2.7709360123 s
-153.9744933941
-931.37627234
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3298723993 (a.u.)
total exchange computation time: 2.6393971443 s
-153.9793898000
Anderson extrapolation: theta=1.3628530486 (1.3628530486)
-931.37649942
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3290899826 (a.u.)
total exchange computation time: 2.6412470341 s
-153.9869781597
Anderson extrapolation: theta=0.0674112052 (0.0674112052)
-931.37666008
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3289287679 (a.u.)
total exchange computation time: 2.6411900520 s
-153.9882099511
Anderson extrapolation: theta=2.0743120752 (2.0000000000)
-931.37666864
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3285745225 (a.u.)
total exchange computation time: 2.6385009289 s
-153.9907731012
Anderson extrapolation: theta=0.2889664482 (0.2889664482)
-931.37667944
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3284677263 (a.u.)
total exchange computation time: 2.6376409531 s
-153.9914249266
Anderson extrapolation: theta=1.4615487875 (1.4615487875)
-931.37668219
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3283390250 (a.u.)
total exchange computation time: 2.6396701336 s
-153.9920870293
Anderson extrapolation: theta=0.3269130580 (0.3269130580)
-931.37668527
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3283253793 (a.u.)
total exchange computation time: 2.6391098499 s
-153.9920326706
Anderson extrapolation: theta=1.0616382237 (1.0616382237)
-931.37668623
-23.188694 -171.551505 -244.433420
-138.171640 458.407975 -804.273980
-161.360335 286.856470 -1048.707400
1099.141029
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3283324213 (a.u.)
total exchange computation time: 2.6383299828 s
678.30268685
-1082.80145247
89.75741884
-389.63370357
-174.67330428
77.74510220
551.60419304
0.00000000
-931.37668705
-9.24989034 -5.39599766 9.63914986
0.00014000 0.00015385 0.00035701
0.00830887 -0.00942261 0.00527510
-13.85738103 5.06988023 9.03016543
0.00010460 -0.00017388 -0.00022961
0.00806981 0.00871984 -0.00394734
-15.78711011 1.60055429 2.96580573
-0.00005951 -0.00012620 -0.00002502
0.02887952 0.02766560 -0.00773234
2.45539129 -19.68143447 13.24584851
-0.00002968 0.00000872 0.00025285
0.02011337 -0.02114284 0.02305775
9.62392644 20.81946155 0.52277835
0.00048769 0.00000878 -0.00015882
0.00056207 -0.04955846 -0.00124375
-11.11179979 12.74499324 15.16827639
-0.00013258 0.00011653 0.00014845
0.00465891 -0.03767816 -0.01925102
-6.03061496 1.17203643 -13.00559740
0.00002032 0.00012564 0.00004473
0.00803388 -0.00622135 0.00560128
-9.00420466 6.56741673 -6.87387069
0.00027792 0.00033937 0.00008349
-0.01976910 -0.00867044 0.02181677
-7.59268873 -3.69537490 18.05080940
0.00026962 -0.00011403 -0.00013790
0.00594831 -0.03721907 0.01825645
-23.29714866 -7.55821039 -23.41348707
-0.00032079 -0.00011794 -0.00023196
0.00511279 0.04222083 -0.00455994
8.24371794 12.94661471 6.54750830
0.00057721 0.00022506 0.00010759
-0.02443005 0.04837223 -0.06620400
23.31018612 29.07661165 -3.26915457
-0.00038255 -0.00050051 0.00038063
-0.00019980 -0.01405352 0.01939107
9.25191044 -0.13465443 -14.61921258
0.00041012 0.00031224 0.00005816
-0.05800560 0.01979481 -0.00930053
-8.98262017 -1.03381512 12.70409879
-0.00031863 -0.00022304 -0.00030368
0.01516912 0.04684908 0.03546408
-2.10428662 -25.94138408 10.46033313
-0.00011914 0.00006596 0.00010371
0.02059187 0.00576694 -0.02067267
-15.16978096 -4.20349136 -7.21464559
-0.00018483 0.00033207 0.00000524
0.00545364 0.00964981 -0.00488187
-19.38644907 -10.99426400 -18.29215248
-0.00001614 -0.00002767 0.00007300
-0.01579980 0.04557290 0.00513275
21.36831395 5.20644815 4.65896473
-0.00043504 0.00057970 -0.00006677
-0.00722464 0.01650026 0.01355070
19.06168196 -11.65809366 -13.42270624
0.00073234 0.00014778 0.00030310
-0.01693353 0.01615100 0.02934117
-2.97892102 -0.23682368 -6.65535909
-0.00043130 -0.00025689 0.00022126
-0.01278111 0.00352740 0.00370492
-3.91578179 -3.17375367 -17.53009372
0.00026314 0.00008616 -0.00009281
0.00737376 -0.00697364 -0.00117086
14.20158446 16.43824258 -21.23485867
-0.00011638 -0.00002558 -0.00004656
0.02567225 -0.01287681 -0.01915900
-14.71382540 17.40834204 -13.23824405
0.00033889 0.00050719 -0.00019447
-0.02775231 -0.03770955 -0.04586263
1.58842625 15.06674814 8.14847686
-0.00041559 0.00015476 -0.00040384
0.02160769 -0.01506083 -0.01920448
-4.51280896 -9.27018986 3.95854803
0.00019216 0.00015859 0.00004332
0.00809128 -0.00996445 -0.00720934
2.11790057 -5.22078021 2.36348814
-0.00005717 -0.00010971 -0.00001840
0.02364168 0.00530459 -0.03308934
9.69888824 7.08309449 4.52193654
-0.00015655 0.00022737 -0.00023232
-0.00140464 0.01823161 -0.02137349
-9.20935049 -10.11858830 -2.80834428
-0.00021360 -0.00032567 0.00018760
-0.02419390 0.02128608 0.03793564
3.53827185 -15.60179485 -13.02382869
-0.00025028 -0.00013756 -0.00023906
-0.00889310 0.02907451 -0.01933723
3.77797375 -5.70050683 -3.41692328
-0.00013103 0.00002200 0.00043062
0.01336637 -0.03383446 0.04054323
18.42205381 1.91772585 24.56215903
-0.00007768 0.00021175 -0.00006942
0.01762915 -0.01287509 0.00221715
-8.81124242 2.67941024 1.52226100
-0.00006215 -0.00024830 -0.00001461
0.00158161 -0.00191175 -0.00707343
-6.22819893 12.78644042 -9.86244994
0.00057778 -0.00028966 0.00012567
0.00290546 -0.01004655 -0.01821666
1.63349562 13.21751935 -7.59932871
-0.00003611 0.00012711 -0.00022561
-0.00046889 -0.00632245 -0.00525679
-10.90095360 10.11390231 -12.52171356
-0.00037558 -0.00001265 -0.00001479
0.00868265 -0.04807244 -0.01186064
7.93752932 4.14475880 14.55609372
-0.00033247 -0.00037530 0.00009877
0.01665819 -0.02475533 0.03235168
-15.56708046 9.64944939 -8.12486597
0.00024316 0.00035776 0.00045501
0.01194536 -0.00924811 0.00325483
8.81135661 7.78613030 -3.03058382
-0.00043051 -0.00001370 -0.00029995
0.00481833 0.00222767 0.02195300
14.16797934 -20.67772980 -26.78025326
0.00008153 -0.00007687 0.00003741
-0.00923499 0.00265572 0.01394826
4.99890195 7.01674415 1.55586123
0.00028722 -0.00044457 0.00024640
0.00776668 -0.01243575 0.00265148
18.37623560 -5.85782131 -7.56311211
-0.00038327 0.00003240 -0.00015056
-0.01570695 0.01739887 0.04215253
-1.87466031 -2.05104858 -2.06701775
-0.00013638 -0.00025179 -0.00002179
-0.01273841 0.03784326 -0.00663157
2.77939555 -2.04383659 -12.02888656
-0.00006016 -0.00007260 -0.00001361
-0.02373301 0.01135973 0.00752852
19.60808284 9.35053117 -6.23123004
0.00017581 -0.00019328 0.00022450
0.02550904 -0.04104463 0.00251407
-7.51049222 5.83628751 8.95659706
-0.00021315 -0.00050883 -0.00032072
-0.00484021 0.02529243 -0.00576418
-1.85726560 -16.05374910 11.43316115
0.00020123 -0.00017652 -0.00012856
0.00401944 0.00944571 0.00844721
7.55957070 -0.46632312 -4.47968635
0.00008152 -0.00004033 -0.00058750
-0.02890154 0.03640465 -0.04830583
-0.96297724 -12.07927534 0.62550990
-0.00016180 -0.00023046 0.00008931
0.00742255 -0.00206716 0.00755260
-19.95291936 -0.80189463 5.27285414
0.00003862 0.00046214 -0.00000813
-0.03051152 0.03111438 -0.01418796
-6.29806780 7.82368203 -25.01501257
-0.00058420 0.00022368 -0.00035067
0.01651116 -0.00444853 0.03076378
2.67072992 1.89955117 -1.78931579
-0.00050407 0.00020174 -0.00014486
0.01843851 0.01383262 -0.00838628
14.82762978 8.27505308 4.12205139
-0.00025295 -0.00002364 0.00004645
-0.03792492 -0.04855217 -0.02248926
-8.30584090 -6.76843668 10.45196039
-0.00062594 0.00021185 -0.00127928
0.00259445 0.00621099 0.00270013
-10.02006840 -6.27443811 8.25625025
-0.00027404 0.00028363 -0.00010081
-0.00646214 0.00136480 -0.00541661
-13.16765782 6.15441129 7.70199951
0.00038607 -0.00013268 -0.00009012
-0.00409663 -0.00130759 -0.00018327
-13.90983865 3.46620478 8.15661558
-0.00004132 0.00013417 0.00024528
0.00244652 -0.00824559 0.01147843
-15.05231654 1.76601960 4.62307273
0.00002603 -0.00047432 -0.00067882
0.01240733 -0.00158088 0.00213687
-17.28263912 0.77817341 3.37677332
0.00037950 0.00030782 0.00048528
-0.04608529 -0.02287885 0.00880460
3.17283195 -21.34125504 12.49094919
-0.00107514 -0.00071438 -0.00016846
-0.01631575 0.04108025 0.02818443
3.06196395 -19.28543927 15.05653523
0.00008899 0.00000687 0.00056886
-0.01085486 -0.02039831 -0.05703380
9.23535118 18.98370230 0.96627918
-0.00043325 0.00010555 -0.00134247
0.01344709 0.02855242 -0.01583118
8.20801224 21.63382802 1.31554579
0.00055790 0.00034993 0.00050635
-0.00818196 0.01968012 0.01080256
-10.51548721 12.66638733 16.89218017
-0.00039287 -0.00124961 -0.00020971
0.01075537 -0.00856054 0.01434051
-11.74185180 14.36767432 15.08103727
0.00082541 0.00024974 0.00098862
-0.02094420 0.04669293 -0.01096213
-5.85592737 -0.07704252 -14.30081127
-0.00056174 -0.00025921 0.00041643
0.00322493 -0.00075025 -0.00993597
-6.34843588 0.17982116 -11.49077178
-0.00058383 -0.00142070 0.00044239
-0.00798480 0.00428474 0.00299879
-8.39446867 8.19497925 -6.31058942
0.00042133 0.00015927 -0.00036561
0.00222264 -0.00323341 -0.00404922
-10.04667006 6.14053404 -5.35107771
0.00052471 0.00039713 0.00043177
0.01155235 0.01128771 -0.02350044
-7.51021129 -1.91899998 18.11666013
-0.00024219 0.00105092 -0.00004525
0.00049831 0.02415648 -0.00170678
-7.47984953 -4.24807157 19.84256652
0.00071883 -0.00014231 0.00069243
-0.00146785 0.00555482 -0.01794467
-24.74267156 -6.44751119 -23.21399295
0.00024033 -0.00004935 -0.00022632
-0.00733760 -0.01073309 -0.00328916
-22.03667040 -6.16307175 -23.27270880
0.00077021 -0.00070380 -0.00062838
-0.00448703 -0.02799128 -0.00516540
8.77084644 13.00956061 4.68013292
-0.00054361 0.00051976 0.00017523
-0.01117944 -0.00167193 0.04283044
9.08556677 11.71869280 7.45796475
-0.00008692 0.00048932 0.00027461
0.03519352 -0.04060279 0.02253948
23.41337533 27.36166054 -2.43546387
0.00158824 -0.00021998 -0.00008013
0.00022710 0.02612212 -0.01539216
23.19625314 30.29784724 -1.86649660
-0.00028753 -0.00011373 0.00034939
-0.00340950 -0.01212511 -0.00534200
10.87802397 -0.73850086 -14.54163868
-0.00023820 -0.00053524 0.00011323
0.04591825 -0.01571334 0.00402604
8.14603899 -1.61361629 -14.43572787
0.00017804 0.00052612 -0.00085295
0.01046502 -0.00018495 0.00271740
-9.83542612 -0.80541447 14.33673643
0.00019288 0.00014043 0.00044147
0.00693832 -0.01422432 -0.02194608
-9.47923943 -2.41079799 11.73097322
0.00076131 -0.00035816 -0.00086527
-0.01993805 -0.03740710 -0.01034516
-2.85254933 -26.36743186 12.08349003
-0.00081230 -0.00023623 0.00061836
-0.01314361 -0.00459526 0.00126473
-3.22407639 -25.81979724 9.01729861
-0.00007224 0.00013407 0.00033149
-0.00376005 -0.00106828 0.01088372
-14.61454131 -2.63768641 -6.25127791
-0.00028715 0.00033641 -0.00022878
-0.00460657 -0.01775954 -0.00418267
-16.24113431 -3.43638656 -8.47118243
0.00055790 -0.00054684 -0.00060531
-0.00188568 -0.00565010 -0.00333034
-18.92834614 -9.17285748 -18.80147125
-0.00053838 -0.00009720 -0.00065589
0.00062842 -0.05368651 0.00764124
-18.27471907 -12.35117363 -18.77330763
-0.00005934 -0.00020708 -0.00012927
0.01720858 0.00628325 -0.01337583
22.56909354 5.90710645 3.47597581
0.00021888 -0.00106832 0.00055269
-0.00324830 0.00178755 -0.00003301
20.35634099 6.62539430 5.32282021
-0.00054274 -0.00054004 0.00080577
0.01258274 -0.01520240 -0.00988798
18.09283439 -10.91014173 -11.89070043
0.00101688 0.00017299 -0.00108914
0.01398886 -0.01761294 -0.02963646
18.28369282 -10.74592472 -14.80878187
0.00060768 0.00013717 0.00098890
0.00055703 0.00082939 -0.00321087
-2.30804192 1.29427023 -7.31997240
0.00120533 -0.00066433 0.00063585
0.01797743 0.00721425 -0.00616191
-4.63850016 0.32880702 -6.12367088
-0.00044616 0.00038098 -0.00000983
-0.00388718 -0.00727011 0.00062927
-2.81005918 -4.48327000 -18.19923399
0.00022887 -0.00036596 -0.00114731
-0.00978288 0.00537406 0.00366625
-3.64227137 -1.71220643 -18.60867388
0.00005075 -0.00036076 0.00016842
-0.00172662 0.00614460 0.00174526
13.75059364 17.35156443 -19.76614870
0.00066011 0.00075434 -0.00082238
-0.01057624 0.00854098 0.01053616
12.73187246 15.69194916 -22.03719829
0.00024663 0.00021775 -0.00020457
-0.00890438 0.00369103 0.01164572
-13.74011862 17.20939604 -11.78515542
-0.00042600 -0.00015780 0.00036059
0.02135373 -0.00278652 0.03112168
-14.66476746 15.59500825 -14.09029526
-0.00015761 0.00027558 -0.00072397
0.00086643 0.04126276 0.01368772
1.57609023 15.75949719 6.47346081
0.00116695 0.00005242 -0.00082347
0.01181799 -0.00442843 -0.00971529
0.16636164 15.90087789 8.77174548
0.00026620 -0.00068747 -0.00003784
-0.03427764 0.01418832 0.03038006
-5.68507573 -8.33682008 2.85170976
0.00121443 0.00121673 -0.00131045
0.01306166 -0.00694245 0.00209214
-3.18854399 -10.18653914 2.95675732
0.00091210 -0.00106068 0.00029506
-0.02084965 0.01544807 -0.00065715
1.53069760 -3.65574831 3.00611204
-0.00131394 0.00037883 0.00062833
-0.01205848 0.02086314 0.02529212
3.12515450 -4.42990202 0.98476128
0.00085225 0.00110360 -0.00101119
-0.00453018 -0.02550772 0.01193575
8.32775353 7.84217031 3.48265551
0.00042661 -0.00026714 0.00082089
0.01670418 -0.01253114 0.01293674
11.27967377 7.99780079 4.09440131
-0.00053764 -0.00035101 -0.00086447
-0.00925245 -0.00686364 0.00366772
-7.93050386 -11.30702459 -2.39248486
0.00133515 0.00017823 0.00025066
0.01913949 -0.02451131 -0.00075455
-10.23822496 -9.92993875 -1.24533849
-0.00053493 -0.00013568 -0.00001456
0.00862327 0.00210416 -0.02107687
5.28969235 -15.44773260 -12.55256658
-0.00021182 -0.00074403 0.00042090
0.00352909 -0.01375324 0.00037681
2.73397084 -16.82390022 -11.99363412
0.00093538 0.00140084 0.00006327
-0.00371744 -0.01369844 0.01783528
4.84910604 -5.03206925 -4.71952356
0.00051963 0.00029227 0.00065681
0.01315616 0.00515500 -0.01166139
4.96979998 -6.83944617 -2.39665155
0.00091465 0.00043366 -0.00041566
-0.02440133 0.02726139 -0.02470355
16.80869910 2.60080649 24.08142716
-0.00018116 -0.00011583 0.00000527
-0.01003874 0.00367413 0.00475237
19.37187669 3.14132848 25.61130055
0.00033494 -0.00068820 0.00005337
-0.00796774 -0.00394330 -0.01236761
-9.59712552 1.02292927 1.42901630
-0.00011150 -0.00018537 0.00027544
-0.00703296 0.00383069 0.00481887
-9.86618296 3.75796237 2.55309611
-0.00065087 -0.00117936 0.00068816
-0.00221929 -0.00308514 -0.00239417
-5.06927256 13.67005253 -8.75724182
0.00043811 -0.00067498 0.00056152
-0.00319162 0.01163728 0.00445679
-7.70340597 12.42071042 -8.87192967
0.00011740 -0.00028844 0.00040616
-0.01185116 -0.00298135 0.00423931
0.88637880 11.81074181 -6.68927583
0.00128364 -0.00006641 0.00115517
-0.00186347 0.00804923 -0.00063523
1.90424718 14.57093757 -6.40176324
-0.00041711 0.00000622 0.00120899
0.00452283 -0.00437699 0.00801199
-10.52078990 8.25575764 -12.88298062
-0.00052551 -0.00049134 -0.00028517
-0.00330228 0.04159540 0.00133536
-11.99447646 9.90209286 -11.09835703
0.00033321 -0.00006949 0.00058134
-0.00815116 0.00658018 0.01313863
7.57331116 5.14940254 13.12495950
0.00096922 0.00034520 0.00079047
-0.00201305 0.00905250 -0.01894414
9.75387831 3.86096441 14.54811686
-0.00015337 0.00030515 -0.00026157
-0.01114410 0.00682765 -0.00956455
-14.11891102 10.38541480 -7.25651239
0.00022181 0.00101728 0.00112683
-0.00126797 0.00947270 -0.00979682
-16.90867056 10.85559160 -7.97341576
-0.00009809 -0.00027540 0.00006331
-0.00735442 0.00873828 0.00124522
9.08643808 9.42344731 -2.25201014
0.00068826 0.00026418 0.00089488
0.00195581 -0.00535971 -0.00287478
7.90771244 8.18009807 -4.53298710
0.00020125 -0.00092677 0.00051305
-0.01311119 -0.00314086 -0.01565096
14.47634070 -19.02074602 -27.50180990
-0.00012665 -0.00069771 0.00057197
-0.00114838 0.00416559 0.00148490
13.37895117 -20.38090659 -25.11996989
-0.00037599 0.00020298 0.00039728
0.01092188 0.00317962 -0.01289116
5.24442308 5.29052808 2.18794114
-0.00115113 0.00027057 -0.00004066
-0.00147064 0.00408007 -0.00051121
5.89372770 6.94376358 -0.05214574
-0.00118059 0.00040279 0.00059530
-0.00292086 0.00570066 -0.00122385
19.71026550 -6.78787814 -6.76134519
0.00109835 0.00128489 0.00021801
0.01117035 -0.00191072 0.00219233
17.43337771 -5.04953395 -6.06943660
-0.00017457 -0.00006305 0.00010621
0.00888831 -0.01187534 -0.03086078
-2.66663880 -0.74265167 -0.97757197
-0.00017747 0.00034115 0.00031991
0.01059575 -0.01765698 -0.00726837
-2.10981005 -1.21673452 -3.79931232
-0.00008325 -0.00038990 -0.00082881
0.00778183 -0.01953174 0.02282550
3.94420648 -3.41031466 -12.12155393
0.00073104 -0.00046330 -0.00049582
0.01227448 -0.01836233 -0.00367687
1.04613129 -2.75336018 -11.74912126
-0.00017436 -0.00005375 -0.00021263
0.01421993 0.00570300 -0.00006719
19.61380469 8.27420252 -7.81626399
0.00036441 0.00054030 -0.00014023
0.00277745 0.01590995 0.02389619
20.89937919 8.40194659 -5.09192205
-0.00018989 -0.00022155 -0.00018254
-0.02232933 0.01431273 -0.02464973
-7.05211313 4.08716554 9.19731432
-0.00021784 0.00107289 -0.00113138
0.00028383 -0.01545715 0.00101768
-7.57742050 6.65708344 10.57932365
0.00092929 0.00022564 -0.00035160
0.00298825 -0.00389953 0.00152194
-2.34753519 -17.78855508 11.56505569
0.00068860 -0.00003302 0.00046669
-0.00202491 -0.00418749 -0.00637651
-2.82068934 -15.26284583 10.09953357
0.00005124 -0.00041742 -0.00060137
-0.00498891 -0.00126888 -0.00160035
8.40239440 -0.67078953 -2.94614469
0.00017893 -0.00039733 0.00038122
0.02627395 0.00475536 0.04021271
7.61047364 1.23171440 -5.31837596
-0.00064463 0.00029594 -0.00029553
0.00761452 -0.01984085 0.01661139
0.41679917 -11.83062688 1.88374003
-0.00003874 -0.00011570 0.00011737
-0.00789477 0.00400536 -0.01096720
-0.90674562 -10.53030953 -0.42677107
0.00017362 -0.00006043 -0.00003717
-0.00170741 -0.00228253 0.00984222
-19.71565007 -1.63894969 6.87346508
0.00034505 -0.00016056 0.00040459
0.00625699 -0.00082613 0.01883721
-21.21572780 0.54601160 5.70136776
-0.00064901 0.00012000 0.00096295
0.02233455 -0.02234571 -0.00921099
-4.93382963 8.25371304 -26.27472750
0.00077522 -0.00018499 -0.00074624
-0.00392366 -0.00605435 0.02347127
-5.66153135 7.27287944 -23.28966376
0.00123218 0.00047942 -0.00075939
-0.00381703 0.01570740 -0.04548140
4.31794518 1.64699065 -2.65586696
-0.00006250 0.00046476 0.00026783
-0.02818063 -0.01027367 0.01558788
1.82207966 0.33139839 -1.41271923
0.00059227 -0.00101217 0.00052630
0.00445628 -0.00513493 -0.00959835
14.84979966 7.36172965 5.69085207
-0.00012578 -0.00033280 0.00057202
0.00702798 0.00158351 0.01549474
15.73576269 9.75485321 4.19886176
-0.00030704 0.00025125 -0.00068188
0.02802906 0.04601216 0.00985850
1.48515840 -11.77563806 -13.83891261
0.00011842 -0.00000076 -0.00016832
0.00164003 0.00494694 0.00313634
-13.56279368 14.58198793 22.69722113
0.00000071 0.00014789 0.00015542
-0.00185060 -0.00356492 0.00253554
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02412362
0.35256343
469.77309416
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3247545129 (a.u.)
total exchange computation time: 2.6069028378 s
-153.9558175798
-931.37541683
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3243645732 (a.u.)
total exchange computation time: 2.6071960926 s
-153.9602847648
Anderson extrapolation: theta=1.3486141283 (1.3486141283)
-931.37566906
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3237264516 (a.u.)
total exchange computation time: 2.6053371429 s
-153.9671316633
Anderson extrapolation: theta=0.0512160358 (0.0512160358)
-931.37582141
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3236023883 (a.u.)
total exchange computation time: 2.6100261211 s
-153.9681859422
Anderson extrapolation: theta=1.9063363784 (1.9063363784)
-931.37582737
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3233343096 (a.u.)
total exchange computation time: 2.6067271233 s
-153.9703545837
Anderson extrapolation: theta=0.2121233754 (0.2121233754)
-931.37583390
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3232659871 (a.u.)
total exchange computation time: 2.6039910316 s
-153.9708186492
Anderson extrapolation: theta=1.8952195373 (1.8952195373)
-931.37583524
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3231563719 (a.u.)
total exchange computation time: 2.6076381207 s
-153.9714724042
Anderson extrapolation: theta=0.2840725055 (0.2840725055)
-931.37583717
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3231462720 (a.u.)
total exchange computation time: 2.6056191921 s
-153.9714408185
Anderson extrapolation: theta=1.3338655334 (1.3338655334)
-931.37583770
-23.135122 -171.531993 -244.414727
-138.124233 458.384364 -804.271747
-161.259356 286.852371 -1048.686474
1099.105174
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3231489164 (a.u.)
total exchange computation time: 2.6046450138 s
678.22986689
-1082.63590705
89.76094744
-389.74725150
-174.66034510
77.65329049
551.60419304
0.00000000
-931.37583823
-9.24775834 -5.39372625 9.64452543
0.00014278 0.00014979 0.00035791
0.00251791 -0.00635091 -0.00179159
-13.85578091 5.06730571 9.02670604
0.00010874 -0.00016848 -0.00023116
0.00804864 0.01228174 -0.00208794
-15.78789134 1.59876798 2.96540056
-0.00004438 -0.00011185 -0.00003018
0.02996324 0.02812846 -0.01231279
2.45502369 -19.68138529 13.24973022
-0.00001936 -0.00000231 0.00026476
0.02000904 -0.02174804 0.02324718
9.63124396 20.81940205 0.52039122
0.00048723 -0.00001595 -0.00015933
-0.00234674 -0.04661144 -0.00073043
-11.11377059 12.74659580 15.17042882
-0.00013034 0.00009675 0.00013793
0.00405781 -0.03921603 -0.02165086
-6.03027915 1.17389702 -13.00490478
0.00002406 0.00012095 0.00004946
0.00650536 -0.01199967 0.01275821
-9.00011215 6.57247383 -6.87253418
0.00026749 0.00033442 0.00009458
-0.02077045 -0.01057345 0.02132569
-7.58862153 -3.69722898 18.04881127
0.00027289 -0.00013089 -0.00012733
0.00678397 -0.02833493 0.02286867
-23.30194086 -7.55981663 -23.41698412
-0.00031715 -0.00009669 -0.00023442
0.00905867 0.04042057 -0.00499127
8.25228183 12.95017718 6.54886676
0.00056392 0.00025071 0.00007375
-0.02724154 0.05138562 -0.06540227
23.30444707 29.06904975 -3.26337031
-0.00038252 -0.00050690 0.00039047
0.00034057 -0.01079675 0.01889073
9.25783853 -0.12989454 -14.61837607
0.00037999 0.00032270 0.00005326
-0.05918059 0.02089106 -0.00973983
-8.98734112 -1.03698007 12.69968040
-0.00031108 -0.00019897 -0.00028518
0.01420460 0.04675818 0.03645888
-2.10599427 -25.94037241 10.46180904
-0.00010896 0.00006855 0.00009471
0.01900749 0.00429865 -0.01430799
-15.17253236 -4.19847313 -7.21458576
-0.00018169 0.00033627 0.00000312
0.00676444 0.00670312 -0.00336036
-19.38675211 -10.99450326 -18.29103774
-0.00002409 -0.00000467 0.00007550
-0.01512785 0.04386380 0.00460553
21.36176043 5.21520725 4.65801542
-0.00043910 0.00058648 -0.00005921
-0.00854132 0.00988169 0.01587224
19.07260179 -11.65581467 -13.41804661
0.00072445 0.00015533 0.00031758
-0.01377633 0.01321830 0.02697392
-2.98543984 -0.24066343 -6.65202586
-0.00043789 -0.00025485 0.00022314
-0.01284607 0.00441700 0.00359278
-3.91180632 -3.17248815 -17.53149041
0.00026752 0.00008087 -0.00009339
0.00969010 -0.01360444 -0.00107954
14.19993771 16.43780914 -21.23563092
-0.00010231 -0.00003246 -0.00005694
0.02905041 -0.01385413 -0.02121392
-14.70884912 17.41580436 -13.24133796
0.00032480 0.00048756 -0.00021786
-0.02701781 -0.03859522 -0.04511918
1.58227581 15.06901142 8.14234525
-0.00040274 0.00014621 -0.00041492
0.02833470 -0.01818615 -0.02390930
-4.50989541 -9.26784939 3.95917001
0.00019657 0.00015340 0.00003824
0.00907380 -0.01024799 -0.01252417
2.11713421 -5.22240540 2.36308449
-0.00004447 -0.00010406 -0.00003628
0.02573688 0.01666789 -0.03644634
9.69653462 7.08657537 4.51836936
-0.00015642 0.00023556 -0.00024201
0.00188457 0.01361445 -0.01631610
-9.21264783 -10.12339128 -2.80538389
-0.00022487 -0.00031580 0.00020722
-0.01964025 0.01709569 0.03834350
3.53448341 -15.60374603 -13.02748924
-0.00025286 -0.00012074 -0.00025043
-0.00115473 0.03631973 -0.02485614
3.77605981 -5.70030731 -3.41030759
-0.00012342 0.00000496 0.00045070
0.01625133 -0.03243269 0.03754095
18.42095659 1.92085241 24.56112622
-0.00006874 0.00020455 -0.00006862
0.01713933 -0.01512405 0.00088892
-8.81216857 2.67567835 1.52201449
-0.00006180 -0.00024907 -0.00001791
-0.00022626 -0.00109584 -0.00572913
-6.21952099 12.78205684 -9.86063518
0.00057829 -0.00029513 0.00011703
-0.00091520 -0.01122985 -0.01538783
1.63295221 13.21940167 -7.60273309
-0.00003644 0.00012457 -0.00022655
-0.00082791 -0.00357648 0.00157914
-10.90655386 10.11352707 -12.52198114
-0.00037111 -0.00003790 -0.00002087
0.00869650 -0.05009138 -0.01179906
7.93260659 4.13903388 14.55770007
-0.00032342 -0.00038833 0.00011570
0.01853018 -0.02593792 0.03347705
-15.56338702 9.65478015 -8.11802829
0.00025034 0.00035313 0.00045712
0.01597355 -0.00876237 0.00493967
8.80491760 7.78593341 -3.03499837
-0.00042626 -0.00001191 -0.00028554
0.01170791 0.00474142 0.03407162
14.16916671 -20.67887256 -26.77963833
0.00007606 -0.00007664 0.00004606
-0.01204291 -0.00176306 0.01968703
5.00324016 7.01002764 1.55956742
0.00028978 -0.00044914 0.00024895
0.00222028 -0.00533732 0.00727445
18.37042596 -5.85726814 -7.56520784
-0.00039024 0.00004072 -0.00012825
-0.01140286 0.01492223 0.04459827
-1.87675515 -2.05467946 -2.06737019
-0.00014328 -0.00023161 -0.00002520
-0.01410763 0.04062071 -0.00664357
2.77840159 -2.04488177 -12.02906165
-0.00007116 -0.00006803 -0.00000990
-0.01902169 0.00639275 0.00688182
19.61081840 9.34747363 -6.22785281
0.00018852 -0.00021401 0.00022566
0.02392535 -0.03955987 0.00197183
-7.51370815 5.82875267 8.95176399
-0.00021648 -0.00049239 -0.00032374
-0.00809516 0.03862815 -0.00596390
-1.85423170 -16.05636043 11.43126540
0.00020309 -0.00017084 -0.00012473
0.00322206 0.01264803 0.00643598
7.56068202 -0.46678770 -4.48868523
0.00006784 -0.00002178 -0.00061015
-0.02431487 0.03572569 -0.03977441
-0.96537568 -12.08274015 0.62687864
-0.00015780 -0.00023115 0.00009310
0.00813509 -0.00061782 0.00721389
-19.95245769 -0.79484245 5.27267752
0.00002273 0.00047783 -0.00001402
-0.03131091 0.02987886 -0.00873209
-6.30676707 7.82702008 -25.02015400
-0.00057387 0.00022166 -0.00033562
0.02365867 -0.00338875 0.02777101
2.66324006 1.90263064 -1.79152110
-0.00049493 0.00020753 -0.00014899
0.01708686 0.00866934 -0.00767274
14.82368931 8.27451117 4.12266133
-0.00027206 -0.00004863 0.00003593
-0.03639242 -0.04860885 -0.01841678
-8.31515045 -6.76506858 10.43285393
-0.00060605 0.00022597 -0.00125917
0.00713932 0.00070252 0.00714499
-10.02437707 -6.27014184 8.25457213
-0.00029800 0.00029427 -0.00011770
-0.00526508 0.00384185 -0.00285107
-13.16199237 6.15238098 7.70064212
0.00036878 -0.00013875 -0.00009071
-0.00436501 -0.00166350 -0.00010639
-13.91038351 3.46796462 8.16064653
-0.00003134 0.00009409 0.00028823
0.00243992 -0.01137115 0.00954691
-15.05154587 1.75885642 4.61295586
0.00008155 -0.00047889 -0.00066157
0.01477068 -0.00065634 0.00630773
-17.27835880 0.78208959 3.38432236
0.00018446 0.00021088 0.00052220
-0.04938898 -0.02457445 0.00926634
3.15620483 -21.35071195 12.48928599
-0.00114104 -0.00054437 -0.00005166
-0.01593965 0.04214050 0.02898791
3.06296618 -19.28596125 15.06332047
0.00004409 -0.00007770 0.00033384
-0.01112631 -0.02100261 -0.05801045
9.22926447 18.98616042 0.94565695
-0.00037800 0.00021930 -0.00140538
0.01359815 0.02713038 -0.01495973
8.21613003 21.63968009 1.32347199
0.00052920 0.00042737 0.00054755
-0.00586557 0.01822672 0.00936982
-10.52105071 12.64738091 16.88947398
-0.00034712 -0.00128448 -0.00014641
0.01163798 -0.00851039 0.01664342
-11.73011244 14.37285126 15.09553061
0.00073962 0.00044375 0.00094450
-0.02105205 0.04827715 -0.01063144
-5.86425461 -0.08095373 -14.29486922
-0.00054805 -0.00026218 0.00037395
0.00347420 -0.00069954 -0.01086101
-6.35743803 0.15864193 -11.48404398
-0.00061361 -0.00139147 0.00044175
-0.00659443 0.01002229 -0.00331630
-8.38808064 8.19726918 -6.31619764
0.00043155 0.00014947 -0.00038084
0.00278063 -0.00156102 -0.00340460
-10.03844539 6.14683692 -5.34532129
0.00057244 0.00044353 0.00033498
0.01180904 0.01142459 -0.02388125
-7.51382883 -1.90249597 18.11592912
-0.00024094 0.00112806 -0.00005258
0.00011231 0.01360411 -0.00188265
-7.46911199 -4.25003605 19.85240308
0.00071205 -0.00011650 0.00061007
-0.00185155 0.00708202 -0.02237169
-24.73929145 -6.44858035 -23.21748859
0.00020640 -0.00008863 -0.00023899
-0.00927134 -0.00849190 -0.00291318
-22.02525475 -6.17448653 -23.28229285
0.00074828 -0.00081926 -0.00064916
-0.00624551 -0.02852779 -0.00500635
8.76234966 13.01730573 4.68407385
-0.00058642 0.00051166 0.00034638
-0.00977342 -0.00229127 0.04094970
9.08534136 11.72478840 7.46277459
0.00005981 0.00031889 0.00036891
0.03663568 -0.04282337 0.02361855
23.43720586 27.35916131 -2.43713751
0.00158754 -0.00011725 -0.00014018
-0.00057109 0.02416327 -0.01400052
23.19183565 30.29576969 -1.86141938
-0.00030146 -0.00016595 0.00032583
-0.00340832 -0.01343410 -0.00619205
10.87585798 -0.74701093 -14.53981690
-0.00004638 -0.00060077 0.00012990
0.04798259 -0.01636459 0.00413537
8.14903024 -1.60573013 -14.44843888
0.00021898 0.00052452 -0.00084106
0.00957560 -0.00059851 0.00310439
-9.83232032 -0.80374385 14.34268590
0.00022286 0.00007986 0.00034598
0.00773919 -0.01542589 -0.02479649
-9.46843078 -2.41731669 11.71767710
0.00068012 -0.00050866 -0.00090365
-0.01980249 -0.03626349 -0.00843998
-2.86513664 -26.37111609 12.09280422
-0.00086074 -0.00025246 0.00061404
-0.01056755 -0.00334851 -0.00338296
-3.22527514 -25.81781890 9.02260448
-0.00008919 0.00012997 0.00037280
-0.00454001 -0.00094119 0.00933956
-14.61898979 -2.63318444 -6.25483777
-0.00030554 0.00026601 -0.00024550
-0.00439211 -0.01670189 -0.00400413
-16.23282366 -3.44476224 -8.48036412
0.00054668 -0.00056702 -0.00062235
-0.00360569 -0.00423008 -0.00501229
-18.93640262 -9.17596053 -18.81107537
-0.00053504 -0.00031522 -0.00062450
0.00100932 -0.05303925 0.00772031
-18.27508181 -12.35408726 -18.77565660
0.00000895 -0.00017936 -0.00018341
0.01621662 0.00728472 -0.01312391
22.57227715 5.89113648 3.48426522
0.00020983 -0.00105454 0.00054790
-0.00117898 0.00495639 -0.00231203
20.34858549 6.61682789 5.33460377
-0.00049282 -0.00059522 0.00076519
0.01185346 -0.01181112 -0.00997882
18.10851633 -10.90808653 -11.90794561
0.00106961 0.00010406 -0.00119823
0.01181896 -0.01613193 -0.02376450
18.29282511 -10.74384175 -14.79404677
0.00060790 0.00014318 0.00096832
-0.00044831 0.00211461 -0.00686329
-2.28941108 1.28452633 -7.31062347
0.00127664 -0.00063704 0.00061205
0.01693163 0.00614502 -0.00548814
-4.64531165 0.33429889 -6.12379900
-0.00045914 0.00035161 -0.00000838
-0.00246937 -0.00710338 0.00007804
-2.80692585 -4.48859472 -18.21633136
0.00018305 -0.00033736 -0.00112805
-0.01264628 0.00862383 0.00576201
-3.64156301 -1.71742958 -18.60609412
0.00004467 -0.00032903 0.00017091
-0.00125251 0.00938943 -0.00052422
13.76017118 17.36314119 -19.77816150
0.00061444 0.00079275 -0.00077389
-0.01177799 0.01026344 0.01319712
12.73529902 15.69532850 -22.03990994
0.00020629 0.00023128 -0.00015836
-0.01084010 0.00293205 0.01097387
-13.74585430 17.20694367 -11.77879292
-0.00034130 -0.00016932 0.00048449
0.02010995 -0.00285371 0.02952916
-14.66710513 15.60040633 -14.10073540
-0.00015314 0.00044545 -0.00066616
0.00132550 0.04189362 0.01460946
1.59395666 15.76014784 6.46081108
0.00121238 0.00003336 -0.00085545
0.01042102 -0.00490373 -0.00594135
0.16930430 15.89100066 8.77210882
0.00011524 -0.00062200 0.00008808
-0.03961868 0.01785759 0.03125812
-5.66645896 -8.31878187 2.83211712
0.00127236 0.00118316 -0.00129589
0.01529287 -0.00948776 0.00503516
-3.17550143 -10.20197596 2.96116312
0.00081985 -0.00099211 0.00029699
-0.02430442 0.01811562 0.00160308
1.51061899 -3.64942662 3.01631205
-0.00135524 0.00044781 0.00072250
-0.00815691 0.01290689 0.02080276
3.13779945 -4.41412966 0.96995916
0.00082156 0.00099238 -0.00094620
-0.01049532 -0.02893274 0.01987968
8.33466449 7.83777922 3.49536535
0.00048281 -0.00031199 0.00086458
0.01080737 -0.00942335 0.00845009
11.27132572 7.99232532 4.08154671
-0.00056971 -0.00037609 -0.00085013
-0.00644597 -0.00541441 0.00334751
-7.90989019 -11.30510218 -2.38874801
0.00140220 0.00008726 0.00024554
0.01368252 -0.02002301 -0.00175277
-10.24598459 -9.93190949 -1.24620269
-0.00049836 -0.00012793 -0.00009975
0.00927529 0.00168935 -0.02062397
5.28662321 -15.45931442 -12.54624150
-0.00019874 -0.00079812 0.00041970
0.00287160 -0.01272702 -0.00096589
2.74788770 -16.80330735 -11.99213854
0.00090628 0.00132766 0.00014987
-0.01053017 -0.02212554 0.02455632
4.85730358 -5.02752728 -4.71002879
0.00056819 0.00031274 0.00061129
0.01061840 0.00486419 -0.01061809
4.98277205 -6.83210587 -2.40364337
0.00081392 0.00054262 -0.00051310
-0.02490897 0.02607280 -0.02299801
16.80567411 2.59918155 24.08165191
-0.00022181 -0.00009958 0.00002541
-0.00986073 0.00428307 0.00510574
19.37665660 3.13088470 25.61172206
0.00030281 -0.00070046 0.00000482
-0.00776110 -0.00205891 -0.01139705
-9.59901348 1.02026612 1.43329563
-0.00013919 -0.00017159 0.00029396
-0.00652499 0.00291224 0.00424251
-9.87601399 3.74017745 2.56334513
-0.00065705 -0.00119184 0.00067658
-0.00080757 -0.00302385 -0.00327490
-5.06279864 13.66028444 -8.74868251
0.00042520 -0.00062774 0.00057913
-0.00313203 0.01148912 0.00416685
-7.70200812 12.41629252 -8.86570733
0.00007622 -0.00029842 0.00041811
-0.00830901 -0.00190614 0.00161014
0.90557628 11.80999227 -6.67196778
0.00127720 -0.00003199 0.00114828
-0.00129044 0.00880126 -0.00273634
1.89812910 14.57089672 -6.38338292
-0.00039875 -0.00001838 0.00123213
0.00446674 -0.00766219 0.00331475
-10.52877378 8.24966209 -12.88721717
-0.00053977 -0.00031733 -0.00027853
-0.00367617 0.04358792 0.00191162
-11.98972815 9.90125214 -11.08923435
0.00030077 -0.00004251 0.00063403
-0.00772598 0.00662860 0.01265243
7.58778780 5.15485800 13.13623601
0.00095716 0.00038660 0.00070819
-0.00389172 0.01120927 -0.02133133
9.75123630 3.86575094 14.54390030
-0.00019889 0.00033142 -0.00029815
-0.01113853 0.00602854 -0.00834176
-14.11562273 10.40096420 -7.23991014
0.00021021 0.00105290 0.00108286
-0.00441076 0.00796775 -0.01172457
-16.91036721 10.85172835 -7.97242801
-0.00012988 -0.00023772 0.00006869
-0.00820967 0.00970842 0.00138992
9.09682191 9.42724575 -2.23867509
0.00069238 0.00023009 0.00087434
0.00006086 -0.01132439 -0.00717791
7.91032935 8.16610032 -4.52577092
0.00013788 -0.00093256 0.00043293
-0.01790740 0.00030374 -0.02356717
14.47440569 -19.03108397 -27.49318488
-0.00012880 -0.00066967 0.00057239
0.00009603 0.00955749 -0.00127953
13.37364594 -20.37776442 -25.11440572
-0.00032841 0.00021408 0.00033865
0.01236865 0.00225048 -0.01580748
5.22711111 5.29471166 2.18731550
-0.00115405 0.00027540 -0.00003961
0.00004169 -0.00171708 0.00102528
5.87592938 6.94998008 -0.04325372
-0.00118470 0.00042398 0.00057765
0.00090728 0.00467154 -0.00741421
19.72708306 -6.76866340 -6.75800779
0.00113614 0.00128192 0.00022170
0.00732823 0.00045739 -0.00038996
17.43103154 -5.05084352 -6.06878919
-0.00013930 -0.00011074 -0.00001967
0.00837565 -0.01147249 -0.03075657
-2.66897617 -0.73807550 -0.97299598
-0.00013116 0.00026422 0.00028482
0.01207427 -0.02000174 -0.00991005
-2.11082032 -1.22318160 -3.81104508
-0.00005188 -0.00047072 -0.00073008
0.00757125 -0.02002911 0.02550637
3.95554814 -3.41782677 -12.12910393
0.00077128 -0.00052740 -0.00050987
0.00742454 -0.01301500 -0.00319786
1.04395160 -2.75399173 -11.75231274
-0.00011611 -0.00003136 -0.00021281
0.01429473 0.00525871 -0.00002038
19.61935589 8.28279456 -7.81763517
0.00037544 0.00060376 -0.00004384
0.00262241 0.01515358 0.02328595
20.89584659 8.39906194 -5.09541551
-0.00027797 -0.00016503 -0.00028066
-0.02078756 0.01335274 -0.02338168
-7.05537208 4.10278522 9.18037480
-0.00021040 0.00098609 -0.00112235
0.00335879 -0.02703320 0.00340362
-7.56338963 6.66034849 10.57409631
0.00094163 0.00020688 -0.00034939
0.00305194 -0.00528177 -0.00044309
-2.33726817 -17.78917863 11.57186063
0.00067916 -0.00005370 0.00044063
-0.00259808 -0.00593722 -0.00637936
-2.82007355 -15.26914601 10.09046400
0.00003375 -0.00042539 -0.00060357
-0.00357477 -0.00263244 0.00052478
8.40588344 -0.67660382 -2.93919413
0.00027679 -0.00037513 0.00052879
0.02163206 0.00611140 0.03202407
7.60103755 1.23554546 -5.32229985
-0.00061279 0.00021401 -0.00022717
0.00797077 -0.02026441 0.01685103
0.41597615 -11.83223971 1.88516446
-0.00007179 -0.00010018 0.00007219
-0.00828512 0.00359565 -0.01114482
-0.90419361 -10.53128594 -0.42702701
0.00016578 -0.00007150 0.00000416
-0.00212911 -0.00313651 0.01038682
-19.71028257 -1.64138340 6.88011113
0.00036916 -0.00015905 0.00047245
0.00554641 0.00156573 0.01438202
-21.22477851 0.54712690 5.71552979
-0.00055470 0.00002626 0.00092360
0.02382849 -0.02354049 -0.01005154
-4.92232162 8.25075262 -26.28520182
0.00074872 -0.00021104 -0.00064529
-0.00904395 -0.00669786 0.02594474
-5.64316557 7.28055207 -23.30244823
0.00121306 0.00054302 -0.00094402
-0.00554303 0.01542549 -0.04490010
4.31614415 1.65364730 -2.65137177
-0.00017817 0.00042353 0.00033184
-0.02843949 -0.00990869 0.01574525
1.83110027 0.31605848 -1.40511882
0.00061412 -0.00102312 0.00048523
0.00623905 -0.00022504 -0.01050454
14.84812836 7.35678616 5.69990723
-0.00009682 -0.00032043 0.00062685
0.00714675 0.00447414 0.01134342
15.73201604 9.76003197 4.18893561
-0.00019572 0.00043388 -0.00064140
0.02646139 0.04338415 0.00995616
1.48693913 -11.77563613 -13.84142900
0.00011903 0.00000103 -0.00016721
0.00177491 0.00503522 0.00309550
-13.56278627 14.58420000 22.69955691
0.00000026 0.00014707 0.00015600
-0.00204757 -0.00349247 0.00239644
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02407813
0.35176010
468.70270254
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0543604651
ExchangeOperator: pair fraction: ispin=0: 0.1279610600
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3198078632 (a.u.)
total exchange computation time: 2.6238131523 s
-153.9384580011
-931.37473217
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3194959201 (a.u.)
total exchange computation time: 2.6908969879 s
-153.9426747955
Anderson extrapolation: theta=1.3193370699 (1.3193370699)
-931.37503178
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3189099060 (a.u.)
total exchange computation time: 2.6897959709 s
-153.9490614117
Anderson extrapolation: theta=0.0644564909 (0.0644564909)
-931.37518575
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3187817382 (a.u.)
total exchange computation time: 2.6930849552 s
-153.9501824272
Anderson extrapolation: theta=1.6754252959 (1.6754252959)
-931.37519202
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3185335060 (a.u.)
total exchange computation time: 2.6917500496 s
-153.9522357570
Anderson extrapolation: theta=0.2456354349 (0.2456354349)
-931.37519795
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3184600427 (a.u.)
total exchange computation time: 2.6901199818 s
-153.9527521067
Anderson extrapolation: theta=1.6691457963 (1.6691457963)
-931.37519927
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 1.150 s
total exchange = -52.3183549622 (a.u.)
total exchange computation time: 2.6927149296 s
-153.9534050416
Anderson extrapolation: theta=0.3253982992 (0.3253982992)
-931.37520091
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3183411396 (a.u.)
total exchange computation time: 2.6909329891 s
-153.9534042177
Anderson extrapolation: theta=1.2201671675 (1.2201671675)
-931.37520141
-23.081619 -171.516290 -244.387728
-138.077135 458.360255 -804.269954
-161.158755 286.843965 -1048.657682
1099.060753
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1283937263
ExchangeOperator: bisection time: 1.156 s
total exchange = -52.3183414071 (a.u.)
total exchange computation time: 2.6911368370 s
678.16194296
-1082.48244361
89.76429311
-389.85223403
-174.64841886
77.56897382
551.60419304
0.00000000
-931.37520184
-9.24560691 -5.39150382 9.64988718
0.00014256 0.00014742 0.00035519
-0.00338991 -0.00290177 -0.00878613
-13.85411870 5.06482593 9.02323055
0.00011287 -0.00016129 -0.00023175
0.00798676 0.01568322 -0.00018505
-15.78844141 1.59719868 2.96490040
-0.00002918 -0.00009754 -0.00003752
0.02911615 0.02753828 -0.01625007
2.45481045 -19.68150390 13.25379127
-0.00000927 -0.00001354 0.00027656
0.01924495 -0.02189196 0.02265191
9.63854337 20.81898296 0.51799845
0.00048524 -0.00003892 -0.00015956
-0.00538720 -0.04270476 -0.00017449
-11.11571008 12.74789581 15.17241422
-0.00012858 0.00007677 0.00012628
0.00278572 -0.03847710 -0.02365937
-6.02989315 1.17566504 -13.00411374
0.00002704 0.00011335 0.00005761
0.00507606 -0.01758335 0.01897127
-8.99617987 6.57744936 -6.87103316
0.00025666 0.00032854 0.00010528
-0.02136619 -0.01228377 0.02028104
-7.58450199 -3.69930166 18.04698957
0.00027656 -0.00014313 -0.00011458
0.00747445 -0.01927309 0.02671881
-23.30666318 -7.56111104 -23.42051967
-0.00031158 -0.00007652 -0.00023712
0.01260684 0.03802219 -0.00551411
8.26063557 12.95413608 6.54972067
0.00054950 0.00027737 0.00004096
-0.02883566 0.05227933 -0.06210522
23.29871065 29.06140456 -3.25744032
-0.00038223 -0.00051156 0.00039994
0.00075360 -0.00732533 0.01792850
9.26331005 -0.12497348 -14.61761471
0.00034990 0.00033352 0.00004817
-0.05780271 0.02120819 -0.01007348
-8.99195249 -1.03978429 12.69554328
-0.00030406 -0.00017536 -0.00026664
0.01309439 0.04504708 0.03563801
-2.10755528 -25.93932758 10.46317457
-0.00009957 0.00007037 0.00008899
0.01746932 0.00279401 -0.00796772
-15.17523156 -4.19340319 -7.21455186
-0.00017791 0.00033890 0.00000171
0.00792407 0.00352935 -0.00215040
-19.38717187 -10.99440413 -18.28988747
-0.00003167 0.00001712 0.00007776
-0.01433641 0.04087039 0.00418936
21.35514102 5.22404259 4.65718857
-0.00044373 0.00058980 -0.00005057
-0.00946343 0.00304114 0.01771259
19.08341535 -11.65343370 -13.41317888
0.00071830 0.00016129 0.00033058
-0.01014467 0.00993598 0.02359537
-2.99205776 -0.24446911 -6.64866492
-0.00044442 -0.00025222 0.00022488
-0.01253142 0.00580436 0.00319664
-3.90775609 -3.17132758 -17.53289543
0.00027300 0.00007231 -0.00009389
0.01161921 -0.01966162 -0.00088314
14.19851508 16.43726882 -21.23656684
-0.00008659 -0.00003973 -0.00006818
0.03210824 -0.01444077 -0.02248068
-14.70408127 17.42296893 -13.24477995
0.00031132 0.00046759 -0.00024043
-0.02542848 -0.03906294 -0.04264773
1.57634397 15.07113439 8.13602919
-0.00038683 0.00013630 -0.00042827
0.03352661 -0.02036209 -0.02798920
-4.50691186 -9.26558798 3.95969537
0.00020143 0.00014809 0.00003058
0.00982523 -0.01037101 -0.01726848
2.11656640 -5.22390200 2.36239966
-0.00003098 -0.00009271 -0.00005553
0.02671437 0.02747532 -0.03841307
9.69419554 7.09016128 4.51467630
-0.00015446 0.00024123 -0.00024893
0.00573194 0.00843904 -0.01060640
-9.21609670 -10.12806237 -2.80212769
-0.00023357 -0.00030817 0.00022692
-0.01419590 0.01260372 0.03826044
3.53068606 -15.60541701 -13.03134156
-0.00025157 -0.00010038 -0.00026454
0.00616302 0.04285828 -0.03001632
3.77427125 -5.70035800 -3.40340229
-0.00011437 -0.00001116 0.00046900
0.01893440 -0.03024755 0.03360392
18.41999159 1.92386230 24.56010028
-0.00006018 0.00019618 -0.00006858
0.01614415 -0.01739993 -0.00071124
-8.81309647 2.67193800 1.52172378
-0.00006239 -0.00024944 -0.00002050
-0.00206410 -0.00032105 -0.00434412
-6.21085012 12.77758663 -9.85893913
0.00057685 -0.00030117 0.00010990
-0.00468956 -0.01227908 -0.01234307
1.63240242 13.22125639 -7.60612529
-0.00003695 0.00012338 -0.00022400
-0.00116039 -0.00103343 0.00833689
-10.91208703 10.11276539 -12.52233975
-0.00036679 -0.00006393 -0.00002677
0.00813734 -0.05115472 -0.01113097
7.92782681 4.13310886 14.55956468
-0.00031359 -0.00040178 0.00013294
0.01969115 -0.02635370 0.03358657
-15.55957036 9.66004331 -8.11115251
0.00025943 0.00034881 0.00046008
0.01937604 -0.00802181 0.00658035
8.79856891 7.78577310 -3.03915007
-0.00041856 -0.00000893 -0.00026509
0.01823494 0.00681985 0.04545326
14.17026118 -20.68002893 -26.77887153
0.00006922 -0.00007868 0.00005750
-0.01455908 -0.00616386 0.02481995
5.00759550 7.00326995 1.56332974
0.00028955 -0.00045002 0.00025390
-0.00313634 0.00193172 0.01199131
18.36452834 -5.85659985 -7.56695952
-0.00039485 0.00004769 -0.00010482
-0.00652935 0.01219429 0.04651237
-1.87895883 -2.05799697 -2.06777389
-0.00015078 -0.00021023 -0.00002858
-0.01505374 0.04254413 -0.00649533
2.77726089 -2.04587763 -12.02918364
-0.00007960 -0.00006602 -0.00000657
-0.01382808 0.00143100 0.00609078
19.61373853 9.34411090 -6.22446038
0.00020031 -0.00023381 0.00022656
0.02190835 -0.03742306 0.00152884
-7.51698653 5.82151583 8.94688492
-0.00022149 -0.00046911 -0.00032684
-0.01138121 0.05190223 -0.00609360
-1.85117295 -16.05887419 11.42941929
0.00020452 -0.00016358 -0.00012193
0.00233562 0.01555316 0.00443821
7.56160576 -0.46697666 -4.49799096
0.00005662 -0.00000377 -0.00062810
-0.01931034 0.03432917 -0.02999764
-0.96771136 -12.08620973 0.62830303
-0.00015350 -0.00023114 0.00009670
0.00861198 0.00065660 0.00676194
-19.95223757 -0.78755976 5.27243354
0.00000658 0.00049268 -0.00001712
-0.03149406 0.02787330 -0.00330527
-6.31528383 7.83033198 -25.02508119
-0.00056006 0.00022021 -0.00032218
0.03003666 -0.00225714 0.02448075
2.65588201 1.90577700 -1.79378561
-0.00048662 0.00021066 -0.00015266
0.01524401 0.00352377 -0.00656565
14.81946809 8.27359426 4.12312918
-0.00029006 -0.00007312 0.00002752
-0.03360540 -0.04663304 -0.01428895
-8.32402246 -6.76165743 10.41418535
-0.00056736 0.00021691 -0.00122099
0.01179823 -0.00513826 0.01154154
-10.02900842 -6.26561011 8.25271928
-0.00031705 0.00031490 -0.00012410
-0.00405749 0.00625589 -0.00028313
-13.15659444 6.15024871 7.69927822
0.00035050 -0.00014621 -0.00009118
-0.00458333 -0.00198880 -0.00012348
-13.91077883 3.46902757 8.16526257
-0.00002136 0.00004151 0.00032340
0.00244298 -0.01436790 0.00766915
-15.04986996 1.75165302 4.60322557
0.00014640 -0.00047986 -0.00062772
0.01697420 0.00018060 0.01026432
-17.27710535 0.78449970 3.39243931
-0.00001972 0.00010937 0.00056011
-0.05055573 -0.02511403 0.00928929
3.13860083 -21.35758622 12.48939934
-0.00120470 -0.00037157 0.00006759
-0.01522588 0.04244638 0.02938818
3.06328653 -19.28777040 15.06655047
-0.00000117 -0.00016409 0.00009728
-0.01102864 -0.02128602 -0.05778824
9.22401114 18.99028126 0.92411789
-0.00032261 0.00032585 -0.00146437
0.01351851 0.02502543 -0.01391605
8.22388834 21.64664919 1.33197243
0.00051064 0.00049827 0.00058245
-0.00322309 0.01648057 0.00770962
-10.52590095 12.62785292 16.88778781
-0.00029833 -0.00131893 -0.00007503
0.01224642 -0.00835447 0.01829860
-11.71966328 14.38098692 15.10937239
0.00065535 0.00063924 0.00090226
-0.02019515 0.04741566 -0.01004661
-5.87236893 -0.08490781 -14.28959280
-0.00053342 -0.00026451 0.00032825
0.00368906 -0.00044100 -0.01151048
-6.36684432 0.13807692 -11.47751942
-0.00063786 -0.00133961 0.00041673
-0.00527626 0.01536613 -0.00892690
-8.38152219 8.19946345 -6.32201452
0.00044410 0.00014654 -0.00039351
0.00336116 0.00012653 -0.00279774
-10.02949699 6.15383998 -5.34102846
0.00062029 0.00049005 0.00023789
0.01161493 0.01134629 -0.02364407
-7.51743947 -1.88515821 18.11508272
-0.00024108 0.00116224 -0.00006066
-0.00018006 0.00312911 -0.00207458
-7.45848792 -4.25156650 19.86086858
0.00070374 -0.00008501 0.00051122
-0.00221900 0.00833118 -0.02601408
-24.73647954 -6.45016995 -23.22116277
0.00016464 -0.00011854 -0.00025012
-0.01117048 -0.00615342 -0.00253079
-22.01422186 -6.18764967 -23.29218372
0.00071994 -0.00093577 -0.00066914
-0.00763024 -0.02850483 -0.00477121
8.75325390 13.02491042 4.69052443
-0.00062300 0.00050110 0.00050771
-0.00813165 -0.00287764 0.03802226
9.08736121 11.72825953 7.46903192
0.00020953 0.00014364 0.00046454
0.03665241 -0.04296078 0.02319519
23.46100140 27.35814295 -2.43966919
0.00158381 -0.00002355 -0.00019408
-0.00125321 0.02170711 -0.01238380
23.18720929 30.29286882 -1.85672166
-0.00031539 -0.00022296 0.00029933
-0.00340812 -0.01447256 -0.00677953
10.87663267 -0.75652392 -14.53774168
0.00014880 -0.00066704 0.00014680
0.04755929 -0.01607598 0.00413493
8.15260834 -1.59788064 -14.46095962
0.00025602 0.00052098 -0.00082763
0.00855432 -0.00113648 0.00346927
-9.82874021 -0.80301863 14.34711570
0.00025532 0.00001479 0.00024058
0.00814716 -0.01642923 -0.02679587
-9.45883574 -2.42605784 11.70386373
0.00060064 -0.00065151 -0.00093227
-0.01910554 -0.03366075 -0.00556849
-2.87837158 -26.37500554 12.10191109
-0.00089860 -0.00026363 0.00059107
-0.00796212 -0.00211897 -0.00785827
-3.22675214 -25.81589823 9.02848273
-0.00010949 0.00012644 0.00040747
-0.00539639 -0.00078532 0.00762996
-14.62370745 -2.62970607 -6.25864304
-0.00032283 0.00020065 -0.00026114
-0.00407063 -0.01529216 -0.00364964
-16.22473399 -3.45339716 -8.48985300
0.00052867 -0.00058154 -0.00064609
-0.00520868 -0.00287660 -0.00660866
-18.94439724 -9.18231415 -18.82020635
-0.00052973 -0.00052839 -0.00059333
0.00158721 -0.05130969 0.00753835
-18.27445071 -12.35655443 -18.77880988
0.00007252 -0.00014708 -0.00023618
0.01490126 0.00851421 -0.01270619
22.57538850 5.87547027 3.49241293
0.00020922 -0.00102819 0.00053408
0.00087957 0.00794332 -0.00445452
20.34155644 6.60753763 5.34577578
-0.00044666 -0.00063565 0.00072491
0.01074367 -0.00797650 -0.00973812
18.12492260 -10.90701998 -11.92664723
0.00111229 0.00004217 -0.00128140
0.00907521 -0.01416124 -0.01694707
18.30192992 -10.74162918 -14.77973230
0.00060419 0.00015428 0.00093302
-0.00137025 0.00331905 -0.01041632
-2.26974257 1.27515902 -7.30161088
0.00134286 -0.00061523 0.00059153
0.01548017 0.00453312 -0.00455704
-4.65227449 0.33935542 -6.12392234
-0.00046628 0.00032306 -0.00000919
-0.00102573 -0.00687348 -0.00047263
-2.80456756 -4.49339092 -18.23307560
0.00012639 -0.00029636 -0.00110061
-0.01508877 0.01144655 0.00766955
-3.64093141 -1.72207728 -18.60354649
0.00004047 -0.00028431 0.00016430
-0.00080226 0.01250088 -0.00271117
13.76902689 17.37534696 -19.78936549
0.00056448 0.00083735 -0.00071609
-0.01267720 0.01156592 0.01509589
12.73806122 15.69888753 -22.04194903
0.00015815 0.00024172 -0.00011496
-0.01272671 0.00218090 0.01026891
-13.75035751 17.20431641 -11.77062068
-0.00026350 -0.00018067 0.00059893
0.01796963 -0.00270246 0.02648744
-14.66936157 15.60837190 -14.11028018
-0.00014684 0.00061659 -0.00060517
0.00175929 0.04187867 0.01524890
1.61246175 15.76049795 6.44779722
0.00125173 0.00001236 -0.00087171
0.00884052 -0.00537294 -0.00201588
0.16981889 15.88221786 8.77438785
-0.00005401 -0.00054351 0.00021592
-0.04323135 0.02056562 0.03132122
-5.64690495 -8.30132513 2.81283307
0.00133856 0.00113961 -0.00126960
0.01711350 -0.01183437 0.00783308
-3.16394840 -10.21630254 2.96566717
0.00071478 -0.00091342 0.00030733
-0.02712981 0.02040425 0.00345429
1.49004048 -3.64231392 3.02778699
-0.00138007 0.00048412 0.00079799
-0.00400062 0.00486614 0.01614960
3.14980118 -4.40013048 0.95637539
0.00076828 0.00086854 -0.00085132
-0.01558258 -0.03169093 0.02656365
8.34223778 7.83281060 3.50859306
0.00051318 -0.00034322 0.00088881
0.00406077 -0.00586528 0.00341045
11.26258262 7.98651802 4.06889727
-0.00058974 -0.00039497 -0.00083735
-0.00336315 -0.00382532 0.00291058
-7.88843797 -11.30440690 -2.38511858
0.00144585 0.00001507 0.00023610
0.00768653 -0.01531262 -0.00286813
-10.25317578 -9.93377670 -1.24833085
-0.00045991 -0.00012170 -0.00018184
0.00954686 0.00136002 -0.01956071
5.28373006 -15.47167623 -12.53997562
-0.00018838 -0.00084792 0.00041282
0.00219943 -0.01164883 -0.00240316
2.76115920 -16.78407046 -11.98913800
0.00085018 0.00122148 0.00026334
-0.01693223 -0.02984994 0.03098538
4.86615188 -5.02268720 -4.70118475
0.00060567 0.00033164 0.00057067
0.00772775 0.00439127 -0.00926641
4.99421754 -6.82316767 -2.41204466
0.00071236 0.00064548 -0.00060253
-0.02480381 0.02428168 -0.02077739
16.80204478 2.59781911 24.08218958
-0.00026110 -0.00008119 0.00004716
-0.00937015 0.00472054 0.00553757
19.38096087 3.12031475 25.61144508
0.00027193 -0.00070471 -0.00003934
-0.00735130 -0.00002187 -0.01021649
-9.60130133 1.01778144 1.43783496
-0.00016476 -0.00016163 0.00031002
-0.00598846 0.00196646 0.00362042
-9.88589452 3.72220722 2.57339345
-0.00065743 -0.00120392 0.00066140
0.00062350 -0.00289121 -0.00415718
-5.05651667 13.65122046 -8.73986783
0.00041220 -0.00058138 0.00059523
-0.00323171 0.01120212 0.00371069
-7.70111949 12.41175780 -8.85938631
0.00004970 -0.00030395 0.00041922
-0.00467022 -0.00079825 -0.00106923
0.92469468 11.80978212 -6.65482744
0.00127295 0.00000532 0.00113281
-0.00079038 0.00946300 -0.00483825
1.89228477 14.57038628 -6.36479946
-0.00038049 -0.00005578 0.00123626
0.00446798 -0.01064812 -0.00128909
-10.53698296 8.24623788 -12.89133657
-0.00055515 -0.00013726 -0.00026991
-0.00385207 0.04455740 0.00231100
-11.98545333 9.90081766 -11.07933626
0.00027076 -0.00001525 0.00068378
-0.00696447 0.00671589 0.01170251
7.60202593 5.16100043 13.14620521
0.00093795 0.00043545 0.00061820
-0.00551281 0.01270558 -0.02271783
9.74791165 3.87090694 14.53917250
-0.00024350 0.00035414 -0.00032965
-0.01069830 0.00509174 -0.00707951
-14.11260476 10.41700192 -7.22402646
0.00018636 0.00108255 0.00103130
-0.00726449 0.00654650 -0.01351427
-16.91256700 10.84846009 -7.97135507
-0.00016441 -0.00019682 0.00007454
-0.00869433 0.01031134 0.00147598
9.10720947 9.43035016 -2.22577995
0.00068877 0.00017303 0.00083670
-0.00182996 -0.01660686 -0.01124938
7.91184878 8.15212119 -4.51999908
0.00005562 -0.00092475 0.00032155
-0.02235780 0.00352154 -0.03095391
14.47247657 -19.04083617 -27.48463827
-0.00012589 -0.00061978 0.00056155
0.00133129 0.01486442 -0.00402671
13.36909874 -20.37448433 -25.10981034
-0.00027552 0.00022151 0.00026936
0.01352433 0.00138938 -0.01811192
5.20980171 5.29879001 2.18675270
-0.00115099 0.00025605 -0.00003221
0.00145506 -0.00775510 0.00260181
5.85818667 6.95648288 -0.03481610
-0.00117332 0.00044107 0.00053445
0.00466206 0.00369461 -0.01373703
19.74434975 -6.74942063 -6.75469429
0.00115773 0.00128857 0.00021471
0.00324011 0.00280116 -0.00303127
17.42919869 -5.05285620 -6.07002673
-0.00010677 -0.00015619 -0.00014387
0.00754896 -0.01077556 -0.03003896
-2.67057355 -0.73472515 -0.96902733
-0.00007952 0.00017884 0.00023988
0.01320052 -0.02179230 -0.01209013
-2.11136657 -1.23085618 -3.82121465
-0.00002160 -0.00055290 -0.00062163
0.00725167 -0.02019570 0.02757800
3.96734482 -3.42613652 -12.13684993
0.00079139 -0.00056938 -0.00052186
0.00242159 -0.00753773 -0.00267394
1.04264799 -2.75430100 -11.75550548
-0.00005823 -0.00001106 -0.00021270
0.01403799 0.00468074 0.00007483
19.62506781 8.29231531 -7.81757924
0.00038576 0.00066347 0.00004888
0.00243241 0.01407395 0.02210204
20.89103999 8.39699564 -5.10034195
-0.00035872 -0.00011311 -0.00037265
-0.01873882 0.01206224 -0.02164617
-7.05842517 4.11674815 9.16364387
-0.00019020 0.00085208 -0.00110391
0.00653024 -0.03856488 0.00562407
-7.54917173 6.66328984 10.56884182
0.00095411 0.00018250 -0.00035510
0.00305980 -0.00665449 -0.00234868
-2.32716039 -17.79016604 11.57827460
0.00066755 -0.00008101 0.00041457
-0.00308598 -0.00742988 -0.00637782
-2.81967685 -15.27560753 10.08142659
0.00002203 -0.00043886 -0.00059709
-0.00216043 -0.00396319 0.00264630
8.41069822 -0.68204356 -2.93028093
0.00035482 -0.00034721 0.00064114
0.01656070 0.00755550 0.02297108
7.59208995 1.23813461 -5.32519100
-0.00057952 0.00013164 -0.00015849
0.00831438 -0.02005418 0.01676504
0.41464536 -11.83363217 1.88590587
-0.00010597 -0.00008632 0.00002680
-0.00844438 0.00318582 -0.01107653
-0.90177208 -10.53245459 -0.42664639
0.00015620 -0.00008577 0.00004741
-0.00256278 -0.00384622 0.01078572
-19.70457515 -1.64372116 6.88763860
0.00039031 -0.00014754 0.00052179
0.00480490 0.00406796 0.00976982
-21.23236886 0.54679949 5.72907580
-0.00045559 -0.00007094 0.00088118
0.02468980 -0.02404169 -0.01071396
-4.91136788 8.24738172 -26.29408609
0.00070228 -0.00023924 -0.00053548
-0.01368993 -0.00710572 0.02780807
-5.62513951 7.28917007 -23.31798446
0.00118749 0.00060485 -0.00112433
-0.00697646 0.01484104 -0.04336025
4.31260018 1.65969669 -2.64591162
-0.00029332 0.00038375 0.00039565
-0.02793119 -0.00956866 0.01548782
1.84050325 0.30070478 -1.39816219
0.00064281 -0.00101404 0.00044050
0.00780438 0.00466984 -0.01139179
14.84689506 7.35211688 5.70965758
-0.00006748 -0.00029635 0.00066470
0.00721616 0.00730910 0.00718336
15.72989111 9.76786959 4.17961963
-0.00009335 0.00060162 -0.00060070
0.02365093 0.03872443 0.00996958
1.48872939 -11.77560716 -13.84392878
0.00011969 0.00000285 -0.00016611
0.00192117 0.00512566 0.00303978
-13.56278599 14.58639992 22.70190105
-0.00000024 0.00014627 0.00015653
-0.00222830 -0.00340343 0.00221576
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02403754
0.35116430
467.90882101
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0542151163
ExchangeOperator: pair fraction: ispin=0: 0.1273553272
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3151766694 (a.u.)
total exchange computation time: 2.5509021282 s
-153.9240878575
-931.37427648
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0542151163
ExchangeOperator: pair fraction: ispin=0: 0.1273553272
ExchangeOperator: bisection time: 1.150 s
total exchange = -52.3148815471 (a.u.)
total exchange computation time: 2.5515499115 s
-153.9278367684
Anderson extrapolation: theta=1.3554130891 (1.3554130891)
-931.37453825
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0542151163
ExchangeOperator: pair fraction: ispin=0: 0.1273553272
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3143896434 (a.u.)
total exchange computation time: 2.5502879620 s
-153.9336612341
Anderson extrapolation: theta=0.0551434404 (0.0551434404)
-931.37469833
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0542151163
ExchangeOperator: pair fraction: ispin=0: 0.1273553272
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3142872416 (a.u.)
total exchange computation time: 2.5525538921 s
-153.9346261637
Anderson extrapolation: theta=2.0354489607 (2.0000000000)
-931.37470531
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0542151163
ExchangeOperator: pair fraction: ispin=0: 0.1273553272
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3140599487 (a.u.)
total exchange computation time: 2.5505321026 s
-153.9366677249
Anderson extrapolation: theta=0.2546773639 (0.2546773639)
-931.37471358
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0542151163
ExchangeOperator: pair fraction: ispin=0: 0.1273553272
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3139997031 (a.u.)
total exchange computation time: 2.5504789352 s
-153.9371336847
Anderson extrapolation: theta=1.7657762258 (1.7657762258)
-931.37471541
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0542151163
ExchangeOperator: pair fraction: ispin=0: 0.1273553272
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3139187868 (a.u.)
total exchange computation time: 2.5525898933 s
-153.9376838891
Anderson extrapolation: theta=0.3150921587 (0.3150921587)
-931.37471765
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0542151163
ExchangeOperator: pair fraction: ispin=0: 0.1273553272
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3139188516 (a.u.)
total exchange computation time: 2.5491619110 s
-153.9376011980
Anderson extrapolation: theta=1.2076478545 (1.2076478545)
-931.37471823
-23.028629 -171.506495 -244.351935
-138.030898 458.335493 -804.269182
-161.059527 286.828998 -1048.621117
1099.007413
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0542151163
ExchangeOperator: pair fraction: ispin=0: 0.1273553272
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3139372641 (a.u.)
total exchange computation time: 2.5525071621 s
678.10245126
-1082.34592200
89.76663090
-389.94587468
-174.63806688
77.49390287
551.60419304
0.00000000
-931.37471866
-9.24348164 -5.38930379 9.65518115
0.00013932 0.00014687 0.00034896
-0.00918862 0.00076252 -0.01545705
-13.85239487 5.06246715 9.01975362
0.00011694 -0.00015242 -0.00023136
0.00785618 0.01877273 0.00170557
-15.78876686 1.59584182 2.96427488
-0.00001492 -0.00008381 -0.00004667
0.02633537 0.02585627 -0.01930377
2.45474569 -19.68179139 13.25802708
0.00000026 -0.00002471 0.00028786
0.01781924 -0.02156669 0.02126530
9.64580123 20.81823441 0.51560434
0.00048170 -0.00005964 -0.00015951
-0.00840412 -0.03785027 0.00038153
-11.11762807 12.74889899 15.17421710
-0.00012762 0.00005775 0.00011374
0.00095317 -0.03550315 -0.02510351
-6.02946799 1.17729741 -13.00317634
0.00002931 0.00010294 0.00006870
0.00376018 -0.02286458 0.02412972
-8.99241243 6.58233013 -6.86937567
0.00024563 0.00032185 0.00011530
-0.02151448 -0.01373582 0.01866791
-7.58032479 -3.70152303 18.04537400
0.00028053 -0.00015077 -0.00010005
0.00798392 -0.01039924 0.02976567
-23.31128824 -7.56211211 -23.42409777
-0.00030431 -0.00005773 -0.00024011
0.01564591 0.03504191 -0.00608918
8.26876684 12.95849829 6.55009546
0.00053457 0.00030392 0.00001054
-0.02921832 0.05097822 -0.05617318
23.29298005 29.05370286 -3.25137202
-0.00038178 -0.00051439 0.00040879
0.00102966 -0.00367376 0.01647698
9.26833564 -0.11988881 -14.61693106
0.00032118 0.00034429 0.00004293
-0.05388543 0.02066286 -0.01027652
-8.99646284 -1.04224099 12.69168110
-0.00029762 -0.00015302 -0.00024897
0.01192146 0.04185722 0.03309020
-2.10898151 -25.93826119 10.46447863
-0.00009098 0.00007142 0.00008647
0.01596807 0.00128451 -0.00181970
-15.17786963 -4.18830603 -7.21453455
-0.00017361 0.00033985 0.00000083
0.00878925 0.00016773 -0.00126737
-19.38770222 -10.99398970 -18.28870488
-0.00003881 0.00003704 0.00007985
-0.01344446 0.03657846 0.00391912
21.34844860 5.23290138 4.65649835
-0.00044870 0.00058957 -0.00004114
-0.00987784 -0.00394778 0.01895637
19.09415065 -11.65097608 -13.40812912
0.00071411 0.00016547 0.00034152
-0.00611794 0.00635161 0.01895413
-2.99877236 -0.24823001 -6.64527932
-0.00045067 -0.00024877 0.00022636
-0.01179878 0.00759282 0.00252333
-3.90361622 -3.17031870 -17.53430726
0.00027937 0.00006084 -0.00009428
0.01313293 -0.02495002 -0.00062884
14.19734015 16.43661709 -21.23767618
-0.00006940 -0.00004719 -0.00007984
0.03471988 -0.01454980 -0.02286459
-14.69950960 17.42983214 -13.24855095
0.00029884 0.00044750 -0.00026132
-0.02311102 -0.03906718 -0.03858950
1.57067077 15.07310029 8.12949719
-0.00036874 0.00012554 -0.00044346
0.03682897 -0.02144531 -0.03110248
-4.50385250 -9.26340658 3.96008752
0.00020657 0.00014277 0.00002053
0.01014733 -0.01033677 -0.02184427
2.11620468 -5.22518663 2.36141850
-0.00001724 -0.00007603 -0.00007548
0.02674324 0.03737287 -0.03915730
9.69190067 7.09381230 4.51090141
-0.00015039 0.00024412 -0.00025277
0.01009499 0.00277843 -0.00432124
-9.21965508 -10.13263623 -2.79857633
-0.00023931 -0.00030286 0.00024641
-0.00811926 0.00802979 0.03755103
3.52693625 -15.60675735 -13.03542544
-0.00024673 -0.00007699 -0.00028108
0.01265222 0.04808704 -0.03429604
3.77262876 -5.70064203 -3.39623773
-0.00010403 -0.00002596 0.00048507
0.02126066 -0.02732786 0.02888975
18.41915114 1.92673795 24.55906885
-0.00005226 0.00018666 -0.00006942
0.01465008 -0.01965644 -0.00255097
-8.81404029 2.66819518 1.52139956
-0.00006393 -0.00024942 -0.00002237
-0.00390451 0.00037778 -0.00293846
-6.20221542 12.77302169 -9.85733830
0.00057351 -0.00030771 0.00010436
-0.00829895 -0.01313398 -0.00916704
1.63184367 13.22310315 -7.60945317
-0.00003762 0.00012344 -0.00021804
-0.00145552 0.00124672 0.01486579
-10.91755742 10.11160906 -12.52278424
-0.00036288 -0.00009025 -0.00003217
0.00704658 -0.05119311 -0.00987552
7.92319895 4.12698052 14.56168840
-0.00030334 -0.00041521 0.00014996
0.02014536 -0.02587577 0.03257977
-15.55560422 9.66524459 -8.10422596
0.00027007 0.00034495 0.00046385
0.02200340 -0.00702460 0.00808759
8.79236090 7.78566540 -3.04295111
-0.00040769 -0.00000500 -0.00023914
0.02403207 0.00846642 0.05545648
14.17124333 -20.68123284 -26.77791325
0.00006118 -0.00008292 0.00007139
-0.01670364 -0.01032123 0.02918273
5.01192664 6.99652717 1.56718456
0.00028666 -0.00044716 0.00026126
-0.00811643 0.00917431 0.01659363
18.35858036 -5.85583748 -7.56835236
-0.00039685 0.00005321 -0.00008058
-0.00123780 0.00929548 0.04773380
-1.88127865 -2.06098626 -2.06822770
-0.00015866 -0.00018808 -0.00003185
-0.01556339 0.04357331 -0.00621522
2.77601350 -2.04686244 -12.02925865
-0.00008530 -0.00006651 -0.00000367
-0.00833660 -0.00332739 0.00516217
19.61682769 9.34045946 -6.22105615
0.00021093 -0.00025232 0.00022724
0.01940691 -0.03456202 0.00115129
-7.52035272 5.81467941 8.94195883
-0.00022814 -0.00043922 -0.00032998
-0.01450321 0.06433608 -0.00613992
-1.84809617 -16.06126797 11.42760742
0.00020548 -0.00015495 -0.00012014
0.00139456 0.01802579 0.00251427
7.56238052 -0.46690078 -4.50752811
0.00004801 0.00001335 -0.00064082
-0.01415730 0.03224324 -0.01949850
-0.96998061 -12.08967424 0.62977959
-0.00014901 -0.00023052 0.00010003
0.00884673 0.00175104 0.00619545
-19.95226043 -0.78006203 5.27216407
-0.00000950 0.00050632 -0.00001747
-0.03103524 0.02517302 0.00192137
-6.32356887 7.83362647 -25.02981951
-0.00054319 0.00021936 -0.00031052
0.03555784 -0.00105095 0.02086334
2.64864157 1.90895054 -1.79610076
-0.00047936 0.00021119 -0.00015566
0.01295623 -0.00146611 -0.00511758
14.81498761 8.27231759 4.12348680
-0.00030635 -0.00009613 0.00002121
-0.02973784 -0.04284471 -0.01023852
-8.33217140 -6.75856119 10.39622411
-0.00050978 0.00018384 -0.00116529
0.01638797 -0.01105108 0.01572723
-10.03388843 -6.26069498 8.25084908
-0.00033125 0.00034510 -0.00012022
-0.00289402 0.00853123 0.00218375
-13.15147740 6.14799456 7.69790675
0.00033144 -0.00015493 -0.00009193
-0.00474688 -0.00227731 -0.00024295
-13.91102443 3.46920996 8.17034862
-0.00001134 -0.00002279 0.00035117
0.00246412 -0.01710594 0.00592087
-15.04715376 1.74446069 4.59412433
0.00021973 -0.00047765 -0.00057852
0.01891795 0.00090223 0.01381756
-17.27895027 0.78537066 3.40112556
-0.00022417 0.00000806 0.00059714
-0.04952427 -0.02447942 0.00883641
3.12006370 -21.36185912 12.49131379
-0.00126483 -0.00019904 0.00018767
-0.01420504 0.04200935 0.02939168
3.06293097 -19.29088409 15.06623885
-0.00004527 -0.00025100 -0.00013594
-0.01055918 -0.02125453 -0.05637347
9.21958630 18.99593581 0.90172597
-0.00026803 0.00042244 -0.00151879
0.01319865 0.02225912 -0.01272520
8.23144912 21.65462833 1.34094536
0.00050324 0.00056158 0.00061022
-0.00039537 0.01450760 0.00588682
-10.53000066 12.60781292 16.88722309
-0.00024766 -0.00135247 0.00000162
0.01255730 -0.00805969 0.01922354
-11.71045180 14.39202851 15.12259845
0.00057635 0.00082639 0.00086280
-0.01847565 0.04419418 -0.00926855
-5.88025716 -0.08888892 -14.28502182
-0.00051797 -0.00026533 0.00028045
0.00387090 0.00003642 -0.01188481
-6.37657398 0.11845364 -11.47154195
-0.00065694 -0.00126692 0.00037044
-0.00406028 0.02021789 -0.01373497
-8.37475775 8.20166548 -6.32800287
0.00045901 0.00015041 -0.00040382
0.00394145 0.00176623 -0.00225013
-10.01983675 6.16153840 -5.33818468
0.00066644 0.00053582 0.00014303
0.01097916 0.01105890 -0.02279069
-7.52106116 -1.86762868 18.11410919
-0.00024220 0.00115467 -0.00006953
-0.00037053 -0.00683605 -0.00226741
-7.44799985 -4.25258636 19.86773976
0.00069397 -0.00004900 0.00039911
-0.00256388 0.00929795 -0.02886734
-24.73435222 -6.45213667 -23.22499205
0.00011535 -0.00013885 -0.00025968
-0.01295666 -0.00378849 -0.00215035
-22.00365660 -6.20255976 -23.30236700
0.00068672 -0.00105108 -0.00068802
-0.00862906 -0.02793963 -0.00446984
8.74365978 13.03233875 4.69930526
-0.00065242 0.00048824 0.00065488
-0.00627354 -0.00341936 0.03401438
9.09162734 11.72909775 7.47671079
0.00035651 -0.00002795 0.00055536
0.03529381 -0.04103813 0.02126366
23.48472013 27.35845494 -2.44295983
0.00157758 0.00005920 -0.00024097
-0.00179478 0.01879585 -0.01056876
23.18237405 30.28908098 -1.85243942
-0.00032932 -0.00028362 0.00027101
-0.00341035 -0.01522088 -0.00708618
10.88032208 -0.76702215 -14.53541305
0.00033735 -0.00073015 0.00016346
0.04473646 -0.01481578 0.00402113
8.15671070 -1.59010081 -14.47326775
0.00028866 0.00051501 -0.00081277
0.00742515 -0.00178600 0.00380676
-9.82466079 -0.80330029 14.34990328
0.00028866 -0.00005397 0.00012877
0.00817589 -0.01722572 -0.02793343
-9.45041161 -2.43686193 11.68970909
0.00052489 -0.00078121 -0.00094750
-0.01797177 -0.02982746 -0.00188682
-2.89209450 -26.37902485 12.11053635
-0.00092588 -0.00026987 0.00055045
-0.00539468 -0.00093895 -0.01202749
-3.22855987 -25.81402570 9.03482859
-0.00013336 0.00012360 0.00043494
-0.00628751 -0.00060623 0.00581618
-14.62867459 -2.62716489 -6.26267197
-0.00033858 0.00014172 -0.00027504
-0.00363980 -0.01355397 -0.00315348
-16.21696354 -3.46220838 -8.49974689
0.00050450 -0.00059078 -0.00067597
-0.00662177 -0.00164507 -0.00801638
-18.95229459 -9.19181234 -18.82887533
-0.00052168 -0.00073228 -0.00056348
0.00235374 -0.04849482 0.00707549
-18.27290636 -12.35849980 -18.78274188
0.00013016 -0.00010945 -0.00028693
0.01331802 0.00990805 -0.01213904
22.57855375 5.86029088 3.50028765
0.00021675 -0.00099014 0.00051200
0.00280723 0.01068240 -0.00635267
20.33518582 6.59775852 5.35635097
-0.00040574 -0.00065964 0.00068628
0.00928379 -0.00376818 -0.00917131
18.14188506 -10.90682132 -11.94638747
0.00114255 -0.00001063 -0.00133477
0.00573639 -0.01168511 -0.00918135
18.31095075 -10.73921320 -14.76605620
0.00059725 0.00016997 0.00088426
-0.00202825 0.00435913 -0.01345346
-2.24912535 1.26606954 -7.29287759
0.00140236 -0.00060092 0.00057524
0.01364409 0.00247180 -0.00341516
-4.65930019 0.34399071 -6.12407464
-0.00046757 0.00029559 -0.00001220
0.00039486 -0.00657412 -0.00100399
-2.80313401 -4.49748560 -18.24934980
0.00006069 -0.00024482 -0.00106586
-0.01707446 0.01378284 0.00934233
-3.64034898 -1.72595886 -18.60116502
0.00003801 -0.00022741 0.00014913
-0.00040144 0.01535364 -0.00471853
13.77710566 17.38826156 -19.79964431
0.00051151 0.00088620 -0.00065230
-0.01325528 0.01234910 0.01613105
12.74004346 15.70258022 -22.04335879
0.00010252 0.00024919 -0.00007443
-0.01450177 0.00147308 0.00957190
-13.75375943 17.20152353 -11.76082513
-0.00019592 -0.00019098 0.00069841
0.01511414 -0.00234154 0.02220947
-14.67151018 15.61890406 -14.11889041
-0.00013883 0.00078640 -0.00054213
0.00215815 0.04124584 0.01560822
1.63150864 15.76051877 6.43465982
0.00128430 -0.00001044 -0.00087193
0.00709920 -0.00579125 0.00190695
0.16768399 15.87469545 8.77858643
-0.00023386 -0.00045625 0.00034206
-0.04480585 0.02214741 0.03042378
-5.62630212 -8.28459368 2.79402908
0.00141156 0.00108704 -0.00123226
0.01861755 -0.01389538 0.01044541
-3.15405804 -10.22937862 2.97038292
0.00059930 -0.00082615 0.00032451
-0.02939685 0.02231517 0.00495519
1.46921678 -3.63490299 3.04025167
-0.00138777 0.00048816 0.00085449
0.00023282 -0.00288765 0.01150720
3.16084791 -4.38807352 0.94441960
0.00069595 0.00073473 -0.00073159
-0.01982298 -0.03381030 0.03204500
8.35005995 7.82748253 3.52202979
0.00051449 -0.00035915 0.00089153
-0.00341910 -0.00193145 -0.00207900
11.25363341 7.98047628 4.05642621
-0.00059678 -0.00040714 -0.00082657
-0.00007943 -0.00213477 0.00236667
-7.86651468 -11.30465007 -2.38166493
0.00146448 -0.00003792 0.00022205
0.00143406 -0.01062783 -0.00400864
-10.25978188 -9.93556056 -1.25165781
-0.00042113 -0.00011663 -0.00025839
0.00943659 0.00112167 -0.01791298
5.28097170 -15.48475196 -12.53385703
-0.00018071 -0.00089323 0.00039993
0.00155729 -0.01053278 -0.00390643
2.77339300 -16.76666297 -11.98423849
0.00076954 0.00108630 0.00040143
-0.02253981 -0.03632204 0.03661490
4.87547379 -5.01757799 -4.69290862
0.00063074 0.00034829 0.00053613
0.00454259 0.00375772 -0.00764203
5.00414291 -6.81274133 -2.42171932
0.00061249 0.00073986 -0.00068187
-0.02408340 0.02191639 -0.01806156
16.79784120 2.59674598 24.08306661
-0.00029778 -0.00006135 0.00007080
-0.00858410 0.00499095 0.00603836
19.38481460 3.10974346 25.61054198
0.00024312 -0.00070040 -0.00007829
-0.00675406 0.00213206 -0.00885405
-9.60395619 1.01541729 1.44259618
-0.00018807 -0.00015554 0.00032345
-0.00542113 0.00101494 0.00295592
-9.89573684 3.70405979 2.58318700
-0.00065199 -0.00121528 0.00064266
0.00204090 -0.00266703 -0.00501412
-5.05043275 13.64284302 -8.73082574
0.00039849 -0.00053645 0.00060914
-0.00347710 0.01079248 0.00309812
-7.70051708 12.40717417 -8.85313082
0.00003795 -0.00030497 0.00040947
-0.00108265 0.00029819 -0.00370114
0.94376464 11.81015193 -6.63798361
0.00127054 0.00004507 0.00110882
-0.00038558 0.00999177 -0.00690271
1.88671426 14.56922325 -6.34629499
-0.00036211 -0.00010458 0.00122200
0.00453320 -0.01323915 -0.00569125
-10.54542821 8.24554443 -12.89531434
-0.00057086 0.00004472 -0.00026002
-0.00383675 0.04452248 0.00252993
-11.98160534 9.90079476 -11.06872096
0.00024445 0.00001244 0.00072879
-0.00591510 0.00683606 0.01033142
7.61592620 5.16792153 13.15478211
0.00091263 0.00048887 0.00052475
-0.00687786 0.01344109 -0.02302600
9.74393135 3.87637499 14.53401082
-0.00028547 0.00037278 -0.00035595
-0.00984489 0.00403654 -0.00579428
-14.11003200 10.43344085 -7.20897101
0.00015158 0.00110665 0.00097281
-0.00975839 0.00524797 -0.01511985
-16.91529963 10.84582377 -7.97019168
-0.00020010 -0.00015425 0.00008063
-0.00877512 0.01052586 0.00150299
9.11748488 9.43243680 -2.21357424
0.00067754 0.00009603 0.00078309
-0.00366429 -0.02108656 -0.01499267
7.91199799 8.13835788 -4.51612429
-0.00004349 -0.00090453 0.00018212
-0.02616001 0.00637406 -0.03729830
14.47062904 -19.04967739 -27.47633845
-0.00011804 -0.00054887 0.00053974
0.00250933 0.01984583 -0.00664900
13.36538039 -20.37111909 -25.10632497
-0.00021853 0.00022559 0.00019196
0.01437045 0.00060580 -0.01977716
5.19258147 5.30239308 2.18634935
-0.00114242 0.00021196 -0.00001844
0.00273982 -0.01382488 0.00413872
5.84072967 6.96321212 -0.02722036
-0.00114708 0.00045430 0.00046572
0.00818448 0.00278232 -0.01990420
19.76181501 -6.73000619 -6.75156656
0.00116245 0.00130454 0.00019702
-0.00093242 0.00501362 -0.00562735
17.42782848 -5.05552928 -6.07310525
-0.00007823 -0.00019822 -0.00026391
0.00641991 -0.00979550 -0.02872082
-2.67136192 -0.73271038 -0.96579964
-0.00002402 0.00008730 0.00018699
0.01397123 -0.02301521 -0.01380012
-2.11146840 -1.23976848 -3.82969407
0.00000717 -0.00063513 -0.00050590
0.00683343 -0.02005662 0.02907215
3.97928991 -3.43490822 -12.14475979
0.00079118 -0.00058921 -0.00053166
-0.00252764 -0.00216924 -0.00212186
1.04220471 -2.75432340 -11.75869363
-0.00000202 0.00000664 -0.00021211
0.01347657 0.00398247 0.00021200
19.63092880 8.30269860 -7.81616876
0.00039525 0.00071815 0.00013561
0.00221235 0.01269299 0.02035267
20.88508496 8.39566858 -5.10659500
-0.00043003 -0.00006718 -0.00045656
-0.01616830 0.01042065 -0.01942991
-7.06107806 4.12834757 9.14725762
-0.00015724 0.00067246 -0.00107692
0.00960400 -0.04935807 0.00758440
-7.53476630 6.66582336 10.56344338
0.00096652 0.00015263 -0.00036828
0.00301430 -0.00796486 -0.00410522
-2.31724173 -17.79160881 11.58429769
0.00065415 -0.00011375 0.00038851
-0.00347219 -0.00859641 -0.00638052
-2.81941255 -15.28231194 10.07255137
0.00001599 -0.00045762 -0.00058210
-0.00079642 -0.00521653 0.00469268
8.41652795 -0.68702026 -2.91995993
0.00041189 -0.00031337 0.00071590
0.01137510 0.00901124 0.01362505
7.58365192 1.23949470 -5.32705469
-0.00054489 0.00005139 -0.00009080
0.00863580 -0.01923099 0.01636982
0.41279705 -11.83482939 1.88596844
-0.00014033 -0.00007413 -0.00001783
-0.00837728 0.00278087 -0.01076922
-0.89950761 -10.53385895 -0.42560475
0.00014482 -0.00010261 0.00009198
-0.00300690 -0.00439761 0.01103226
-19.69857325 -1.64580960 6.89576482
0.00040842 -0.00012580 0.00055234
0.00406137 0.00657394 0.00518323
-21.23844607 0.54499866 5.74196520
-0.00035423 -0.00016883 0.00083644
0.02492440 -0.02387339 -0.01118811
-4.90125314 8.24357533 -26.30126610
0.00063786 -0.00026867 -0.00041927
-0.01784678 -0.00729678 0.02907694
-5.60754100 7.29869761 -23.33617807
0.00115672 0.00066371 -0.00129646
-0.00808300 0.01396953 -0.04090012
4.30734441 1.66515966 -2.63950228
-0.00040487 0.00034530 0.00045760
-0.02667201 -0.00924970 0.01483722
1.85038452 0.28563728 -1.39190372
0.00067732 -0.00098531 0.00039227
0.00908800 0.00939308 -0.01221794
14.84610401 7.34789554 5.71984817
-0.00003797 -0.00026101 0.00068580
0.00722648 0.00999211 0.00314645
15.72921565 9.77808047 4.17091465
-0.00000452 0.00074701 -0.00056010
0.01983202 0.03244590 0.00990277
1.49052996 -11.77555068 -13.84641223
0.00012041 0.00000470 -0.00016503
0.00208062 0.00521793 0.00297098
-13.56279347 14.58858798 22.70425289
-0.00000078 0.00014549 0.00015702
-0.00239059 -0.00329849 0.00198746
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02377752
0.35094114
467.61147099
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1282639264
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3117307177 (a.u.)
total exchange computation time: 2.6052749157 s
-153.9122152813
-931.37460459
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1282639264
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3114445012 (a.u.)
total exchange computation time: 2.6064150333 s
-153.9157047910
Anderson extrapolation: theta=1.3582474590 (1.3582474590)
-931.37486912
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1282639264
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3109434554 (a.u.)
total exchange computation time: 2.6059541702 s
-153.9212714534
Anderson extrapolation: theta=0.0557160537 (0.0557160537)
-931.37503138
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1282639264
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3108222634 (a.u.)
total exchange computation time: 2.6054720879 s
-153.9223025105
Anderson extrapolation: theta=2.0388335392 (2.0000000000)
-931.37503858
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1282639264
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3105459197 (a.u.)
total exchange computation time: 2.6053760052 s
-153.9245280882
Anderson extrapolation: theta=0.2549009621 (0.2549009621)
-931.37504719
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1282639264
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3104645199 (a.u.)
total exchange computation time: 2.6060919762 s
-153.9250806029
Anderson extrapolation: theta=1.7227946092 (1.7227946092)
-931.37504912
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1282639264
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3103456974 (a.u.)
total exchange computation time: 2.6067900658 s
-153.9257814121
Anderson extrapolation: theta=0.3097933685 (0.3097933685)
-931.37505150
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1282639264
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3103319600 (a.u.)
total exchange computation time: 2.6060757637 s
-153.9257570848
Anderson extrapolation: theta=1.1935889583 (1.1935889583)
-931.37505212
-22.977285 -171.501092 -244.310276
-137.986042 458.309951 -804.269997
-160.963328 286.808859 -1048.580274
1098.949091
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1282639264
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3103333278 (a.u.)
total exchange computation time: 2.6084530354 s
678.05075282
-1082.22788184
89.76837524
-390.02687304
-174.62909247
77.42999983
551.60419304
0.00000000
-931.37505262
-9.24142725 -5.38709787 9.66035587
0.00013320 0.00014819 0.00033944
-0.01461402 0.00438052 -0.02153569
-13.85061044 5.06025319 9.01628986
0.00012093 -0.00014209 -0.00023001
0.00764672 0.02140908 0.00351261
-15.78888913 1.59468443 2.96350043
-0.00000254 -0.00007119 -0.00005710
0.02181851 0.02319486 -0.02128120
2.45481839 -19.68224526 13.26242695
0.00000889 -0.00003560 0.00029823
0.01573209 -0.02075866 0.01906403
9.65299425 20.81719386 0.51321317
0.00047664 -0.00007763 -0.00015918
-0.01125562 -0.03213918 0.00091047
-11.11953872 12.74962828 15.17582631
-0.00012770 0.00004075 0.00010063
-0.00125932 -0.03058860 -0.02585367
-6.02901383 1.17875339 -13.00205278
0.00003094 0.00008992 0.00008216
0.00257578 -0.02779358 0.02819960
-8.98881097 6.58710493 -6.86757416
0.00023465 0.00031450 0.00012435
-0.02119551 -0.01486614 0.01650774
-7.57608599 -3.70382462 18.04398805
0.00028472 -0.00015396 -0.00008417
0.00831163 -0.00203113 0.03199091
-23.31579259 -7.56284285 -23.42772284
-0.00029564 -0.00004060 -0.00024339
0.01807772 0.03156985 -0.00670022
8.27667271 12.96325379 6.55003688
0.00051972 0.00032929 -0.00001617
-0.02853978 0.04767627 -0.04768665
23.28725739 29.04597282 -3.24517660
-0.00038122 -0.00051531 0.00041677
0.00113550 0.00008653 0.01455195
9.27294552 -0.11464473 -14.61632669
0.00029506 0.00035457 0.00003763
-0.04767790 0.01928709 -0.01034580
-9.00088122 -1.04437478 12.68807420
-0.00029179 -0.00013261 -0.00023300
0.01076560 0.03750733 0.02899321
-2.11028456 -25.93718490 10.46576865
-0.00008314 0.00007171 0.00008702
0.01451469 -0.00018531 0.00396627
-15.18043990 -4.18320756 -7.21452702
-0.00016895 0.00033905 0.00000030
0.00932657 -0.00331121 -0.00079856
-19.38833630 -10.99329307 -18.28749205
-0.00004549 0.00005442 0.00008184
-0.01251195 0.03103928 0.00384549
21.34167997 5.24172972 4.65595438
-0.00045374 0.00058574 -0.00003124
-0.00970939 -0.01094244 0.01952141
19.10483874 -11.64846945 -13.40293314
0.00071214 0.00016773 0.00034979
-0.00156633 0.00240096 0.01319983
-3.00557799 -0.25193233 -6.64187425
-0.00045644 -0.00024434 0.00022742
-0.01063864 0.00966338 0.00161853
-3.89937504 -3.16950230 -17.53572394
0.00028641 0.00004690 -0.00009454
0.01423253 -0.02928812 -0.00037811
14.19643307 16.43585312 -21.23896192
-0.00005101 -0.00005457 -0.00009147
0.03680201 -0.01413184 -0.02236657
-14.69511622 17.43639396 -13.25261965
0.00028768 0.00042753 -0.00027979
-0.02026063 -0.03857648 -0.03321380
1.56528170 15.07490073 8.12272525
-0.00034948 0.00011453 -0.00045995
0.03805795 -0.02140391 -0.03301819
-4.50071487 -9.26130493 3.96031114
0.00021189 0.00013752 0.00000840
0.01055775 -0.01007880 -0.02531072
2.11604928 -5.22618294 2.36013524
-0.00000367 -0.00005456 -0.00009555
0.02601692 0.04611817 -0.03889450
9.68968369 7.09748475 4.50709319
-0.00014398 0.00024401 -0.00025328
0.01485685 -0.00319335 0.00234746
-9.22327610 -10.13714814 -2.79473527
-0.00024182 -0.00029988 0.00026538
-0.00164683 0.00356494 0.03618602
3.52328406 -15.60772672 -13.03977390
-0.00023888 -0.00005139 -0.00029945
0.01790603 0.05147046 -0.03715672
3.77115029 -5.70113690 -3.38885031
-0.00009262 -0.00003909 0.00049855
0.02310952 -0.02373541 0.02353174
18.41842371 1.92946196 24.55801774
-0.00004523 0.00017598 -0.00007125
0.01270746 -0.02185765 -0.00458378
-8.81501423 2.66445528 1.52105267
-0.00006640 -0.00024908 -0.00002352
-0.00571738 0.00096992 -0.00154118
-6.19364474 12.76835542 -9.85580819
0.00056839 -0.00031463 0.00010047
-0.01162109 -0.01377400 -0.00596430
1.63127369 13.22495952 -7.61266636
-0.00003844 0.00012459 -0.00020880
-0.00170395 0.00322702 0.02103153
-10.92297345 10.11005780 -12.52330491
-0.00035966 -0.00011633 -0.00003679
0.00549602 -0.05019356 -0.00807718
7.91872650 4.12065256 14.56406346
-0.00029303 -0.00042815 0.00016617
0.01995663 -0.02445407 0.03046660
-15.55146833 9.67039168 -8.09723701
0.00028184 0.00034166 0.00046835
0.02377213 -0.00575242 0.00942347
8.78633829 7.78562301 -3.04632432
-0.00039412 -0.00000033 -0.00020856
0.02873768 0.00972011 0.06347493
14.17209662 -20.68251638 -26.77672984
0.00005215 -0.00008916 0.00008729
-0.01840846 -0.01397877 0.03263063
5.01619516 6.98985516 1.57116739
0.00028135 -0.00044066 0.00027088
-0.01250149 0.01611915 0.02083910
18.35262282 -5.85500340 -7.56937696
-0.00039606 0.00005723 -0.00005592
0.00431854 0.00630604 0.04818531
-1.88371853 -2.06363939 -2.06872946
-0.00016668 -0.00016563 -0.00003495
-0.01563231 0.04371829 -0.00581632
2.77470180 -2.04787293 -12.02929384
-0.00008815 -0.00006934 -0.00000128
-0.00274533 -0.00769487 0.00413465
19.62006656 9.33654139 -6.21764304
0.00022014 -0.00026917 0.00022775
0.01639258 -0.03097099 0.00081478
-7.52383079 5.80833932 8.93698538
-0.00023630 -0.00040337 -0.00033313
-0.01722519 0.07505507 -0.00609074
-1.84500864 -16.06352268 11.42581495
0.00020595 -0.00014518 -0.00011931
0.00043404 0.01996880 0.00074468
7.56304607 -0.46657616 -4.51721568
0.00004203 0.00002924 -0.00064810
-0.00911214 0.02955545 -0.00879075
-0.97218160 -12.09312524 0.63130394
-0.00014446 -0.00022939 0.00010304
0.00884232 0.00264172 0.00551784
-19.95252271 -0.77237011 5.27190941
-0.00002519 0.00051842 -0.00001523
-0.02996201 0.02188320 0.00678538
-6.33157958 7.83691285 -25.03439688
-0.00052372 0.00021915 -0.00030080
0.04017713 0.00021752 0.01693533
2.64150109 1.91211277 -1.79845539
-0.00047339 0.00020923 -0.00015785
0.01027789 -0.00616112 -0.00338702
14.81027771 8.27071039 4.12376543
-0.00032043 -0.00011681 0.00001693
-0.02503160 -0.03758136 -0.00638881
-8.33931598 -6.75614222 10.37922674
-0.00043403 0.00012711 -0.00109328
0.02069370 -0.01671931 0.01952127
-10.03894581 -6.25525701 8.24911271
-0.00034088 0.00038419 -0.00010664
-0.00182013 0.01060217 0.00446452
-13.14665127 6.14560084 7.69652039
0.00031184 -0.00016473 -0.00009339
-0.00484479 -0.00251792 -0.00047184
-13.91111902 3.46834399 8.17579754
-0.00000117 -0.00009744 0.00037221
0.00251260 -0.01943642 0.00437809
-15.04327815 1.73732365 4.58586993
0.00030024 -0.00047275 -0.00051603
0.02049614 0.00149450 0.01677277
-17.28383034 0.78474138 3.41035336
-0.00042009 -0.00008840 0.00063134
-0.04638052 -0.02273550 0.00790695
3.10065599 -21.36355743 12.49502954
-0.00132018 -0.00002988 0.00030692
-0.01288963 0.04079534 0.02898236
3.06192828 -19.29530039 15.06247231
-0.00008665 -0.00033711 -0.00036081
-0.00969300 -0.02089566 -0.05370120
9.21597036 19.00295453 0.87855417
-0.00021527 0.00050640 -0.00156809
0.01262385 0.01883868 -0.01140622
8.23898567 21.66349659 1.35027908
0.00050753 0.00061648 0.00063034
0.00249439 0.01236795 0.00395986
-10.53333078 12.58727897 16.88783650
-0.00019636 -0.00138445 0.00008044
0.01255531 -0.00759579 0.01935946
-11.70237263 14.40577859 15.13525647
0.00050584 0.00099603 0.00082679
-0.01604423 0.03884509 -0.00836214
-5.88790816 -0.09286780 -14.28117921
-0.00050186 -0.00026376 0.00023168
0.00401937 0.00073509 -0.01198909
-6.38655247 0.10006945 -11.46640625
-0.00067129 -0.00117554 0.00030623
-0.00296540 0.02450930 -0.01769675
-8.36775176 8.20397575 -6.33412911
0.00047624 0.00016073 -0.00041206
0.00449195 0.00328586 -0.00178497
-10.00950364 6.16991458 -5.33673766
0.00070910 0.00057999 0.00005294
0.00990217 0.01056301 -0.02130636
-7.52470555 -1.85051811 18.11299669
-0.00024390 0.00110806 -0.00007917
-0.00046005 -0.01598043 -0.00244780
-7.43766891 -4.25303639 19.87284178
0.00068285 -0.00000961 0.00027696
-0.00287875 0.00998209 -0.03092557
-24.73301897 -6.45433557 -23.22895312
0.00005920 -0.00014960 -0.00026774
-0.01453167 -0.00146943 -0.00179438
-21.99362019 -6.21918217 -23.31282422
0.00065026 -0.00116298 -0.00070555
-0.00921932 -0.02683531 -0.00411291
8.73368118 13.03955752 4.71017069
-0.00067384 0.00047327 0.00078334
-0.00421203 -0.00390829 0.02886765
9.09805650 11.72742090 7.48569283
0.00049543 -0.00018786 0.00063546
0.03270753 -0.03723514 0.01794438
23.50832886 27.35991886 -2.44689818
0.00156948 0.00012921 -0.00028009
-0.00217156 0.01547466 -0.00858468
23.17732981 30.28436032 -1.84859147
-0.00034326 -0.00034670 0.00024204
-0.00341503 -0.01565803 -0.00709511
10.88675322 -0.77842838 -14.53283797
0.00051004 -0.00078622 0.00017945
0.03979398 -0.01263191 0.00380685
8.16126812 -1.58243043 -14.48534258
0.00031650 0.00050616 -0.00079658
0.00620525 -0.00254488 0.00411487
-9.82008031 -0.80463765 14.35097893
0.00032132 -0.00012552 0.00001409
0.00780925 -0.01779822 -0.02820353
-9.44308891 -2.44949404 11.67543881
0.00045437 -0.00089332 -0.00094652
-0.01654921 -0.02505400 0.00236747
-2.90614803 -26.38310170 12.11842450
-0.00094286 -0.00027145 0.00049362
-0.00291801 0.00016846 -0.01579152
-3.23075293 -25.81219031 9.04153091
-0.00016085 0.00012152 0.00045492
-0.00716760 -0.00041223 0.00396233
-14.63386479 -2.62545439 -6.26689417
-0.00035237 0.00009052 -0.00028663
-0.00311231 -0.01150930 -0.00252103
-16.20959891 -3.47112042 -8.51013208
0.00047508 -0.00059531 -0.00071104
-0.00778208 -0.00057411 -0.00915233
-18.96004769 -9.20428260 -18.83711068
-0.00051011 -0.00092237 -0.00053615
0.00331281 -0.04455395 0.00629932
-18.27054580 -12.35983795 -18.78741783
0.00018091 -0.00006593 -0.00033509
0.01152324 0.01139626 -0.01143703
22.58189105 5.84576617 3.50777303
0.00023163 -0.00094152 0.00048289
0.00447624 0.01311698 -0.00789814
20.32938418 6.58774848 5.36636409
-0.00037145 -0.00066581 0.00065061
0.00750270 0.00074892 -0.00828863
18.15919908 -10.90733880 -11.96669040
0.00115784 -0.00005222 -0.00135460
0.00174720 -0.00867668 -0.00052586
18.31984728 -10.73653007 -14.75320462
0.00058771 0.00018956 0.00082301
-0.00263762 0.00522802 -0.01652918
-2.22767192 1.25713154 -7.28435359
0.00145362 -0.00059574 0.00056396
0.01145184 0.00006174 -0.00211019
-4.66630169 0.34822309 -6.12428847
-0.00046319 0.00026950 -0.00001732
0.00174881 -0.00619855 -0.00149837
-2.80274688 -4.50073558 -18.26505144
-0.00001212 -0.00018481 -0.00102481
-0.01856413 0.01559402 0.01075054
-3.63979116 -1.72889947 -18.59907273
0.00003704 -0.00015963 0.00012631
-0.00007494 0.01782191 -0.00644834
13.78437207 17.40193299 -19.80893453
0.00045682 0.00093705 -0.00058616
-0.01351160 0.01254305 0.01624315
12.74113694 15.70636319 -22.04418192
0.00003999 0.00025391 -0.00003666
-0.01610742 0.00083869 0.00891620
-13.75623506 17.19858714 -11.74966845
-0.00014105 -0.00019942 0.00077840
0.01174329 -0.00178998 0.01694702
-14.67352653 15.63196402 -14.12654407
-0.00012928 0.00095233 -0.00047824
0.00251610 0.03997813 0.01566869
1.65099062 15.76018467 6.42163930
0.00130948 -0.00003478 -0.00085643
0.00523044 -0.00612063 0.00568227
0.16280311 15.86853036 8.78464958
-0.00041562 -0.00036500 0.00046237
-0.04416913 0.02252140 0.02846826
-5.60455829 -8.26871381 2.77586525
0.00148955 0.00102658 -0.00118477
0.01956171 -0.01570351 0.01280258
-3.14596931 -10.24108709 2.97540235
0.00047599 -0.00073192 0.00034697
-0.03096491 0.02381038 0.00604326
1.44840735 -3.62766903 3.05342158
-0.00137830 0.00046165 0.00089230
0.00440143 -0.01009003 0.00700276
3.17067977 -4.37808866 0.93442773
0.00060796 0.00059352 -0.00059180
-0.02324823 -0.03531161 0.03638218
8.35767258 7.82203608 3.53533910
0.00048415 -0.00035848 0.00087124
-0.01143200 0.00226151 -0.00785717
11.24467932 7.97430371 4.04410019
-0.00059014 -0.00041229 -0.00081820
0.00332949 -0.00038430 0.00173110
-7.84450349 -11.30554459 -2.37845695
0.00145754 -0.00007222 0.00020345
-0.00483093 -0.00616069 -0.00509799
-10.26580965 -9.93727568 -1.25608258
-0.00038359 -0.00011235 -0.00032705
0.00893681 0.00097386 -0.01569733
5.27830878 -15.49847319 -12.52797784
-0.00017553 -0.00093393 0.00038081
0.00097965 -0.00938713 -0.00545031
2.78424541 -16.75148152 -11.97709498
0.00066838 0.00092837 0.00055974
-0.02697826 -0.04098666 0.04087618
4.88507409 -5.01223849 -4.68510084
0.00064241 0.00036214 0.00050853
0.00116847 0.00302031 -0.00586952
5.01259229 -6.80097183 -2.43250089
0.00051691 0.00082340 -0.00074914
-0.02270200 0.01897787 -0.01486632
16.79311153 2.59597872 24.08431372
-0.00033069 -0.00004072 0.00009661
-0.00752703 0.00510513 0.00659529
19.38825440 3.09930283 25.60909625
0.00021709 -0.00068711 -0.00011137
-0.00598692 0.00437170 -0.00733563
-9.60694329 1.01311533 1.44753856
-0.00020899 -0.00015330 0.00033410
-0.00482119 0.00008151 0.00225625
-9.90545408 3.68574892 2.59267324
-0.00064085 -0.00122549 0.00062055
0.00340749 -0.00233035 -0.00581036
-5.04456194 13.63512701 -8.72159377
0.00038352 -0.00049341 0.00062024
-0.00385196 0.01027420 0.00233842
-7.69998102 12.40260880 -8.84710215
0.00004050 -0.00030162 0.00038924
0.00233275 0.00134003 -0.00620440
0.96281097 11.81113409 -6.62156283
0.00126956 0.00008661 0.00107656
-0.00009413 0.01034392 -0.00888856
1.88142158 14.56724885 -6.32813932
-0.00034331 -0.00016300 0.00119036
0.00466711 -0.01535793 -0.00979922
-10.55410861 8.24757958 -12.89913706
-0.00058610 0.00022444 -0.00024963
-0.00362414 0.04345179 0.00255379
-11.97811986 9.90119083 -11.05747249
0.00022292 0.00004066 0.00076743
-0.00462461 0.00697827 0.00858305
7.62940496 5.17566639 13.16194784
0.00088223 0.00054360 0.00043229
-0.00800372 0.01335144 -0.02223468
9.73934769 3.88209043 14.52849403
-0.00032316 0.00038692 -0.00037698
-0.00860434 0.00288135 -0.00450225
-14.10805730 10.45020140 -7.19484220
0.00010746 0.00112575 0.00090821
-0.01183809 0.00410020 -0.01650392
-16.91857005 10.84383255 -7.96893618
-0.00023525 -0.00011162 0.00008671
-0.00842911 0.01034123 0.00147124
9.12753572 9.43323113 -2.20228737
0.00065904 0.00000255 0.00071503
-0.00539362 -0.02467351 -0.01832042
7.91054395 8.12498521 -4.51453537
-0.00015617 -0.00087366 0.00002000
-0.02899395 0.00873737 -0.04206333
14.46893530 -19.05730233 -27.46844611
-0.00010561 -0.00045882 0.00050771
0.00357738 0.02423692 -0.00902930
13.36254275 -20.36771673 -25.10405166
-0.00015877 0.00022664 0.00010912
0.01488620 -0.00008961 -0.02077342
5.17552916 5.30514887 2.18619965
-0.00112892 0.00014355 0.00000134
0.00386685 -0.01966503 0.00553986
5.82377428 6.97011187 -0.02084448
-0.00110726 0.00046394 0.00037281
0.01130687 0.00193596 -0.02557723
19.77922312 -6.71028448 -6.74878371
0.00115023 0.00132910 0.00016899
-0.00504868 0.00701007 -0.00809143
17.42685173 -5.05880268 -6.07794395
-0.00005492 -0.00023566 -0.00037732
0.00499186 -0.00853340 -0.02679662
-2.67129404 -0.73210611 -0.96341771
0.00003390 -0.00000803 0.00012810
0.01437871 -0.02364790 -0.01502367
-2.11115144 -1.24990998 -3.83639176
0.00003405 -0.00071619 -0.00038524
0.00632358 -0.01962238 0.02999256
3.99108009 -3.44381287 -12.15279970
0.00077119 -0.00058771 -0.00053917
-0.00725732 0.00290618 -0.00155605
1.04258735 -2.75410172 -11.76186878
0.00005131 0.00002126 -0.00021089
0.01262917 0.00317531 0.00038637
19.63692538 8.31385978 -7.81351095
0.00040379 0.00076660 0.00021403
0.00196573 0.01102343 0.01803457
20.87813904 8.39498017 -5.11403883
-0.00048973 -0.00002873 -0.00053039
-0.01305253 0.00840009 -0.01670964
-7.06314235 4.13692203 9.13133620
-0.00011240 0.00045193 -0.00104265
0.01234280 -0.05859274 0.00919220
-7.52017613 6.66786875 10.55779335
0.00097864 0.00011764 -0.00038819
0.00291728 -0.00916091 -0.00564053
-2.30753586 -17.79357842 11.58992975
0.00063941 -0.00015045 0.00036241
-0.00374414 -0.00937256 -0.00639414
-2.81919706 -15.28933605 10.06396374
0.00001532 -0.00048125 -0.00055905
0.00046834 -0.00635170 0.00658790
8.42305482 -0.69144469 -2.90880390
0.00044804 -0.00027369 0.00075281
0.00632128 0.01041255 0.00444084
7.57574313 1.23967620 -5.32791514
-0.00050902 -0.00002427 -0.00002533
0.00892463 -0.01780213 0.01567875
0.41043533 -11.83585617 1.88537101
-0.00017396 -0.00006359 -0.00006070
-0.00808164 0.00238090 -0.01021616
-0.89742743 -10.53553282 -0.42388699
0.00013163 -0.00012137 0.00013722
-0.00345162 -0.00478896 0.01111498
-19.69232245 -1.64749516 6.90420871
0.00042354 -0.00009400 0.00056449
0.00333596 0.00899433 0.00076511
-21.24299575 0.54173472 5.75416892
-0.00025323 -0.00026466 0.00079018
0.02451523 -0.02303786 -0.01145409
-4.89223217 8.23932175 -26.30666411
0.00055747 -0.00029846 -0.00029906
-0.02150127 -0.00729023 0.02976456
-5.59043787 7.30908130 -23.35687829
0.00112218 0.00071842 -0.00145666
-0.00882302 0.01281283 -0.03751952
4.30045401 1.67005574 -2.63218363
-0.00050975 0.00030813 0.00051611
-0.02466506 -0.00894675 0.01380378
1.86082277 0.27114544 -1.38639404
0.00071640 -0.00093791 0.00034087
0.01004552 0.01380908 -0.01294299
14.84575584 7.34428659 5.73023159
-0.00000854 -0.00021516 0.00069091
0.00718197 0.01245340 -0.00064770
15.72975562 9.79027984 4.16281657
0.00006724 0.00086421 -0.00051972
0.01529138 0.02492713 0.00986456
1.49234170 -11.77546618 -13.84887973
0.00012118 0.00000658 -0.00016398
0.00224494 0.00530918 0.00288654
-13.56280927 14.59076456 22.70661166
-0.00000135 0.00014474 0.00015745
-0.00254376 -0.00318720 0.00172754
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02385223
0.35120039
467.95690727
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1284369930
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3089486212 (a.u.)
total exchange computation time: 2.5808811188 s
-153.9060321016
-931.37582474
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1284369930
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3087095233 (a.u.)
total exchange computation time: 2.5789821148 s
-153.9091218946
Anderson extrapolation: theta=1.3720120659 (1.3720120659)
-931.37609473
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1284369930
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3082729315 (a.u.)
total exchange computation time: 2.5829470158 s
-153.9141627713
Anderson extrapolation: theta=0.0618186665 (0.0618186665)
-931.37626400
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1284369930
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3081565282 (a.u.)
total exchange computation time: 2.5829780102 s
-153.9151656016
Anderson extrapolation: theta=2.1953489917 (2.0000000000)
-931.37627274
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1284369930
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3078935356 (a.u.)
total exchange computation time: 2.5816349983 s
-153.9172979127
Anderson extrapolation: theta=0.3464725120 (0.3464725120)
-931.37628400
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1284369930
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3077998849 (a.u.)
total exchange computation time: 2.5809400082 s
-153.9179436988
Anderson extrapolation: theta=1.2844561128 (1.2844561128)
-931.37628701
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1284369930
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3077056176 (a.u.)
total exchange computation time: 2.5832798481 s
-153.9184739386
Anderson extrapolation: theta=0.4365308035 (0.4365308035)
-931.37628985
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1284369930
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3076934427 (a.u.)
total exchange computation time: 2.5808918476 s
-153.9184113549
Anderson extrapolation: theta=0.9199444909 (0.9199444909)
-931.37629084
-22.926601 -171.500024 -244.261558
-137.943025 458.283554 -804.272914
-160.869627 286.783530 -1048.534472
1098.885057
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1284369930
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3077051820 (a.u.)
total exchange computation time: 2.5832159519 s
678.00729962
-1082.13109582
89.76984272
-390.09285585
-174.62177692
77.37935531
551.60419304
0.00000000
-931.37629144
-9.23948561 -5.38485816 9.66536445
0.00012445 0.00015128 0.00032701
-0.01939873 0.00765567 -0.02680386
-13.84876701 5.05820440 9.01285319
0.00012479 -0.00013055 -0.00022778
0.00735302 0.02347866 0.00518213
-15.78884309 1.59370599 2.96256181
0.00000718 -0.00006015 -0.00006826
0.01596914 0.01976910 -0.02210021
2.45501246 -19.68285928 13.26697389
0.00001628 -0.00004595 0.00030725
0.01300399 -0.01948543 0.01603354
9.66010043 20.81590536 0.51082902
0.00047019 -0.00009252 -0.00015859
-0.01382370 -0.02573433 0.00136733
-11.12145908 12.75012158 15.17723606
-0.00012897 0.00002666 0.00008732
-0.00366239 -0.02421284 -0.02589932
-6.02853979 1.17999495 -13.00071168
0.00003200 0.00007445 0.00009744
0.00154357 -0.03236330 0.03123295
-8.98537302 6.59176504 -6.86564530
0.00022394 0.00030665 0.00013215
-0.02042969 -0.01563850 0.01385448
-7.57178308 -3.70614188 18.04284891
0.00028904 -0.00015304 -0.00006734
0.00847055 0.00560704 0.03344523
-23.32015749 -7.56333004 -23.43139960
-0.00028590 -0.00002534 -0.00024700
0.01981445 0.02776323 -0.00732844
8.28435840 12.96837709 6.54961042
0.00050542 0.00035256 -0.00003794
-0.02707681 0.04278924 -0.03696125
23.28154349 29.03824344 -3.23886892
-0.00038065 -0.00051430 0.00042366
0.00105886 0.00385638 0.01223695
9.27718759 -0.10925185 -14.61580213
0.00027257 0.00036395 0.00003233
-0.03980074 0.01719220 -0.01028564
-9.00521655 -1.04621920 12.68469097
-0.00028650 -0.00011465 -0.00021946
0.00981177 0.03230724 0.02369157
-2.11147563 -25.93611003 10.46708927
-0.00007603 0.00007125 0.00009042
0.01313130 -0.00160288 0.00924206
-15.18293821 -4.17813465 -7.21452565
-0.00016411 0.00033643 -0.00000011
0.00949678 -0.00684517 -0.00079817
-19.38906690 -10.99235699 -18.28624956
-0.00005170 0.00006867 0.00008388
-0.01165901 0.02437246 0.00407612
21.33483644 5.25047365 4.65556101
-0.00045853 0.00057835 -0.00002124
-0.00891771 -0.01781501 0.01939211
19.11551476 -11.64594431 -13.39763533
0.00071260 0.00016790 0.00035481
0.00335432 -0.00174015 0.00630328
-3.01246569 -0.25556011 -6.63845669
-0.00046152 -0.00023879 0.00022797
-0.00908499 0.01190162 0.00051783
-3.89502406 -3.16891185 -17.53714354
0.00029391 0.00003098 -0.00009469
0.01494144 -0.03258294 -0.00019131
14.19580992 16.43498012 -21.24042021
-0.00003167 -0.00006160 -0.00010263
0.03839781 -0.01322610 -0.02103874
-14.69087915 17.44265817 -13.25694459
0.00027807 0.00040795 -0.00029524
-0.01712230 -0.03758856 -0.02687086
1.56018623 15.07653606 8.11569859
-0.00033007 0.00010374 -0.00047702
0.03744104 -0.02053089 -0.03333708
-4.49749578 -9.25928103 3.96033949
0.00021736 0.00013239 -0.00000535
0.01072177 -0.00986566 -0.02816489
2.11609459 -5.22682347 2.35855193
0.00000933 -0.00002895 -0.00011521
0.02453607 0.05348461 -0.03755283
9.68758132 7.10113257 4.50330308
-0.00013506 0.00024080 -0.00025032
0.01980584 -0.00926717 0.00914736
-9.22690983 -10.14163255 -2.79061505
-0.00024097 -0.00029912 0.00028348
0.00498356 -0.00062005 0.03419540
3.51977000 -15.60829901 -13.04440901
-0.00022871 -0.00002460 -0.00031883
0.02163472 0.05268436 -0.03818278
3.76985010 -5.70181487 -3.38128134
-0.00008041 -0.00005024 0.00050916
0.02439156 -0.01958853 0.01772441
18.41779432 1.93201734 24.55693126
-0.00003928 0.00016418 -0.00007417
0.01041259 -0.02402138 -0.00675689
-8.81603228 2.66072285 1.52069389
-0.00006980 -0.00024847 -0.00002397
-0.00748808 0.00140032 -0.00018046
-6.18516372 12.76358289 -9.85432409
0.00056165 -0.00032182 0.00009821
-0.01458775 -0.01419890 -0.00283519
1.63069057 13.22684079 -7.61571731
-0.00003936 0.00012668 -0.00019652
-0.00189777 0.00489794 0.02674601
-10.92834708 10.10811931 -12.52388789
-0.00035733 -0.00014163 -0.00004036
0.00354264 -0.04819074 -0.00580739
7.91440802 4.11413594 14.56667356
-0.00028295 -0.00044013 0.00018104
0.01925029 -0.02213226 0.02735623
-15.54714904 9.67549439 -8.09017537
0.00029430 0.00033909 0.00047350
0.02469468 -0.00422402 0.01061041
8.78053738 7.78565561 -3.04920784
-0.00037848 0.00000491 -0.00017447
0.03207724 0.01062957 0.06909163
14.17280789 -20.68390776 -26.77529469
0.00004237 -0.00009711 0.00010470
-0.01963938 -0.01691448 0.03508650
5.02036724 6.98330751 1.57531100
0.00027399 -0.00043072 0.00028254
-0.01612177 0.02251222 0.02451720
18.34669860 -5.85412068 -7.57002982
-0.00039237 0.00005970 -0.00003121
0.01001120 0.00330363 0.04788008
-1.88627902 -2.06595525 -2.06927608
-0.00017463 -0.00014332 -0.00003781
-0.01528342 0.04306900 -0.00533507
2.77336892 -2.04894278 -12.02929712
-0.00008815 -0.00007430 0.00000056
0.00277371 -0.01156193 0.00304367
19.62343189 9.33238439 -6.21422365
0.00022767 -0.00028400 0.00022809
0.01290480 -0.02671356 0.00049141
-7.52744175 5.80257825 8.93196493
-0.00024570 -0.00036264 -0.00033623
-0.01933592 0.08332600 -0.00594786
-1.84191776 -16.06562333 11.42402823
0.00020593 -0.00013456 -0.00011932
-0.00050867 0.02132859 -0.00080178
7.56364132 -0.46602352 -4.52697107
0.00003856 0.00004363 -0.00064992
-0.00438111 0.02640383 0.00170662
-0.97431437 -12.09655586 0.63287086
-0.00013997 -0.00022784 0.00010568
0.00861803 0.00335827 0.00475049
-19.95301613 -0.76450936 5.27170710
-0.00004018 0.00052871 -0.00001062
-0.02832965 0.01813629 0.01116370
-6.33928034 7.84020090 -25.03884360
-0.00050206 0.00021960 -0.00029317
0.04401902 0.00153004 0.01273258
2.63443989 1.91522747 -1.80083616
-0.00046888 0.00020496 -0.00015909
0.00727231 -0.01046124 -0.00144109
14.80537470 8.26881326 4.12399478
-0.00033199 -0.00013456 0.00001454
-0.01990772 -0.03142433 -0.00292209
-8.34519232 -6.75474792 10.36342575
-0.00034174 0.00004845 -0.00100693
0.02448136 -0.02178380 0.02274845
-10.04411474 -6.24916927 8.24764996
-0.00034637 0.00043121 -0.00008426
-0.00087025 0.01241520 0.00649055
-13.14212207 6.14305281 7.69510511
0.00029198 -0.00017540 -0.00009602
-0.00487738 -0.00270722 -0.00081435
-13.91105962 3.46628683 8.18151478
0.00000926 -0.00018055 0.00038749
0.00259419 -0.02124863 0.00310300
-15.03814642 1.73027820 4.57864346
0.00038630 -0.00046575 -0.00044299
0.02162646 0.00193375 0.01897828
-17.29155289 0.78271872 3.42006575
-0.00059946 -0.00017582 0.00066091
-0.04142285 -0.02005812 0.00656570
3.08045833 -21.36275554 12.50052151
-0.00136961 0.00013271 0.00042364
-0.01130636 0.03879242 0.02815090
3.06033155 -19.30099730 15.05541464
-0.00012364 -0.00042107 -0.00057213
-0.00841515 -0.02020632 -0.04974239
9.21312809 19.01112781 0.85468333
-0.00016539 0.00057514 -0.00161180
0.01179400 0.01480843 -0.00999026
8.24667509 21.67312283 1.35985548
0.00052349 0.00066244 0.00064250
0.00531896 0.01012672 0.00199571
-10.53589144 12.56627950 16.88963639
-0.00014568 -0.00141415 0.00015822
0.01225111 -0.00694175 0.01871038
-11.69527675 14.42190934 15.14740201
0.00044627 0.00114036 0.00079460
-0.01311179 0.03180725 -0.00739455
-5.89531282 -0.09680163 -14.27807136
-0.00048518 -0.00025890 0.00018299
0.00414372 0.00164336 -0.01184581
-6.39671270 0.08318733 -11.46235511
-0.00068144 -0.00106784 0.00022756
-0.00200242 0.02821208 -0.02081354
-8.36047047 8.20648740 -6.34036475
0.00049562 0.00017689 -0.00041860
0.00499418 0.00462311 -0.00141581
-9.99856367 6.17893813 -5.33659642
0.00074650 0.00062174 -0.00002982
0.00840613 0.00987520 -0.01920649
-7.52837814 -1.83438691 18.11173418
-0.00024578 0.00102617 -0.00008950
-0.00045958 -0.02410252 -0.00260969
-7.42751439 -4.25287466 19.87604849
0.00067052 0.00003201 0.00014799
-0.00315703 0.01038942 -0.03220381
-24.73257631 -6.45662453 -23.23302416
-0.00000280 -0.00015111 -0.00027441
-0.01581791 0.00072842 -0.00147120
-21.98414879 -6.23744921 -23.32353351
0.00061220 -0.00126935 -0.00072155
-0.00941268 -0.02523408 -0.00371854
8.72344444 13.04653677 4.72280531
-0.00068649 0.00045643 0.00088844
-0.00197687 -0.00433516 0.02258003
9.10649018 11.72346205 7.49577461
0.00062182 -0.00032914 0.00069971
0.02916281 -0.03192342 0.01350445
23.53180451 27.36233115 -2.45136266
0.00156020 0.00018496 -0.00031086
-0.00237048 0.01181904 -0.00647406
23.17207627 30.27868003 -1.84517835
-0.00035723 -0.00041091 0.00021365
-0.00342426 -0.01577597 -0.00679855
10.89562318 -0.79060877 -14.53002959
0.00065896 -0.00083170 0.00019439
0.03310268 -0.00963108 0.00350698
8.16620584 -1.57491603 -14.49716523
0.00033929 0.00049412 -0.00077922
0.00494591 -0.00334962 0.00438500
-9.81502123 -0.80706579 14.35032609
0.00035182 -0.00019900 -0.00009992
0.00711917 -0.01817120 -0.02760584
-9.43678044 -2.46366160 11.66131362
0.00039010 -0.00098460 -0.00092732
-0.01491484 -0.01962889 0.00702759
-2.92038040 -26.38716823 12.12534484
-0.00095000 -0.00026868 0.00042237
-0.00057752 0.00118533 -0.01908161
-3.23338526 -25.81038020 9.04847606
-0.00019181 0.00012025 0.00046737
-0.00798790 -0.00020939 0.00213261
-14.63924573 -2.62444925 -6.27127087
-0.00036384 0.00004822 -0.00029540
-0.00250210 -0.00919744 -0.00177382
-16.20271122 -3.48006765 -8.52107818
0.00044152 -0.00059586 -0.00075005
-0.00864310 0.00030504 -0.00994019
-18.96759776 -9.21948340 -18.84495997
-0.00049430 -0.00109385 -0.00051255
0.00442323 -0.03938860 0.00525465
-18.26747902 -12.36047766 -18.79279471
0.00022403 -0.00001630 -0.00038015
0.00958612 0.01289751 -0.01061803
22.58550268 5.83204535 3.51477436
0.00025258 -0.00088364 0.00044835
0.00577983 0.01521257 -0.00900732
20.32404234 6.57778433 5.37586923
-0.00034495 -0.00065312 0.00061911
0.00547109 0.00546205 -0.00712847
18.17662018 -10.90838804 -11.98702556
0.00115562 -0.00008055 -0.00133750
-0.00283370 -0.00518858 0.00889724
18.32858216 -10.73352653 -14.74136604
0.00057618 0.00021214 0.00075013
-0.00300874 0.00582498 -0.01914595
-2.20551666 1.24819733 -7.27595892
0.00149532 -0.00060086 0.00055821
0.00895911 -0.00256800 -0.00070294
-4.67319601 0.35207558 -6.12459413
-0.00045351 0.00024510 -0.00002435
0.00299201 -0.00574274 -0.00194326
-2.80349748 -4.50302986 -18.28009423
-0.00008995 -0.00011854 -0.00097860
-0.01953761 0.01684584 0.01186986
-3.63923792 -1.73074784 -18.59737564
0.00003720 -0.00008280 0.00009719
0.00015540 0.01978604 -0.00780797
13.79081041 17.41637314 -19.81722926
0.00040174 0.00098742 -0.00052143
-0.01345453 0.01211086 0.01544274
12.74124325 15.71019756 -22.04445862
-0.00002861 0.00025626 -0.00000139
-0.01747471 0.00030958 0.00834681
-13.75799100 17.19554106 -11.73747315
-0.00010056 -0.00020531 0.00083554
0.00807842 -0.00109522 0.01102131
-14.67538868 15.64747408 -14.13323746
-0.00011837 0.00111177 -0.00041474
0.00282821 0.03806823 0.01541094
1.67079315 15.75947546 6.40896701
0.00132723 -0.00005950 -0.00082879
0.00345661 -0.00598017 0.00784814
0.15521527 15.86374553 8.79245743
-0.00059059 -0.00027445 0.00057233
-0.04148041 0.02180336 0.02536183
-5.58161560 -8.25379636 2.75848604
0.00157048 0.00095928 -0.00112822
0.02005364 -0.01724045 0.01487855
-3.13977830 -10.25133631 2.98079215
0.00034751 -0.00063240 0.00037323
-0.03192799 0.02490538 0.00680704
1.42786767 -3.62105345 3.06702067
-0.00135225 0.00040725 0.00091231
0.00835048 -0.01654216 0.00279025
3.17908683 -4.37026791 0.92666558
0.00050773 0.00044737 -0.00043645
-0.02581541 -0.03622877 0.03966214
8.36458458 7.81672823 3.54816687
0.00042060 -0.00034049 0.00082721
-0.01967612 0.00654279 -0.01369555
11.23592929 7.96810759 4.03188026
-0.00056950 -0.00041026 -0.00081256
0.00677053 0.00137911 0.00102698
-7.82278837 -11.30681666 -2.37556140
0.00142543 -0.00008902 0.00018062
-0.01089080 -0.00206110 -0.00607919
-10.27128971 -9.93893111 -1.26146939
-0.00034886 -0.00010848 -0.00038560
0.00806416 0.00091919 -0.01296271
5.27570590 -15.51276973 -12.52243268
-0.00017252 -0.00096992 0.00035536
0.00049405 -0.00822991 -0.00700862
2.79344443 -16.73881198 -11.96744633
0.00055203 0.00075589 0.00073167
-0.02997730 -0.04344245 0.04328765
4.89474600 -5.00671388 -4.67765278
0.00064011 0.00037287 0.00048826
-0.00229145 0.00223147 -0.00405400
5.01965035 -6.78803924 -2.44419357
0.00042836 0.00089382 -0.00080246
-0.02064729 0.01549401 -0.01123237
16.78792056 2.59552433 24.08596503
-0.00035882 -0.00001993 0.00012478
-0.00624179 0.00507262 0.00719295
19.39132728 3.08913012 25.60720094
0.00019448 -0.00066460 -0.00013801
-0.00508018 0.00664725 -0.00570445
-9.61022587 1.01081837 1.45261921
-0.00022738 -0.00015479 0.00034182
-0.00418133 -0.00081128 0.00152067
-9.91496248 3.66729522 2.60180339
-0.00062429 -0.00123406 0.00059535
0.00469917 -0.00186860 -0.00652531
-5.03892720 13.62804067 -8.71221849
0.00036680 -0.00045267 0.00062799
-0.00433142 0.00967149 0.00145599
-7.69930200 12.39812557 -8.84145374
0.00005644 -0.00029420 0.00035918
0.00546706 0.00229424 -0.00850984
0.98185153 11.81275019 -6.60568679
0.00126951 0.00012916 0.00103642
0.00006948 0.01048663 -0.01076089
1.87641493 14.56433322 -6.31058421
-0.00032383 -0.00022903 0.00114267
0.00486764 -0.01696287 -0.01354263
-10.56301112 8.25227773 -12.90280327
-0.00060007 0.00039768 -0.00023956
-0.00321803 0.04134981 0.00237445
-11.97491781 9.90201457 -11.04569800
0.00020701 0.00006948 0.00079831
-0.00316128 0.00713076 0.00653218
7.64239319 5.18422951 13.16775089
0.00084764 0.00059631 0.00034515
-0.00892946 0.01244930 -0.02042082
9.73423670 3.88798245 14.52270132
-0.00035508 0.00039618 -0.00039276
-0.00702522 0.00165509 -0.00322190
-14.10680810 10.46721325 -7.18172485
0.00005576 0.00114051 0.00083845
-0.01347151 0.00312897 -0.01764110
-16.92235707 10.84247510 -7.96759051
-0.00026813 -0.00007053 0.00009254
-0.00766607 0.00977562 0.00138707
9.13725601 9.43251331 -2.19212329
0.00063377 -0.00010369 0.00063434
-0.00697653 -0.02733136 -0.02117711
7.90731298 8.11214803 -4.51552435
-0.00027794 -0.00083430 -0.00015750
-0.03061385 0.01053135 -0.04482525
14.46746080 -19.06344188 -27.46110715
-0.00008913 -0.00035253 0.00046667
0.00448850 0.02778895 -0.01106040
13.36061743 -20.36431985 -25.10305148
-0.00009757 0.00022505 0.00002357
0.01506988 -0.00068895 -0.02110133
5.15871382 5.30669947 2.18638946
-0.00111117 0.00005230 0.00002635
0.00482301 -0.02500052 0.00670524
5.80751183 6.97713026 -0.01603613
-0.00105583 0.00047024 0.00025844
0.01387100 0.00114874 -0.03040838
19.79632183 -6.69013315 -6.74649675
0.00112156 0.00136126 0.00013133
-0.00898299 0.00873272 -0.01034737
17.42618090 -5.06259906 -6.08442492
-0.00003804 -0.00026739 -0.00048167
0.00327070 -0.00699891 -0.02428320
-2.67034495 -0.73295114 -0.96195653
0.00009275 -0.00010474 0.00006521
0.01442929 -0.02369346 -0.01576268
-2.11044693 -1.26125406 -3.84125133
0.00005868 -0.00079491 -0.00026195
0.00573291 -0.01891598 0.03035985
4.00242550 -3.45253941 -12.16093498
0.00073259 -0.00056634 -0.00054439
-0.01163439 0.00755470 -0.00099757
1.04374399 -2.75368545 -11.76502026
0.00010066 0.00003242 -0.00020889
0.01152940 0.00228402 0.00058931
19.64304243 8.32569656 -7.80974787
0.00041127 0.00080770 0.00028187
0.00169885 0.00909708 0.01517518
20.87039318 8.39480656 -5.12250673
-0.00053559 0.00000066 -0.00059208
-0.00939648 0.00598935 -0.01348985
-7.06445020 4.14190557 9.11597812
-0.00005755 0.00019845 -0.00100266
0.01450973 -0.06549059 0.01038341
-7.50540718 6.66935269 10.55179764
0.00099028 0.00007810 -0.00041378
0.00278017 -0.01019685 -0.00688478
-2.29805947 -17.79612243 11.59516994
0.00062380 -0.00018947 0.00033622
-0.00389543 -0.00972385 -0.00642547
-2.81895287 -15.29674943 10.05577986
0.00001954 -0.00050921 -0.00052868
0.00159682 -0.00733731 0.00827995
8.42996909 -0.69523097 -2.89737571
0.00046421 -0.00022850 0.00075328
0.00159470 0.01170833 -0.00420983
7.56838131 1.23876668 -5.32781469
-0.00047204 -0.00009291 0.00003676
0.00917604 -0.01579735 0.01471467
0.40757831 -11.83673704 1.88414746
-0.00020592 -0.00005464 -0.00010082
-0.00756547 0.00199791 -0.00942506
-0.89555878 -10.53750019 -0.42148803
0.00011662 -0.00014141 0.00018248
-0.00389540 -0.00501623 0.01103778
-19.68586720 -1.64862948 6.91269949
0.00043576 -0.00005265 0.00055915
0.00264865 0.01124331 -0.00337962
-21.24604300 0.53705888 5.76567066
-0.00015519 -0.00035578 0.00074328
0.02347582 -0.02156447 -0.01150327
-4.88452892 8.23462138 -26.31023795
0.00046310 -0.00032789 -0.00017718
-0.02469530 -0.00711575 0.02989961
-5.57387548 7.32025024 -23.37987794
0.00108542 0.00076792 -0.00160172
-0.00917309 0.01141814 -0.03348903
4.29205199 1.67440352 -2.62401899
-0.00060497 0.00027216 0.00056968
-0.02194497 -0.00865966 0.01241920
1.87187667 0.25749990 -1.38167758
0.00075869 -0.00087331 0.00028677
0.01065146 0.01781405 -0.01353856
14.84584782 7.34144085 5.74057532
0.00002058 -0.00015978 0.00068116
0.00707091 0.01465313 -0.00412095
15.73123274 9.80400691 4.15532305
0.00011958 0.00094928 -0.00047947
0.01033042 0.01671278 0.00983655
1.49416550 -11.77535318 -13.85133174
0.00012202 0.00000850 -0.00016297
0.00241743 0.00539755 0.00277119
-13.56283393 14.59293005 22.70897644
-0.00000195 0.00014401 0.00015782
-0.00266630 -0.00306417 0.00143345
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02431997
0.35197147
468.98433787
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547965116
ExchangeOperator: pair fraction: ispin=0: 0.1293455922
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3069573015 (a.u.)
total exchange computation time: 2.6241388321 s
-153.9040712788
-931.37751764
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547965116
ExchangeOperator: pair fraction: ispin=0: 0.1293455922
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3067943886 (a.u.)
total exchange computation time: 2.6214430332 s
-153.9066505135
Anderson extrapolation: theta=1.3887484480 (1.3887484480)
-931.37779062
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547965116
ExchangeOperator: pair fraction: ispin=0: 0.1293455922
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3064797338 (a.u.)
total exchange computation time: 2.6231420040 s
-153.9109705373
Anderson extrapolation: theta=0.0690549859 (0.0690549859)
-931.37796617
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547965116
ExchangeOperator: pair fraction: ispin=0: 0.1293455922
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3063843113 (a.u.)
total exchange computation time: 2.6219811440 s
-153.9119175230
Anderson extrapolation: theta=2.3364618666 (2.0000000000)
-931.37797671
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547965116
ExchangeOperator: pair fraction: ispin=0: 0.1293455922
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3061687039 (a.u.)
total exchange computation time: 2.6221418381 s
-153.9139411822
Anderson extrapolation: theta=0.4162464967 (0.4162464967)
-931.37799092
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547965116
ExchangeOperator: pair fraction: ispin=0: 0.1293455922
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3060811333 (a.u.)
total exchange computation time: 2.6233549118 s
-153.9146787515
Anderson extrapolation: theta=0.9698205391 (0.9698205391)
-931.37799503
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547965116
ExchangeOperator: pair fraction: ispin=0: 0.1293455922
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3060191976 (a.u.)
total exchange computation time: 2.6251440048 s
-153.9151277734
Anderson extrapolation: theta=0.5166333686 (0.5166333686)
-931.37799795
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547965116
ExchangeOperator: pair fraction: ispin=0: 0.1293455922
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3060124706 (a.u.)
total exchange computation time: 2.6229159832 s
-153.9150974501
Anderson extrapolation: theta=0.7252887279 (0.7252887279)
-931.37799907
-22.877634 -171.504419 -244.208084
-137.902221 458.256300 -804.278423
-160.779855 286.751881 -1048.486507
1098.817891
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547965116
ExchangeOperator: pair fraction: ispin=0: 0.1293455922
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3060267938 (a.u.)
total exchange computation time: 2.6226160526 s
677.97743571
-1082.06263379
89.76993882
-390.13990500
-174.61680855
77.34418620
551.60419304
0.00000000
-931.37799961
-9.23769362 -5.38255939 9.67016625
0.00011342 0.00015599 0.00031222
-0.02352937 0.01065157 -0.03071768
-13.84686685 5.05633673 9.00945650
0.00012847 -0.00011812 -0.00022473
0.00695926 0.02484045 0.00666229
-15.78867385 1.59288006 2.96145269
0.00001365 -0.00005101 -0.00007952
0.00919991 0.01575627 -0.02168741
2.45530685 -19.68362362 13.27164452
0.00002209 -0.00005550 0.00031448
0.00958294 -0.01766657 0.01208674
9.66709997 20.81441833 0.50845542
0.00046253 -0.00010394 -0.00015779
-0.01598373 -0.01867527 0.00174839
-11.12340769 12.75042808 15.17844601
-0.00013146 0.00001611 0.00007420
-0.00605370 -0.01681236 -0.02514721
-6.02805385 1.18098684 -12.99912962
0.00003257 0.00005674 0.00011402
0.00066870 -0.03650280 0.03323967
-8.98209268 6.59630451 -6.86360956
0.00021376 0.00029852 0.00013847
-0.01917034 -0.01599006 0.01070199
-7.56741481 -3.70841588 18.04196779
0.00029339 -0.00014841 -0.00004998
0.00846261 0.01241861 0.03406833
-23.32436952 -7.56360305 -23.43513290
-0.00027546 -0.00001212 -0.00025093
0.02075958 0.02366284 -0.00792878
8.29183520 12.97383050 6.54889882
0.00049201 0.00037299 -0.00005368
-0.02504464 0.03666145 -0.02424814
23.27583776 29.03054382 -3.23246683
-0.00038017 -0.00051137 0.00042926
0.00080598 0.00755302 0.00953643
9.28112260 -0.10372635 -14.61535693
0.00025444 0.00037209 0.00002707
-0.03071661 0.01449156 -0.01015342
-9.00947618 -1.04781439 12.68149051
-0.00028163 -0.00009952 -0.00020890
0.00911357 0.02652896 0.01737118
-2.11256540 -25.93504753 10.46848119
-0.00006963 0.00007008 0.00009637
0.01175975 -0.00293859 0.01389872
-15.18536326 -4.17311454 -7.21453043
-0.00015929 0.00033201 -0.00000065
0.00926443 -0.01036864 -0.00129754
-19.38988744 -10.99123288 -18.28497562
-0.00005749 0.00007919 0.00008609
-0.01085063 0.01651417 0.00452545
21.32792411 5.25908013 4.65531725
-0.00046275 0.00056748 -0.00001149
-0.00748231 -0.02442660 0.01852071
19.12621665 -11.64343259 -13.39228889
0.00071565 0.00016591 0.00035600
0.00850330 -0.00598767 -0.00165552
-3.01942348 -0.25909606 -6.63503514
-0.00046569 -0.00023209 0.00022792
-0.00714254 0.01415818 -0.00072545
-3.89055781 -3.16857277 -17.53856462
0.00030167 0.00001369 -0.00009477
0.01524514 -0.03465752 -0.00011718
14.19548299 16.43400509 -21.24204080
-0.00001167 -0.00006804 -0.00011292
0.03936131 -0.01181214 -0.01895885
-14.68677416 17.44863241 -13.26147683
0.00027011 0.00038904 -0.00030724
-0.01381296 -0.03594281 -0.01980480
1.55537961 15.07801299 8.10841474
-0.00031153 0.00009368 -0.00049398
0.03464047 -0.01861297 -0.03261855
-4.49419398 -9.25733324 3.96015057
0.00022287 0.00012740 -0.00002040
0.01070313 -0.00953611 -0.03033523
2.11632920 -5.22705138 2.35667891
0.00002150 0.00000012 -0.00013404
0.02278930 0.05956032 -0.03565661
9.68563175 7.10470889 4.49958354
-0.00012364 0.00023452 -0.00024391
0.02463176 -0.01518739 0.01576710
-9.23050511 -10.14612175 -2.78623102
-0.00023670 -0.00030042 0.00030037
0.01160497 -0.00445011 0.03151906
3.51642285 -15.60846485 -13.04933870
-0.00021706 0.00000217 -0.00033815
0.02366705 0.05142648 -0.03697688
3.76873808 -5.70264397 -3.37357563
-0.00006772 -0.00005910 0.00051669
0.02495857 -0.01489930 0.01158558
18.41724525 1.93438741 24.55579266
-0.00003459 0.00015130 -0.00007822
0.00782486 -0.02605210 -0.00900630
-8.81710809 2.65700123 1.52033371
-0.00007408 -0.00024768 -0.00002373
-0.00917366 0.00166386 0.00111022
-6.17679524 12.75870082 -9.85286187
0.00055349 -0.00032917 0.00009752
-0.01712925 -0.01437968 0.00015581
1.63009280 13.22875985 -7.61856191
-0.00004037 0.00012955 -0.00018144
-0.00202320 0.00626038 0.03189155
-10.93369339 10.10580904 -12.52451568
-0.00035609 -0.00016560 -0.00004265
0.00126669 -0.04504439 -0.00310980
7.91023804 4.10744858 14.56949471
-0.00027334 -0.00045070 0.00019407
0.01810300 -0.01896233 0.02329839
-15.54263925 9.68056451 -8.08303187
0.00030702 0.00033736 0.00047922
0.02477061 -0.00250859 0.01163322
8.77498393 7.78577022 -3.05155834
-0.00036154 0.00001052 -0.00013822
0.03380702 0.01118945 0.07186283
14.17336766 -20.68542963 -26.77358886
0.00003209 -0.00010632 0.00012308
-0.02031330 -0.01888753 0.03639204
5.02441495 6.97693354 1.57964374
0.00026501 -0.00041772 0.00029588
-0.01881157 0.02805958 0.02733919
18.34085161 -5.85321246 -7.57031330
-0.00038576 0.00006063 -0.00000689
0.01572275 0.00030923 0.04668165
-1.88895741 -2.06793885 -2.06986387
-0.00018228 -0.00012156 -0.00004041
-0.01448016 0.04153966 -0.00474865
2.77205744 -2.05010183 -12.02927693
-0.00008534 -0.00008108 0.00000184
0.00811888 -0.01482726 0.00190523
19.62689678 9.32802129 -6.21080046
0.00023328 -0.00029646 0.00022826
0.00890407 -0.02173776 0.00016601
-7.53120187 5.79746002 8.92689861
-0.00025597 -0.00031851 -0.00033922
-0.02060263 0.08830724 -0.00569150
-1.83883081 -16.06755944 11.42223532
0.00020543 -0.00012341 -0.00012006
-0.00141132 0.02202678 -0.00207873
7.56420276 -0.46526719 -4.53671330
0.00003741 0.00005628 -0.00064646
-0.00005932 0.02279278 0.01173907
-0.97638066 -12.09996058 0.63447443
-0.00013566 -0.00022599 0.00010790
0.00815259 0.00386496 0.00387367
-19.95372811 -0.75650869 5.27159092
-0.00005418 0.00053696 -0.00000391
-0.02609243 0.01394085 0.01492882
-6.34664151 7.84350077 -25.04319209
-0.00047871 0.00022075 -0.00028779
0.04678265 0.00294326 0.00820333
2.62743480 1.91826147 -1.80322804
-0.00046599 0.00019859 -0.00015929
0.00395661 -0.01427940 0.00067565
14.80031811 8.26667371 4.12420158
-0.00034086 -0.00014897 0.00001385
-0.01458542 -0.02464525 0.00022782
-8.34956830 -6.75468866 10.34901892
-0.00023580 -0.00004921 -0.00090893
0.02737892 -0.02602160 0.02522013
-10.04933700 -6.24232065 8.24658498
-0.00034982 0.00048435 -0.00005546
-0.00081780 0.01359453 0.00760573
-13.13789178 6.14033886 7.69363993
0.00027213 -0.00018673 -0.00010027
-0.00483934 -0.00284074 -0.00126746
-13.91084123 3.46292743 8.18742218
0.00002011 -0.00026977 0.00039822
0.00271897 -0.02242379 0.00215030
-15.03168928 1.72335126 4.57258010
0.00047589 -0.00045726 -0.00036278
0.02223014 0.00221870 0.02028677
-17.30181410 0.77946677 3.43018052
-0.00075563 -0.00025084 0.00068431
-0.03502565 -0.01666527 0.00489003
3.05956774 -21.35957622 12.50773874
-0.00141204 0.00028537 0.00053603
-0.00946445 0.03593579 0.02686570
3.05821908 -19.30793258 15.04530844
-0.00015450 -0.00050151 -0.00076445
-0.00668995 -0.01916812 -0.04440235
9.21100862 19.02020864 0.83020022
-0.00011942 0.00062626 -0.00164958
0.01070723 0.01021884 -0.00850529
8.25469049 21.68336970 1.36955418
0.00055066 0.00069912 0.00064667
0.00797947 0.00783116 0.00004325
-10.53770127 12.54485460 16.89258296
-0.00009684 -0.00144075 0.00023179
0.01165945 -0.00608347 0.01730691
-11.68898443 14.43998943 15.15909437
0.00039928 0.00125348 0.00076638
-0.00989066 0.02356383 -0.00641980
-5.90246354 -0.10063474 -14.27568950
-0.00046804 -0.00024995 0.00013533
0.00424374 0.00273546 -0.01148443
-6.40699566 0.06803422 -11.45957956
-0.00068793 -0.00094625 0.00013783
-0.00117544 0.03130979 -0.02310934
-8.35288310 8.20928238 -6.34668716
0.00051688 0.00019801 -0.00042387
0.00541040 0.00571588 -0.00116477
-9.98710851 6.18856689 -5.33763228
0.00077696 0.00066031 -0.00010276
0.00650125 0.00900393 -0.01649615
-7.53207889 -1.81973287 18.11031173
-0.00024749 0.00091343 -0.00010043
-0.00038082 -0.03108484 -0.00274259
-7.41755336 -4.25207619 19.87728155
0.00065714 0.00007473 0.00001541
-0.00339169 0.01052257 -0.03269520
-24.73310307 -6.45886885 -23.23718537
-0.00006927 -0.00014404 -0.00027986
-0.01671814 0.00272976 -0.00119852
-21.97525426 -6.25726275 -23.33447068
0.00057423 -0.00136816 -0.00073586
-0.00917316 -0.02313406 -0.00328559
8.71308655 13.05325033 4.73682378
-0.00068966 0.00043802 0.00096552
0.00042271 -0.00467760 0.01515375
9.11671114 11.71754674 7.50668403
0.00073241 -0.00044651 0.00074423
0.02497224 -0.02553221 0.00828869
23.55513488 27.36546780 -2.45622390
0.00155049 0.00022527 -0.00033284
-0.00238248 0.00791088 -0.00428436
23.16661287 30.27203289 -1.84218189
-0.00037125 -0.00047494 0.00018711
-0.00343950 -0.01556476 -0.00619197
10.90652187 -0.80337941 -14.52700629
0.00077814 -0.00086372 0.00020790
0.02523788 -0.00604115 0.00310577
8.17144668 -1.56760690 -14.50871913
0.00035691 0.00047872 -0.00076082
0.00368298 -0.00418704 0.00461898
-9.80952584 -0.81060758 14.34798139
0.00037879 -0.00027357 -0.00020975
0.00608511 -0.01833300 -0.02615552
-9.43138604 -2.47903215 11.64761913
0.00033262 -0.00105305 -0.00088882
-0.01321937 -0.01387590 0.01182093
-2.93464817 -26.39116212 12.13109574
-0.00094790 -0.00026197 0.00033874
0.00160562 0.00210199 -0.02185948
-3.23650714 -25.80858291 9.05555191
-0.00022588 0.00011981 0.00047255
-0.00868936 -0.00000610 0.00040644
-14.64478002 -2.62400778 -6.27575628
-0.00037268 0.00001582 -0.00030093
-0.00182689 -0.00666114 -0.00093184
-16.19635323 -3.48899618 -8.53263348
0.00040514 -0.00059325 -0.00079142
-0.00916745 0.00097109 -0.01031150
-18.97487675 -9.23709818 -18.85248723
-0.00047350 -0.00124207 -0.00049415
0.00575718 -0.03316687 0.00375460
-18.26382475 -12.36032693 -18.79882234
0.00025906 0.00003934 -0.00042169
0.00755755 0.01433983 -0.00971564
22.58946854 5.81925685 3.52122367
0.00027791 -0.00081795 0.00041031
0.00661572 0.01694260 -0.00961361
20.31903581 6.56815493 5.38493749
-0.00032709 -0.00062103 0.00059282
0.00326862 0.01024471 -0.00574263
18.19386762 -10.90975527 -12.00681544
0.00113367 -0.00009380 -0.00128081
-0.00790997 -0.00129720 0.01885458
18.33713265 -10.73016601 -14.73070085
0.00056367 0.00023654 0.00066756
-0.00311523 0.00612336 -0.02127170
-2.18281233 1.23910573 -7.26760733
0.00152634 -0.00061693 0.00055831
0.00622329 -0.00529762 0.00075416
-4.67990696 0.35557613 -6.12501888
-0.00043903 0.00022274 -0.00003306
0.00409396 -0.00520412 -0.00232393
-2.80544547 -4.50429173 -18.29440956
-0.00017078 -0.00004829 -0.00092849
-0.02002696 0.01754163 0.01265902
-3.63867517 -1.73138361 -18.59615706
0.00003808 0.00000083 0.00006340
0.00027402 0.02115313 -0.00873245
13.79642417 17.43155551 -19.82457756
0.00034745 0.00103474 -0.00046171
-0.01311792 0.01105464 0.01379339
12.74027861 15.71405091 -22.04422376
-0.00010219 0.00025672 0.00003180
-0.01854113 -0.00008312 0.00789977
-13.75925183 17.19242785 -11.72460240
-0.00007508 -0.00020822 0.00086772
0.00439170 -0.00032888 0.00473316
-14.67707750 15.66531720 -14.13898638
-0.00010616 0.00126203 -0.00035297
0.00314465 0.03548481 0.01482637
1.69080752 15.75839975 6.39677571
0.00133716 -0.00008418 -0.00079027
0.00140460 -0.00610285 0.01100576
0.14508526 15.86029694 8.80181962
-0.00075042 -0.00018905 0.00066786
-0.03675384 0.01999718 0.02139808
-5.55744390 -8.23993551 2.74201868
0.00165250 0.00088637 -0.00106384
0.02009813 -0.01844870 0.01663574
-3.13554404 -10.26005918 2.98659913
0.00021629 -0.00052929 0.00040191
-0.03230240 0.02557098 0.00723413
1.40783975 -3.61545168 3.08079076
-0.00131051 0.00032812 0.00091555
0.01208200 -0.02219090 -0.00120109
3.18591177 -4.36466749 0.92133417
0.00039831 0.00029857 -0.00026966
-0.02774751 -0.03661323 0.04198554
8.37029070 7.81182136 3.56015530
0.00032374 -0.00030529 0.00075979
-0.02774048 0.01068852 -0.01930538
11.22759420 7.96199599 4.01972328
-0.00053500 -0.00040111 -0.00080990
0.01012170 0.00309895 0.00027482
-7.80174071 -11.30821506 -2.37303843
0.00136929 -0.00008998 0.00015411
-0.01659017 0.00158875 -0.00689556
-10.27627555 -9.94053021 -1.26765064
-0.00031842 -0.00010466 -0.00043201
0.00683588 0.00095303 -0.00975490
5.27313330 -15.52757065 -12.51731706
-0.00017128 -0.00100118 0.00032357
0.00011240 -0.00707456 -0.00855487
2.80080626 -16.72880487 -11.95514475
0.00042668 0.00057836 0.00090894
-0.03138262 -0.04345926 0.04348710
4.90427748 -5.00105251 -4.67045317
0.00062369 0.00038036 0.00047532
-0.00574769 0.00143537 -0.00227780
5.02544302 -6.77415708 -2.45657464
0.00034959 0.00094897 -0.00084009
-0.01790979 0.01149908 -0.00719031
16.78234705 2.59538083 24.08805716
-0.00038133 0.00000049 0.00015542
-0.00477764 0.00492194 0.00780432
19.39408882 3.07936480 25.60495603
0.00017578 -0.00063282 -0.00015786
-0.00407519 0.00890815 -0.00401435
-9.61376470 1.00847169 1.45779306
-0.00024308 -0.00015980 0.00034646
-0.00350140 -0.00164249 0.00075365
-9.92418289 3.64872701 2.61053363
-0.00060267 -0.00124048 0.00056743
0.00588680 -0.00127200 -0.00713931
-5.03355791 13.62154706 -8.70275398
0.00034798 -0.00041450 0.00063194
-0.00487952 0.00900907 0.00047720
-7.69828792 12.39378293 -8.83632685
0.00008443 -0.00028311 0.00032022
0.00823587 0.00313001 -0.01056127
1.00089635 11.81500898 -6.59047025
0.00126986 0.00017182 0.00098893
0.00010112 0.01039561 -0.01248554
1.87170659 14.56037800 -6.29385908
-0.00030341 -0.00030050 0.00108055
0.00512995 -0.01802510 -0.01686590
-10.57211084 8.25951006 -12.90632395
-0.00061199 0.00056015 -0.00023066
-0.00261567 0.03817729 0.00198137
-11.97190950 9.90327532 -11.03352317
0.00019731 0.00009892 0.00082035
-0.00158814 0.00727704 0.00425463
7.65483418 5.19355560 13.17230243
0.00080959 0.00064377 0.00026726
-0.00969655 0.01078589 -0.01770637
9.72869516 3.89397591 14.51671115
-0.00037999 0.00040034 -0.00040337
-0.00516527 0.00037946 -0.00196825
-14.10638453 10.48441685 -7.16968865
-0.00000167 0.00115170 0.00076459
-0.01463922 0.00234804 -0.01851236
-16.92661390 10.84171676 -7.96615984
-0.00029709 -0.00003245 0.00009794
-0.00651283 0.00886210 0.00125559
9.14654873 9.43012045 -2.18325707
0.00060241 -0.00021883 0.00054305
-0.00837327 -0.02903323 -0.02350985
7.90220580 8.09995627 -4.51926050
-0.00040348 -0.00078883 -0.00034157
-0.03084011 0.01172408 -0.04527779
14.46626138 -19.06787836 -27.45444604
-0.00006935 -0.00023394 0.00041825
0.00519645 0.03026543 -0.01264053
13.35961569 -20.36096520 -25.10334452
-0.00003632 0.00022123 -0.00006192
0.01491276 -0.00118294 -0.02074879
5.14219407 5.30671788 2.18699021
-0.00108987 -0.00005911 0.00005543
0.00560324 -0.02953690 0.00752797
5.79209949 6.98421906 -0.01309139
-0.00099533 0.00047340 0.00012675
0.01574098 0.00040019 -0.03405485
19.81286999 -6.66944662 -6.74484395
0.00107742 0.00139982 0.00008499
-0.01262373 0.01014122 -0.01233650
17.42571053 -5.06682438 -6.09239411
-0.00002877 -0.00029231 -0.00057456
0.00126511 -0.00519819 -0.02118716
-2.66851154 -0.73524825 -0.96146138
0.00015108 -0.00020041 0.00000031
0.01412378 -0.02314086 -0.01600847
-2.10939106 -1.27375742 -3.84425026
0.00008075 -0.00087022 -0.00013830
0.00506984 -0.01794564 0.03016887
4.01305787 -3.46080296 -12.16913139
0.00067698 -0.00052706 -0.00054733
-0.01558715 0.01167338 -0.00044373
1.04560722 -2.75312920 -11.76813562
0.00014506 0.00003974 -0.00020602
0.01020127 0.00130247 0.00081991
19.64926360 8.33809086 -7.80505475
0.00041764 0.00084047 0.00033697
0.00141976 0.00694177 0.01179603
20.86207145 8.39500002 -5.13180138
-0.00056541 0.00001940 -0.00063961
-0.00520239 0.00318109 -0.00977496
-7.06486880 4.14287543 9.10125641
0.00000454 -0.00007707 -0.00095873
0.01588446 -0.06937537 0.01112118
-7.49046784 6.67021172 10.54537998
0.00100129 0.00003473 -0.00044376
0.00260967 -0.01103367 -0.00778883
-2.28882180 -17.79926239 11.60001633
0.00060783 -0.00022900 0.00030986
-0.00392319 -0.00962671 -0.00647674
-2.81861081 -15.30461248 10.04810342
0.00002802 -0.00054084 -0.00049191
0.00255555 -0.00814492 0.00971573
8.43698110 -0.69829970 -2.88620552
0.00046198 -0.00017831 0.00071998
-0.00268604 0.01285867 -0.01208868
7.56158184 1.23688900 -5.32681244
-0.00043413 -0.00015224 0.00009439
0.00938124 -0.01324575 0.01349893
0.40425764 -11.83749547 1.88234629
-0.00023536 -0.00004725 -0.00013728
-0.00684566 0.00162082 -0.00842241
-0.89392887 -10.53977499 -0.41841261
0.00009981 -0.00016202 0.00022707
-0.00433448 -0.00507290 0.01078884
-19.67924962 -1.64907475 6.92098314
0.00044530 -0.00000253 0.00053764
0.00201916 0.01329331 -0.00715058
-21.24765150 0.53106143 5.77646741
-0.00006271 -0.00043959 0.00069666
0.02179425 -0.01946137 -0.01131824
-4.87833916 8.22948492 -26.31197937
0.00035679 -0.00035627 -0.00005582
-0.02734310 -0.00677232 0.02950352
-5.55787526 7.33211895 -23.40493000
0.00104812 0.00081115 -0.00172810
-0.00908702 0.00974422 -0.02837148
4.28230504 1.67822057 -2.61509323
-0.00068767 0.00023734 0.00061693
-0.01854158 -0.00838569 0.01070910
1.88358336 0.24494612 -1.37779085
0.00080270 -0.00079340 0.00023057
0.01089290 0.02130456 -0.01397177
14.84637316 7.33949315 5.75066649
0.00004912 -0.00009611 0.00065803
0.00690083 0.01651647 -0.00720357
15.73334297 9.81875823 4.14843238
0.00015137 0.00100030 -0.00043934
0.00523316 0.00825973 0.00980926
1.49600227 -11.77521120 -13.85376886
0.00012292 0.00001045 -0.00016200
0.00259315 0.00548934 0.00265896
-13.56286787 14.59508486 22.71134621
-0.00000259 0.00014332 0.00015811
-0.00278449 -0.00291723 0.00110926
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02483454
0.35316506
470.57473911
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1283504597
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3054840508 (a.u.)
total exchange computation time: 2.6411142349 s
-153.9056256809
-931.37876135
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1283504597
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3054041318 (a.u.)
total exchange computation time: 2.6388969421 s
-153.9075950057
Anderson extrapolation: theta=1.3726265293 (1.3726265293)
-931.37902454
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1283504597
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3052302925 (a.u.)
total exchange computation time: 2.6392419338 s
-153.9109285173
Anderson extrapolation: theta=0.0623441073 (0.0623441073)
-931.37918948
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1283504597
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3051666997 (a.u.)
total exchange computation time: 2.6384248734 s
-153.9116853049
Anderson extrapolation: theta=2.1914867608 (2.0000000000)
-931.37919811
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1283504597
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3050279884 (a.u.)
total exchange computation time: 2.6382598877 s
-153.9132563406
Anderson extrapolation: theta=0.3380940665 (0.3380940665)
-931.37920932
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1283504597
ExchangeOperator: bisection time: 1.156 s
total exchange = -52.3049891523 (a.u.)
total exchange computation time: 2.6390540600 s
-153.9136616873
Anderson extrapolation: theta=1.2439452087 (1.2439452087)
-931.37921232
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1283504597
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3049668657 (a.u.)
total exchange computation time: 2.6405811310 s
-153.9138838576
Anderson extrapolation: theta=0.4139632103 (0.4139632103)
-931.37921517
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1283504597
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3049829495 (a.u.)
total exchange computation time: 2.6388659477 s
-153.9137144264
Anderson extrapolation: theta=0.9018514589 (0.9018514589)
-931.37921620
-22.834240 -171.516145 -244.152601
-137.863985 458.228209 -804.286874
-160.698225 286.712064 -1048.439476
1098.750682
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1283504597
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3050150308 (a.u.)
total exchange computation time: 2.5547537804 s
677.96641434
-1082.02966816
89.76786350
-390.16366019
-174.61515138
77.32687074
551.60419304
0.00000000
-931.37921692
-9.23608315 -5.38017844 9.67473106
0.00010063 0.00016187 0.00029565
-0.02618411 0.01221918 -0.03371827
-13.84491301 5.05466070 9.00611121
0.00013192 -0.00010520 -0.00022099
0.00645190 0.02540095 0.00789694
-15.78843363 1.59217569 2.96017626
0.00001653 -0.00004402 -0.00009025
0.00200973 0.01141203 -0.02002661
2.45567517 -19.68452425 13.27640839
0.00002596 -0.00006396 0.00031943
0.00545026 -0.01524620 0.00716560
9.67397620 20.81278723 0.50609531
0.00045388 -0.00011160 -0.00015682
-0.01765238 -0.01110414 0.00203325
-11.12540301 12.75060489 15.17946196
-0.00013515 0.00000950 0.00006165
-0.00826305 -0.00890265 -0.02362430
-6.02756274 1.18169712 -12.99729113
0.00003273 0.00003703 0.00013138
-0.00005657 -0.04012345 0.03425568
-8.97896024 6.60072061 -6.86149125
0.00020435 0.00029033 0.00014304
-0.01741036 -0.01587336 0.00708680
-7.56298126 -3.71059408 18.04134950
0.00029770 -0.00014050 -0.00003252
0.00828470 0.01831918 0.03383116
-23.32842139 -7.56369350 -23.43892737
-0.00026478 -0.00000106 -0.00025514
0.02079408 0.01933035 -0.00847270
8.29911879 12.97956674 6.54800015
0.00047975 0.00039008 -0.00006248
-0.02263574 0.02978751 -0.00997464
23.27013825 29.02290246 -3.22599117
-0.00037987 -0.00050658 0.00043338
0.00039574 0.01106809 0.00650653
9.28482065 -0.09808904 -14.61499005
0.00024114 0.00037874 0.00002191
-0.02097115 0.01134832 -0.00990409
-9.01366550 -1.04920491 12.67842407
-0.00027705 -0.00008744 -0.00020179
0.00870052 0.02046532 0.01026862
-2.11356445 -25.93400770 10.46998033
-0.00006393 0.00006826 0.00010453
0.01037684 -0.00414658 0.01782994
-15.18771684 -4.16817442 -7.21454523
-0.00015469 0.00032579 -0.00000159
0.00862761 -0.01380692 -0.00233896
-19.39079170 -10.98998137 -18.28366677
-0.00006290 0.00008541 0.00008864
-0.01017621 0.00768359 0.00537851
21.32095406 5.26749817 4.65521637
-0.00046607 0.00055334 -0.00000237
-0.00542836 -0.03058837 0.01694460
19.13698414 -11.64096706 -13.38695521
0.00072135 0.00016175 0.00035290
0.01366139 -0.01016520 -0.01039602
-3.02643636 -0.26252279 -6.63161918
-0.00046878 -0.00022426 0.00022720
-0.00486131 0.01630490 -0.00207656
-3.88597395 -3.16850105 -17.53998660
0.00030949 -0.00000433 -0.00009485
0.01517602 -0.03541242 -0.00018971
14.19545971 16.43293894 -21.24380766
0.00000865 -0.00007364 -0.00012197
0.03965613 -0.00996266 -0.01626654
-14.68277575 17.45432935 -13.26616186
0.00026385 0.00037116 -0.00031549
-0.01053974 -0.03358526 -0.01225508
1.55084023 15.07934633 8.10087925
-0.00029481 0.00008478 -0.00051025
0.03040702 -0.01597378 -0.03064176
-4.49080961 -9.25545902 3.95972761
0.00022833 0.00012261 -0.00003637
0.01052851 -0.00909640 -0.03178238
2.11673961 -5.22681980 2.35453081
0.00003267 0.00003195 -0.00015178
0.02064125 0.06420532 -0.03333924
9.68387221 7.10816805 4.49598563
-0.00010986 0.00022531 -0.00023425
0.02894716 -0.02059374 0.02181378
-9.23401086 -10.15064527 -2.78160383
-0.00022908 -0.00030359 0.00031573
0.01803381 -0.00785231 0.02818302
3.51325828 -15.60823396 -13.05455365
-0.00020480 0.00002766 -0.00035626
0.02399190 0.04771682 -0.03341061
3.76781862 -5.70358800 -3.36578055
-0.00005494 -0.00006545 0.00052101
0.02474264 -0.00976977 0.00521760
18.41675655 1.93655649 24.55458458
-0.00003128 0.00013745 -0.00008343
0.00507439 -0.02781487 -0.01123385
-8.81825468 2.65329245 1.51998211
-0.00007921 -0.00024681 -0.00002284
-0.01075609 0.00172142 0.00231913
-6.16855890 12.75370782 -9.85139844
0.00054416 -0.00033655 0.00009832
-0.01917940 -0.01433649 0.00293102
1.62947943 13.23072720 -7.62116049
-0.00004142 0.00013304 -0.00016389
-0.00207393 0.00730679 0.03636191
-10.93902991 10.10315127 -12.52516746
-0.00035610 -0.00018765 -0.00004347
-0.00128158 -0.04071056 -0.00007078
7.90620772 4.10061494 14.57249560
-0.00026442 -0.00045946 0.00020481
0.01661159 -0.01510144 0.01846061
-15.53793835 9.68561528 -8.07579863
0.00031957 0.00033653 0.00048541
0.02402495 -0.00071976 0.01242896
8.76969130 7.78597115 -3.05335444
-0.00034415 0.00001632 -0.00010133
0.03380510 0.01135897 0.07159811
14.17377071 -20.68709721 -26.77160227
0.00002163 -0.00011624 0.00014181
-0.02038900 -0.01971362 0.03643839
5.02831753 6.97077603 1.58418740
0.00025491 -0.00040214 0.00031040
-0.02047200 0.03251176 0.02910734
18.33512592 -5.85230187 -7.57023664
-0.00037623 0.00006003 0.00001657
0.02131986 -0.00264337 0.04455373
-1.89174750 -2.06960198 -2.07048829
-0.00018943 -0.00010079 -0.00004265
-0.01332132 0.03921217 -0.00398774
2.77080859 -2.05137527 -12.02924203
-0.00007987 -0.00008938 0.00000252
0.01318527 -0.01743885 0.00074310
19.63043036 9.32349050 -6.20737599
0.00023671 -0.00030619 0.00022825
0.00440975 -0.01610553 -0.00017061
-7.53512095 5.79302305 8.92178837
-0.00026664 -0.00027278 -0.00034207
-0.02087031 0.08951046 -0.00538401
-1.83575474 -16.06932563 11.42042637
0.00020449 -0.00011208 -0.00012138
-0.00224245 0.02203621 -0.00304125
7.56476375 -0.46433502 -4.54636496
0.00003837 0.00006698 -0.00063802
0.00377817 0.01879349 0.02107428
-0.97838406 -12.10333548 0.63610788
-0.00013163 -0.00022392 0.00010965
0.00750387 0.00416095 0.00293236
-19.95464139 -0.74840048 5.27158990
-0.00006686 0.00054296 0.00000457
-0.02324861 0.00936272 0.01803542
-6.35364177 7.84682334 -25.04747729
-0.00045421 0.00022263 -0.00028481
0.04851185 0.00438983 0.00339948
2.62046023 1.92118530 -1.80561471
-0.00046487 0.00019042 -0.00015837
0.00039178 -0.01750424 0.00289735
14.79514899 8.26434402 4.12441014
-0.00034699 -0.00015985 0.00001464
-0.00924529 -0.01765287 0.00284883
-8.35226632 -6.75622416 10.33615774
-0.00011967 -0.00016116 -0.00080255
0.02946597 -0.02878015 0.02685678
-10.05460938 -6.23463887 8.24598613
-0.00035186 0.00054231 -0.00002164
-0.00018153 0.01477915 0.00894888
-13.13395808 6.13745082 7.69209706
0.00025258 -0.00019850 -0.00010659
-0.00473363 -0.00291706 -0.00182834
-13.91045620 3.45819377 8.19346137
0.00003157 -0.00036232 0.00040579
0.00289031 -0.02287819 0.00155527
-15.02386974 1.71656030 4.56776004
0.00056677 -0.00044791 -0.00027922
0.02225615 0.00235911 0.02061635
-17.31422189 0.77519348 3.44059499
-0.00088368 -0.00031106 0.00070043
-0.02765640 -0.01281101 0.00300062
3.03809711 -21.35419453 12.51660246
-0.00144646 0.00042451 0.00064218
-0.00738377 0.03217465 0.02509562
3.05569661 -19.31604261 15.03248099
-0.00017734 -0.00057697 -0.00093202
-0.00449156 -0.01777016 -0.03762331
9.20954536 19.02991574 0.80519585
-0.00007839 0.00065769 -0.00168125
0.00937684 0.00516559 -0.00699510
8.26319492 21.69409651 1.37925554
0.00058819 0.00072642 0.00064298
0.01039144 0.00553212 -0.00185007
-10.53879653 12.52305687 16.89659020
-0.00005092 -0.00146344 0.00029825
0.01081556 -0.00501886 0.01522483
-11.68329828 14.45951366 15.17039328
0.00036563 0.00133153 0.00074206
-0.00658005 0.01464198 -0.00548274
-5.90935417 -0.10430021 -14.27401147
-0.00045053 -0.00023624 0.00008952
0.00432772 0.00397590 -0.01094054
-6.41735065 0.05479998 -11.45822029
-0.00069133 -0.00081324 0.00004031
-0.00048988 0.03379848 -0.02462759
-8.34496415 8.21242766 -6.35308095
0.00053963 0.00022300 -0.00042837
0.00572859 0.00651825 -0.00103565
-9.97525492 6.19874747 -5.33967912
0.00079887 0.00069499 -0.00016345
0.00422539 0.00797343 -0.01321306
-7.53580299 -1.80698390 18.10872120
-0.00024877 0.00077459 -0.00011185
-0.00024266 -0.03687828 -0.00284718
-7.40780019 -4.25063284 19.87651085
0.00064291 0.00011745 -0.00011760
-0.00357644 0.01038960 -0.03241276
-24.73465442 -6.46094587 -23.24142002
-0.00013848 -0.00012934 -0.00028432
-0.01716201 0.00446672 -0.00098469
-21.96692191 -6.27849409 -23.34560923
0.00053807 -0.00145750 -0.00074835
-0.00852797 -0.02059604 -0.00283037
8.70275456 13.05967722 4.75177096
-0.00068289 0.00041832 0.00101020
0.00289205 -0.00496321 0.00671639
9.12846255 11.71006666 7.51810143
0.00082510 -0.00053653 0.00076652
0.02039979 -0.01853195 0.00262501
23.57831924 27.36908927 -2.46134772
0.00154110 0.00024933 -0.00034583
-0.00221472 0.00386549 -0.00207577
23.16093868 30.26443185 -1.83956491
-0.00038535 -0.00053743 0.00016369
-0.00346335 -0.01502382 -0.00527674
10.91896730 -0.81652030 -14.52379264
0.00086385 -0.00088019 0.00021967
0.01671823 -0.00202279 0.00265554
8.17691322 -1.56055438 -14.51998996
0.00036941 0.00045993 -0.00074154
0.00243308 -0.00500988 0.00482024
-9.80365751 -0.81527293 14.34403372
0.00040094 -0.00034841 -0.00031200
0.00475489 -0.01830022 -0.02389906
-9.42680181 -2.49525310 11.63464910
0.00028208 -0.00109796 -0.00083092
-0.01152143 -0.00810776 0.01652076
-2.94881753 -26.39502718 12.13550696
-0.00093728 -0.00025173 0.00024484
0.00359704 0.00291052 -0.02410343
-3.24016156 -25.80678600 9.06265267
-0.00026250 0.00012018 0.00047102
-0.00923730 0.00018847 -0.00115841
-14.65042627 -2.62397455 -6.28029880
-0.00037868 -0.00000587 -0.00030289
-0.00110545 -0.00395607 -0.00002724
-16.19055708 -3.49786519 -8.54482073
0.00036733 -0.00058837 -0.00083338
-0.00933835 0.00141829 -0.01022898
-18.98180290 -9.25674563 -18.85978437
-0.00044689 -0.00136254 -0.00048266
0.00726956 -0.02580148 0.00186643
-18.25970730 -12.35929736 -18.80544539
0.00028574 0.00010062 -0.00045938
0.00550408 0.01565651 -0.00873455
22.59383985 5.80750670 3.52708380
0.00030555 -0.00074594 0.00037090
0.00691845 0.01830882 -0.00967930
20.31422960 6.55915339 5.39365381
-0.00031837 -0.00056956 0.00057250
0.00100205 0.01495242 -0.00420513
18.21063028 -10.91120200 -12.02544980
0.00109033 -0.00009063 -0.00118303
-0.01330448 0.00284608 0.02900669
18.34549222 -10.72643020 -14.72133932
0.00055132 0.00026150 0.00057751
-0.00293012 0.00609249 -0.02280490
-2.15972659 1.22968946 -7.25920952
0.00154582 -0.00064410 0.00056435
0.00331609 -0.00800227 0.00220323
-4.68636701 0.35875773 -6.12558606
-0.00042041 0.00020275 -0.00004320
0.00502382 -0.00457816 -0.00263560
-2.80862083 -4.50447854 -18.30794906
-0.00025256 0.00002361 -0.00087586
-0.02000452 0.01765282 0.01310553
-3.63809561 -1.73072297 -18.59547366
0.00003919 0.00008867 0.00002687
0.00027230 0.02184600 -0.00915004
13.80123398 17.44741538 -19.83108052
0.00029507 0.00107658 -0.00041025
-0.01252542 0.00942365 0.01139834
12.73817765 15.71789915 -22.04350477
-0.00017939 0.00025590 0.00006346
-0.01924924 -0.00031752 0.00760011
-13.76024352 17.18929448 -11.71144157
-0.00006465 -0.00020783 0.00087408
0.00071363 0.00052171 -0.00161952
-14.67857360 15.68533505 -14.14382664
-0.00009287 0.00140029 -0.00029436
0.00336421 0.03219319 0.01386520
1.71090798 15.75695002 6.38525891
0.00133884 -0.00010894 -0.00073983
-0.00058140 -0.00601892 0.01368672
0.13270274 15.85807391 8.81249321
-0.00088784 -0.00011258 0.00074549
-0.03051546 0.01743656 0.01660501
-5.53204046 -8.22720531 2.72657086
0.00173388 0.00080921 -0.00099296
0.01973689 -0.01932097 0.01806187
-3.13328947 -10.26721490 2.99284946
0.00008476 -0.00042432 0.00043171
-0.03208609 0.02581192 0.00735222
1.38855230 -3.61120990 3.09448724
-0.00125422 0.00022778 0.00090326
0.01547126 -0.02692347 -0.00481498
3.19103617 -4.36131095 0.91857590
0.00028235 0.00014928 -0.00009533
-0.02901538 -0.03646285 0.04334907
8.37429672 7.80756956 3.57096057
0.00019529 -0.00025395 0.00067061
-0.03513463 0.01444320 -0.02434776
11.21987943 7.95607432 4.00758313
-0.00048723 -0.00038514 -0.00081035
0.01326039 0.00471667 -0.00049063
-7.78170980 -11.30951609 -2.37093806
0.00129085 -0.00007706 0.00012464
-0.02180664 0.00473499 -0.00752868
-10.28084245 -9.94207090 -1.27442972
-0.00029365 -0.00010053 -0.00046451
0.00528951 0.00106840 -0.00615476
5.27056759 -15.54280514 -12.51272572
-0.00017138 -0.00102776 0.00028552
-0.00016449 -0.00593776 -0.01006774
2.80624476 -16.72146121 -11.94017801
0.00029879 0.00040566 0.00108226
-0.03121924 -0.04107872 0.04135020
4.91345670 -4.99530318 -4.66339317
0.00059334 0.00038466 0.00046939
-0.00911005 0.00067260 -0.00062490
5.03013807 -6.75957019 -2.46939637
0.00028337 0.00098685 -0.00086052
-0.01450466 0.00704364 -0.00280629
16.77648074 2.59553897 24.09062759
-0.00039756 0.00002009 0.00018860
-0.00316713 0.00467200 0.00843602
19.39660061 3.07014543 25.60246509
0.00016121 -0.00059200 -0.00017079
-0.00305500 0.01107656 -0.00231569
-9.61751812 1.00602435 1.46301309
-0.00025591 -0.00016805 0.00034793
-0.00278294 -0.00239342 -0.00003594
-9.93304253 3.63008084 2.61882633
-0.00057645 -0.00124418 0.00053726
0.00694489 -0.00053752 -0.00762924
-5.02848767 13.61560558 -8.69326022
0.00032684 -0.00037911 0.00063174
-0.00547125 0.00831514 -0.00057471
-7.69676910 12.38963213 -8.83184723
0.00012288 -0.00026889 0.00027346
0.01058596 0.00383443 -0.01232785
1.01994737 11.81790488 -6.57601889
0.00127005 0.00021358 0.00093476
-0.00000702 0.01004282 -0.01402931
1.86731265 14.55531809 -6.27816759
-0.00028180 -0.00037520 0.00100579
0.00544591 -0.01853906 -0.01973007
-10.58137087 8.26908212 -12.90972321
-0.00062104 0.00070741 -0.00022384
-0.00181576 0.03391093 0.00135991
-11.96899852 9.90498205 -11.02108760
0.00019412 0.00012889 0.00083279
0.00002662 0.00739684 0.00183688
7.66668090 5.20354271 13.17576881
0.00076863 0.00068312 0.00020192
-0.01035306 0.00847214 -0.01427879
9.72283706 3.89999262 14.51060036
-0.00039686 0.00039924 -0.00040894
-0.00309336 -0.00091797 -0.00075936
-14.10685814 10.50176436 -7.15878701
-0.00006290 0.00116011 0.00068774
-0.01533434 0.00176909 -0.01910666
-16.93126989 10.84150154 -7.96465221
-0.00032065 0.00000127 0.00010272
-0.00501757 0.00764689 0.00108479
9.15532828 9.42594826 -2.17583169
0.00056579 -0.00033899 0.00044337
-0.00955176 -0.02978121 -0.02528804
7.89520855 8.08848303 -4.52577156
-0.00052701 -0.00073967 -0.00052261
-0.02963046 0.01234130 -0.04334272
14.46538043 -19.07045998 -27.44855961
-0.00004715 -0.00010775 0.00036444
0.00567029 0.03150228 -0.01370133
13.35952789 -20.35768305 -25.10490917
0.00002360 0.00021562 -0.00014462
0.01441863 -0.00156260 -0.01973123
5.12601772 5.30492609 2.18805233
-0.00106572 -0.00018687 0.00008699
0.00621822 -0.03300274 0.00792000
5.77765185 6.99133239 -0.01223374
-0.00092880 0.00047354 -0.00001684
0.01682482 -0.00033401 -0.03623307
19.82864450 -6.64813858 -6.74394720
0.00101915 0.00144347 0.00003111
-0.01589968 0.01122448 -0.01403346
17.42531769 -5.07136827 -6.10166179
-0.00002827 -0.00030940 -0.00065377
-0.00101838 -0.00316924 -0.01758638
-2.66581255 -0.73896357 -0.96194732
0.00020766 -0.00029308 -0.00006510
0.01357292 -0.02222019 -0.01600907
-2.10802449 -1.28736061 -3.84540025
0.00010003 -0.00094115 -0.00001663
0.00436751 -0.01677825 0.02938907
4.02273498 -3.46835108 -12.17735499
0.00060625 -0.00047216 -0.00054808
-0.01903666 0.01519952 0.00007828
1.04809565 -2.75249312 -11.77120073
0.00018364 0.00004294 -0.00020216
0.00868416 0.00026201 0.00106557
19.65557178 8.35091059 -7.79963870
0.00042286 0.00086405 0.00037731
0.00113245 0.00460204 0.00795145
20.85343088 8.39538844 -5.14169509
-0.00057710 0.00002588 -0.00067104
-0.00052040 -0.00000625 -0.00560883
-7.06431391 4.13959355 9.08721627
0.00007034 -0.00036150 -0.00091270
0.01632272 -0.06985765 0.01141003
-7.47536856 6.67039453 10.53848497
0.00101157 -0.00001159 -0.00047666
0.00242223 -0.01164030 -0.00832043
-2.27982458 -17.80299232 11.60446579
0.00059199 -0.00026722 0.00028325
-0.00383138 -0.00908517 -0.00654987
-2.81811214 -15.31297471 10.04102243
0.00004003 -0.00057536 -0.00044989
0.00331961 -0.00875358 0.01085628
8.44382849 -0.70058036 -2.87577620
0.00044331 -0.00012377 0.00065636
-0.00645149 0.01384281 -0.01905487
7.55535732 1.23419954 -5.32498290
-0.00039548 -0.00020011 0.00014660
0.00953714 -0.01018960 0.01205539
0.40051742 -11.83815456 1.88002894
-0.00026147 -0.00004136 -0.00016923
-0.00593422 0.00126098 -0.00721646
-0.89256460 -10.54236068 -0.41467598
0.00008122 -0.00018250 0.00027030
-0.00476392 -0.00495528 0.01037523
-19.67250830 -1.64870532 6.92882856
0.00045240 0.00005543 0.00050159
0.00145734 0.01507655 -0.01049370
-21.24792431 0.52387128 5.78657050
0.00002161 -0.00051358 0.00065130
0.01948281 -0.01676101 -0.01088500
-4.87382515 8.22393340 -26.31191262
0.00024070 -0.00038295 0.00006287
-0.02948433 -0.00628816 0.02859736
-5.54243195 7.34458485 -23.43172085
0.00101212 0.00084705 -0.00183190
-0.00853431 0.00782790 -0.02244218
4.27142175 1.68152370 -2.60551115
-0.00075520 0.00020362 0.00065660
-0.01451203 -0.00811860 0.00871272
1.89595763 0.23369802 -1.37476040
0.00084696 -0.00070039 0.00017296
0.01077205 0.02422380 -0.01422882
14.84732142 7.33855768 5.76031619
0.00007686 -0.00002554 0.00062315
0.00667869 0.01802707 -0.00986859
15.73577392 9.83401576 4.14214288
0.00016253 0.00101707 -0.00039930
0.00022842 -0.00004971 0.00979021
1.49785297 -11.77503975 -13.85619171
0.00012388 0.00001243 -0.00016107
0.00277257 0.00557958 0.00253963
-13.56291151 14.59722952 22.71371984
-0.00000324 0.00014265 0.00015833
-0.00289064 -0.00279407 0.00077033
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02465876
0.35455816
472.43097070
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1287831260
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3064617367 (a.u.)
total exchange computation time: 2.5700159073 s
-153.9085241325
-931.38054196
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1287831260
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3063458806 (a.u.)
total exchange computation time: 2.5693068504 s
-153.9104548483
Anderson extrapolation: theta=1.3667955644 (1.3667955644)
-931.38079815
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1287831260
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3060691642 (a.u.)
total exchange computation time: 2.5690960884 s
-153.9139961374
Anderson extrapolation: theta=0.0584264244 (0.0584264244)
-931.38095634
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1287831260
ExchangeOperator: bisection time: 1.156 s
total exchange = -52.3059550139 (a.u.)
total exchange computation time: 2.5691730976 s
-153.9149790816
Anderson extrapolation: theta=2.0843861997 (2.0000000000)
-931.38096372
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1287831260
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3056912084 (a.u.)
total exchange computation time: 2.5693681240 s
-153.9171257148
Anderson extrapolation: theta=0.2817915404 (0.2817915404)
-931.38097276
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1287831260
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3056066513 (a.u.)
total exchange computation time: 2.5693578720 s
-153.9177119644
Anderson extrapolation: theta=1.5738704553 (1.5738704553)
-931.38097492
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1287831260
ExchangeOperator: bisection time: 1.156 s
total exchange = -52.3054955793 (a.u.)
total exchange computation time: 2.5689740181 s
-153.9183790017
Anderson extrapolation: theta=0.3557300834 (0.3557300834)
-931.38097737
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1287831260
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3054806117 (a.u.)
total exchange computation time: 2.5689349174 s
-153.9183645622
Anderson extrapolation: theta=1.1325777136 (1.1325777136)
-931.38097811
-22.794598 -171.535163 -244.094246
-137.828513 458.199384 -804.298533
-160.623110 286.664221 -1048.392779
1098.682656
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1287831260
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3054832332 (a.u.)
total exchange computation time: 2.5694580078 s
677.97020734
-1082.03053052
89.76448730
-390.16376497
-174.61589458
77.32981047
551.60419304
0.00000000
-931.38097866
-9.23467468 -5.37770323 9.67903576
0.00008678 0.00016826 0.00027787
-0.02767945 0.01261445 -0.03541938
-13.84290939 5.05318064 9.00282685
0.00013508 -0.00009221 -0.00021668
0.00584549 0.02512807 0.00887423
-15.78817791 1.59155935 2.95874533
0.00001574 -0.00003929 -0.00009983
-0.00508870 0.00699629 -0.01725105
2.45608554 -19.68554251 13.28122755
0.00002752 -0.00007102 0.00032161
0.00061664 -0.01220137 0.00128334
9.68071625 20.81107047 0.50375089
0.00044450 -0.00011529 -0.00015572
-0.01880318 -0.00324710 0.00223983
-11.12746207 12.75071301 15.18029566
-0.00013988 0.00000695 0.00005007
-0.01016311 -0.00100338 -0.02143773
-6.02707207 1.18209785 -12.99518837
0.00003258 0.00001563 0.00014901
-0.00050402 -0.04312050 0.03430928
-8.97596211 6.60501426 -6.85931827
0.00019596 0.00028231 0.00014566
-0.01520993 -0.01530195 0.00308396
-7.55848380 -3.71263095 18.04099220
0.00030188 -0.00012980 -0.00001539
0.00798154 0.02329286 0.03278710
-23.33231285 -7.56363483 -23.44278720
-0.00025431 0.00000775 -0.00025962
0.01991150 0.01494184 -0.00894995
8.30622775 12.98553278 6.54702452
0.00046872 0.00040354 -0.00006370
-0.02024914 0.02255241 0.00520704
23.26444179 29.01534649 -3.21946532
-0.00037980 -0.00050006 0.00043589
-0.00015235 0.01426896 0.00323971
9.28835690 -0.09236419 -14.61469958
0.00023289 0.00038370 0.00001690
-0.01112537 0.00794452 -0.00957932
-9.01778770 -1.05043755 12.67543684
-0.00027254 -0.00007849 -0.00019853
0.00885571 0.01433160 0.00241686
-2.11448344 -25.93299986 10.47161703
-0.00005896 0.00006584 0.00011451
0.00897287 -0.00524494 0.02097424
-15.19000386 -4.16334082 -7.21457806
-0.00015051 0.00031784 -0.00000319
0.00761391 -0.01710595 -0.00388639
-19.39177446 -10.98867059 -18.28231643
-0.00006801 0.00008687 0.00009172
-0.00969884 -0.00201278 0.00658975
21.31394213 5.27568024 4.65524620
-0.00046820 0.00053618 0.00000579
-0.00287017 -0.03614835 0.01478601
19.14785702 -11.63857995 -13.38170175
0.00072963 0.00015553 0.00034522
0.01855856 -0.01402171 -0.01949212
-3.03348676 -0.26582373 -6.62821925
-0.00047062 -0.00021538 0.00022577
-0.00231300 0.01822099 -0.00347017
-3.88127301 -3.16870254 -17.54141004
0.00031718 -0.00002239 -0.00009500
0.01472899 -0.03484804 -0.00041100
14.19574238 16.43179592 -21.24570001
0.00002896 -0.00007820 -0.00012954
0.03931807 -0.00778597 -0.01314553
-14.67885864 17.45976719 -13.27094143
0.00025922 0.00035470 -0.00031979
-0.00747840 -0.03041521 -0.00446494
1.54653543 15.08055644 8.09310737
-0.00028055 0.00007734 -0.00052521
0.02503814 -0.01295036 -0.02756404
-4.48734402 -9.25365497 3.95905947
0.00023365 0.00011807 -0.00005291
0.01016057 -0.00854958 -0.03253085
2.11730926 -5.22609290 2.35212550
0.00004265 0.00006580 -0.00016818
0.01815558 0.06741816 -0.03043132
9.68233598 7.11146833 4.49255602
-0.00009409 0.00021354 -0.00022173
0.03235732 -0.02518265 0.02689227
-9.23737748 -10.15522937 -2.77675922
-0.00021823 -0.00030838 0.00032923
0.02413695 -0.01078117 0.02432345
3.51027880 -15.60763494 -13.06002635
-0.00019276 0.00005071 -0.00037196
0.02281778 0.04191498 -0.02766487
3.76709003 -5.70460741 -3.35794521
-0.00004247 -0.00006907 0.00052206
0.02374676 -0.00432241 -0.00115911
18.41630700 1.93851099 24.55328983
-0.00002940 0.00012273 -0.00008973
0.00220994 -0.02944609 -0.01325927
-8.81948425 2.64959695 1.51964839
-0.00008512 -0.00024596 -0.00002137
-0.01223190 0.00156627 0.00340769
-6.16047053 12.74860421 -9.84991240
0.00053390 -0.00034387 0.00010047
-0.02071449 -0.01412435 0.00543763
1.62885006 13.23275092 -7.62347854
-0.00004248 0.00013699 -0.00014422
-0.00204827 0.00807303 0.04013355
-10.94437633 10.10017943 -12.52581978
-0.00035746 -0.00020717 -0.00004266
-0.00400017 -0.03518158 0.00323151
7.90230555 4.09366479 14.57563890
-0.00025631 -0.00046611 0.00021293
0.01490657 -0.01077700 0.01313876
-15.53305211 9.69066049 -8.06846950
0.00033155 0.00033662 0.00049195
0.02254530 0.00103995 0.01297609
8.76465946 7.78625971 -3.05459819
-0.00032718 0.00002209 -0.00006530
0.03216572 0.01108116 0.06849387
14.17401646 -20.68891688 -26.76933458
0.00001127 -0.00012628 0.00016024
-0.01986838 -0.01933597 0.03524966
5.03206218 6.96486934 1.58895561
0.00024421 -0.00038460 0.00032552
-0.02111084 0.03567925 0.02970935
18.32956471 -5.85141166 -7.56981627
-0.00036387 0.00005792 0.00003872
0.02674182 -0.00553641 0.04159205
-1.89464037 -2.07096261 -2.07114348
-0.00019586 -0.00008144 -0.00004451
-0.01167302 0.03603249 -0.00322920
2.76966147 -2.05278324 -12.02920141
-0.00007188 -0.00009884 0.00000261
0.01786813 -0.01936658 -0.00038997
19.63399797 9.31883546 -6.20395284
0.00023772 -0.00031289 0.00022808
-0.00045663 -0.00994624 -0.00051957
-7.53920103 5.78927663 8.91663660
-0.00027718 -0.00022740 -0.00034476
-0.02012818 0.08696674 -0.00508263
-1.83269597 -16.07092181 11.41859396
0.00020315 -0.00010091 -0.00012310
-0.00297459 0.02139087 -0.00365838
7.56535389 -0.46325786 -4.55585404
0.00004117 0.00007555 -0.00062499
0.00709847 0.01452237 0.02960040
-0.98032957 -12.10667827 0.63776396
-0.00012799 -0.00022176 0.00011090
0.00666319 0.00424867 0.00192294
-19.95573402 -0.74022004 5.27172803
-0.00007795 0.00054652 0.00001446
-0.01984685 0.00450637 0.02041131
-6.36026777 7.85017977 -25.05173627
-0.00042907 0.00022527 -0.00028434
0.04923703 0.00587786 -0.00158673
2.61348868 1.92397409 -1.80797902
-0.00046563 0.00018075 -0.00015629
-0.00334520 -0.02012072 0.00515993
14.78990856 8.26187814 4.12464067
-0.00035043 -0.00016716 0.00001666
-0.00414299 -0.01076985 0.00503395
-8.35315849 -6.75952349 10.32494251
0.00000274 -0.00028137 -0.00069128
0.03045808 -0.03006173 0.02760847
-10.05989289 -6.22605134 8.24593573
-0.00035174 0.00060448 0.00001706
0.00024061 0.01565302 0.00999366
-13.13031449 6.13438400 7.69044215
0.00023359 -0.00021046 -0.00011541
-0.00456196 -0.00294034 -0.00248751
-13.90989404 3.45205798 8.19959588
0.00004384 -0.00045516 0.00041169
0.00311643 -0.02257029 0.00133194
-15.01468620 1.70991392 4.56420347
0.00065654 -0.00043825 -0.00019636
0.02168951 0.00236961 0.01994490
-17.32832464 0.77013505 3.45119335
-0.00098058 -0.00035509 0.00070862
-0.01977405 -0.00874502 0.00101203
3.01617396 -21.34684097 12.52700420
-0.00147193 0.00054633 0.00074006
-0.00508439 0.02745555 0.02281391
3.05289886 -19.32524169 15.01734775
-0.00019018 -0.00064598 -0.00106886
-0.00179562 -0.01600943 -0.02936059
9.20865677 19.03993943 0.77976279
-0.00004324 0.00066777 -0.00170676
0.00782944 -0.00023473 -0.00549408
8.27233620 21.70516236 1.38884352
0.00063495 0.00074439 0.00063175
0.01249571 0.00326437 -0.00364635
-10.53922896 12.50095155 16.90153052
-0.00000888 -0.00148137 0.00035505
0.00976344 -0.00375816 0.01257866
-11.67801540 14.47993524 15.18135618
0.00034533 0.00137272 0.00072144
-0.00335734 0.00552408 -0.00461328
-5.91597957 -0.10772201 -14.27300395
-0.00043272 -0.00021723 0.00004611
0.00439461 0.00533265 -0.01030918
-6.42773566 0.04363711 -11.45837035
-0.00069305 -0.00067147 -0.00006141
-0.00035075 0.03559951 -0.02516524
-8.33669412 8.21597243 -6.35953821
0.00056344 0.00025060 -0.00043259
0.00592721 0.00698969 -0.00103263
-9.96314238 6.20941671 -5.34253575
0.00081081 0.00072520 -0.00020966
0.00162089 0.00681242 -0.00940874
-7.53954195 -1.79649506 18.10695618
-0.00024937 0.00061451 -0.00012362
-0.00005253 -0.04148484 -0.00291357
-7.39826620 -4.24855275 19.87375369
0.00062804 0.00015909 -0.00024786
-0.00370073 0.00999606 -0.03135471
-24.73725757 -6.46274914 -23.24571503
-0.00020847 -0.00010817 -0.00028805
-0.01709799 0.00589667 -0.00083972
-21.95911222 -6.30098768 -23.35692123
0.00050537 -0.00153564 -0.00075897
-0.00747988 -0.01765293 -0.00236607
8.69259982 13.06579994 4.76712976
-0.00066596 0.00039760 0.00101866
0.00539780 -0.00517896 -0.00257288
9.14146418 11.70145082 7.52967971
0.00089896 -0.00059760 0.00076549
0.01575212 -0.01135976 -0.00313114
23.60136786 27.37294764 -2.46659876
0.00153272 0.00025684 -0.00034989
-0.00188489 -0.00018930 0.00008580
23.15505223 30.25591005 -1.83727133
-0.00039957 -0.00059705 0.00014461
-0.00349748 -0.01416117 -0.00406234
10.93243733 -0.82978515 -14.52041624
0.00091455 -0.00087984 0.00022959
0.00809898 0.00219372 0.00219998
8.18252889 -1.55380890 -14.53096537
0.00037692 0.00043788 -0.00072149
0.00124637 -0.00578716 0.00499518
-9.79749778 -0.82105982 14.33862137
0.00041704 -0.00042260 -0.00040348
0.00312873 -0.01801826 -0.02088134
-9.42292368 -2.51197094 11.62269157
0.00023844 -0.00111960 -0.00075442
-0.00983818 -0.00248550 0.02092392
-2.96276644 -26.39871387 12.13844097
-0.00091891 -0.00023840 0.00014285
0.00539435 0.00361398 -0.02582383
-3.24438210 -25.80497754 9.06968243
-0.00030094 0.00012132 0.00046353
-0.00957878 0.00037152 -0.00250466
-14.65614027 -2.62418378 -6.28484299
-0.00038168 -0.00001629 -0.00030109
-0.00036582 -0.00114745 0.00091064
-16.18533324 -3.50664729 -8.55763487
0.00032955 -0.00058210 -0.00087403
-0.00915636 0.00165264 -0.00967117
-18.98828352 -9.27797435 -18.86696714
-0.00041377 -0.00145077 -0.00047973
0.00894221 -0.01738906 -0.00043166
-18.25525253 -12.35730827 -18.81260376
0.00030410 0.00016688 -0.00049296
0.00348333 0.01677496 -0.00770451
22.59863516 5.79687863 3.53235073
0.00033330 -0.00066905 0.00033232
0.00666484 0.01933111 -0.00920908
20.30948480 6.55106822 5.40211241
-0.00031878 -0.00049932 0.00055858
-0.00120665 0.01942934 -0.00260631
18.22657756 -10.91247431 -12.04230644
0.00102485 -0.00007048 -0.00104433
-0.01874720 0.00701827 0.03888761
18.35367221 -10.72232101 -14.71337541
0.00054032 0.00028564 0.00048249
-0.00245298 0.00572475 -0.02371056
-2.13643763 1.21978276 -7.25067668
0.00155323 -0.00068204 0.00057620
0.00031057 -0.01057067 0.00359524
-4.69251917 0.36165876 -6.12631477
-0.00039836 0.00018550 -0.00005444
0.00576654 -0.00386643 -0.00286863
-2.81302220 -4.50358347 -18.32068538
-0.00033326 0.00009480 -0.00082213
-0.01949937 0.01719589 0.01319442
-3.63749938 -1.72872349 -18.59535104
0.00004006 0.00017791 -0.00001035
0.00015170 0.02183655 -0.00906612
13.80527615 17.46385279 -19.83688492
0.00024552 0.00111075 -0.00036974
-0.01172899 0.00730455 0.00842747
12.73489698 15.72172794 -22.04231998
-0.00025866 0.00025448 0.00009426
-0.01955591 -0.00037713 0.00747537
-13.76119147 17.18619309 -11.69837999
-0.00006874 -0.00020395 0.00085489
-0.00271330 0.00137542 -0.00777494
-14.67986351 15.70732590 -14.14781715
-0.00007878 0.00152352 -0.00024051
0.00353258 0.02812765 0.01249512
1.73097280 15.75513141 6.37458091
0.00133244 -0.00013310 -0.00067927
-0.00255460 -0.00580493 0.01595616
0.11845005 15.85691949 8.82418446
-0.00099755 -0.00004765 0.00080238
-0.02318812 0.01434769 0.01124007
-5.50542742 -8.21565922 2.71222998
0.00181299 0.00072920 -0.00091696
0.01898521 -0.01984277 0.01913710
-3.13300133 -10.27278871 2.99955038
-0.00004472 -0.00031924 0.00046138
-0.03129561 0.02562182 0.00717133
1.37021302 -3.60861816 3.10788863
-0.00118483 0.00010991 0.00087689
0.01849719 -0.03077758 -0.00809254
3.19438232 -4.36018908 0.91847432
0.00016257 0.00000165 0.00008276
-0.02961863 -0.03580211 0.04382620
8.37614947 7.80420292 3.58027367
0.00003909 -0.00018862 0.00056270
-0.04132567 0.01753306 -0.02847556
11.21297734 7.95044170 3.99541292
-0.00042732 -0.00036289 -0.00081387
0.01606768 0.00617855 -0.00123323
-7.76301534 -11.31052693 -2.36929909
0.00119224 -0.00005235 0.00009300
-0.02646121 0.00736223 -0.00796126
-10.28508517 -9.94354611 -1.28158601
-0.00027575 -0.00009578 -0.00048168
0.00347601 0.00125831 -0.00225088
5.26799180 -15.55840353 -12.50875141
-0.00017241 -0.00104978 0.00024141
-0.00033853 -0.00483771 -0.01152653
2.80976996 -16.71663510 -11.92267707
0.00017441 0.00024699 0.00124233
-0.02966723 -0.03658972 0.03700562
4.92207761 -4.98951263 -4.65637145
0.00054959 0.00038599 0.00046985
-0.01230583 -0.00002192 0.00084951
5.03394418 -6.74455162 -2.48239009
0.00023233 0.00100575 -0.00086248
-0.01047915 0.00220774 0.00184616
16.77042033 2.59598345 24.09371504
-0.00040712 0.00003850 0.00022425
-0.00151338 0.00433927 0.00901855
19.39892517 3.06160490 25.59983224
0.00015087 -0.00054255 -0.00017689
-0.00200691 0.01312724 -0.00067056
-9.62144209 1.00343033 1.46823093
-0.00026574 -0.00017918 0.00034614
-0.00202735 -0.00305737 -0.00084125
-9.94147653 3.61140173 2.62665146
-0.00054623 -0.00124459 0.00050538
0.00785083 0.00033269 -0.00797784
-5.02375275 13.61017370 -8.68380169
0.00030326 -0.00034659 0.00062717
-0.00607102 0.00760587 -0.00166580
-7.69460150 12.38571632 -8.82812313
0.00016998 -0.00025210 0.00022013
0.01246726 0.00438377 -0.01377844
1.03899795 11.82141626 -6.56242734
0.00126952 0.00025333 0.00087470
-0.00025430 0.00941824 -0.01537067
1.86325247 14.54912199 -6.26368528
-0.00025882 -0.00045089 0.00092032
0.00580474 -0.01851184 -0.02210992
-10.59074218 8.28073246 -12.91303912
-0.00062642 0.00083501 -0.00022004
-0.00081700 0.02854828 0.00049993
-11.96608591 9.90714211 -11.00853944
0.00019749 0.00015928 0.00083523
0.00162406 0.00747780 -0.00064236
7.67789312 5.21404905 13.17836010
0.00072513 0.00071197 0.00015160
-0.01094255 0.00565175 -0.01035538
9.71678938 3.90595308 14.50444302
-0.00040500 0.00039285 -0.00040970
-0.00089022 -0.00220938 0.00038847
-14.10827153 10.51922028 -7.14905635
-0.00012602 0.00116658 0.00060903
-0.01556409 0.00139799 -0.01942197
-16.93623338 10.84175497 -7.96307810
-0.00033753 0.00002954 0.00010675
-0.00324564 0.00619172 0.00088393
9.16352245 9.41995089 -2.16995611
0.00052486 -0.00046026 0.00033759
-0.01048286 -0.02958443 -0.02648809
7.88639537 8.07776615 -4.53493892
-0.00064285 -0.00068900 -0.00069116
-0.02707253 0.01246126 -0.03916339
14.46484700 -19.07111095 -27.44351289
-0.00002352 0.00002078 0.00030742
0.00589345 0.03141365 -0.01420729
13.36032375 -20.35449666 -25.10768308
0.00008083 0.00020871 -0.00022182
0.01359639 -0.00182098 -0.01805787
5.11022246 5.30111169 2.18959983
-0.00103934 -0.00032617 0.00011913
0.00669506 -0.03518468 0.00781342
5.76423535 6.99842524 -0.01359668
-0.00085951 0.00047064 -0.00016597
0.01709366 -0.00108696 -0.03676498
19.84344458 -6.62614263 -6.74391051
0.00094842 0.00149085 -0.00002895
-0.01872380 0.01196917 -0.01537082
17.42486244 -5.07610640 -6.11200726
-0.00003759 -0.00031771 -0.00071714
-0.00354285 -0.00089738 -0.01343249
-2.66228171 -0.74404068 -0.96341440
0.00026105 -0.00038020 -0.00012894
0.01256145 -0.02042355 -0.01524087
-2.10639025 -1.30199207 -3.84474910
0.00011626 -0.00100668 0.00010070
0.00357781 -0.01529693 0.02804326
4.03124539 -3.47496769 -12.18557380
0.00052250 -0.00040410 -0.00054676
-0.02196067 0.01811322 0.00056666
1.05111630 -2.75184099 -11.77420054
0.00021571 0.00004180 -0.00019729
0.00701400 -0.00082049 0.00132224
19.66194936 8.36401236 -7.79373534
0.00042690 0.00087780 0.00040115
0.00084694 0.00212901 0.00371458
20.84475842 8.39577647 -5.15193255
-0.00056883 0.00001866 -0.00068468
0.00457126 -0.00352830 -0.00106689
-7.06275865 4.13203035 9.07387541
0.00013589 -0.00064090 -0.00086628
0.01576518 -0.06690712 0.01131091
-7.46012084 6.66986395 10.53108004
0.00102107 -0.00005989 -0.00051095
0.00222943 -0.01200366 -0.00846385
-2.27106216 -17.80727906 11.60851383
0.00057674 -0.00030239 0.00025630
-0.00363178 -0.00812780 -0.00664173
-2.81741001 -15.32187341 10.03460677
0.00005471 -0.00061194 -0.00040386
0.00386954 -0.00915187 0.01167506
8.45028049 -0.70201266 -2.86651468
0.00041036 -0.00006556 0.00056627
-0.00967918 0.01465062 -0.02504606
7.54971729 1.23088559 -5.32241452
-0.00035631 -0.00023459 0.00019251
0.00963875 -0.00668833 0.01041817
0.39641352 -11.83873638 1.87726933
-0.00028350 -0.00003691 -0.00019588
-0.00484779 0.00092003 -0.00582642
-0.89149229 -10.54525007 -0.41030350
0.00006090 -0.00020217 0.00031152
-0.00518308 -0.00467150 0.00980092
-19.66567766 -1.64741191 6.93603086
0.00045736 0.00012010 0.00045280
0.00097022 0.01657916 -0.01339026
-21.24700309 0.51565390 5.79600650
0.00009524 -0.00057540 0.00060823
0.01656027 -0.01349820 -0.01020155
-4.87111812 8.21799651 -26.31009325
0.00011693 -0.00040738 0.00017682
-0.03110257 -0.00567085 0.02718322
-5.52751168 7.35753049 -23.45988709
0.00097931 0.00087472 -0.00191003
-0.00752557 0.00571501 -0.01580303
4.25964907 1.68432927 -2.59539510
-0.00080515 0.00017099 0.00068765
-0.00993928 -0.00785436 0.00648221
1.90899207 0.22393450 -1.37260198
0.00088998 -0.00059673 0.00011471
0.01028907 0.02651560 -0.01428749
14.84867899 7.33872702 5.76936107
0.00010358 0.00005048 0.00057831
0.00640127 0.01918438 -0.01208030
15.73821888 9.84927024 4.13645338
0.00015381 0.00100083 -0.00035934
-0.00449783 -0.00789932 0.00976991
1.49971855 -11.77483834 -13.85860093
0.00012490 0.00001444 -0.00016018
0.00295427 0.00566879 0.00241200
-13.56296521 14.59936446 22.71609615
-0.00000392 0.00014202 0.00015847
-0.00296633 -0.00265007 0.00042856
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02514644
0.35583222
474.12859584
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1287831260
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3072949493 (a.u.)
total exchange computation time: 2.5689120293 s
-153.9194224945
-931.38135342
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1287831260
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3072841742 (a.u.)
total exchange computation time: 2.5694749355 s
-153.9207359870
Anderson extrapolation: theta=1.3671411713 (1.3671411713)
-931.38160144
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1287831260
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3071938646 (a.u.)
total exchange computation time: 2.5682249069 s
-153.9232625502
Anderson extrapolation: theta=0.0571406507 (0.0571406507)
-931.38175345
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1287831260
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3071253466 (a.u.)
total exchange computation time: 2.5689079762 s
-153.9240453017
Anderson extrapolation: theta=2.0145472729 (2.0000000000)
-931.38175995
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1287831260
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3069687645 (a.u.)
total exchange computation time: 2.5695450306 s
-153.9257370291
Anderson extrapolation: theta=0.2331167949 (0.2331167949)
-931.38176725
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1287831260
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3069297518 (a.u.)
total exchange computation time: 2.5696301460 s
-153.9261056597
Anderson extrapolation: theta=1.7606131039 (1.7606131039)
-931.38176868
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1287831260
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3068815714 (a.u.)
total exchange computation time: 2.5734550953 s
-153.9265303794
Anderson extrapolation: theta=0.2886156236 (0.2886156236)
-931.38177028
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1287831260
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3068874669 (a.u.)
total exchange computation time: 2.5708258152 s
-153.9264459511
Anderson extrapolation: theta=1.2957302604 (1.2957302604)
-931.38177063
-22.758567 -171.557615 -244.035778
-137.795923 458.170000 -804.313518
-160.554490 286.612386 -1048.349296
1098.617609
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1287831260
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3069081469 (a.u.)
total exchange computation time: 2.5692529678 s
677.99471373
-1082.07366344
89.75966679
-390.13537782
-174.62020196
77.35491584
551.60419304
0.00000000
-931.38177084
-9.23347976 -5.37513070 9.68306720
0.00007252 0.00017450 0.00025954
-0.02778542 0.01167113 -0.03585489
-13.84086068 5.05189443 8.99961094
0.00013790 -0.00007957 -0.00021193
0.00513146 0.02404072 0.00958590
-15.78796144 1.59099699 2.95718132
0.00001142 -0.00003679 -0.00010774
-0.01170755 0.00271435 -0.01350554
2.45650067 -19.68665489 13.28605661
0.00002641 -0.00007634 0.00032051
-0.00490320 -0.00848537 -0.00553701
9.68731123 20.80932865 0.50142374
0.00043467 -0.00011491 -0.00015453
-0.01943018 0.00470762 0.00238015
-11.12959954 12.75081339 15.18096396
-0.00014550 0.00000836 0.00003974
-0.01166763 0.00650385 -0.01870943
-6.02658529 1.18216593 -12.99282092
0.00003222 -0.00000720 0.00016647
-0.00091816 -0.04564221 0.03358440
-8.97308132 6.60918986 -6.85712150
0.00018881 0.00027470 0.00014614
-0.01260779 -0.01428205 -0.00121917
-7.55392476 -3.71448813 18.04088784
0.00030587 -0.00011677 0.00000099
0.00752329 0.02736380 0.03091703
-23.33605069 -7.56346088 -23.44671608
-0.00024454 0.00001431 -0.00026433
0.01809505 0.01056473 -0.00936227
8.31318050 12.99167281 6.54608907
0.00045891 0.00041330 -0.00005702
-0.01793140 0.01542741 0.02076627
23.25874415 29.00790060 -3.21291447
-0.00038005 -0.00049201 0.00043668
-0.00080888 0.01702921 -0.00018508
9.29180733 -0.08657805 -14.61448302
0.00022960 0.00038688 0.00001206
-0.00168568 0.00440947 -0.00923179
-9.02184158 -1.05155963 12.67246826
-0.00026791 -0.00007259 -0.00019932
0.00912765 0.00859945 -0.00550519
-2.11533321 -25.93203248 10.47341553
-0.00005472 0.00006290 0.00012589
0.00752048 -0.00620689 0.02329551
-15.19223214 -4.15863919 -7.21464089
-0.00014694 0.00030824 -0.00000571
0.00627809 -0.02021583 -0.00591009
-19.39283204 -10.98737533 -18.28091524
-0.00007293 0.00008318 0.00009552
-0.00943523 -0.01233848 0.00818726
21.30690806 5.28358343 4.65539011
-0.00046893 0.00051634 0.00001272
0.00001336 -0.04099384 0.01217355
19.15887308 -11.63630102 -13.37659865
0.00074028 0.00014748 0.00033291
0.02285727 -0.01729405 -0.02838973
-3.04055499 -0.26898411 -6.62484608
-0.00047110 -0.00020559 0.00022362
0.00044480 0.01983182 -0.00487424
-3.87645844 -3.16917286 -17.54283665
0.00032455 -0.00003983 -0.00009530
0.01393593 -0.03296857 -0.00076092
14.19632837 16.43059284 -21.24769377
0.00004893 -0.00008159 -0.00013544
0.03836091 -0.00539656 -0.00981197
-14.67499922 17.46497039 -13.27575545
0.00025609 0.00034009 -0.00032007
-0.00469883 -0.02640123 0.00336626
1.54242379 15.08166664 8.08512284
-0.00026922 0.00007149 -0.00053837
0.01903087 -0.00982355 -0.02360827
-4.48380004 -9.25191688 3.95814036
0.00023873 0.00011384 -0.00006965
0.00959631 -0.00790098 -0.03256879
2.11801898 -5.22484588 2.34948543
0.00005127 0.00010094 -0.00018295
0.01538409 0.06923340 -0.02701450
9.68104938 7.11457434 4.48933386
-0.00007691 0.00019970 -0.00020693
0.03446897 -0.02864616 0.03064881
-9.24055790 -10.15989665 -2.77172696
-0.00020437 -0.00031456 0.00034064
0.02979658 -0.01323575 0.02005013
3.50747535 -15.60671257 -13.06571248
-0.00018164 0.00007037 -0.00038425
0.02045183 0.03452062 -0.02011674
3.76654464 -5.70566017 -3.35011882
-0.00003070 -0.00006985 0.00051985
0.02202060 0.00130383 -0.00742015
18.41587450 1.94023832 24.55189279
-0.00002897 0.00010721 -0.00009705
-0.00053771 -0.03088033 -0.01523539
-8.82080819 2.64591353 1.51934096
-0.00009175 -0.00024525 -0.00001937
-0.01354952 0.00120318 0.00436986
-6.15254196 12.74339164 -9.84838441
0.00052298 -0.00035104 0.00010383
-0.02174419 -0.01373328 0.00762442
1.62820488 13.23483692 -7.62548698
-0.00004351 0.00014127 -0.00012280
-0.00193839 0.00857123 0.04315622
-10.94975361 10.09693618 -12.52644717
-0.00036024 -0.00022354 -0.00004010
-0.00682144 -0.02848761 0.00673020
7.89851839 4.08663150 14.57888357
-0.00024911 -0.00047047 0.00021827
0.01310629 -0.00615371 0.00760738
-15.52799194 9.69571373 -8.06104026
0.00034259 0.00033758 0.00049869
0.02041002 0.00270483 0.01324994
8.75987577 7.78663376 -3.05531352
-0.00031144 0.00002757 -0.00003152
0.02907198 0.01025805 0.06287741
14.17410894 -20.69088572 -26.76679494
0.00000134 -0.00013583 0.00017775
-0.01876792 -0.01777205 0.03284234
5.03564396 6.95923791 1.59395303
0.00023343 -0.00036580 0.00034065
-0.02081430 0.03745655 0.02912139
18.32420980 -5.85056417 -7.56907503
-0.00034880 0.00005436 0.00005915
0.03186920 -0.00833144 0.03783733
-1.89762329 -2.07204525 -2.07182357
-0.00020135 -0.00006396 -0.00004596
-0.00965841 0.03194444 -0.00240021
2.76865219 -2.05434062 -12.02916379
-0.00006160 -0.00010913 0.00000213
0.02211307 -0.02064333 -0.00147593
19.63756204 9.31410369 -6.20053370
0.00023617 -0.00031633 0.00022772
-0.00559588 -0.00342192 -0.00086167
-7.54343639 5.78620112 8.91144562
-0.00028710 -0.00018420 -0.00034732
-0.01843953 0.08099767 -0.00486755
-1.82966015 -16.07235297 11.41673332
0.00020147 -0.00009023 -0.00012505
-0.00357858 0.02013589 -0.00391544
7.56599879 -0.46206866 -4.56511477
0.00004554 0.00008187 -0.00060781
0.00992114 0.01006398 0.03723467
-0.98222367 -12.10998829 0.63943487
-0.00012482 -0.00021961 0.00011162
0.00566172 0.00412188 0.00087580
-19.95697977 -0.73200483 5.27202362
-0.00008715 0.00054754 0.00002538
-0.01592994 -0.00056381 0.02206378
-6.36651393 7.85358155 -25.05600749
-0.00040382 0.00022868 -0.00028645
0.04896845 0.00734819 -0.00662002
2.60649133 1.92660766 -1.81030353
-0.00046833 0.00016989 -0.00015307
-0.00715243 -0.02207958 0.00739192
14.78463616 8.25932918 4.12491005
-0.00035134 -0.00017102 0.00001969
0.00058592 -0.00422751 0.00675202
-8.35218400 -6.76466519 10.31541929
0.00012687 -0.00040334 -0.00057882
0.03030056 -0.02964232 0.02744089
-10.06516165 -6.21650449 8.24649780
-0.00035019 0.00066953 0.00005926
0.00052005 0.01618808 0.01066437
-13.12695047 6.13113697 7.68863478
0.00021542 -0.00022241 -0.00012710
-0.00433090 -0.00290854 -0.00323510
-13.90914089 3.44453895 8.20581202
0.00005713 -0.00054517 0.00041741
0.00338896 -0.02149073 0.00146691
-15.00417340 1.70341277 4.56186925
0.00074282 -0.00042877 -0.00011822
0.02054146 0.00226911 0.01830649
-17.34363926 0.76454066 3.46185374
-0.00104505 -0.00038252 0.00070871
-0.01178289 -0.00468134 -0.00097125
2.99393921 -21.33780477 12.53880412
-0.00148760 0.00064679 0.00082751
-0.00258766 0.02172132 0.01999611
3.04999108 -19.33542194 15.00041511
-0.00019096 -0.00070707 -0.00116889
0.00141383 -0.01389424 -0.01960505
9.20824802 19.04994872 0.75399301
-0.00001478 0.00065540 -0.00172625
0.00610412 -0.00581990 -0.00404642
8.28224330 21.71642828 1.39820802
0.00068959 0.00075322 0.00061343
0.01425278 0.00105638 -0.00532052
-10.53906302 12.47861590 16.90724173
0.00002853 -0.00149378 0.00040014
0.00855083 -0.00231729 0.00949180
-11.67293827 14.50069537 15.19203634
0.00033776 0.00137711 0.00070418
-0.00035060 -0.00337499 -0.00383356
-5.92233564 -0.11081699 -14.27262824
-0.00041464 -0.00019259 0.00000556
0.00445467 0.00672582 -0.00953771
-6.43814218 0.03465600 -11.46006270
-0.00069372 -0.00052332 -0.00016451
0.00002445 0.03691857 -0.02530082
-8.32806084 8.21994556 -6.36605876
0.00058779 0.00027940 -0.00043706
0.00599243 0.00710841 -0.00115139
-9.95093049 6.22050345 -5.34596899
0.00081157 0.00075046 -0.00023941
-0.00125343 0.00555223 -0.00515486
-7.54328413 -1.78854866 18.10501259
-0.00024914 0.00043800 -0.00013561
0.00016513 -0.04491937 -0.00295315
-7.38895902 -4.24586004 19.86907492
0.00061280 0.00019861 -0.00037223
-0.00375876 0.00934725 -0.02952265
-24.74090858 -6.46419102 -23.25006149
-0.00027707 -0.00008188 -0.00029134
-0.01648276 0.00697544 -0.00077335
-21.95176093 -6.32456316 -23.36837824
0.00047772 -0.00160104 -0.00076770
-0.00605444 -0.01436504 -0.00190765
8.68277588 13.07160525 4.78233089
-0.00063890 0.00037612 0.00098804
0.00784636 -0.00533695 -0.01241568
9.15543120 11.69213879 7.54106610
0.00095409 -0.00062972 0.00074132
0.01123581 -0.00436655 -0.00869716
23.62430097 27.37679441 -2.47184453
0.00152597 0.00024807 -0.00034537
-0.00142368 -0.00410052 0.00212705
23.14895144 30.24652037 -1.83522670
-0.00041396 -0.00065251 0.00013108
-0.00354441 -0.01298677 -0.00256040
10.94640371 -0.84291556 -14.51690501
0.00093048 -0.00086226 0.00023760
-0.00030168 0.00641035 0.00172069
8.18822094 -1.54741810 -14.54163464
0.00037978 0.00041284 -0.00070080
0.00015014 -0.00646770 0.00513299
-9.79114630 -0.82795099 14.33192928
0.00042609 -0.00049538 -0.00048126
0.00129984 -0.01760715 -0.01719014
-9.41964850 -2.52884111 11.61201638
0.00020131 -0.00111909 -0.00066064
-0.00833727 0.00273382 0.02498578
-2.97638475 -26.40217907 12.13979234
-0.00089363 -0.00022243 0.00003492
0.00697778 0.00420109 -0.02700733
-3.24918969 -25.80314631 9.07655870
-0.00034027 0.00012316 0.00045109
-0.00967252 0.00052950 -0.00358634
-14.66187669 -2.62446332 -6.28933137
-0.00038166 -0.00001518 -0.00029546
0.00037695 0.00169266 0.00184091
-16.18067056 -3.51532810 -8.57104172
0.00029321 -0.00057527 -0.00091144
-0.00863285 0.00168959 -0.00864017
-18.99421612 -9.30026878 -18.87417635
-0.00037357 -0.00150277 -0.00048699
0.01073998 -0.00806490 -0.00311940
-18.25058428 -12.35429111 -18.82023431
0.00031437 0.00023718 -0.00052227
0.00154601 0.01763785 -0.00664351
22.60383893 5.78743529 3.53705326
0.00035888 -0.00058862 0.00029668
0.00585605 0.02003688 -0.00823214
20.30466606 6.54417381 5.41041129
-0.00032782 -0.00041163 0.00055109
-0.00321393 0.02349355 -0.00105966
18.24137589 -10.91331649 -12.05677982
0.00093776 -0.00003380 -0.00086696
-0.02388576 0.01093678 0.04793809
18.36170186 -10.71786097 -14.70686464
0.00053186 0.00030761 0.00038511
-0.00168898 0.00502723 -0.02395706
-2.11312963 1.20922823 -7.24192351
0.00154832 -0.00073000 0.00059354
-0.00271741 -0.01290683 0.00489237
-4.69831792 0.36432282 -6.12721928
-0.00037372 0.00017133 -0.00006647
0.00629676 -0.00307140 -0.00301824
-2.81861860 -4.50163453 -18.33261306
-0.00041093 0.00016295 -0.00076880
-0.01851919 0.01616362 0.01291119
-3.63689384 -1.72538572 -18.59578404
0.00004021 0.00026564 -0.00004616
-0.00008027 0.02110644 -0.00846739
13.80859950 17.48073787 -19.84217284
0.00019955 0.00113547 -0.00034222
-0.01077360 0.00479412 0.00504641
12.73041780 15.72553362 -22.04067707
-0.00033830 0.00025319 0.00012492
-0.01942563 -0.00025493 0.00753404
-13.76230571 17.18317599 -11.68579491
-0.00008615 -0.00019664 0.00081135
-0.00580898 0.00220220 -0.01353821
-14.68093693 15.73104059 -14.15104189
-0.00006411 0.00162850 -0.00019315
0.00364528 0.02326413 0.01068825
1.75088107 15.75295704 6.36488081
0.00131812 -0.00015605 -0.00061055
-0.00445138 -0.00543187 0.01768128
0.10277625 15.85664439 8.83656456
-0.00107613 0.00000415 0.00083663
-0.01527770 0.01100668 0.00552738
-5.47765085 -8.20532921 2.69906194
0.00188827 0.00064780 -0.00083734
0.01786532 -0.02000402 0.01983914
-3.13463117 -10.27679225 3.00669081
-0.00016978 -0.00021588 0.00048970
-0.02992165 0.02497758 0.00669040
1.35300737 -3.60791266 3.12079406
-0.00110387 -0.00002197 0.00083788
0.02113613 -0.03377719 -0.01100646
3.19591326 -4.36126138 0.92105869
0.00004171 -0.00014219 0.00026095
-0.02954133 -0.03461040 0.04339836
8.37546953 7.80191081 3.58784160
-0.00013889 -0.00011256 0.00044045
-0.04579674 0.01970057 -0.03136856
11.20705998 7.94518775 3.98316713
-0.00035685 -0.00033509 -0.00082030
0.01842327 0.00742917 -0.00191350
-7.74594258 -11.31108656 -2.36814804
0.00107587 -0.00001795 0.00006001
-0.03050129 0.00947868 -0.00818824
-10.28911486 -9.94494421 -1.28888024
-0.00026565 -0.00009012 -0.00048252
0.00146444 0.00150944 0.00184114
5.26539526 -15.57429841 -12.50548351
-0.00017396 -0.00106739 0.00019148
-0.00041982 -0.00378504 -0.01291396
2.81147697 -16.71405144 -11.90290820
0.00005862 0.00011004 0.00138081
-0.02701139 -0.03044967 0.03078124
4.92994434 -4.98372342 -4.64929768
0.00049325 0.00038468 0.00047588
-0.01527065 -0.00062205 0.00210140
5.03710807 -6.72939775 -2.49527067
0.00019884 0.00100433 -0.00084509
-0.00591712 -0.00290269 0.00666411
16.76426717 2.59669386 24.09735519
-0.00040989 0.00005541 0.00026220
0.00015881 0.00394107 0.00955595
19.40112673 3.05386888 25.59715829
0.00014471 -0.00048513 -0.00017655
-0.00101022 0.01497886 0.00083835
-9.62549032 1.00064893 1.47339720
-0.00027241 -0.00019282 0.00034103
-0.00123630 -0.00361991 -0.00166004
-9.94942939 3.59274300 2.63398766
-0.00051264 -0.00124119 0.00047238
0.00858970 0.00133421 -0.00817701
-5.01938989 13.60520796 -8.67444524
0.00027728 -0.00031693 0.00061812
-0.00664699 0.00691306 -0.00276309
-7.69166983 12.38206917 -8.82524347
0.00022374 -0.00023339 0.00016155
0.01385142 0.00477279 -0.01489610
1.05803295 11.82550485 -6.54977780
0.00126770 0.00028996 0.00080962
-0.00063748 0.00850964 -0.01648686
1.85954804 14.54179138 -6.25055801
-0.00023430 -0.00052538 0.00082616
0.00619916 -0.01795121 -0.02398120
-10.60016357 8.29413241 -12.91632439
-0.00062733 0.00093847 -0.00022025
0.00037389 0.02209556 -0.00060450
-11.96307377 9.90976046 -10.99603066
0.00020724 0.00018989 0.00082759
0.00314847 0.00750383 -0.00309992
7.68843472 5.22490177 13.18031675
0.00067928 0.00072858 0.00011789
-0.01150206 0.00248069 -0.00614724
9.71068715 3.91177813 14.49830950
-0.00040404 0.00038123 -0.00040589
0.00135933 -0.00347728 0.00147258
-14.11063878 10.53676189 -7.14051598
-0.00018915 0.00117197 0.00052961
-0.01533705 0.00123960 -0.01945879
-16.94139579 10.84238787 -7.96144982
-0.00034675 0.00005151 0.00010990
-0.00126927 0.00456242 0.00066187
9.17107416 9.41214040 -2.16570388
0.00048069 -0.00057880 0.00022815
-0.01113774 -0.02844318 -0.02708737
7.87592301 8.06781296 -4.54650646
-0.00074587 -0.00063863 -0.00083871
-0.02335758 0.01219500 -0.03306335
14.46467475 -19.06983670 -27.43933688
0.00000048 0.00014620 0.00024950
0.00585763 0.02998222 -0.01414770
13.36195289 -20.35142187 -25.11156368
0.00013405 0.00020100 -0.00029089
0.01245516 -0.00195117 -0.01575479
5.09483751 5.29514095 2.19162618
-0.00101123 -0.00047145 0.00014974
0.00706713 -0.03593151 0.00717200
5.75186644 7.00545148 -0.01721281
-0.00079073 0.00046456 -0.00031376
0.01657446 -0.00188670 -0.03557959
19.85709714 -6.60341314 -6.74481583
0.00086714 0.00154059 -0.00009376
-0.02106471 0.01238044 -0.01635259
17.42419006 -5.08089952 -6.12317596
-0.00005766 -0.00031634 -0.00076268
-0.00628259 0.00156811 -0.00886010
-2.65798104 -0.75036948 -0.96581554
0.00030963 -0.00045887 -0.00018865
0.01121773 -0.01808720 -0.01398909
-2.10453674 -1.31756102 -3.84237929
0.00012916 -0.00106571 0.00021132
0.00273949 -0.01359894 0.02610762
4.03840993 -3.48047420 -12.19375788
0.00042792 -0.00032542 -0.00054353
-0.02433556 0.02040085 0.00101494
1.05456681 -2.75123914 -11.77711931
0.00024073 0.00003619 -0.00019135
0.00523696 -0.00192318 0.00158215
19.66837885 8.37724462 -7.78760433
0.00042980 0.00088131 0.00040707
0.00057127 -0.00041309 -0.00081222
20.83636611 8.39594827 -5.16223540
-0.00053917 -0.00000347 -0.00067923
0.00994404 -0.00730425 0.00373386
-7.06023721 4.12036668 9.06122775
0.00019727 -0.00090178 -0.00082095
0.01428322 -0.06079545 0.01088275
-7.44473648 6.66859771 10.52315639
0.00102980 -0.00010914 -0.00054503
0.00204549 -0.01210101 -0.00821639
-2.26252232 -17.81206391 11.61215483
0.00056252 -0.00033287 0.00022895
-0.00333096 -0.00679367 -0.00674851
-2.81647074 -15.33133299 10.02890664
0.00007119 -0.00064969 -0.00035520
0.00419361 -0.00932784 0.01214653
8.45613929 -0.70254707 -2.85878814
0.00036532 -0.00000442 0.00045368
-0.01237032 0.01527847 -0.03006530
7.54466799 1.22716175 -5.31920765
-0.00031683 -0.00025403 0.00023141
0.00968752 -0.00282540 0.00862686
0.39201251 -11.83926180 1.87415263
-0.00030078 -0.00003380 -0.00021652
-0.00361032 0.00059909 -0.00427686
-0.89073763 -10.54842575 -0.40533035
0.00003889 -0.00022034 0.00035007
-0.00558858 -0.00422177 0.00907075
-19.65878756 -1.64510242 6.94241252
0.00046049 0.00019029 0.00039311
0.00056370 0.01778337 -0.01582861
-21.24506696 0.50660927 5.80481728
0.00015574 -0.00062283 0.00056846
0.01305285 -0.00971805 -0.00926215
-4.87031725 8.21171207 -26.30660793
-0.00001233 -0.00042903 0.00028396
-0.03217335 -0.00493020 0.02526207
-5.51305263 7.37082638 -23.48902183
0.00095153 0.00089342 -0.00195982
-0.00607195 0.00344148 -0.00856743
4.24726725 1.68665348 -2.58488178
-0.00083551 0.00013946 0.00070921
-0.00492411 -0.00758227 0.00407434
1.92265710 0.21579602 -1.37131919
0.00093033 -0.00048509 0.00005664
0.00946159 0.02813343 -0.01413862
14.85042887 7.34007210 5.77766560
0.00012907 0.00013050 0.00052538
0.00607638 0.01998560 -0.01383035
15.74038817 9.86404061 4.13136265
0.00012660 0.00095389 -0.00031949
-0.00881975 -0.01507507 0.00973916
1.50159999 -11.77460649 -13.86099720
0.00012599 0.00001649 -0.00015934
0.00313786 0.00575905 0.00228128
-13.56302924 14.60149016 22.71847396
-0.00000462 0.00014142 0.00015853
-0.00303129 -0.00250575 0.00007991
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02516354
0.35660730
475.16134390
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1289129259
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3101486421 (a.u.)
total exchange computation time: 2.6078600883 s
-153.9316480718
-931.38133858
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1289129259
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3101181745 (a.u.)
total exchange computation time: 2.6070611477 s
-153.9329491648
Anderson extrapolation: theta=1.3537002015 (1.3537002015)
-931.38157486
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1289129259
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3099754577 (a.u.)
total exchange computation time: 2.6075999737 s
-153.9355910350
Anderson extrapolation: theta=0.0518395710 (0.0518395710)
-931.38171676
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1289129259
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3098845479 (a.u.)
total exchange computation time: 2.6075360775 s
-153.9364783906
Anderson extrapolation: theta=1.8863560752 (1.8863560752)
-931.38172197
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1289129259
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3096835084 (a.u.)
total exchange computation time: 2.6071279049 s
-153.9383444349
Anderson extrapolation: theta=0.2108100068 (0.2108100068)
-931.38172723
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1289129259
ExchangeOperator: bisection time: 1.156 s
total exchange = -52.3096304711 (a.u.)
total exchange computation time: 2.6059360504 s
-153.9387708578
Anderson extrapolation: theta=1.8706019811 (1.8706019811)
-931.38172817
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1289129259
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3095492377 (a.u.)
total exchange computation time: 2.6087448597 s
-153.9393692136
Anderson extrapolation: theta=0.2845718117 (0.2845718117)
-931.38172933
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1289129259
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3095449403 (a.u.)
total exchange computation time: 2.6065299511 s
-153.9393456273
Anderson extrapolation: theta=1.3437273887 (1.3437273887)
-931.38172960
-22.726947 -171.583555 -243.978556
-137.766226 458.140278 -804.331853
-160.493173 286.556723 -1048.310409
1098.557021
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1289129259
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3095531984 (a.u.)
total exchange computation time: 2.6069607735 s
678.03780750
-1082.15800619
89.75399149
-390.07832426
-174.62764515
77.40330128
551.60419304
0.00000000
-931.38172981
-9.23249919 -5.37246813 9.68682204
0.00005852 0.00017992 0.00024129
-0.02662612 0.00940876 -0.03513619
-13.83877238 5.05079368 8.99646899
0.00014034 -0.00006768 -0.00020687
0.00434363 0.02218759 0.01006674
-15.78783530 1.59045557 2.95551311
0.00000389 -0.00003642 -0.00011353
-0.01757033 -0.00127031 -0.00899004
2.45687797 -19.68783274 13.29084295
0.00002231 -0.00007957 0.00031569
-0.01106537 -0.00405568 -0.01320771
9.69375632 20.80762315 0.49911496
0.00042464 -0.00011048 -0.00015328
-0.01957841 0.01252737 0.00249116
-11.13182702 12.75096395 15.18148793
-0.00015178 0.00001346 0.00003092
-0.01275397 0.01331885 -0.01558722
-6.02610560 1.18188189 -12.99019438
0.00003167 -0.00003120 0.00018341
-0.00118902 -0.04768039 0.03230191
-8.97029779 6.61325528 -6.85493414
0.00018308 0.00026772 0.00014435
-0.00969516 -0.01287522 -0.00574036
-7.54930768 -3.71613420 18.04102200
0.00030960 -0.00010188 0.00001622
0.00697613 0.03057022 0.02829061
-23.33964894 -7.56320543 -23.45071718
-0.00023592 0.00001865 -0.00026923
0.01539954 0.00630653 -0.00968939
8.31999491 12.99793185 6.54531382
0.00045024 0.00041951 -0.00004241
-0.01576756 0.00871007 0.03606062
23.25304027 29.00058609 -3.20636506
-0.00038065 -0.00048269 0.00043569
-0.00150882 0.01922472 -0.00366589
9.29524476 -0.08075789 -14.61433767
0.00023096 0.00038825 0.00000740
0.00700366 0.00092535 -0.00890250
-9.02582505 -1.05261536 12.66945721
-0.00026306 -0.00006956 -0.00020420
0.00974756 0.00320391 -0.01348371
-2.11612496 -25.93111298 10.47539376
-0.00005124 0.00005949 0.00013825
0.00601998 -0.00702630 0.02477675
-15.19441199 -4.15409351 -7.21474930
-0.00014412 0.00029710 -0.00000937
0.00466633 -0.02310569 -0.00833559
-19.39396242 -10.98617526 -18.27945090
-0.00007777 0.00007409 0.00010023
-0.00938962 -0.02300453 0.01013927
21.29987409 5.29117036 4.65562794
-0.00046815 0.00049422 0.00001825
0.00304936 -0.04501346 0.00931613
19.17006547 -11.63415550 -13.37171458
0.00075290 0.00013797 0.00031622
0.02621879 -0.01970515 -0.03651127
-3.04761980 -0.27199148 -6.62151052
-0.00047013 -0.00019507 0.00022076
0.00333561 0.02107708 -0.00624739
-3.87153636 -3.16989753 -17.54426914
0.00033143 -0.00005599 -0.00009581
0.01281298 -0.02984490 -0.00119783
14.19721030 16.42934812 -21.24976323
0.00006827 -0.00008373 -0.00013962
0.03685788 -0.00291631 -0.00644865
-14.67117606 17.46996992 -13.28054350
0.00025429 0.00032777 -0.00031635
-0.00227542 -0.02151437 0.01109767
1.53845897 15.08270105 8.07695618
-0.00026103 0.00006720 -0.00054933
0.01279051 -0.00683826 -0.01901412
-4.48018202 -9.25023975 3.95696999
0.00024347 0.00010997 -0.00008623
0.00882233 -0.00714594 -0.03191689
2.11884738 -5.22306475 2.34663695
0.00005840 0.00013667 -0.00019583
0.01232347 0.06973380 -0.02307550
9.68002870 7.11745935 4.48634816
-0.00005904 0.00018442 -0.00019060
0.03501715 -0.03078251 0.03284914
-9.24350844 -10.16466603 -2.76654002
-0.00018773 -0.00032187 0.00034979
0.03490632 -0.01521650 0.01552971
3.50482969 -15.60552388 -13.07155380
-0.00017193 0.00008597 -0.00039232
0.01727820 0.02614117 -0.01128550
3.76616914 -5.70670286 -3.34234967
-0.00001997 -0.00006773 0.00051449
0.01968034 0.00694888 -0.01343847
18.41543784 1.94172742 24.55037822
-0.00002991 0.00009103 -0.00010533
-0.00311924 -0.03203881 -0.01693130
-8.82223665 2.64223939 1.51906725
-0.00009902 -0.00024478 -0.00001691
-0.01472671 0.00062957 0.00520175
-6.14478114 12.73807312 -9.84679761
0.00051166 -0.00035797 0.00010822
-0.02228943 -0.01322748 0.00945708
1.62754476 13.23698905 -7.62716247
-0.00004446 0.00014575 -0.00010001
-0.00175102 0.00883009 0.04544275
-10.95518351 10.09347315 -12.52702264
-0.00036449 -0.00023620 -0.00003570
-0.00969171 -0.02071688 0.01034889
7.89483233 4.07955073 14.58218692
-0.00024282 -0.00047241 0.00022076
0.01135683 -0.00138392 0.00210242
-15.52277432 9.70078784 -8.05350881
0.00035240 0.00033936 0.00050551
0.01772907 0.00422019 0.01326787
8.75531637 7.78708695 -3.05554378
-0.00029758 0.00003247 -0.00000114
0.02480825 0.00878168 0.05526884
14.17405663 -20.69299166 -26.76400194
-0.00000789 -0.00014428 0.00019374
-0.01712469 -0.01510973 0.02932295
5.03906517 6.95389544 1.59917510
0.00022301 -0.00034643 0.00035519
-0.01973364 0.03785069 0.02743320
18.31910075 -5.84978095 -7.56804188
-0.00033118 0.00004939 0.00007748
0.03664192 -0.01099792 0.03344241
-1.90068073 -2.07288145 -2.07252219
-0.00020571 -0.00004878 -0.00004695
-0.00732292 0.02710610 -0.00144815
2.76781351 -2.05605725 -12.02913756
-0.00004926 -0.00011992 0.00000111
0.02587721 -0.02130961 -0.00248689
19.64108295 9.30934552 -6.19712120
0.00023194 -0.00031637 0.00022720
-0.01083208 0.00326141 -0.00116816
-7.54781401 5.78375049 8.90621708
-0.00029595 -0.00014480 -0.00034981
-0.01599213 0.07224513 -0.00481384
-1.82665194 -16.07362878 11.41484248
0.00019951 -0.00008034 -0.00012704
-0.00404018 0.01834963 -0.00381450
7.56672023 -0.46080183 -4.57408824
0.00005125 0.00008588 -0.00058692
0.01227031 0.00555303 0.04399168
-0.98407409 -12.11326652 0.64111253
-0.00012220 -0.00021757 0.00011180
0.00453446 0.00379561 -0.00018607
-19.95834841 -0.72379397 5.27248942
-0.00009422 0.00054591 0.00003697
-0.01156833 -0.00576398 0.02302194
-6.37238230 7.85704002 -25.06032978
-0.00037894 0.00023282 -0.00029112
0.04778094 0.00876879 -0.01155476
2.59943880 1.92907089 -1.81257102
-0.00047298 0.00015820 -0.00014872
-0.01092218 -0.02338734 0.00952058
14.77936828 8.25674761 4.12523151
-0.00034995 -0.00017164 0.00002350
0.00484436 0.00182247 0.00803068
-8.34935250 -6.77162356 10.30757783
0.00024806 -0.00052027 -0.00046876
0.02902382 -0.02759631 0.02643712
-10.07039854 -6.20596554 8.24771344
-0.00034789 0.00073605 0.00010344
0.00060418 0.01637644 0.01096295
-13.12385189 6.12771170 7.68662915
0.00019830 -0.00023414 -0.00014199
-0.00404816 -0.00283395 -0.00405325
-13.90818004 3.43570283 8.21211806
0.00007164 -0.00062929 0.00042434
0.00371073 -0.01968402 0.00192892
-14.99240169 1.69705068 4.56065697
0.00082331 -0.00041988 -0.00004853
0.01885999 0.00208641 0.01580493
-17.35967601 0.75865938 3.47245460
-0.00107734 -0.00039371 0.00070088
-0.00402411 -0.00079477 -0.00286027
2.97154587 -21.32743736 12.55182953
-0.00149275 0.00072172 0.00090235
0.00006833 0.01495793 0.01663674
3.04716994 -19.34645371 14.98228095
-0.00017762 -0.00075886 -0.00122622
0.00511855 -0.01145841 -0.00845590
9.20821337 19.05960134 0.72797524
0.00000639 0.00062025 -0.00174001
0.00425877 -0.01138641 -0.00269080
8.29302389 21.72775893 1.40724645
0.00075066 0.00075319 0.00058856
0.01564079 -0.00106937 -0.00685171
-10.53837303 12.45613824 16.91353466
0.00006078 -0.00149999 0.00043202
0.00723340 -0.00072533 0.00611233
-11.66788263 14.52124866 15.20248157
0.00034184 0.00134623 0.00068991
0.00234829 -0.01174260 -0.00315184
-5.92841870 -0.11349977 -14.27283706
-0.00039633 -0.00016221 -0.00003169
0.00450522 0.00814403 -0.00869680
-6.44854719 0.02793749 -11.46330563
-0.00069314 -0.00037101 -0.00026675
0.00025985 0.03763649 -0.02474809
-8.31906030 8.22435435 -6.37264988
0.00061213 0.00030795 -0.00044223
0.00591847 0.00687029 -0.00138346
-9.93879542 6.23193048 -5.34971816
0.00080019 0.00077046 -0.00025110
-0.00431611 0.00423906 -0.00056666
-7.54701620 -1.78335521 18.10288801
-0.00024798 0.00024976 -0.00014769
0.00040241 -0.04722239 -0.00296094
-7.37988220 -4.24259447 19.86258682
0.00059748 0.00023497 -0.00048753
-0.00374037 0.00844933 -0.02691777
-24.74556976 -6.46520541 -23.25445536
-0.00034202 -0.00005191 -0.00029453
-0.01531125 0.00769160 -0.00078674
-21.94478070 -6.34901901 -23.37995216
0.00045658 -0.00165247 -0.00077459
-0.00429400 -0.01080592 -0.00146587
8.67343282 13.07708349 4.79677110
-0.00060215 0.00035408 0.00091693
0.01014431 -0.00544940 -0.02239449
9.17008682 11.68255914 7.55191946
0.00099138 -0.00063419 0.00069526
0.00701746 0.00217755 -0.01385275
23.64714683 27.38038987 -2.47695995
0.00152126 0.00022395 -0.00033291
-0.00088080 -0.00771020 0.00397532
23.14263342 30.23633479 -1.83333900
-0.00042857 -0.00070259 0.00012422
-0.00360607 -0.01152639 -0.00079522
10.96035160 -0.85565310 -14.51328833
0.00091339 -0.00082784 0.00024371
-0.00806266 0.01044175 0.00126977
8.19392219 -1.54142367 -14.55198934
0.00037837 0.00038530 -0.00067961
-0.00083811 -0.00701500 0.00524120
-9.78471515 -0.83592123 14.32418368
0.00042724 -0.00056627 -0.00054267
-0.00073462 -0.01709256 -0.01287411
-9.41688428 -2.54554373 11.60287247
0.00016998 -0.00109838 -0.00055147
-0.00699997 0.00740450 0.02845257
-2.98957542 -26.40538681 12.13948853
-0.00086234 -0.00020430 -0.00007679
0.00834204 0.00467636 -0.02767547
-3.25459006 -25.80128262 9.08321517
-0.00037942 0.00012560 0.00043483
-0.00949512 0.00066154 -0.00437292
-14.66759001 -2.62463913 -6.29370693
-0.00037867 -0.00000257 -0.00028614
0.00108782 0.00448003 0.00272199
-16.17653695 -3.52390536 -8.58497810
0.00025962 -0.00056863 -0.00094375
-0.00781163 0.00156074 -0.00717492
-18.99949050 -9.32305748 -18.88157674
-0.00032587 -0.00151533 -0.00050591
0.01260961 0.00191743 -0.00614339
-18.24582129 -12.35019299 -18.82827201
0.00031700 0.00031038 -0.00054723
-0.00026074 0.01819780 -0.00557269
22.60940161 5.77921993 3.54125127
0.00038012 -0.00050587 0.00026595
0.00454186 0.02047318 -0.00681259
20.29965034 6.53871923 5.41864521
-0.00034436 -0.00030851 0.00054958
-0.00488296 0.02698500 0.00031873
18.25471036 -10.91348839 -12.06831525
0.00083111 0.00001771 -0.00065553
-0.02832059 0.01427920 0.05555754
18.36962801 -10.71309283 -14.70182210
0.00052704 0.00032611 0.00028804
-0.00067113 0.00403120 -0.02356074
-2.08998817 1.19788269 -7.23287049
0.00153113 -0.00078687 0.00061591
-0.00569502 -0.01493222 0.00605655
-4.70373076 0.36679866 -6.12830877
-0.00034734 0.00016057 -0.00007894
0.00661826 -0.00219687 -0.00308789
-2.82534998 -4.49869499 -18.34374946
-0.00048368 0.00022575 -0.00071740
-0.01709504 0.01457751 0.01225276
-3.63629322 -1.72075441 -18.59673598
0.00003921 0.00034902 -0.00007857
-0.00040887 0.01970893 -0.00739765
13.81126258 17.49791676 -19.84715147
0.00015771 0.00114938 -0.00032896
-0.00970636 0.00201833 0.00144543
12.72474810 15.72932367 -22.03857242
-0.00041648 0.00025276 0.00015620
-0.01884586 0.00004529 0.00777757
-13.76377595 17.18029386 -11.67403953
-0.00011537 -0.00018608 0.00074536
-0.00849535 0.00296880 -0.01876295
-14.68178694 15.75618104 -14.15361159
-0.00004909 0.00171195 -0.00015411
0.00370774 0.01758529 0.00841915
1.77051652 15.75044977 6.35626432
0.00129626 -0.00017719 -0.00053586
-0.00624962 -0.00491282 0.01888127
0.08616613 15.85704384 8.84928343
-0.00112212 0.00004225 0.00084734
-0.00723359 0.00764532 -0.00028599
-5.44877939 -8.19622518 2.68710977
0.00195829 0.00056649 -0.00075562
0.01641057 -0.01980017 0.02016314
-3.13809481 -10.27926501 3.01424126
-0.00028805 -0.00011610 0.00051544
-0.02796864 0.02386441 0.00590962
1.33709706 -3.60927724 3.13302494
-0.00101293 -0.00016444 0.00078769
0.02337856 -0.03596175 -0.01355854
3.19563373 -4.36445483 0.92630278
-0.00007740 -0.00028006 0.00043552
-0.02876577 -0.03287626 0.04205668
8.37198288 7.80082608 3.59348707
-0.00033080 -0.00002991 0.00030935
-0.04814861 0.02075702 -0.03280189
11.20227170 7.94038911 3.97080406
-0.00027790 -0.00030271 -0.00082929
0.02022436 0.00841986 -0.00248846
-7.73073912 -11.31106528 -2.36749882
0.00094430 0.00002411 0.00002650
-0.03390595 0.01110842 -0.00821330
-10.29305481 -9.94624980 -1.29606164
-0.00026399 -0.00008335 -0.00046656
-0.00064761 0.00180643 0.00597051
5.26277299 -15.59042526 -12.50300705
-0.00017568 -0.00108083 0.00013605
-0.00042049 -0.00279407 -0.01421671
2.81152855 -16.71333392 -11.88125287
-0.00004479 0.00000037 0.00149104
-0.02360712 -0.02323470 0.02317788
4.93687518 -4.97797233 -4.64209512
0.00042537 0.00038114 0.00048651
-0.01795745 -0.00110972 0.00310206
5.03990931 -6.71442177 -2.50774283
0.00018478 0.00098176 -0.00080795
-0.00096262 -0.00814285 0.01151919
16.75812374 2.59764580 24.10158100
-0.00040592 0.00007062 0.00030220
0.00178427 0.00350412 0.01002495
19.40326638 3.04705086 25.59453572
0.00014237 -0.00042067 -0.00017043
-0.00013193 0.01657461 0.00215954
-9.62961431 0.99764568 1.47846174
-0.00027578 -0.00020854 0.00033257
-0.00041640 -0.00407675 -0.00248147
-9.95685582 3.57416605 2.64082272
-0.00047640 -0.00123345 0.00043888
0.00915025 0.00245564 -0.00821706
-5.01543440 13.60066589 -8.66525814
0.00024906 -0.00029002 0.00060464
-0.00716744 0.00625958 -0.00383551
-7.68788926 12.37871454 -8.82327672
0.00028211 -0.00021344 0.00009909
0.01472246 0.00499331 -0.01567596
1.07702888 11.83011496 -6.53813868
0.00126405 0.00032229 0.00074046
-0.00114891 0.00731731 -0.01736635
1.85622354 14.53336060 -6.23890045
-0.00020811 -0.00059654 0.00072541
0.00662146 -0.01688053 -0.02533561
-10.60956203 8.30888651 -12.91964671
-0.00062300 0.00101345 -0.00022547
0.00174377 0.01461001 -0.00194893
-11.95986867 9.91283868 -10.98371186
0.00022297 0.00022046 0.00081009
0.00455253 0.00746099 -0.00546268
7.69827139 5.23590651 13.18189665
0.00063115 0.00073187 0.00010151
-0.01205806 -0.00087274 -0.00186969
9.70466822 3.91739007 14.49226622
-0.00039398 0.00036454 -0.00039782
0.00356594 -0.00469469 0.00248151
-14.11394599 10.55437946 -7.13316816
-0.00025046 0.00117715 0.00045058
-0.01467607 0.00129302 -0.01922579
-16.94663598 10.84330039 -7.95978097
-0.00034765 0.00006661 0.00011213
0.00082815 0.00282855 0.00042719
9.17794328 9.40258674 -2.16311174
0.00043446 -0.00069080 0.00011749
-0.01149454 -0.02637865 -0.02708169
7.86401916 8.05860717 -4.56010032
-0.00083194 -0.00058988 -0.00095841
-0.01877304 0.01167091 -0.02552732
14.46486149 -19.06672495 -27.43602793
0.00002385 0.00026325 0.00019289
0.00558188 0.02731388 -0.01356454
13.36434535 -20.34846666 -25.11640983
0.00018200 0.00019304 -0.00034934
0.01101606 -0.00194411 -0.01285523
5.07988569 5.28696810 2.19409208
-0.00098171 -0.00061678 0.00017666
0.00737976 -0.03520591 0.00600534
5.74051333 7.01236209 -0.02300947
-0.00072549 0.00045508 -0.00045336
0.01536086 -0.00275438 -0.03275516
19.86945874 -6.57992490 -6.74672335
0.00077737 0.00159138 -0.00016182
-0.02287548 0.01247973 -0.01696330
17.42313264 -5.08559654 -6.13488767
-0.00008925 -0.00030461 -0.00078888
-0.00918010 0.00417130 -0.00396307
-2.65299287 -0.75780677 -0.96907401
0.00035205 -0.00052678 -0.00024222
0.00954698 -0.01515445 -0.01223420
-2.10251533 -1.33396339 -3.83840944
0.00013854 -0.00111732 0.00031276
0.00185161 -0.01166561 0.02354851
4.04408302 -3.48473043 -12.20187975
0.00032476 -0.00023866 -0.00053856
-0.02616167 0.02207084 0.00141735
1.05833827 -2.75075515 -11.77994112
0.00025837 0.00002609 -0.00018437
0.00339828 -0.00302248 0.00183790
19.67484335 8.39045155 -7.78152309
0.00043161 0.00087444 0.00039418
0.00031427 -0.00294971 -0.00549876
20.82858324 8.39567241 -5.17230941
-0.00048736 -0.00004130 -0.00065398
0.01542056 -0.01121400 0.00862759
-7.05684041 4.10497708 9.04924705
0.00025101 -0.00113252 -0.00077780
0.01202272 -0.05215305 0.01023789
-7.42922676 6.66658985 10.51472919
0.00103783 -0.00015826 -0.00057733
0.00188275 -0.01194658 -0.00759640
-2.25418663 -17.81726512 11.61538223
0.00054968 -0.00035728 0.00020114
-0.00295076 -0.00515357 -0.00686233
-2.81527446 -15.34136425 10.02395092
0.00008851 -0.00068771 -0.00030533
0.00428620 -0.00928265 0.01226328
8.46123996 -0.70214512 -2.85290418
0.00031032 0.00005894 0.00032251
-0.01455206 0.01573330 -0.03414641
7.54021240 1.22326474 -5.31547208
-0.00027726 -0.00025715 0.00026279
0.00968265 0.00129750 0.00673034
0.38739024 -11.83975051 1.87077382
-0.00031275 -0.00003197 -0.00023056
-0.00225159 0.00029900 -0.00259927
-0.89032548 -10.55186017 -0.39980129
0.00001526 -0.00023635 0.00038535
-0.00597946 -0.00361488 0.00819693
-19.65186291 -1.64170306 6.94782411
0.00046213 0.00026480 0.00032438
0.00024070 0.01868702 -0.01781442
-21.24233087 0.49696905 5.81306043
0.00020083 -0.00065390 0.00053304
0.00901711 -0.00549141 -0.00807754
-4.87148816 8.20512548 -26.30157439
-0.00014480 -0.00044742 0.00038220
-0.03267119 -0.00407179 0.02282794
-5.49896569 7.38433318 -23.51868164
0.00093050 0.00090263 -0.00197916
-0.00422433 0.00106488 -0.00090253
4.23458366 1.68851300 -2.57411875
-0.00084478 0.00010907 0.00072074
0.00038831 -0.00729036 0.00156689
1.93690199 0.20938173 -1.37090290
0.00096662 -0.00036828 -0.00000039
0.00830479 0.02904908 -0.01377583
14.85255115 7.34264202 5.78512252
0.00015315 0.00021308 0.00046625
0.00571195 0.02043787 -0.01511608
15.74201694 9.87788708 4.12686879
0.00008272 0.00087929 -0.00027980
-0.01266074 -0.02144450 0.00968929
1.50349828 -11.77434373 -13.86338121
0.00012715 0.00001856 -0.00015855
0.00332370 0.00584874 0.00215008
-13.56310382 14.60360714 22.72085204
-0.00000533 0.00014086 0.00015851
-0.00308292 -0.00236474 -0.00026368
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02520802
0.35652179
475.04740531
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1289129259
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3139342778 (a.u.)
total exchange computation time: 2.6373810768 s
-153.9492436787
-931.38014034
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1289129259
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3139113892 (a.u.)
total exchange computation time: 2.6380650997 s
-153.9504703323
Anderson extrapolation: theta=1.3534602752 (1.3534602752)
-931.38037080
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1289129259
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3137822207 (a.u.)
total exchange computation time: 2.6379079819 s
-153.9530075916
Anderson extrapolation: theta=0.0516437620 (0.0516437620)
-931.38050896
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1289129259
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3136954158 (a.u.)
total exchange computation time: 2.6365869045 s
-153.9538801896
Anderson extrapolation: theta=1.8788438114 (1.8788438114)
-931.38051396
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1289129259
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3135052685 (a.u.)
total exchange computation time: 2.6369788647 s
-153.9557042035
Anderson extrapolation: theta=0.2077738137 (0.2077738137)
-931.38051894
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1289129259
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3134567258 (a.u.)
total exchange computation time: 2.6358420849 s
-153.9561132603
Anderson extrapolation: theta=1.8622943382 (1.8622943382)
-931.38051981
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1289129259
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3133842137 (a.u.)
total exchange computation time: 2.6381008625 s
-153.9566816393
Anderson extrapolation: theta=0.2813271694 (0.2813271694)
-931.38052086
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1289129259
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3133821669 (a.u.)
total exchange computation time: 2.6351671219 s
-153.9566547347
Anderson extrapolation: theta=1.3428132661 (1.3428132661)
-931.38052111
-22.700665 -171.612904 -243.924269
-137.739327 458.110454 -804.353435
-160.439992 286.497550 -1048.277704
1098.502609
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1289129259
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3133927683 (a.u.)
total exchange computation time: 2.6376781464 s
678.10032255
-1082.28431493
89.74743348
-389.99226816
-174.63830147
77.47483972
551.60419304
0.00000000
-931.38052130
-9.23172403 -5.36973297 9.69030581
0.00004544 0.00018388 0.00022368
-0.02424252 0.00599192 -0.03331713
-13.83665057 5.04986411 8.99340470
0.00014235 -0.00005692 -0.00020163
0.00347665 0.01964654 0.01032983
-15.78784471 1.58990435 2.95377555
-0.00000641 -0.00003800 -0.00011684
-0.02250040 -0.00486783 -0.00389198
2.45716990 -19.68904187 13.29552740
0.00001489 -0.00008032 0.00030676
-0.01777680 0.00113718 -0.02154124
9.70005037 20.80601430 0.49682540
0.00041464 -0.00010213 -0.00015197
-0.01928954 0.01995572 0.00259494
-11.13415289 12.75121726 15.18189166
-0.00015851 0.00002184 0.00002378
-0.01341054 0.01926434 -0.01218778
-6.02563508 1.18123002 -12.98731863
0.00003104 -0.00005608 0.00019952
-0.00129489 -0.04906952 0.03033159
-8.96758906 6.61722137 -6.85279106
0.00017890 0.00026154 0.00014021
-0.00655289 -0.01112694 -0.01034977
-7.54463678 -3.71754443 18.04137442
0.00031302 -0.00008555 0.00002989
0.00632328 0.03292101 0.02486779
-23.34312839 -7.56290133 -23.45479304
-0.00022891 0.00002085 -0.00027427
0.01188066 0.00222618 -0.00991075
8.32668768 13.00425809 6.54481677
0.00044265 0.00042242 -0.00002017
-0.01372883 0.00259994 0.05041465
23.24732476 28.99341989 -3.19984392
-0.00038159 -0.00047241 0.00043291
-0.00216427 0.02073384 -0.00711749
9.29873621 -0.07493059 -14.61426100
0.00023655 0.00038785 0.00000291
0.01473993 -0.00248962 -0.00857592
-9.02973331 -1.05364638 12.66634214
-0.00025782 -0.00006917 -0.00021316
0.01063693 -0.00169842 -0.02133095
-2.11687027 -25.93024769 10.47756312
-0.00004854 0.00005571 0.00015116
0.00445656 -0.00769535 0.02540651
-15.19655584 -4.14972609 -7.21492202
-0.00014219 0.00028455 -0.00001436
0.00286321 -0.02570938 -0.01106404
-19.39516523 -10.98515266 -18.27790833
-0.00008264 0.00005953 0.00010602
-0.00951990 -0.03360869 0.01235807
21.29286364 5.29841003 4.65593763
-0.00046581 0.00047028 0.00002229
0.00603545 -0.04807855 0.00639494
19.18146014 -11.63216201 -13.36711217
0.00076691 0.00012751 0.00029571
0.02825753 -0.02095734 -0.04322748
-3.05465887 -0.27483626 -6.61822316
-0.00046765 -0.00018402 0.00021722
0.00629333 0.02188359 -0.00754955
-3.86651543 -3.17085244 -17.54571086
0.00033765 -0.00007023 -0.00009654
0.01136341 -0.02555627 -0.00165665
14.19837658 16.42808090 -21.25188244
0.00008670 -0.00008460 -0.00014211
0.03481052 -0.00044862 -0.00321352
-14.66737045 17.47480346 -13.28524593
0.00025365 0.00031819 -0.00030870
-0.00022914 -0.01571649 0.01864065
1.53459282 15.08368271 8.06864283
-0.00025603 0.00006438 -0.00055781
0.00664430 -0.00415278 -0.01396678
-4.47649595 -9.24861775 3.95555339
0.00024774 0.00010652 -0.00010229
0.00780046 -0.00625707 -0.03052737
2.11977086 -5.22074565 2.34361046
0.00006386 0.00017231 -0.00020654
0.00891775 0.06886007 -0.01855325
9.67927816 7.12010689 4.48361587
-0.00004134 0.00016842 -0.00017358
0.03382702 -0.03143016 0.03332454
-9.24618970 -10.16955281 -2.76123327
-0.00016863 -0.00033009 0.00035658
0.03935756 -0.01672763 0.01089204
3.50231732 -15.60413351 -13.07748218
-0.00016399 0.00009714 -0.00039566
0.01363122 0.01731018 -0.00169930
3.76594546 -5.70769195 -3.33468419
-0.00001058 -0.00006275 0.00050612
0.01685084 0.01241664 -0.01910694
18.41497713 1.94296935 24.54873302
-0.00003211 0.00007434 -0.00011438
-0.00541656 -0.03288148 -0.01829362
-8.82377873 2.63857011 1.51883366
-0.00010685 -0.00024466 -0.00001406
-0.01574180 -0.00014281 0.00587995
-6.13719228 12.73265256 -9.84513784
0.00050018 -0.00036461 0.00011345
-0.02235152 -0.01260277 0.01090336
1.62687112 13.23920930 -7.62848740
-0.00004529 0.00015029 -0.00007626
-0.00149011 0.00885836 0.04693711
-10.96068818 10.08985030 -12.52751828
-0.00037020 -0.00024459 -0.00002944
-0.01253697 -0.01193841 0.01400949
7.89123389 4.07245929 14.58550650
-0.00023739 -0.00047189 0.00022048
0.00975990 0.00339451 -0.00319785
-15.51741991 9.70589450 -8.04587499
0.00036071 0.00034187 0.00051227
0.01458723 0.00553945 0.01303216
8.75094834 7.78760788 -3.05534765
-0.00028615 0.00003641 0.00002494
0.01964143 0.00653920 0.04613047
14.17387220 -20.69521417 -26.76098272
-0.00001615 -0.00015113 0.00020765
-0.01498596 -0.01151895 0.02476588
5.04233414 6.94884498 1.60460881
0.00021329 -0.00032721 0.00036861
-0.01803056 0.03688972 0.02475238
18.31427438 -5.84908257 -7.56675074
-0.00031124 0.00004309 0.00009341
0.04091694 -0.01348847 0.02850942
-1.90379466 -2.07350854 -2.07323197
-0.00020880 -0.00003628 -0.00004741
-0.00468181 0.02148535 -0.00034352
2.76717446 -2.05793829 -12.02913051
-0.00003512 -0.00013090 -0.00000040
0.02909017 -0.02137857 -0.00339485
19.64452030 9.30461251 -6.19371772
0.00022505 -0.00031300 0.00022654
-0.01595574 0.00986212 -0.00138467
-7.55231500 5.78185721 8.90095141
-0.00030341 -0.00011042 -0.00035233
-0.01298540 0.06144563 -0.00497846
-1.82367490 -16.07476303 11.41292222
0.00019735 -0.00007148 -0.00012888
-0.00433496 0.01610022 -0.00335682
7.56753633 -0.45949216 -4.58272232
0.00005805 0.00008759 -0.00056279
0.01418398 0.00108871 0.04982465
-0.98588953 -12.11651546 0.64278876
-0.00012018 -0.00021575 0.00011143
0.00330840 0.00327567 -0.00124019
-19.95980629 -0.71562757 5.27313284
-0.00009895 0.00054160 0.00004888
-0.00682026 -0.01100799 0.02329341
-6.37788207 7.86056614 -25.06474121
-0.00035490 0.00023766 -0.00029825
0.04567834 0.01006101 -0.01616246
2.59230200 1.93135370 -1.81476505
-0.00047951 0.00014601 -0.00014332
-0.01449782 -0.02401316 0.01145472
14.77413777 8.25418009 4.12561492
-0.00034649 -0.00016929 0.00002784
0.00859187 0.00731034 0.00886518
-8.34474224 -6.78027320 10.30135659
0.00036195 -0.00062579 -0.00036428
0.02672641 -0.02405812 0.02470416
-10.07559840 -6.19442293 8.24960097
-0.00034560 0.00080266 0.00014810
0.00051883 0.01622860 0.01090091
-13.12100140 6.12411274 7.68437511
0.00018242 -0.00024550 -0.00016032
-0.00372541 -0.00272474 -0.00492129
-13.90699177 3.42566035 8.21854231
0.00008754 -0.00070468 0.00043373
0.00407321 -0.01722243 0.00266591
-14.97947413 1.69081646 4.56041331
0.00089598 -0.00041183 0.00000946
0.01671239 0.00185043 0.01258323
-17.37595939 0.75272939 3.48288016
-0.00107891 -0.00038963 0.00068566
0.00325499 0.00279216 -0.00459242
2.94915672 -21.31615322 12.56587453
-0.00148682 0.00076695 0.00096238
0.00283647 0.00718374 0.01275130
3.04466249 -19.35818772 14.96362857
-0.00014824 -0.00080017 -0.00123557
0.00926472 -0.00876209 0.00387717
9.20843972 19.06855613 0.70179256
0.00001992 0.00056288 -0.00174850
0.00236413 -0.01669732 -0.00146311
8.30476305 21.73902405 1.41586497
0.00081662 0.00074468 0.00055776
0.01664942 -0.00309564 -0.00822767
-10.53723973 12.43361613 16.92020219
0.00008751 -0.00149945 0.00044974
0.00585189 0.00098931 0.00256308
-11.66268308 14.54108229 15.21273362
0.00035621 0.00128272 0.00067822
0.00468555 -0.01934657 -0.00256901
-5.93422566 -0.11568343 -14.27357887
-0.00037783 -0.00012611 -0.00006545
0.00455225 0.00952861 -0.00783162
-6.45893628 0.02352557 -11.46806528
-0.00069189 -0.00021695 -0.00036551
0.00035016 0.03777939 -0.02359476
-8.30969703 8.22918418 -6.37932578
0.00063587 0.00033483 -0.00044856
0.00570463 0.00628592 -0.00171230
-9.92692487 6.24361729 -5.35350206
0.00077611 0.00078509 -0.00024365
-0.00746803 0.00292224 0.00421595
-7.55072360 -1.78105583 18.10058198
-0.00024584 0.00005439 -0.00015975
0.00064433 -0.04841467 -0.00294315
-7.37103462 -4.23881108 19.85444903
0.00058240 0.00026716 -0.00059062
-0.00363987 0.00730786 -0.02354653
-24.75116931 -6.46574841 -23.25889744
-0.00040109 -0.00001975 -0.00029793
-0.01360255 0.00805049 -0.00087691
-21.93806364 -6.37413711 -23.39161592
0.00044319 -0.00168896 -0.00077973
-0.00225700 -0.00705776 -0.00105180
8.66471147 13.08222775 4.80983884
-0.00055653 0.00033164 0.00080585
0.01218502 -0.00553701 -0.03197960
9.18517252 11.67311295 7.56192385
0.00101224 -0.00061321 0.00062927
0.00319378 0.00809611 -0.01845054
23.66993870 27.38351281 -2.48183174
0.00151881 0.00018602 -0.00031343
-0.00031738 -0.01085648 0.00556016
23.13609440 30.22544279 -1.83150003
-0.00044346 -0.00074618 0.00012505
-0.00368347 -0.00981138 0.00120131
10.97380537 -0.86775071 -14.50959383
0.00086615 -0.00077748 0.00024798
-0.01506003 0.01421001 0.00082324
8.19957207 -1.53585917 -14.56202282
0.00037326 0.00035585 -0.00065800
-0.00166348 -0.00739898 0.00533430
-9.77832903 -0.84493902 14.31564907
0.00041986 -0.00063482 -0.00058549
-0.00287686 -0.01646486 -0.00808363
-9.41454905 -2.56179256 11.59547231
0.00014381 -0.00105977 -0.00042924
-0.00581073 0.01149611 0.03137970
-3.00225484 -26.40830794 12.13748860
-0.00082593 -0.00018445 -0.00019020
0.00947933 0.00503736 -0.02783786
-3.26057236 -25.79937840 9.08960364
-0.00041726 0.00012851 0.00041600
-0.00902830 0.00076476 -0.00484710
-14.67323666 -2.62454038 -6.29791567
-0.00037289 0.00002115 -0.00027341
0.00174060 0.00712943 0.00351053
-16.17288209 -3.53238697 -8.59935420
0.00022989 -0.00056278 -0.00096929
-0.00673974 0.00130074 -0.00532742
-19.00399208 -9.34572867 -18.88935364
-0.00027054 -0.00148649 -0.00053766
0.01447242 0.01220174 -0.00940083
-18.24107427 -12.34497959 -18.83665124
0.00031259 0.00038518 -0.00056783
-0.00189617 0.01841565 -0.00451015
22.61524263 5.77225929 3.54503177
0.00039512 -0.00042178 0.00024175
0.00279676 0.02068572 -0.00503428
20.29433536 6.53491845 5.42689868
-0.00036675 -0.00019261 0.00055311
-0.00608041 0.02974813 0.00141132
18.26630917 -10.91278518 -12.07644577
0.00070861 0.00008104 -0.00041708
-0.03164278 0.01672281 0.06116548
18.37751302 -10.70807763 -14.69822351
0.00052681 0.00034002 0.00019384
0.00055989 0.00277950 -0.02255192
-2.06719574 1.18562201 -7.22344630
0.00150202 -0.00085126 0.00064271
-0.00855517 -0.01658689 0.00706277
-4.70873800 0.36913985 -6.12958751
-0.00032007 0.00015353 -0.00009154
0.00672837 -0.00124815 -0.00307810
-2.83312904 -4.49486205 -18.35413494
-0.00054976 0.00028097 -0.00066946
-0.01525235 0.01245436 0.01121296
-3.63571766 -1.71491523 -18.59814129
0.00003671 0.00042547 -0.00010578
-0.00081317 0.01771611 -0.00591730
13.81333079 17.51521934 -19.85204153
0.00012038 0.00115167 -0.00033051
-0.00856755 -0.00090085 -0.00220632
12.71792341 15.73311650 -22.03599111
-0.00049137 0.00025390 0.00018883
-0.01781573 0.00050947 0.00819511
-13.76576685 17.17759368 -11.66343406
-0.00015465 -0.00017256 0.00065937
-0.01073267 0.00364740 -0.02333248
-14.68240972 15.78239923 -14.15566530
-0.00003392 0.00177054 -0.00012533
0.00371953 0.01109219 0.00567242
1.78976896 15.74764141 6.34880500
0.00126733 -0.00019590 -0.00045735
-0.00791546 -0.00424819 0.01954911
0.06911270 15.85791185 8.86198476
-0.00113572 0.00006695 0.00083451
0.00057576 0.00444723 -0.00599521
-5.41890218 -8.18833462 2.67639332
0.00202173 0.00048677 -0.00067339
0.01464320 -0.01922001 0.02008983
-3.14327253 -10.28027522 3.02215389
-0.00039712 -0.00002188 0.00053735
-0.02542597 0.02225572 0.00481971
1.32261954 -3.61284577 3.14442487
-0.00091366 -0.00031424 0.00072783
0.02521262 -0.03736709 -0.01574501
3.19359125 -4.36966313 0.93412436
-0.00019182 -0.00040966 0.00060263
-0.02724396 -0.03056274 0.03974337
8.36554538 7.80101347 3.59712224
-0.00052751 0.00005458 0.00017561
-0.04814089 0.02060323 -0.03266850
11.19872290 7.93610648 3.95828849
-0.00019291 -0.00026689 -0.00084034
0.02138163 0.00911192 -0.00291999
-7.71761364 -11.31036321 -2.36735295
0.00080016 0.00007187 -0.00000670
-0.03664986 0.01227124 -0.00804204
-10.29703444 -9.94744468 -1.30287713
-0.00027097 -0.00007532 -0.00043392
-0.00277065 0.00212618 0.01000606
5.26012495 -15.60672335 -12.50140189
-0.00017726 -0.00109036 0.00007550
-0.00035201 -0.00187246 -0.01542391
2.81013334 -16.71404037 -11.85817705
-0.00013345 -0.00007877 0.00156849
-0.01979562 -0.01550611 0.01473653
4.94270548 -4.97228925 -4.63470245
0.00034716 0.00037586 0.00050068
-0.02032763 -0.00147412 0.00383671
5.04265157 -6.69994483 -2.51950902
0.00019137 0.00093789 -0.00075120
0.00418740 -0.01333416 0.01625661
16.75208966 2.59881250 24.10642119
-0.00039550 0.00008400 0.00034395
0.00331631 0.00304604 0.01041186
19.40539794 3.04124864 25.59204550
0.00014327 -0.00035034 -0.00015941
0.00057165 0.01785604 0.00323285
-9.63376382 0.99439258 1.48337420
-0.00027576 -0.00022591 0.00032076
0.00042666 -0.00442535 -0.00329987
-9.96372147 3.55573959 2.64715419
-0.00043825 -0.00122090 0.00040556
0.00952591 0.00368394 -0.00809755
-5.01191817 13.59650744 -8.65630610
0.00021888 -0.00026566 0.00058689
-0.00760478 0.00566559 -0.00485339
-7.68320641 12.37566592 -8.82227070
0.00034298 -0.00019294 0.00003414
0.01507308 0.00504366 -0.01611629
1.09595440 11.83517352 -6.52756387
0.00125807 0.00034918 0.00066822
-0.00177897 0.00584470 -0.01799875
1.85330483 14.52389528 -6.22879562
-0.00018015 -0.00066231 0.00062022
0.00706478 -0.01531700 -0.02615945
-10.61885363 8.32453600 -12.92308848
-0.00061276 0.00105597 -0.00023664
0.00327143 0.00620442 -0.00351725
-11.95638456 9.91637417 -10.97172785
0.00024411 0.00025069 0.00078328
0.00579625 0.00733752 -0.00766257
7.70736908 5.24685777 13.18336197
0.00058072 0.00072138 0.00010238
-0.01262571 -0.00425858 0.00229894
9.69886783 3.92271429 14.48637503
-0.00037516 0.00034301 -0.00038577
0.00564297 -0.00584589 0.00341370
-14.11815263 10.57207628 -7.12699863
-0.00030824 0.00118296 0.00037303
-0.01360665 0.00155344 -0.01873337
-16.95182542 10.84438625 -7.95808594
-0.00033991 0.00007455 0.00011338
0.00296489 0.00105651 0.00018735
9.18410794 9.39141644 -2.16217933
0.00038742 -0.00079250 0.00000810
-0.01153076 -0.02340591 -0.02646307
7.85096477 8.05011664 -4.57525866
-0.00089814 -0.00054354 -0.00104546
-0.01362952 0.01101023 -0.01708398
14.46539033 -19.06193923 -27.43355029
0.00004566 0.00036719 0.00013960
0.00509139 0.02356819 -0.01252149
13.36741295 -20.34563060 -25.12204383
0.00022351 0.00018540 -0.00039482
0.00930470 -0.00179828 -0.00941072
5.06538614 5.27663762 2.19692603
-0.00095096 -0.00075623 0.00019783
0.00767559 -0.03305523 0.00435821
5.73010162 7.01910390 -0.03081358
-0.00066636 0.00044190 -0.00057844
0.01358549 -0.00369929 -0.02847437
19.88041838 -6.55567182 -6.74967048
0.00068136 0.00164197 -0.00023161
-0.02412622 0.01228362 -0.01719998
17.42151261 -5.09003792 -6.14684225
-0.00013285 -0.00028211 -0.00079470
-0.01216189 0.00684249 0.00111378
-2.64741961 -0.76617282 -0.97308227
0.00038702 -0.00058158 -0.00028765
0.00757355 -0.01167007 -0.01000365
-2.10038045 -1.35108071 -3.83299639
0.00014421 -0.00116059 0.00040243
0.00092293 -0.00951531 0.02034392
4.04815277 -3.48763402 -12.20991477
0.00021527 -0.00014632 -0.00053205
-0.02743652 0.02313017 0.00176875
1.06231800 -2.75045640 -11.78265028
0.00026848 0.00001156 -0.00017636
0.00154875 -0.00409250 0.00208182
19.68132711 8.40347771 -7.77577886
0.00043242 0.00085739 0.00036215
0.00008363 -0.00539632 -0.01018372
20.82174543 8.39470930 -5.18185467
-0.00041342 -0.00009504 -0.00060897
0.02077039 -0.01509447 0.01340534
-7.05270678 4.08639122 9.03789380
0.00029436 -0.00132435 -0.00073754
0.00919371 -0.04174978 0.00946736
-7.41360165 6.66384982 10.50583643
0.00104525 -0.00020627 -0.00060641
0.00175284 -0.01155121 -0.00663600
-2.24603178 -17.82278218 11.61818907
0.00053853 -0.00037450 0.00017288
-0.00250831 -0.00327984 -0.00697384
-2.81381550 -15.35196439 10.01974676
0.00010573 -0.00072510 -0.00025572
0.00414630 -0.00901880 0.01202181
8.46544879 -0.70077894 -2.84911293
0.00024738 0.00012380 0.00017647
-0.01625393 0.01601924 -0.03734019
7.53635021 1.21944725 -5.31132402
-0.00023781 -0.00024316 0.00028631
0.00962669 0.00555113 0.00478226
0.38262998 -11.84022090 1.86723572
-0.00031900 -0.00003132 -0.00023757
-0.00080510 0.00001907 -0.00082889
-0.89027978 -10.55551613 -0.39376988
-0.00000993 -0.00024957 0.00041678
-0.00635404 -0.00285977 0.00719103
-19.64492352 -1.63715844 6.95214392
0.00046263 0.00034238 0.00024844
0.00000230 0.01928913 -0.01935763
-21.23904216 0.48699229 5.82080852
0.00022850 -0.00066698 0.00050292
0.00453121 -0.00091040 -0.00666913
-4.87466137 8.19828934 -26.29514181
-0.00027805 -0.00046207 0.00046942
-0.03255456 -0.00309914 0.01986440
-5.48513766 7.39790525 -23.54839677
0.00091764 0.00090206 -0.00196674
-0.00207012 -0.00134506 0.00698446
4.22192386 1.68992572 -2.56325970
-0.00083208 0.00007996 0.00072199
0.00582715 -0.00695961 -0.00095470
1.95165585 0.20474775 -1.37133087
0.00099756 -0.00024921 -0.00005549
0.00683712 0.02923351 -0.01319391
14.85502349 7.34646450 5.79165303
0.00017568 0.00029681 0.00040281
0.00531335 0.02054709 -0.01593663
15.74286978 9.89041930 4.12296875
0.00002421 0.00078046 -0.00024038
-0.01598197 -0.02693316 0.00960500
1.50541442 -11.77404957 -13.86575369
0.00012837 0.00002067 -0.00015780
0.00351003 0.00593515 0.00202134
-13.56318913 14.60571589 22.72322921
-0.00000605 0.00014032 0.00015841
-0.00312215 -0.00223157 -0.00059700
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02520819
0.35531311
473.43690615
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1284802596
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3187823006 (a.u.)
total exchange computation time: 2.5514311790 s
-153.9696483865
-931.37749969
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1284802596
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3187414941 (a.u.)
total exchange computation time: 2.5497891903 s
-153.9710259548
Anderson extrapolation: theta=1.3566922218 (1.3566922218)
-931.37772919
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1284802596
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3185926003 (a.u.)
total exchange computation time: 2.5521509647 s
-153.9737554571
Anderson extrapolation: theta=0.0529520457 (0.0529520457)
-931.37786755
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1284802596
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3185091477 (a.u.)
total exchange computation time: 2.5534029007 s
-153.9746223488
Anderson extrapolation: theta=1.9369313807 (1.9369313807)
-931.37787285
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1284802596
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3183250730 (a.u.)
total exchange computation time: 2.5512659550 s
-153.9764549539
Anderson extrapolation: theta=0.2200109898 (0.2200109898)
-931.37787846
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1284802596
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3182800414 (a.u.)
total exchange computation time: 2.5504231453 s
-153.9768550201
Anderson extrapolation: theta=1.8906099562 (1.8906099562)
-931.37787953
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1284802596
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3182165618 (a.u.)
total exchange computation time: 2.5550260544 s
-153.9773852824
Anderson extrapolation: theta=0.2886926345 (0.2886926345)
-931.37788086
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1284802596
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3182195748 (a.u.)
total exchange computation time: 2.5519151688 s
-153.9773249798
Anderson extrapolation: theta=1.3328577043 (1.3328577043)
-931.37788118
-22.677637 -171.644935 -243.873680
-137.715033 458.080776 -804.378071
-160.392670 286.435841 -1048.251751
1098.454838
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1284802596
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3182383967 (a.u.)
total exchange computation time: 2.5520319939 s
678.18151530
-1082.45006453
89.73984398
-389.87890280
-174.65203499
77.56790187
551.60419304
0.00000000
-931.37788143
-9.23113589 -5.36695159 9.69353254
0.00003385 0.00018585 0.00020726
-0.02082296 0.00163516 -0.03056848
-13.83450193 5.04908610 8.99042009
0.00014390 -0.00004761 -0.00019630
0.00255574 0.01653967 0.01041492
-15.78802770 1.58931557 2.95200796
-0.00001899 -0.00004131 -0.00011744
-0.02642585 -0.00801722 0.00156835
2.45732469 -19.69024224 13.30004566
0.00000392 -0.00007820 0.00029345
-0.02486770 0.00709960 -0.03021488
9.70619560 20.80455940 0.49455585
0.00040489 -0.00009012 -0.00015060
-0.01864526 0.02671353 0.00272041
-11.13658222 12.75161919 15.18220135
-0.00016547 0.00003303 0.00001843
-0.01365673 0.02422634 -0.00863351
-6.02517454 1.18019958 -12.98420890
0.00003039 -0.00008149 0.00021446
-0.00122523 -0.04976759 0.02777185
-8.96493089 6.62110162 -6.85072783
0.00017636 0.00025634 0.00013372
-0.00331147 -0.00912371 -0.01489377
-7.53991710 -3.71870069 18.04191867
0.00031608 -0.00006823 0.00004160
0.00558446 0.03442466 0.02068340
-23.34651617 -7.56258005 -23.45894535
-0.00022388 0.00002101 -0.00027940
0.00766858 -0.00160364 -0.01002353
8.33327453 13.01060439 6.54470865
0.00043610 0.00042238 0.00000903
-0.01177123 -0.00275707 0.06312500
23.24159254 28.98641364 -3.19337769
-0.00038285 -0.00046155 0.00042837
-0.00272429 0.02152459 -0.01052777
9.30234138 -0.06912250 -14.61425050
0.00024584 0.00038572 -0.00000143
0.02137303 -0.00576214 -0.00826590
-9.03355952 -1.05469050 12.66306251
-0.00025206 -0.00007115 -0.00022607
0.01173776 -0.00600077 -0.02888573
-2.11758119 -25.92944177 10.47992850
-0.00004667 0.00005162 0.00016417
0.00283862 -0.00820612 0.02520018
-15.19867759 -4.14555701 -7.21518010
-0.00014120 0.00027074 -0.00002080
0.00095660 -0.02798522 -0.01398120
-19.39644149 -10.98438934 -18.27627043
-0.00008759 0.00003966 0.00011297
-0.00976265 -0.04365050 0.01470236
21.28589976 5.30527879 4.65629666
-0.00046201 0.00044503 0.00002487
0.00876196 -0.05012309 0.00361645
19.19307280 -11.63033019 -13.36284326
0.00078155 0.00011676 0.00027224
0.02868509 -0.02083041 -0.04802352
-3.06164939 -0.27751220 -6.61499404
-0.00046366 -0.00017268 0.00021302
0.00924329 0.02221943 -0.00875205
-3.86140684 -3.17200451 -17.54716537
0.00034304 -0.00008201 -0.00009750
0.00960750 -0.02024243 -0.00206313
14.19981141 16.42681023 -21.25402644
0.00010396 -0.00008422 -0.00014300
0.03228316 0.00191691 -0.00024469
-14.66356661 17.47951576 -13.28980456
0.00025396 0.00031183 -0.00029725
0.00144050 -0.00903736 0.02590306
1.53077793 15.08463233 8.06022173
-0.00025411 0.00006282 -0.00056363
0.00084781 -0.00189081 -0.00865434
-4.47274970 -9.24704401 3.95390128
0.00025142 0.00010357 -0.00011744
0.00650658 -0.00521617 -0.02839616
2.12076313 -5.21789532 2.34044082
0.00006747 0.00020715 -0.00021475
0.00511322 0.06661414 -0.01338545
9.67878859 7.12251195 4.48114067
-0.00002468 0.00015247 -0.00015676
0.03094984 -0.03058650 0.03209394
-9.24856732 -10.17456863 -2.75584250
-0.00014745 -0.00033896 0.00036101
0.04301754 -0.01776115 0.00633569
3.49991011 -15.60260961 -13.08342368
-0.00015795 0.00010379 -0.00039402
0.00982471 0.00853856 0.00810511
3.76585179 -5.70858525 -3.32716612
-0.00000272 -0.00005506 0.00049496
0.01372499 0.01746959 -0.02427333
18.41447463 1.94395761 24.54694670
-0.00003539 0.00005730 -0.00012404
-0.00734344 -0.03338143 -0.01925660
-8.82544225 2.63489972 1.51864544
-0.00011517 -0.00024497 -0.00001090
-0.01659099 -0.00109824 0.00640299
-6.12977585 12.72713477 -9.84339396
0.00048878 -0.00037091 0.00011933
-0.02195988 -0.01188023 0.01193975
1.62618599 13.24149788 -7.62945021
-0.00004597 0.00015479 -0.00005192
-0.00116253 0.00860925 0.04770729
-10.96628957 10.08613535 -12.52790583
-0.00037736 -0.00024827 -0.00002131
-0.01528420 -0.00235582 0.01762332
7.88771074 4.06539403 14.58880140
-0.00023271 -0.00046895 0.00021756
0.00841207 0.00803353 -0.00815124
-15.51195298 9.71104390 -8.03814064
0.00036732 0.00034499 0.00051886
0.01110132 0.00661670 0.01256865
8.74673185 7.78817927 -3.05479564
-0.00027753 0.00003898 0.00004606
0.01386996 0.00345123 0.03599982
14.17357217 -20.69752555 -26.75777244
-0.00002320 -0.00015595 0.00021899
-0.01242631 -0.00721934 0.01934047
5.04546400 6.94407911 1.61023348
0.00020457 -0.00030880 0.00038045
-0.01590906 0.03472224 0.02128006
18.30976368 -5.84848826 -7.56523966
-0.00028925 0.00003557 0.00010671
0.04456676 -0.01573577 0.02322984
-1.90694470 -2.07396987 -2.07394441
-0.00021046 -0.00002686 -0.00004725
-0.00177011 0.01515537 0.00095817
2.76675983 -2.05998425 -12.02914965
-0.00001949 -0.00014177 -0.00000235
0.03169598 -0.02088787 -0.00417114
19.64783455 9.29995558 -6.19032491
0.00021559 -0.00030637 0.00022581
-0.02082792 0.01592880 -0.00145360
-7.55691617 5.78043796 8.89564733
-0.00030923 -0.00008190 -0.00035499
-0.00966627 0.04945659 -0.00540219
-1.82073130 -16.07577308 11.41097605
0.00019510 -0.00006387 -0.00013040
-0.00444951 0.01348620 -0.00256136
7.56846186 -0.45817408 -4.59097203
0.00006574 0.00008706 -0.00053591
0.01569108 -0.00317488 0.05473271
-0.98767945 -12.11973912 0.64445543
-0.00011881 -0.00021425 0.00011053
0.00202603 0.00257786 -0.00225778
-19.96131679 -0.70754610 5.27395595
-0.00010116 0.00053461 0.00006077
-0.00180541 -0.01617436 0.02293315
-6.38302943 7.86416987 -25.06927733
-0.00033216 0.00024312 -0.00030760
0.04275828 0.01114735 -0.02017469
2.58505336 1.93345125 -1.81687072
-0.00048779 0.00013368 -0.00013701
-0.01770052 -0.02395997 0.01309986
14.76897355 8.25166897 4.12606673
-0.00034125 -0.00016427 0.00003250
0.01180052 0.01219604 0.00926296
-8.33849402 -6.79039726 10.29664938
0.00046472 -0.00071437 -0.00026806
0.02358133 -0.01930212 0.02239942
-10.08076646 -6.18188574 8.25215657
-0.00034401 0.00086801 0.00019179
0.00025928 0.01575892 0.01048208
-13.11837923 6.12034679 7.68181946
0.00016791 -0.00025637 -0.00018226
-0.00337621 -0.00259535 -0.00581499
-13.90555387 3.41456238 8.22512995
0.00010499 -0.00076891 0.00044656
0.00446935 -0.01421607 0.00361472
-14.96552232 1.68469564 4.56094083
0.00095911 -0.00040481 0.00005319
0.01418896 0.00158860 0.00882157
-17.39204327 0.74697052 3.49302428
-0.00105206 -0.00037167 0.00066376
0.00988684 0.00600090 -0.00612685
2.92694140 -21.30442883 12.58070102
-0.00146947 0.00077854 0.00100558
0.00565221 -0.00150955 0.00839439
3.04272285 -19.37045873 14.94521380
-0.00010124 -0.00083013 -0.00119290
0.01374098 -0.00590666 0.01701001
9.20881096 19.07648760 0.67552022
0.00002578 0.00048486 -0.00175228
0.00050468 -0.02149337 -0.00038830
8.31752259 21.75009945 1.42397924
0.00088594 0.00072813 0.00052167
0.01728165 -0.00500945 -0.00943981
-10.53574779 12.41115464 16.92702681
0.00010856 -0.00149173 0.00045288
0.00445388 0.00279081 -0.00102602
-11.65719636 14.55973024 15.22282824
0.00037934 0.00119000 0.00066873
0.00663834 -0.02604197 -0.00207982
-5.93975362 -0.11728312 -14.27480065
-0.00035914 -0.00008452 -0.00009572
0.00459606 0.01083067 -0.00698433
-6.46930390 0.02142901 -11.47427096
-0.00069064 -0.00006349 -0.00045833
0.00026370 0.03734131 -0.02184308
-8.29998416 8.23439926 -6.38610662
0.00065848 0.00035867 -0.00045638
0.00536367 0.00538588 -0.00211679
-9.91551201 6.25548320 -5.35702758
0.00073923 0.00079445 -0.00021662
-0.01058800 0.00165965 0.00901463
-7.55439151 -1.78172360 18.09809556
-0.00024273 -0.00014364 -0.00017169
0.00087997 -0.04851869 -0.00290238
-7.36241010 -4.23457981 19.84486816
0.00056792 0.00029420 -0.00067842
-0.00345105 0.00593179 -0.01942938
-24.75760251 -6.46579803 -23.26339326
-0.00045218 0.00001320 -0.00030184
-0.01140491 0.00807853 -0.00103865
-21.93148489 -6.39968776 -23.40334414
0.00043853 -0.00170995 -0.00078326
-0.00002491 -0.00321831 -0.00067537
8.65673689 13.08703266 4.82094667
-0.00050332 0.00030884 0.00065767
0.01386234 -0.00562238 -0.04055777
9.20045395 11.66416295 7.57079747
0.00101838 -0.00056952 0.00054580
-0.00018531 0.01329017 -0.02240510
23.69271112 27.38597039 -2.48636276
0.00151854 0.00013645 -0.00028813
0.00018504 -0.01340521 0.00682405
23.12932963 30.21394949 -1.82958744
-0.00045871 -0.00078233 0.00013441
-0.00378211 -0.00788458 0.00338115
10.98633616 -0.87897744 -14.50584888
0.00079227 -0.00071247 0.00025052
-0.02110546 0.01761359 0.00041796
8.20512001 -1.53074812 -14.57172938
0.00036513 0.00032524 -0.00063604
-0.00231593 -0.00758510 0.00541392
-9.77211922 -0.85496586 14.30661904
0.00040363 -0.00070065 -0.00060808
-0.00507003 -0.01575727 -0.00297341
-9.41256995 -2.57733684 11.58999530
0.00012218 -0.00100572 -0.00029629
-0.00477711 0.01496216 0.03369934
-3.01435331 -26.41092036 12.13378259
-0.00078535 -0.00016337 -0.00030326
0.01038248 0.00528090 -0.02750721
-3.26710796 -25.79742730 9.09569505
-0.00045260 0.00013178 0.00039586
-0.00826941 0.00083789 -0.00501026
-14.67877664 -2.62400469 -6.30190926
-0.00036462 0.00005522 -0.00025774
0.00230617 0.00955018 0.00416042
-16.16964028 -3.54078886 -8.61405680
0.00020493 -0.00055819 -0.00098666
-0.00547796 0.00094960 -0.00317494
-19.00760671 -9.36765206 -18.89770668
-0.00020783 -0.00141597 -0.00058288
0.01622499 0.02231610 -0.01273210
-18.23644346 -12.33863757 -18.84530688
0.00030193 0.00046012 -0.00058414
-0.00332482 0.01826548 -0.00347339
22.62125506 5.76656640 3.54850374
0.00040230 -0.00033719 0.00022534
0.00072004 0.02072305 -0.00299624
20.28864774 6.53294082 5.43523863
-0.00039286 -0.00006716 0.00056032
-0.00669928 0.03166371 0.00211493
18.27596871 -10.91105710 -12.08082769
0.00057551 0.00015198 -0.00016075
-0.03351340 0.01800253 0.06431208
18.38543235 -10.70289209 -14.69600704
0.00053194 0.00034842 0.00010488
0.00195075 0.00132893 -0.02099224
-2.04492762 1.17234478 -7.21358926
0.00146159 -0.00092157 0.00067326
-0.01123509 -0.01782665 0.00789109
-4.71333288 0.37140455 -6.13105488
-0.00029277 0.00015050 -0.00010394
0.00663771 -0.00023259 -0.00299340
-2.84184287 -4.49026582 -18.36383322
-0.00060754 0.00032649 -0.00062654
-0.01303177 0.00982915 0.00979758
-3.63519194 -1.70799029 -18.59990925
0.00003246 0.00049277 -0.00012626
-0.00126816 0.01522910 -0.00410921
13.81487393 17.53246672 -19.85706680
0.00008777 0.00114198 -0.00034676
-0.00739497 -0.00384005 -0.00575025
12.71000686 15.73694055 -22.03290755
-0.00056119 0.00025721 0.00022347
-0.01635757 0.00111417 0.00876276
-13.76841551 17.17511702 -11.65425856
-0.00020212 -0.00015648 0.00055618
-0.01250130 0.00422337 -0.02717796
-14.68280454 15.80929722 -14.15737138
-0.00001880 0.00180105 -0.00010871
0.00368259 0.00384163 0.00245914
1.80853629 15.74457269 6.34254377
0.00123190 -0.00021162 -0.00037717
-0.00942661 -0.00344607 0.01970056
0.05209455 15.85905241 8.87431867
-0.00111846 0.00007919 0.00079891
0.00787232 0.00154210 -0.01143031
-5.38812755 -8.18162199 2.66690810
0.00207737 0.00041021 -0.00059228
0.01259403 -0.01825923 0.01961221
-3.15000851 -10.27992145 3.03036190
-0.00049461 0.00006471 0.00055418
-0.02229243 0.02013207 0.00341540
1.30968721 -3.61870440 3.15485985
-0.00080775 -0.00046826 0.00065979
0.02663218 -0.03802939 -0.01756248
3.18987910 -4.37674451 0.94438166
-0.00029838 -0.00052854 0.00075816
-0.02491547 -0.02763153 0.03639199
8.35615752 7.80246355 3.59875529
-0.00071934 0.00013601 0.00004551
-0.04575898 0.01925647 -0.03101315
11.19648450 7.93238229 3.94559397
-0.00010462 -0.00022892 -0.00085278
0.02183768 0.00947842 -0.00317235
-7.70673428 -11.30890909 -2.36769996
0.00064618 0.00012348 -0.00003882
-0.03872448 0.01298975 -0.00768033
-10.30118387 -9.94850925 -1.30907938
-0.00028640 -0.00006598 -0.00038532
-0.00478299 0.00244258 0.01378786
5.25745534 -15.62313619 -12.50074200
-0.00017843 -0.00109629 0.00001023
-0.00022199 -0.00102706 -0.01652869
2.80752493 -16.71569713 -11.83419809
-0.00020633 -0.00012631 0.00161082
-0.01587819 -0.00776469 0.00598332
4.94728999 -4.96669652 -4.62707464
0.00025997 0.00036935 0.00051730
-0.02235368 -0.00171042 0.00429892
5.04565045 -6.68628510 -2.53027891
0.00021889 0.00087333 -0.00067570
0.00928166 -0.01826730 0.02070355
16.74625883 2.60016587 24.11189949
-0.00037910 0.00009550 0.00038709
0.00471093 0.00258263 0.01070410
19.40756454 3.03654075 25.58975341
0.00014659 -0.00027550 -0.00014462
0.00105220 0.01877880 0.00400890
-9.63788719 0.99086827 1.48808442
-0.00027227 -0.00024449 0.00030563
0.00128390 -0.00466821 -0.00410649
-9.97000330 3.53753891 2.65298939
-0.00039894 -0.00120316 0.00037304
0.00971558 0.00500142 -0.00782051
-5.00886802 13.59269622 -8.64765150
0.00018713 -0.00024357 0.00056515
-0.00793641 0.00514481 -0.00578925
-7.67759979 12.37292641 -8.82225238
0.00040423 -0.00017258 -0.00003191
0.01490590 0.00492261 -0.01622026
1.11477089 11.84059029 -6.51809214
0.00124953 0.00036997 0.00059374
-0.00239846 0.00433526 -0.01846060
1.85081910 14.51349123 -6.22029399
-0.00015033 -0.00072070 0.00051271
0.00753205 -0.01326444 -0.02646591
-10.62794474 8.34056574 -12.92674580
-0.00059602 0.00106267 -0.00025459
0.00492042 -0.00292479 -0.00527350
-11.95254523 9.92035934 -10.96021344
0.00026995 0.00028023 0.00074793
0.00684954 0.00712473 -0.00964096
7.71569298 5.25754804 13.18496818
0.00052794 0.00069728 0.00011976
-0.01321140 -0.00754272 0.00620851
9.69341328 3.92768024 14.48069304
-0.00034830 0.00031693 -0.00037008
0.00750780 -0.00691612 0.00426844
-14.12319318 10.58986830 -7.12197719
-0.00036088 0.00119025 0.00029799
-0.01215919 0.00201472 -0.01799812
-16.95683315 10.84553686 -7.95637943
-0.00032350 0.00007530 0.00011366
0.00506697 -0.00068815 -0.00005356
9.18956593 9.37881167 -2.16286874
0.00034093 -0.00088026 -0.00009752
-0.01122777 -0.01955008 -0.02523877
7.83707509 8.04230088 -4.59146401
-0.00094280 -0.00049998 -0.00109723
-0.00823423 0.01031630 -0.00826020
14.46623119 -19.05570911 -27.43184005
0.00006510 0.00045411 0.00009132
0.00442533 0.01897696 -0.01110855
13.37105080 -20.34290475 -25.12825458
0.00025756 0.00017863 -0.00042527
0.00735935 -0.00151343 -0.00549010
5.05135700 5.26428132 2.20002707
-0.00091894 -0.00088428 0.00021146
0.00799450 -0.02962957 0.00231465
5.72052251 7.02561899 -0.04036276
-0.00061529 0.00042470 -0.00068364
0.01141287 -0.00471695 -0.02301814
19.88989941 -6.53066593 -6.75367173
0.00058142 0.00169120 -0.00030161
-0.02479379 0.01181692 -0.01706364
17.41914723 -5.09405995 -6.15872858
-0.00018860 -0.00024874 -0.00077977
-0.01512757 0.00949195 0.00619325
-2.64138219 -0.77525408 -0.97770362
0.00041338 -0.00062110 -0.00032306
0.00532922 -0.00767600 -0.00732694
-2.09818900 -1.36878119 -3.82633654
0.00014601 -0.00119466 0.00047768
-0.00004142 -0.00716188 0.01648911
4.05054104 -3.48912005 -12.21784138
0.00010169 -0.00005088 -0.00052423
-0.02815986 0.02358992 0.00206357
1.06639265 -2.75040847 -11.78523187
0.00027112 -0.00000723 -0.00016739
-0.00025574 -0.00510579 0.00230633
19.68781600 8.41617315 -7.77065874
0.00043234 0.00083074 0.00031143
-0.00012426 -0.00764668 -0.01464205
20.81618056 8.39282110 -5.19057837
-0.00031882 -0.00016402 -0.00054543
0.02553759 -0.01866806 0.01769605
-7.04800970 4.06524668 9.02712076
0.00032545 -0.00147175 -0.00070052
0.00602785 -0.03040524 0.00865429
-7.39786912 6.66040187 10.49653698
0.00105224 -0.00025221 -0.00063095
0.00166495 -0.01093917 -0.00537816
-2.23803065 -17.82850024 11.62056851
0.00052927 -0.00038377 0.00014418
-0.00202385 -0.00125546 -0.00707153
-2.81210242 -15.36311727 10.01627938
0.00012193 -0.00076098 -0.00020781
0.00377933 -0.00854554 0.01143173
8.46866148 -0.69843101 -2.84761012
0.00017841 0.00018951 0.00001908
-0.01750943 0.01614385 -0.03970287
7.53307802 1.21596998 -5.30688289
-0.00019869 -0.00021184 0.00030189
0.00952497 0.00978202 0.00284457
0.37782038 -11.84069012 1.86364681
-0.00031923 -0.00003177 -0.00023723
0.00069034 -0.00024153 0.00099490
-0.89062350 -10.55934736 -0.38729775
-0.00003663 -0.00025944 0.00044388
-0.00671389 -0.00196808 0.00607143
-19.63798398 -1.63143166 6.95527737
0.00046233 0.00042182 0.00016707
-0.00015057 0.01959602 -0.02047270
-21.23547575 0.47695974 5.82814790
0.00023717 -0.00066087 0.00047892
-0.00028903 0.00390194 -0.00507666
-4.87982972 8.19126327 -26.28749182
-0.00040944 -0.00047250 0.00054334
-0.03176057 -0.00200234 0.01632199
-5.47143649 7.41139489 -23.57768384
0.00091394 0.00089174 -0.00192217
0.00025914 -0.00370471 0.01483198
4.20962118 1.69091191 -2.55245916
-0.00079732 0.00005233 0.00071310
0.01118919 -0.00656952 -0.00339344
1.96682873 0.20190538 -1.37256745
0.00102190 -0.00013093 -0.00010775
0.00507991 0.02866853 -0.01239236
14.85782147 7.35154623 5.79720685
0.00019652 0.00038031 0.00033696
0.00488693 0.02032712 -0.01629989
15.74274315 9.90130089 4.11965736
-0.00004679 0.00066105 -0.00020140
-0.01877228 -0.03151927 0.00947851
1.50734940 -11.77372354 -13.86811531
0.00012966 0.00002281 -0.00015710
0.00369598 0.00601721 0.00189628
-13.56328532 14.60781687 22.72560430
-0.00000678 0.00013982 0.00015823
-0.00315245 -0.00210198 -0.00091903
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02499861
0.35288282
470.19865972
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1284802596
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3250147163 (a.u.)
total exchange computation time: 2.5517079830 s
-153.9920749144
-931.37391936
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1284802596
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3248937264 (a.u.)
total exchange computation time: 2.5507218838 s
-153.9939765280
Anderson extrapolation: theta=1.3565824964 (1.3565824964)
-931.37415056
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1284802596
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3246168487 (a.u.)
total exchange computation time: 2.5517899990 s
-153.9975160573
Anderson extrapolation: theta=0.0527455428 (0.0527455428)
-931.37428950
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1284802596
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3245114148 (a.u.)
total exchange computation time: 2.5537059307 s
-153.9985060215
Anderson extrapolation: theta=1.9290333115 (1.9290333115)
-931.37429465
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1284802596
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3242783985 (a.u.)
total exchange computation time: 2.5513598919 s
-154.0006118360
Anderson extrapolation: theta=0.2161960531 (0.2161960531)
-931.37429985
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1284802596
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3242182206 (a.u.)
total exchange computation time: 2.5527219772 s
-154.0010976261
Anderson extrapolation: theta=1.8805717760 (1.8805717760)
-931.37430077
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1284802596
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3241250129 (a.u.)
total exchange computation time: 2.5526978970 s
-154.0018009359
Anderson extrapolation: theta=0.2838865230 (0.2838865230)
-931.37430182
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1284802596
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3241191136 (a.u.)
total exchange computation time: 2.5497050285 s
-154.0017972811
Anderson extrapolation: theta=1.3306513238 (1.3306513238)
-931.37430205
-22.660356 -171.677725 -243.828805
-137.693070 458.051492 -804.405512
-160.353426 286.373767 -1048.234317
1098.416287
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1284802596
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3241264519 (a.u.)
total exchange computation time: 2.5493979454 s
678.27713637
-1082.64836477
89.73205003
-389.74292975
-174.66806761
77.67928629
551.60419304
0.00000000
-931.37430219
-9.23070840 -5.36415759 9.69652346
0.00002423 0.00018541 0.00019243
-0.01658902 -0.00333195 -0.02707577
-13.83233359 5.04843569 8.98751584
0.00014497 -0.00004002 -0.00019095
0.00159980 0.01300719 0.01035476
-15.78841455 1.58866495 2.95025247
-0.00003334 -0.00004613 -0.00011519
-0.02934304 -0.01069930 0.00717742
2.45728764 -19.69138783 13.30433083
-0.00001072 -0.00007283 0.00027571
-0.03206633 0.01377361 -0.03874703
9.71219699 20.80331058 0.49230730
0.00039553 -0.00007489 -0.00014917
-0.01773085 0.03250768 0.00286842
-11.13911691 12.75220801 15.18244444
-0.00017246 0.00004649 0.00001491
-0.01353391 0.02815268 -0.00504960
-6.02472346 1.17878521 -12.98088490
0.00002982 -0.00010708 0.00022794
-0.00097006 -0.04971574 0.02463758
-8.96229826 6.62491148 -6.84877949
0.00017548 0.00025220 0.00012495
-0.00011703 -0.00696643 -0.01919040
-7.53515433 -3.71959137 18.04262250
0.00031874 -0.00005036 0.00005098
0.00476921 0.03505740 0.01577003
-23.34984480 -7.56227114 -23.46317499
-0.00022115 0.00001928 -0.00028455
0.00293787 -0.00512233 -0.01002322
8.33977057 13.01692941 6.54508753
0.00043055 0.00041979 0.00004416
-0.00981231 -0.00729531 0.07349165
23.23583931 28.97957345 -3.18699268
-0.00038434 -0.00045051 0.00042216
-0.00307597 0.02141366 -0.01365691
9.30611144 -0.06335886 -14.61430376
0.00025823 0.00038197 -0.00000561
0.02678760 -0.00884229 -0.00799559
-9.03729517 -1.05578091 12.65956003
-0.00024572 -0.00007518 -0.00024274
0.01294099 -0.00966209 -0.03593103
-2.11827022 -25.92869916 10.48248828
-0.00004563 0.00004731 0.00017687
0.00118822 -0.00854587 0.02417519
-15.20079197 -4.14160382 -7.21554604
-0.00014121 0.00025586 -0.00002875
-0.00097036 -0.02988221 -0.01694700
-19.39779306 -10.98396277 -18.27451910
-0.00009268 0.00001493 0.00012112
-0.01001683 -0.05253155 0.01696654
21.27900347 5.31176086 4.65668359
-0.00045691 0.00041900 0.00002609
0.01104475 -0.05109270 0.00116387
19.20490676 -11.62865907 -13.35894483
0.00079595 0.00010647 0.00024690
0.02731325 -0.01921574 -0.05053717
-3.06856860 -0.28001674 -6.61183244
-0.00045817 -0.00016130 0.00020825
0.01211187 0.02205549 -0.00982394
-3.85622412 -3.17331274 -17.54863579
0.00034746 -0.00009083 -0.00009863
0.00757065 -0.01406485 -0.00234473
14.20149530 16.42555434 -21.25617233
0.00011980 -0.00008267 -0.00014245
0.02932832 0.00409495 0.00235871
-14.65975165 17.48415834 -13.29416335
0.00025503 0.00030909 -0.00028216
0.00272209 -0.00159770 0.03277981
1.52696958 15.08556737 8.05173387
-0.00025503 0.00006230 -0.00056669
-0.00443519 -0.00012362 -0.00321818
-4.46895325 -9.24551052 3.95203011
0.00025436 0.00010120 -0.00013130
0.00491151 -0.00400547 -0.02550167
2.12179484 -5.21453107 2.33716793
0.00006900 0.00024047 -0.00022012
0.00084302 0.06294146 -0.00749535
9.67853779 7.12468104 4.47891307
-0.00000988 0.00013732 -0.00014097
0.02660564 -0.02835257 0.02930142
-9.25061307 -10.17972148 -2.75040285
-0.00012462 -0.00034823 0.00036316
0.04572912 -0.01828627 0.00202131
3.49757869 -15.60101983 -13.08930265
-0.00015386 0.00010604 -0.00038739
0.00609127 0.00021291 0.01767537
3.76586399 -5.70934377 -3.31983531
0.00000352 -0.00004495 0.00048134
0.01052945 0.02185589 -0.02870952
18.41391547 1.94468834 24.54501181
-0.00003955 0.00004010 -0.00013408
-0.00882064 -0.03350145 -0.01977527
-8.82723376 2.63122087 1.51850661
-0.00012387 -0.00024583 -0.00000751
-0.01726444 -0.00221324 0.00676775
-6.12252884 12.72152533 -9.84155797
0.00047770 -0.00037681 0.00012563
-0.02113747 -0.01106164 0.01254636
1.62549189 13.24385289 -7.63004498
-0.00004648 0.00015911 -0.00002741
-0.00079860 0.00818483 0.04758830
-10.97200887 10.08240222 -12.52815743
-0.00038587 -0.00024689 -0.00001135
-0.01783605 0.00773422 0.02107920
7.88425249 4.05839075 14.59203342
-0.00022865 -0.00046370 0.00021221
0.00738140 0.01240010 -0.01265082
-15.50640040 9.71624434 -8.03030932
0.00037207 0.00034860 0.00052515
0.00736822 0.00741184 0.01189321
8.74262236 7.78877728 -3.05396591
-0.00027197 0.00003973 0.00006183
0.00774842 -0.00051765 0.02533745
14.17317627 -20.69989262 -26.75441295
-0.00002884 -0.00015844 0.00022737
-0.00953330 -0.00246634 0.01322850
5.04847114 6.93958111 1.61602232
0.00019699 -0.00029176 0.00039035
-0.01356604 0.03153794 0.01723052
18.30559679 -5.84801534 -7.56354936
-0.00026560 0.00002699 0.00011726
0.04743099 -0.01764621 0.01779969
-1.91010841 -2.07431429 -2.07464946
-0.00021056 -0.00002085 -0.00004636
0.00137155 0.00819368 0.00250066
2.76658973 -2.06219135 -12.02920098
-0.00000270 -0.00015225 -0.00000465
0.03361490 -0.01985985 -0.00479276
19.65098812 9.29542154 -6.18694333
0.00020381 -0.00029676 0.00022511
-0.02500155 0.02142600 -0.00127237
-7.56159191 5.77940025 8.89030158
-0.00031332 -0.00005966 -0.00035795
-0.00625223 0.03701998 -0.00607826
-1.81782203 -16.07667908 11.40901013
0.00019283 -0.00005767 -0.00013144
-0.00436390 0.01060698 -0.00145889
7.56950844 -0.45688050 -4.59879949
0.00007409 0.00008442 -0.00050674
0.01680328 -0.00706883 0.05867191
-0.98945374 -12.12294291 0.64610467
-0.00011810 -0.00021314 0.00010913
0.00073259 0.00172669 -0.00320283
-19.96284122 -0.69958941 5.27495599
-0.00010077 0.00052502 0.00007232
0.00332198 -0.02111360 0.02199258
-6.38784694 7.86785961 -25.07396909
-0.00031111 0.00024905 -0.00031877
0.03910355 0.01193619 -0.02326575
2.57766817 1.93536395 -1.81887532
-0.00049757 0.00012154 -0.00012995
-0.02032376 -0.02323061 0.01435512
14.76390036 8.24925195 4.12659000
-0.00033449 -0.00015690 0.00003726
0.01446024 0.01645693 0.00924708
-8.33080060 -6.80170428 10.29331494
0.00055333 -0.00078168 -0.00018209
0.01979181 -0.01364532 0.01968270
-10.08591864 -6.16838274 8.25535457
-0.00034381 0.00093081 0.00023307
-0.00016341 0.01498393 0.00972530
-13.11596397 6.11642179 7.67890743
0.00015485 -0.00026669 -0.00020784
-0.00301673 -0.00246008 -0.00670683
-13.90384206 3.40259316 8.23193912
0.00012411 -0.00081999 0.00046356
0.00488776 -0.01078887 0.00470465
-14.95070093 1.67867219 4.56200898
0.00101135 -0.00039886 0.00008083
0.01138456 0.00132475 0.00470684
-17.40752124 0.74157942 3.50279290
-0.00099964 -0.00034145 0.00063604
0.01577196 0.00878998 -0.00744346
2.90507248 -21.29279695 12.59604196
-0.00144070 0.00075311 0.00103023
0.00843157 -0.01093868 0.00366907
3.04162534 -19.38309173 14.92784151
-0.00003565 -0.00084839 -0.00109612
0.01836337 -0.00302810 0.03036300
9.20921313 19.08310183 0.64922407
0.00002430 0.00038885 -0.00175201
-0.00122808 -0.02550378 0.00051965
8.33134126 21.76086783 1.43151498
0.00095708 0.00070401 0.00048097
0.01754259 -0.00679598 -0.01048068
-10.53398289 12.38886420 16.93378854
0.00012394 -0.00147654 0.00044150
0.00307451 0.00464466 -0.00454612
-11.65130280 14.57678218 15.23279538
0.00040966 0.00107196 0.00066105
0.00820032 -0.03173638 -0.00167751
-5.94499991 -0.11821905 -14.27645048
-0.00034028 -0.00003787 -0.00012262
0.00463772 0.01200632 -0.00618163
-6.47965537 0.02162096 -11.48181532
-0.00069011 0.00008697 -0.00054280
-0.00000595 0.03630661 -0.01950286
-8.28994256 8.23994442 -6.39301719
0.00067944 0.00037827 -0.00046597
0.00489318 0.00420736 -0.00257539
-9.90474804 6.26745083 -5.36000062
0.00068993 0.00079888 -0.00017037
-0.01354392 0.00050998 0.01362279
-7.55800549 -1.78536490 18.09543127
-0.00023869 -0.00033985 -0.00018342
0.00109843 -0.04752715 -0.00284176
-7.35399709 -4.22998501 19.83409655
0.00055439 0.00031518 -0.00074793
-0.00316900 0.00433450 -0.01459973
-24.76473467 -6.46535254 -23.26795273
-0.00049342 0.00004566 -0.00030654
-0.00878330 0.00781387 -0.00126239
-21.92490767 -6.42543565 -23.41511375
0.00044318 -0.00171530 -0.00078535
0.00230000 0.00060243 -0.00034726
8.64961188 13.09149301 4.82956887
-0.00044419 0.00028565 0.00047781
0.01508082 -0.00572937 -0.04748234
9.21572402 11.65602744 7.57829797
0.00101166 -0.00050617 0.00044758
-0.00310819 0.01771824 -0.02567751
23.71549489 27.38760642 -2.49047557
0.00152008 0.00007802 -0.00025844
0.00056975 -0.01519709 0.00770973
23.12233307 30.20197298 -1.82746762
-0.00047439 -0.00081029 0.00015296
-0.00389169 -0.00580533 0.00569527
10.99757348 -0.88912470 -14.50207831
0.00069578 -0.00063443 0.00025150
-0.02612709 0.02058556 0.00006169
8.21052601 -1.52610193 -14.58110414
0.00035470 0.00029431 -0.00061378
-0.00278929 -0.00755351 0.00548664
-9.76622014 -0.86595842 14.29740678
0.00037851 -0.00076348 -0.00060953
-0.00722792 -0.01500125 0.00226199
-9.41088362 -2.59196414 11.58658358
0.00010446 -0.00093883 -0.00015514
-0.00389579 0.01778101 0.03539673
-3.02581547 -26.41320913 12.12839077
-0.00074159 -0.00014155 -0.00041397
0.01104052 0.00540276 -0.02668776
-3.27415037 -25.79542486 9.10147940
-0.00048426 0.00013530 0.00037566
-0.00722755 0.00088145 -0.00487851
-14.68417528 -2.62288370 -6.30564788
-0.00035428 0.00009854 -0.00023979
0.00275660 0.01165235 0.00462852
-16.16673420 -3.54913256 -8.62895397
0.00018539 -0.00055513 -0.00099479
-0.00408930 0.00054587 -0.00080366
-19.01022697 -9.38820778 -18.90684002
-0.00013845 -0.00130564 -0.00064141
0.01773749 0.03169151 -0.01592069
-18.23201641 -12.33117613 -18.85417539
0.00028591 0.00053365 -0.00059630
-0.00451710 0.01772821 -0.00248161
22.62731161 5.76214355 3.55179208
0.00040055 -0.00025272 0.00021758
-0.00157778 0.02062863 -0.00080326
20.28254954 6.53290374 5.44370821
-0.00042015 0.00006421 0.00056943
-0.00665832 0.03264325 0.00234578
18.28357435 -10.90822570 -12.08126817
0.00043819 0.00022544 0.00010286
-0.03370475 0.01795330 0.06472624
18.39347123 -10.69762510 -14.69507710
0.00054297 0.00035060 0.00002327
0.00344813 -0.00025841 -0.01895853
-2.02334805 1.15797502 -7.20324860
0.00141070 -0.00099602 0.00070680
-0.01367379 -0.01861969 0.00852760
-4.71752096 0.37365500 -6.13270572
-0.00026621 0.00015174 -0.00011586
0.00636315 0.00083697 -0.00283982
-2.85135536 -4.48506721 -18.37293104
-0.00065558 0.00036036 -0.00059014
-0.01048021 0.00674665 0.00801910
-3.63474394 -1.70013201 -18.60192904
0.00002630 0.00054913 -0.00013887
-0.00174651 0.01236000 -0.00206636
13.81596386 17.54947876 -19.86244448
0.00005996 0.00112047 -0.00037701
-0.00621875 -0.00668964 -0.00905409
12.70108781 15.74083289 -22.02928696
-0.00062424 0.00026323 0.00026068
-0.01450529 0.00183085 0.00944938
-13.77183033 17.17289921 -11.64674868
-0.00025583 -0.00013829 0.00043887
-0.01379375 0.00468300 -0.03024414
-14.68297367 15.83643065 -14.15892674
-0.00000393 0.00180062 -0.00010610
0.00359702 -0.00405266 -0.00117800
1.82672590 15.74129278 6.33748991
0.00119065 -0.00022380 -0.00029738
-0.01076313 -0.00251435 0.01935622
0.03555887 15.86028748 8.88595206
-0.00107282 0.00008031 0.00074192
0.01446846 -0.00099202 -0.01646663
-5.35658107 -8.17602839 2.65862484
0.00212413 0.00033836 -0.00051398
0.01029310 -0.01690882 0.01871889
-3.15811072 -10.27833387 3.03877923
-0.00057807 0.00014153 0.00056460
-0.01856129 0.01746984 0.00168779
1.29838706 -3.62689369 3.16421850
-0.00069692 -0.00062350 0.00058510
0.02761971 -0.03796060 -0.01899532
3.18463997 -4.38551932 0.95686928
-0.00039360 -0.00063408 0.00089770
-0.02169842 -0.02402976 0.03190967
8.34396526 7.80509379 3.59848765
-0.00089697 0.00020974 -0.00007506
-0.04119396 0.01683521 -0.02800952
11.19558445 7.92923900 3.93270502
-0.00001596 -0.00019014 -0.00086583
0.02155969 0.00950231 -0.00321334
-7.69822820 -11.30665887 -2.36851766
0.00048512 0.00017716 -0.00006909
-0.04011423 0.01328680 -0.00713372
-10.30562643 -9.94942413 -1.31443663
-0.00030957 -0.00005541 -0.00032215
-0.00655677 0.00273129 0.01713207
5.25477212 -15.63961197 -12.50109508
-0.00017896 -0.00109891 -0.00005934
-0.00003637 -0.00025761 -0.01752276
2.80394340 -16.71782976 -11.80985243
-0.00026345 -0.00014298 0.00161765
-0.01208222 -0.00039224 -0.00263982
4.95050451 -4.96120861 -4.61918336
0.00016525 0.00036215 0.00053526
-0.02401228 -0.00181609 0.00449043
5.04921817 -6.67374490 -2.53977995
0.00026649 0.00078961 -0.00058300
0.01401812 -0.02271236 0.02467034
16.74071671 2.60167753 24.11803380
-0.00035735 0.00010512 0.00043120
0.00593406 0.00212722 0.01089150
19.40979563 3.03298373 25.58770700
0.00015134 -0.00019769 -0.00012734
0.00127433 0.01930959 0.00444903
-9.64193186 0.98705786 1.49254297
-0.00026526 -0.00026385 0.00028724
0.00214600 -0.00480902 -0.00489359
-9.97568971 3.51964474 2.65834531
-0.00035924 -0.00117989 0.00034196
0.00971962 0.00638808 -0.00739043
-5.00630425 13.58920031 -8.63935170
0.00015429 -0.00022342 0.00053980
-0.00814075 0.00471861 -0.00662012
-7.67107964 12.37048859 -8.82322814
0.00046372 -0.00015305 -0.00009772
0.01421791 0.00463597 -0.01599248
1.13344040 11.84627274 -6.50975179
0.00123801 0.00038358 0.00051805
-0.00324439 0.00232566 -0.01858638
1.84879498 14.50227426 -6.21341437
-0.00011859 -0.00076983 0.00040512
0.00800323 -0.01078274 -0.02619878
-10.63673429 8.35641623 -12.93072631
-0.00057242 0.00103119 -0.00027999
0.00663472 -0.01248483 -0.00715799
-11.94828611 9.92478116 -10.94928989
0.00029964 0.00030871 0.00070506
0.00768448 0.00681637 -0.01134354
7.72320721 5.26777604 13.18695489
0.00047272 0.00066019 0.00015236
-0.01381694 -0.01061316 0.00974520
9.68841886 3.93222233 14.47527266
-0.00031441 0.00028667 -0.00035105
0.00908177 -0.00789689 0.00504846
-14.12897891 10.60778380 -7.11805878
-0.00040691 0.00119981 0.00022641
-0.01037708 0.00266221 -0.01704288
-16.96153035 10.84664530 -7.95467621
-0.00029875 0.00006909 0.00011296
0.00704849 -0.00235455 -0.00028673
9.19433581 9.36500875 -2.16510494
0.00029639 -0.00095052 -0.00019693
-0.01057537 -0.01484315 -0.02342155
7.82268076 8.03511737 -4.60817559
-0.00096547 -0.00045915 -0.00111312
-0.00286157 0.00966816 0.00048375
14.46734327 -19.04831597 -27.43081061
0.00008154 0.00052104 0.00004938
0.00362461 0.01378498 -0.00942201
13.37513967 -20.34027165 -25.13480180
0.00028327 0.00017330 -0.00043890
0.00522590 -0.00109880 -0.00118322
5.03781781 5.25010912 2.20326997
-0.00088553 -0.00099617 0.00021615
0.00836295 -0.02513745 -0.00002173
5.71164285 7.03184499 -0.05132264
-0.00057358 0.00040324 -0.00076480
0.00900368 -0.00578936 -0.01671391
19.89786093 -6.50493582 -6.75871875
0.00048001 0.00173801 -0.00037028
-0.02484645 0.01109859 -0.01655240
17.41585473 -5.09750025 -6.17023534
-0.00025617 -0.00020481 -0.00074452
-0.01795041 0.01201271 0.01106271
-2.63501816 -0.78480578 -0.98277401
0.00043011 -0.00064340 -0.00034672
0.00285890 -0.00324197 -0.00425630
-2.09600010 -1.38692059 -3.81866613
0.00014382 -0.00121875 0.00053586
-0.00103341 -0.00462857 0.01199407
4.05120350 -3.48916034 -12.22564153
-0.00001369 0.00004522 -0.00051532
-0.02832090 0.02345003 0.00229460
1.07045162 -2.75067345 -11.78767210
0.00026660 -0.00002999 -0.00015757
-0.00195702 -0.00603363 0.00250302
19.69429727 8.42839996 -7.76643598
0.00043150 0.00079543 0.00024322
-0.00028548 -0.00963914 -0.01874529
20.81218079 8.38978881 -5.19821754
-0.00020581 -0.00024684 -0.00046537
0.02978345 -0.02187560 0.02149235
-7.04294319 4.04223871 9.01687811
0.00034337 -0.00157238 -0.00066679
0.00274202 -0.01885138 0.00785980
-7.38203455 6.65628350 10.48690793
0.00105895 -0.00029528 -0.00064987
0.00162137 -0.01014384 -0.00388336
-2.23015355 -17.83429525 11.62251457
0.00052205 -0.00038463 0.00011514
-0.00151311 0.00083191 -0.00714379
-2.81015772 -15.37479387 10.01351261
0.00013618 -0.00079453 -0.00016300
0.00319648 -0.00787467 0.01050129
8.47080109 -0.69509367 -2.84854055
0.00010517 0.00025540 -0.00014635
-0.01834250 0.01611086 -0.04127403
7.53038957 1.21309220 -5.30226742
-0.00016006 -0.00016363 0.00030971
0.00938160 0.01381566 0.00098464
0.37305309 -11.84117414 1.86011887
-0.00031334 -0.00003326 -0.00022943
0.00219034 -0.00048678 0.00282378
-0.89137869 -10.56329920 -0.38045353
-0.00006475 -0.00026541 0.00046619
-0.00705235 -0.00095886 0.00485157
-19.63105367 -1.62450392 6.95715614
0.00046158 0.00050191 0.00008201
-0.00021689 0.01961096 -0.02116863
-21.23192705 0.46716632 5.83517614
0.00022577 -0.00063494 0.00046169
-0.00528994 0.00878962 -0.00335885
-4.88694455 8.18411448 -26.27884151
-0.00053617 -0.00047824 0.00060170
-0.03027390 -0.00080770 0.01224370
-5.45771944 7.42465747 -23.60606192
0.00091978 0.00087207 -0.00184621
0.00260065 -0.00592290 0.02235216
4.19800425 1.69149549 -2.54186659
-0.00074128 0.00002646 0.00069464
0.01624215 -0.00609285 -0.00564602
1.98231294 0.20081999 -1.37456351
0.00103853 -0.00001652 -0.00015630
0.00305796 0.02733366 -0.01137053
14.86091895 7.35787373 5.80176171
0.00021557 0.00046226 0.00027054
0.00444144 0.01979117 -0.01621330
15.74146603 9.91025078 4.11692688
-0.00012810 0.00052476 -0.00016303
-0.02102970 -0.03519539 0.00930242
1.50930422 -11.77336520 -13.87046675
0.00013102 0.00002498 -0.00015644
0.00388380 0.00609416 0.00178320
-13.56339248 14.60991053 22.72797618
-0.00000751 0.00013935 0.00015798
-0.00318322 -0.00197684 -0.00122388
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02496939
0.34933280
465.46843928
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1285235262
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3313753924 (a.u.)
total exchange computation time: 2.5281500816 s
-154.0173154057
-931.36915501
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1285235262
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3312138293 (a.u.)
total exchange computation time: 2.5236990452 s
-154.0197323136
Anderson extrapolation: theta=1.3773325365 (1.3773325365)
-931.36939837
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1285235262
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3309054086 (a.u.)
total exchange computation time: 2.5229930878 s
-154.0239060198
Anderson extrapolation: theta=0.0621051962 (0.0621051962)
-931.36955025
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1285235262
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3308195891 (a.u.)
total exchange computation time: 2.5272338390 s
-154.0248617129
Anderson extrapolation: theta=2.2146562690 (2.0000000000)
-931.36955785
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1285235262
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3306354487 (a.u.)
total exchange computation time: 2.5259008408 s
-154.0268716006
Anderson extrapolation: theta=0.3606630341 (0.3606630341)
-931.36956740
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1285235262
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3305793754 (a.u.)
total exchange computation time: 2.5236861706 s
-154.0274774722
Anderson extrapolation: theta=1.2725691962 (1.2725691962)
-931.36956988
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1285235262
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3305386967 (a.u.)
total exchange computation time: 2.5258619785 s
-154.0279416260
Anderson extrapolation: theta=0.4604440994 (0.4604440994)
-931.36957201
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1285235262
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3305499728 (a.u.)
total exchange computation time: 2.5237839222 s
-154.0278621798
Anderson extrapolation: theta=0.8981897796 (0.8981897796)
-931.36957270
-22.652214 -171.713140 -243.791081
-137.673091 458.022812 -804.435453
-160.325305 286.309673 -1048.226534
1098.388045
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545058140
ExchangeOperator: pair fraction: ispin=0: 0.1285235262
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3305811651 (a.u.)
total exchange computation time: 2.5238890648 s
678.38440595
-1082.87177454
89.72391957
-389.58933094
-174.68621193
77.80427711
551.60419304
0.00000000
-931.36957305
-9.23040888 -5.36138930 9.69930549
0.00001693 0.00018234 0.00017953
-0.01179957 -0.00859722 -0.02308863
-13.83015289 5.04788563 8.98469147
0.00014554 -0.00003430 -0.00018566
0.00064127 0.00923583 0.01021605
-15.78902778 1.58793178 2.94855235
-0.00004896 -0.00005218 -0.00011007
-0.03140132 -0.01283947 0.01271855
2.45700320 -19.69242716 13.30831707
-0.00002902 -0.00006387 0.00025376
-0.03909721 0.02106987 -0.04660530
9.71806160 20.80231255 0.49008087
0.00038668 -0.00005698 -0.00014765
-0.01668313 0.03715143 0.00304673
-11.14175601 12.75301403 15.18264858
-0.00017931 0.00006173 0.00001321
-0.01310735 0.03109656 -0.00154144
-6.02427986 1.17698729 -12.97737084
0.00002944 -0.00013246 0.00023968
-0.00051742 -0.04897646 0.02101981
-8.95966653 6.62866760 -6.84697921
0.00017630 0.00024931 0.00011413
0.00329460 -0.00426900 -0.02288997
-7.53035478 -3.72021159 18.04344799
0.00032098 -0.00003238 0.00005767
0.00391013 0.03487048 0.01024216
-23.35315077 -7.56200175 -23.46748196
-0.00022094 0.00001583 -0.00028969
-0.00209906 -0.00827988 -0.00993831
8.34619092 13.02319816 6.54603336
0.00042601 0.00041509 0.00008390
-0.00781074 -0.01099446 0.08107396
23.23006235 28.97289846 -3.18071303
-0.00038596 -0.00043974 0.00041441
-0.00322225 0.02043794 -0.01648083
9.31008815 -0.05766343 -14.61441871
0.00027309 0.00037668 -0.00000967
0.03101512 -0.01171768 -0.00780408
-9.04093098 -1.05694587 12.65578036
-0.00023874 -0.00008092 -0.00026286
0.01417107 -0.01265727 -0.04230323
-2.11895008 -25.92802247 10.48523457
-0.00004544 0.00004287 0.00018885
-0.00046197 -0.00872739 0.02243060
-15.20291384 -4.13788117 -7.21604272
-0.00014218 0.00024010 -0.00003822
-0.00281835 -0.03142069 -0.01986300
-19.39922191 -10.98394147 -18.27263688
-0.00009788 -0.00001395 0.00013035
-0.01018936 -0.05975084 0.01894027
21.27219239 5.31784877 4.65707950
-0.00045079 0.00039271 0.00002619
0.01275063 -0.05111962 -0.00080625
19.21695143 -11.62713620 -13.35543628
0.00080920 0.00009736 0.00022084
0.02420407 -0.01619489 -0.05079026
-3.07539438 -0.28235112 -6.60874662
-0.00045124 -0.00015011 0.00020295
0.01483908 0.02144018 -0.01076080
-3.85098301 -3.17472948 -17.55012430
0.00035078 -0.00009631 -0.00009986
0.00531673 -0.00725192 -0.00243741
14.20340545 16.42433005 -21.25830002
0.00013405 -0.00008007 -0.00014068
0.02609389 0.00603253 0.00452277
-14.65591569 17.48878859 -13.29826926
0.00025666 0.00031033 -0.00026364
0.00363205 0.00641826 0.03921618
1.52312702 15.08650145 8.04322118
-0.00025852 0.00006256 -0.00056695
-0.00912221 0.00111488 0.00218746
-4.46511891 -9.24400793 3.94996220
0.00025640 0.00009950 -0.00014350
0.00301910 -0.00262984 -0.02191314
2.12283307 -5.21068125 2.33383721
0.00006820 0.00027156 -0.00022226
-0.00393940 0.05796264 -0.00084301
9.67849224 7.12663140 4.47691152
0.00000242 0.00012359 -0.00012694
0.02123632 -0.02500747 0.02528026
-9.25230604 -10.18501540 -2.74494760
-0.00010066 -0.00035764 0.00036321
0.04746765 -0.01834316 -0.00185071
3.49529427 -15.59942841 -13.09504525
-0.00015162 0.00010419 -0.00037598
0.00261035 -0.00739280 0.02669749
3.76595743 -5.70993368 -3.31272598
0.00000819 -0.00003279 0.00046567
0.00761578 0.02541994 -0.03219990
18.41328827 1.94516062 24.54292437
-0.00004434 0.00002292 -0.00014427
-0.00982408 -0.03332168 -0.01987346
-8.82915846 2.62752494 1.51842000
-0.00013289 -0.00024728 -0.00000398
-0.01779862 -0.00345902 0.00698344
-6.11544490 12.71583055 -9.83962518
0.00046713 -0.00038227 0.00013213
-0.01994905 -0.01019729 0.01274330
1.62479162 13.24627104 -7.63027262
-0.00004678 0.00016316 -0.00000315
-0.00037677 0.00759872 0.04675481
-10.97786577 10.07872876 -12.52824640
-0.00039564 -0.00024029 0.00000032
-0.02013575 0.01793256 0.02429570
7.88085119 4.05148314 14.59516785
-0.00022496 -0.00045628 0.00020468
0.00695619 0.01642184 -0.01666603
-15.50079097 9.72150197 -8.02238626
0.00037488 0.00035254 0.00053105
0.00355463 0.00790806 0.01108011
8.73857265 7.78937129 -3.05294070
-0.00026959 0.00003822 0.00007210
0.00152020 -0.00536888 0.01459300
14.17270682 -20.70227872 -26.75095141
-0.00003295 -0.00015843 0.00023249
-0.00644898 0.00250420 0.00668515
5.05137361 6.93532642 1.62194409
0.00019060 -0.00027653 0.00039807
-0.01128291 0.02769023 0.01278422
18.30179582 -5.84767856 -7.56172175
-0.00024069 0.00001752 0.00012506
0.04943585 -0.01916514 0.01251416
-1.91326153 -2.07459549 -2.07533521
-0.00020900 -0.00001855 -0.00004460
0.00468505 0.00076026 0.00432841
2.76667895 -2.06455167 -12.02928928
0.00001491 -0.00016208 -0.00000723
0.03485313 -0.01837060 -0.00523880
19.65394881 9.29105279 -6.18357155
0.00019013 -0.00028458 0.00022456
-0.02818476 0.02593888 -0.00087589
-7.56631589 5.77864815 8.88490893
-0.00031569 -0.00004374 -0.00036131
-0.00294735 0.02487880 -0.00700128
-1.81494642 -16.07750326 11.40703295
0.00019065 -0.00005299 -0.00013183
-0.00410804 0.00759905 -0.00007664
7.57068464 -0.45564146 -4.60617432
0.00008293 0.00007993 -0.00047577
0.01757364 -0.01040213 0.06175280
-0.99122237 -12.12613337 0.64772921
-0.00011805 -0.00021250 0.00010726
-0.00053405 0.00075506 -0.00404366
-19.96434002 -0.69179561 5.27612569
-0.00009777 0.00051298 0.00008328
0.00835919 -0.02568398 0.02062527
-6.39236276 7.87164143 -25.07884034
-0.00029205 0.00025530 -0.00033123
0.03502220 0.01236546 -0.02520128
2.57012619 1.93709744 -1.82076918
-0.00050851 0.00010994 -0.00012236
-0.02220360 -0.02188752 0.01515717
14.75893873 8.24696188 4.12718461
-0.00032650 -0.00014750 0.00004192
0.01661314 0.02012374 0.00885005
-8.32189421 -6.81384757 10.29118678
0.00062561 -0.00082479 -0.00010771
0.01559303 -0.00745879 0.01672442
-10.09108083 -6.15396144 8.25914861
-0.00034565 0.00098988 0.00027063
-0.00073462 0.01393214 0.00865934
-13.11373359 6.11234601 7.67558437
0.00014325 -0.00027649 -0.00023702
-0.00266502 -0.00233611 -0.00757686
-13.90183070 3.38996273 8.23903662
0.00014495 -0.00085651 0.00048514
0.00531620 -0.00708842 0.00586120
-14.93518182 1.67272992 4.56336561
0.00105180 -0.00039391 0.00009136
0.00841490 0.00109864 0.00044827
-17.42203260 0.73672702 3.51210534
-0.00092484 -0.00030070 0.00060340
0.02084673 0.01115557 -0.00853335
2.88372031 -21.28183546 12.61160777
-0.00140086 0.00068826 0.00103514
0.01107342 -0.02080471 -0.00126448
3.04165325 -19.39591031 14.91233005
0.00004859 -0.00085519 -0.00094591
0.02287545 -0.00030020 0.04317008
9.20954003 19.08815303 0.62295978
0.00001619 0.00027853 -0.00174837
-0.00274322 -0.02849573 0.00126598
8.34623504 21.77121972 1.43840840
0.00102860 0.00067286 0.00043635
0.01746414 -0.00845286 -0.01136088
-10.53202957 12.36685841 16.94027166
0.00013381 -0.00145375 0.00041606
0.00175456 0.00651362 -0.00790615
-11.64490668 14.59188912 15.24265972
0.00044559 0.00093276 0.00065486
0.00938860 -0.03640213 -0.00135033
-5.94996197 -0.11841915 -14.27847915
-0.00032125 0.00001327 -0.00014637
0.00467865 0.01302508 -0.00544619
-6.49000720 0.02403800 -11.49055494
-0.00069109 0.00023198 -0.00061653
-0.00047355 0.03467985 -0.01658848
-8.27960109 8.24574743 -6.40008560
0.00069860 0.00039228 -0.00047747
0.00449008 0.00264764 -0.00305771
-9.89481413 6.27944970 -5.36213878
0.00062963 0.00079920 -0.00010653
-0.01597529 -0.00035525 0.01762865
-7.56155216 -1.79191895 18.09259282
-0.00023381 -0.00052978 -0.00019488
0.00128968 -0.04544722 -0.00276791
-7.34577830 -4.22512456 19.82243017
0.00054221 0.00032922 -0.00079642
-0.00279446 0.00253947 -0.00913631
-24.77240513 -6.46442817 -23.27258958
-0.00052328 0.00007657 -0.00031226
-0.00583532 0.00731803 -0.00153748
-21.91818950 -6.45114662 -23.42690465
0.00045726 -0.00170531 -0.00078621
0.00459181 0.00428748 -0.00007330
8.64341111 13.09560222 4.83528105
-0.00038114 0.00026195 0.00027418
0.01578209 -0.00587514 -0.05219589
9.23080361 11.64897782 7.58422479
0.00099389 -0.00042628 0.00033736
-0.00558673 0.02138839 -0.02827547
23.73831357 27.38831108 -2.49411587
0.00152278 0.00001395 -0.00022592
0.00075356 -0.01616893 0.00820734
23.11509801 30.18964067 -1.82499877
-0.00049054 -0.00082960 0.00018109
-0.00401723 -0.00364349 0.00807786
11.00720956 -0.89801035 -14.49830396
0.00058092 -0.00054520 0.00025114
-0.03009842 0.02309558 -0.00023888
8.21576107 -1.52191867 -14.59014265
0.00034271 0.00026397 -0.00059120
-0.00308306 -0.00730185 0.00556206
-9.76076402 -0.87787034 14.28833316
0.00034484 -0.00082321 -0.00058979
-0.00925138 -0.01423747 0.00739970
-9.40943604 -2.60550172 11.58534120
0.00009005 -0.00086174 -0.00000830
-0.00315738 0.01995404 0.03648035
-3.03660101 -26.41516678 12.12136336
-0.00069565 -0.00011948 -0.00052037
0.01144558 0.00539736 -0.02539355
-3.28163573 -25.79336839 9.10696477
-0.00051114 0.00013893 0.00035653
-0.00592935 0.00089792 -0.00448536
-14.68940497 -2.62104859 -6.30910283
-0.00034238 0.00014962 -0.00022037
0.00306922 0.01335492 0.00487436
-16.16407873 -3.55744280 -8.64390040
0.00017163 -0.00055375 -0.00099298
-0.00264357 0.00012863 0.00168766
-19.01176016 -9.40682125 -18.91694908
-0.00006366 -0.00115973 -0.00071216
0.01887250 0.03973055 -0.01870944
-18.22786620 -12.32262819 -18.86319599
0.00026555 0.00060419 -0.00060454
-0.00544754 0.01680470 -0.00155041
22.63327147 5.75898495 3.55503119
0.00038919 -0.00016881 0.00021888
-0.00397920 0.02044268 0.00143791
20.27604328 6.53486724 5.45232155
-0.00044588 0.00019765 0.00057843
-0.00593890 0.03267299 0.00206178
18.28911435 -10.90429402 -12.07774182
0.00030356 0.00029595 0.00036264
-0.03219455 0.01656574 0.06243874
18.40172144 -10.69237395 -14.69530906
0.00056020 0.00034617 -0.00004928
0.00498627 -0.00191429 -0.01655233
-2.00260650 1.14246413 -7.19238531
0.00135044 -0.00107278 0.00074254
-0.01582486 -0.01895179 0.00896594
-4.72131907 0.37595674 -6.13453059
-0.00024110 0.00015744 -0.00012702
0.00592886 0.00195158 -0.00262598
-2.86151014 -4.47945512 -18.38153740
-0.00069265 0.00038084 -0.00056168
-0.00766937 0.00328189 0.00591269
-3.63440297 -1.69151624 -18.60407548
0.00001819 0.00059326 -0.00014287
-0.00222250 0.00924098 0.00011008
13.81667267 17.56608081 -19.86837705
0.00003691 0.00108769 -0.00042005
-0.00506330 -0.00935465 -0.01201469
12.69127980 15.74483743 -22.02508726
-0.00067903 0.00027232 0.00030085
-0.01231598 0.00261964 0.01021522
-13.77609051 17.17096839 -11.64109235
-0.00031388 -0.00011847 0.00031068
-0.01462033 0.00501841 -0.03250968
-14.68292235 15.86331570 -14.16055430
0.00001051 0.00176702 -0.00011903
0.00346826 -0.01239206 -0.00515215
1.84425588 15.73785878 6.33362231
0.00114432 -0.00023193 -0.00021994
-0.01191607 -0.00146768 0.01855011
0.01990990 15.86146176 8.89657628
-0.00100189 0.00007191 0.00066533
0.02025541 -0.00311838 -0.02102324
-5.32440377 -8.17147107 2.65148879
0.00216104 0.00027282 -0.00044016
0.00777820 -0.01517699 0.01741657
-3.16735047 -10.27567562 3.04730000
-0.00064511 0.00020637 0.00056732
-0.01425922 0.01426879 -0.00035854
1.28877961 -3.63740945 3.17241299
-0.00058295 -0.00077701 0.00050538
0.02816910 -0.03718439 -0.02003104
3.17807102 -4.39576682 0.97131253
-0.00047374 -0.00072348 0.00101647
-0.01752912 -0.01973346 0.02623157
8.32924838 7.80875579 3.59650342
-0.00105230 0.00027182 -0.00018122
-0.03484280 0.01355211 -0.02395729
11.19600571 7.92667806 3.91961914
0.00007010 -0.00015195 -0.00087857
0.02056728 0.00919215 -0.00302657
-7.69218057 -11.30359435 -2.36977256
0.00031980 0.00023120 -0.00009677
-0.04081127 0.01316503 -0.00641953
-10.31047084 -9.95017161 -1.31874392
-0.00033923 -0.00004378 -0.00024653
-0.00796493 0.00296241 0.01988737
5.25208668 -15.65610355 -12.50252207
-0.00017863 -0.00109855 -0.00013274
0.00019639 0.00043249 -0.01841000
2.79962141 -16.71998643 -11.78566855
-0.00030565 -0.00013083 0.00159022
-0.00857446 0.00633879 -0.01078689
4.95224742 -4.95583200 -4.61101688
0.00006452 0.00035477 0.00055346
-0.02529463 -0.00179532 0.00442069
5.05364500 -6.66259665 -2.54776905
0.00033207 0.00068919 -0.00047543
0.01808785 -0.02644730 0.02798835
16.73553827 2.60331956 24.12483561
-0.00033101 0.00011293 0.00047586
0.00695922 0.00169234 0.01096840
19.41210481 3.03061013 25.58593327
0.00015643 -0.00011853 -0.00010899
0.00121728 0.01943796 0.00453378
-9.64584502 0.98295272 1.49670162
-0.00025474 -0.00028359 0.00026569
0.00300402 -0.00485463 -0.00565357
-9.98078044 3.50214208 2.66324829
-0.00031987 -0.00115086 0.00031293
0.00954915 0.00782492 -0.00682218
-5.00423940 13.58599358 -8.63145763
0.00012089 -0.00020481 0.00051130
-0.00820839 0.00439137 -0.00732824
-7.66368813 12.36833489 -8.82518402
0.00051939 -0.00013504 -0.00016195
0.01303127 0.00418121 -0.01544557
1.15191106 11.85209772 -6.50255052
0.00122291 0.00038853 0.00044234
-0.00414714 0.00009816 -0.01847783
1.84726135 14.49039646 -6.20814036
-0.00008490 -0.00080796 0.00029971
0.00848798 -0.00788582 -0.02539898
-10.64511723 8.37150158 -12.93514551
-0.00054181 0.00096059 -0.00031318
0.00834864 -0.02207798 -0.00908647
-11.94355603 9.92962072 -10.93906155
0.00033228 0.00033576 0.00065587
0.00829319 0.00642094 -0.01273623
7.72987465 5.27735360 13.18953885
0.00041490 0.00061110 0.00019847
-0.01448554 -0.01341308 0.01282651
9.68398102 3.93628045 14.47016167
-0.00027556 0.00025216 -0.00032906
0.00993593 -0.00899930 0.00571586
-14.13540062 10.62586246 -7.11518487
-0.00044509 0.00121239 0.00015912
-0.00830891 0.00349860 -0.01589639
-16.96579557 10.84760944 -7.95299055
-0.00026627 0.00005632 0.00011134
0.00884878 -0.00389379 -0.00050948
9.19845756 9.35029616 -2.16877656
0.00025521 -0.00099994 -0.00028776
-0.00958242 -0.00935217 -0.02104315
7.80811106 8.02852638 -4.62485753
-0.00096670 -0.00042075 -0.00109412
0.00225742 0.00912813 0.00881349
14.46867749 -19.04007799 -27.43035861
0.00009456 0.00056615 0.00001466
0.00274888 0.00829865 -0.00757589
13.37954882 -20.33770590 -25.14142153
0.00030002 0.00016989 -0.00043439
0.00297659 -0.00056691 0.00338811
5.02479115 5.23439635 2.20651153
-0.00085026 -0.00108836 0.00021104
0.00890037 -0.01999221 -0.00248132
5.70331500 7.03771619 -0.06330686
-0.00054190 0.00037742 -0.00081925
0.00650722 -0.00684780 -0.00993706
19.90429971 -6.47852552 -6.76478020
0.00037965 0.00178144 -0.00043613
-0.02427973 0.01016141 -0.01567986
17.41146212 -5.10020433 -6.18106411
-0.00033471 -0.00015109 -0.00069026
-0.02049575 0.01428695 0.01549534
-2.62847892 -0.79455616 -0.98810525
0.00043641 -0.00064690 -0.00035721
0.00022460 0.00153077 -0.00087579
-2.09387452 -1.40534365 -3.81026065
0.00013752 -0.00123219 0.00057448
-0.00204680 -0.00195142 0.00690746
4.05013028 -3.48776346 -12.23330104
-0.00012859 0.00013954 -0.00050562
-0.02792095 0.02272001 0.00245472
1.07439066 -2.75130821 -11.78995894
0.00025545 -0.00005631 -0.00014701
-0.00350079 -0.00684949 0.00266639
19.70076105 8.44003602 -7.76336204
0.00043008 0.00075270 0.00015948
-0.00041164 -0.01127627 -0.02224863
20.81000634 8.38541584 -5.20453953
-0.00007739 -0.00034139 -0.00037159
0.03307837 -0.02440775 0.02441396
-7.03770864 4.01807542 9.00711716
0.00034800 -0.00162660 -0.00063618
-0.00047648 -0.00769434 0.00712401
-7.36610062 6.65154345 10.47704087
0.00106559 -0.00033480 -0.00066231
0.00163122 -0.00920228 -0.00220460
-2.22236919 -17.84003927 11.62402280
0.00051692 -0.00037701 0.00008589
-0.00099864 0.00289971 -0.00717765
-2.80801713 -15.38695308 10.01138942
0.00014764 -0.00082497 -0.00012262
0.00241492 -0.00702803 0.00926564
8.47181655 -0.69076897 -2.85200050
0.00002934 0.00032085 -0.00031666
-0.01877811 0.01592793 -0.04209612
7.52827608 1.21106113 -5.29759160
-0.00012210 -0.00009973 0.00031023
0.00920137 0.01746423 -0.00072960
0.36842003 -11.84168799 1.85676400
-0.00030142 -0.00003573 -0.00021424
0.00364487 -0.00072000 0.00460914
-0.89256609 -10.56730981 -0.37331197
-0.00009423 -0.00026708 0.00048338
-0.00737459 0.00014470 0.00355981
-19.62413665 -1.61637430 6.95773755
0.00046073 0.00058150 -0.00000507
-0.00019806 0.01934735 -0.02145748
-21.22870255 0.45791158 5.84199854
0.00019396 -0.00058925 0.00045156
-0.01028209 0.01357481 -0.00159659
-4.89591476 8.17691620 -26.26944084
-0.00065535 -0.00047891 0.00064222
-0.02806412 0.00047969 0.00759181
-5.44384301 7.43755707 -23.63307012
0.00093480 0.00084383 -0.00174084
0.00475257 -0.00790077 0.02922698
4.18738274 1.69170565 -2.53162005
-0.00066570 0.00000277 0.00066755
0.02075681 -0.00550369 -0.00761230
1.99798456 0.20140978 -1.37725643
0.00104641 0.00009087 -0.00020023
0.00079969 0.02523478 -0.01013610
14.86428863 7.36541416 5.80532292
0.00023279 0.00054143 0.00020534
0.00398559 0.01896317 -0.01569991
15.73890009 9.91704368 4.11476651
-0.00021758 0.00037526 -0.00012550
-0.02277086 -0.03798557 0.00907049
1.51127990 -11.77297415 -13.87280862
0.00013244 0.00002717 -0.00015582
0.00407129 0.00616668 0.00168340
-13.56351072 14.61199731 22.73034381
-0.00000825 0.00013890 0.00015767
-0.00320347 -0.00186586 -0.00150340
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02460576
0.34496729
459.65162443
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0544331395
ExchangeOperator: pair fraction: ispin=0: 0.1283071931
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3385242504 (a.u.)
total exchange computation time: 2.5925889015 s
-154.0415932547
-931.36383216
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0544331395
ExchangeOperator: pair fraction: ispin=0: 0.1283071931
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3382606852 (a.u.)
total exchange computation time: 2.5926578045 s
-154.0446927447
Anderson extrapolation: theta=1.3883609342 (1.3883609342)
-931.36408860
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0544331395
ExchangeOperator: pair fraction: ispin=0: 0.1283071931
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3377998803 (a.u.)
total exchange computation time: 2.5912661552 s
-154.0497918734
Anderson extrapolation: theta=0.0683905152 (0.0683905152)
-931.36425248
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0544331395
ExchangeOperator: pair fraction: ispin=0: 0.1283071931
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3376935986 (a.u.)
total exchange computation time: 2.5927569866 s
-154.0508028781
Anderson extrapolation: theta=2.3322432759 (2.0000000000)
-931.36426211
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0544331395
ExchangeOperator: pair fraction: ispin=0: 0.1283071931
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3374615370 (a.u.)
total exchange computation time: 2.5904748440 s
-154.0529180060
Anderson extrapolation: theta=0.4129517337 (0.4129517337)
-931.36427496
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0544331395
ExchangeOperator: pair fraction: ispin=0: 0.1283071931
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3373730506 (a.u.)
total exchange computation time: 2.5914280415 s
-154.0536494682
Anderson extrapolation: theta=0.9852323700 (0.9852323700)
-931.36427859
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0544331395
ExchangeOperator: pair fraction: ispin=0: 0.1283071931
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3373129818 (a.u.)
total exchange computation time: 2.5928490162 s
-154.0540725470
Anderson extrapolation: theta=0.5181269830 (0.5181269830)
-931.36428114
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0544331395
ExchangeOperator: pair fraction: ispin=0: 0.1283071931
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3373102076 (a.u.)
total exchange computation time: 2.5901229382 s
-154.0540052867
Anderson extrapolation: theta=0.7357400836 (0.7357400836)
-931.36428209
-22.644984 -171.743152 -243.757126
-137.654649 457.994921 -804.467568
-160.299633 286.251769 -1048.224694
1098.367451
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0544331395
ExchangeOperator: pair fraction: ispin=0: 0.1283071931
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3373295832 (a.u.)
total exchange computation time: 2.5929450989 s
678.49901935
-1083.11098777
89.71601384
-389.42543954
-174.70555880
77.93709785
551.60419304
0.00000000
-931.36428250
-9.23020040 -5.35868734 9.70190940
0.00001220 0.00017657 0.00016879
-0.00662338 -0.01384778 -0.01866839
-13.82796726 5.04740682 8.98194592
0.00014563 -0.00003055 -0.00018046
-0.00029681 0.00532349 0.01000327
-15.78988326 1.58709956 2.94695035
-0.00006541 -0.00005922 -0.00010216
-0.03257362 -0.01453042 0.01806076
2.45641714 -19.69330394 13.31194377
-0.00005072 -0.00005117 0.00022814
-0.04529642 0.02829955 -0.05304575
9.72379750 20.80160113 0.48787794
0.00037840 -0.00003706 -0.00014604
-0.01553933 0.04030535 0.00321391
-11.14449623 12.75405994 15.18284082
-0.00018587 0.00007821 0.00001328
-0.01239322 0.03297577 0.00181701
-6.02384026 1.17481154 -12.97369462
0.00002935 -0.00015722 0.00024941
0.00015803 -0.04732880 0.01682638
-8.95700939 6.63239078 -6.84535551
0.00017874 0.00024765 0.00010155
0.00619426 -0.00219282 -0.02603654
-7.52552506 -3.72056280 18.04435249
0.00032275 -0.00001476 0.00006136
0.00300185 0.03364891 0.00413858
-23.35647293 -7.56179624 -23.47186560
-0.00022333 0.00001087 -0.00029474
-0.00720547 -0.01100538 -0.00972984
8.35255101 13.02938209 6.54760466
0.00042254 0.00040869 0.00012667
-0.00568533 -0.01387297 0.08521102
23.22426054 28.96638115 -3.17456053
-0.00038758 -0.00042971 0.00040531
-0.00308312 0.01858247 -0.01888726
9.31430414 -0.05205841 -14.61459386
0.00028980 0.00036998 -0.00001365
0.03396642 -0.01434472 -0.00766479
-9.04445747 -1.05820847 12.65167432
-0.00023117 -0.00008801 -0.00028599
0.01526696 -0.01492974 -0.04764903
-2.11963351 -25.92741312 10.48815390
-0.00004609 0.00003839 0.00019974
-0.00206506 -0.00870549 0.01991378
-15.20505744 -4.13440092 -7.21669264
-0.00014407 0.00022367 -0.00004912
-0.00452414 -0.03245437 -0.02254058
-19.40072936 -10.98438113 -18.27060854
-0.00010310 -0.00004591 0.00014044
-0.01011465 -0.06454942 0.02029617
21.26547968 5.32354231 4.65746919
-0.00044397 0.00036670 0.00002541
0.01377021 -0.05005447 -0.00220272
19.22918283 -11.62573826 -13.35231956
0.00082041 0.00009014 0.00019525
0.01938204 -0.01189769 -0.04872802
-3.08210567 -0.28452010 -6.60574383
-0.00044296 -0.00013938 0.00019723
0.01732887 0.02028770 -0.01151417
-3.84570087 -3.17620217 -17.55163162
0.00035288 -0.00009817 -0.00010108
0.00286657 0.00004448 -0.00229923
14.20551690 16.42315229 -21.26039282
0.00014656 -0.00007654 -0.00013792
0.02253450 0.00767991 0.00622126
-14.65205172 17.49346836 -13.30207263
0.00025867 0.00031577 -0.00024200
0.00416477 0.01472800 0.04492929
1.51921408 15.08744413 8.03472536
-0.00026425 0.00006332 -0.00056445
-0.01315344 0.00182803 0.00752309
-4.46126128 -9.24252562 3.94772523
0.00025738 0.00009855 -0.00015364
0.00079463 -0.00106812 -0.01754197
2.12384090 -5.20638427 2.33049998
0.00006480 0.00029968 -0.00022077
-0.00929202 0.05138191 0.00664610
9.67861052 7.12838884 4.47510500
0.00001179 0.00011184 -0.00011522
0.01519076 -0.02069715 0.02026844
-9.25363281 -10.19045083 -2.73950663
-0.00007613 -0.00036694 0.00036140
0.04790875 -0.01779445 -0.00519015
3.49302998 -15.59789402 -13.10058190
-0.00015109 0.00009866 -0.00036014
-0.00055211 -0.01414414 0.03488828
3.76610962 -5.71032749 -3.30586506
0.00001150 -0.00001908 0.00044853
0.00525313 0.02791124 -0.03446761
18.41258527 1.94537583 24.54068361
-0.00004951 0.00000594 -0.00015439
-0.01028744 -0.03269579 -0.01946355
-8.83122048 2.62380232 1.51838726
-0.00014213 -0.00024941 -0.00000037
-0.01813276 -0.00480840 0.00704568
-6.10851485 12.71005710 -9.83759409
0.00045728 -0.00038727 0.00013862
-0.01835105 -0.00923930 0.01248063
1.62408846 13.24874781 -7.63013956
-0.00004686 0.00016686 0.00002045
0.00006386 0.00677217 0.04504128
-10.98387801 10.07519364 -12.52814794
-0.00040647 -0.00022854 0.00001352
-0.02200330 0.02773383 0.02705265
7.87750355 4.04470221 14.59817370
-0.00022144 -0.00044692 0.00019523
0.00674604 0.01997602 -0.02008272
-15.49515413 9.72682060 -8.01437771
0.00037571 0.00035664 0.00053649
-0.00029678 0.00803815 0.01007732
8.73453466 7.78992388 -3.05180291
-0.00027040 0.00003400 0.00007688
-0.00468674 -0.01102466 0.00397787
14.17218762 -20.70464550 -26.74743829
-0.00003545 -0.00015587 0.00023418
-0.00323583 0.00743904 -0.00009456
5.05418905 6.93128535 1.62796448
0.00018538 -0.00026342 0.00040347
-0.00898670 0.02328231 0.00822526
18.29837623 -5.84748963 -7.55979759
-0.00021505 0.00000742 0.00013021
0.05025212 -0.02012500 0.00751239
-1.91637850 -2.07487083 -2.07598757
-0.00020572 -0.00002016 -0.00004183
0.00810080 -0.00701141 0.00646400
2.76703706 -2.06705371 -12.02941799
0.00003294 -0.00017112 -0.00001005
0.03525493 -0.01679435 -0.00570237
19.65669206 9.28688415 -6.18020654
0.00017513 -0.00027042 0.00022428
-0.03014793 0.02912502 -0.00019497
-7.57106260 5.77808797 8.87946227
-0.00031641 -0.00003392 -0.00036519
0.00013792 0.01331005 -0.00807067
-1.81210250 -16.07826880 11.40505518
0.00018865 -0.00004988 -0.00013146
-0.00365546 0.00451456 0.00152499
7.57199643 -0.45448266 -4.61307274
0.00009206 0.00007391 -0.00044352
0.01791545 -0.01298205 0.06367904
-0.99299513 -12.12931800 0.64932255
-0.00011863 -0.00021239 0.00010500
-0.00171813 -0.00030244 -0.00473927
-19.96577434 -0.68419995 5.27745451
-0.00009225 0.00049876 0.00009342
0.01310290 -0.02961318 0.01878786
-6.39660841 7.87551864 -25.08390601
-0.00027520 0.00026165 -0.00034428
0.03051230 0.01233294 -0.02553207
2.56241291 1.93866208 -1.82254611
-0.00052015 0.00009919 -0.00011450
-0.02307088 -0.01989787 0.01538667
14.75410527 8.24482706 4.12784749
-0.00031755 -0.00013637 0.00004627
0.01821308 0.02313113 0.00806376
-8.31203218 -6.82644798 10.29008359
0.00068030 -0.00084219 -0.00004566
0.01117394 -0.00105724 0.01365222
-10.09628804 -6.13868629 8.26347334
-0.00035010 0.00104415 0.00030325
-0.00144612 0.01263139 0.00730874
-13.11166655 6.10812706 7.67179695
0.00013303 -0.00028585 -0.00026961
-0.00233783 -0.00224354 -0.00837670
-13.89949353 3.37689787 8.24649333
0.00016755 -0.00087763 0.00051145
0.00574499 -0.00325112 0.00701779
-14.91914700 1.66685498 4.56474970
0.00107991 -0.00038986 0.00008447
0.00534665 0.00088272 -0.00381752
-17.43526634 0.73255831 3.52089481
-0.00083088 -0.00025117 0.00056675
0.02514738 0.01308919 -0.00940433
2.86304678 -21.27214901 12.62709608
-0.00135092 0.00058507 0.00102078
0.01337256 -0.02971198 -0.00576113
3.04308311 -19.40874730 14.89946432
0.00015035 -0.00085145 -0.00074645
0.02693582 0.00212723 0.05446327
9.20969881 19.09145783 0.59677307
0.00000250 0.00015855 -0.00174196
-0.00395821 -0.03023867 0.00187064
8.36219914 21.78105356 1.44460556
0.00109905 0.00063527 0.00038854
0.01702442 -0.00994764 -0.01204303
-10.52996871 12.34525181 16.94627024
0.00013841 -0.00142334 0.00037735
0.00049839 0.00837152 -0.01104161
-11.63793517 14.60476511 15.25244131
0.00048563 0.00077668 0.00064988
0.01021301 -0.04000133 -0.00108983
-5.95463730 -0.11782099 -14.28084160
-0.00030206 0.00006816 -0.00016729
0.00471432 0.01384425 -0.00479548
-6.50038805 0.02858043 -11.50031120
-0.00069444 0.00036907 -0.00067716
-0.00116719 0.03242656 -0.01308842
-8.26898443 8.25171270 -6.40734140
0.00071568 0.00039999 -0.00049091
0.00386733 0.00113042 -0.00352092
-9.88585928 6.29142681 -5.36319654
0.00055984 0.00079618 -0.00002713
-0.01818681 -0.00112173 0.02123964
-7.56501978 -1.80125830 18.08958474
-0.00022824 -0.00070887 -0.00020602
0.00143804 -0.04221873 -0.00268314
-7.33773076 -4.22010847 19.81020386
0.00053174 0.00033558 -0.00082148
-0.00233063 0.00057678 -0.00312980
-24.78043321 -6.46305531 -23.27732065
-0.00054063 0.00010510 -0.00031918
-0.00265554 0.00664598 -0.00184751
-21.91118991 -6.47659482 -23.43870003
0.00048035 -0.00168078 -0.00078607
0.00671093 0.00771943 0.00014253
8.63817757 13.09935137 4.83779435
-0.00031635 0.00023755 0.00005677
0.01593310 -0.00606568 -0.05422751
9.24554080 11.64323901 7.58841871
0.00096686 -0.00033290 0.00021789
-0.00764525 0.02432040 -0.03020589
23.76117844 27.38802480 -2.49725318
0.00152570 -0.00005232 -0.00019221
0.00067113 -0.01626676 0.00829244
23.10761674 30.17708508 -1.82203486
-0.00050723 -0.00084004 0.00021894
-0.00414994 -0.00146836 0.01044695
11.01500104 -0.90548055 -14.49454425
0.00045200 -0.00044672 0.00024967
-0.03300620 0.02510986 -0.00047686
8.22080718 -1.51818291 -14.59884028
0.00032987 0.00023512 -0.00056832
-0.00320181 -0.00682138 0.00563929
-9.75587489 -0.89065482 14.27971303
0.00030339 -0.00087984 -0.00054977
-0.01104178 -0.01347997 0.01218945
-9.40818197 -2.61781638 11.58633456
0.00007838 -0.00077711 0.00014169
-0.00255538 0.02147592 0.03694230
-3.04668509 -26.41679365 12.11277967
-0.00064862 -0.00009772 -0.00062051
0.01158003 0.00525663 -0.02362593
-3.28948447 -25.79125689 9.11217524
-0.00053225 0.00014259 0.00033946
-0.00440506 0.00089086 -0.00387080
-14.69444657 -2.61839501 -6.31225905
-0.00032951 0.00020670 -0.00020046
0.00323043 0.01458224 0.00487087
-16.16158528 -3.56574516 -8.65874340
0.00016380 -0.00055409 -0.00098096
-0.00119106 -0.00029199 0.00419508
-19.01213673 -9.42299978 -18.92820477
0.00001469 -0.00098493 -0.00079289
0.01948043 0.04583596 -0.02080712
-18.22404985 -12.31305036 -18.87231161
0.00024196 0.00067017 -0.00060913
-0.00610136 0.01549092 -0.00069684
22.63898746 5.75707921 3.55835842
0.00036803 -0.00008580 0.00022926
-0.00638256 0.02019078 0.00364502
20.26917305 6.53883315 5.46106124
-0.00046730 0.00032926 0.00058520
-0.00454328 0.03175382 0.00124808
18.29268126 -10.89934708 -12.07038884
0.00017838 0.00035829 0.00060796
-0.02908279 0.01394618 0.05764631
18.41027723 -10.68724012 -14.69655545
0.00058370 0.00033495 -0.00011142
0.00651630 -0.00357582 -0.01386553
-1.98283480 1.12579177 -7.18097254
0.00128208 -0.00114991 0.00077965
-0.01763952 -0.01880499 0.00920116
-4.72475382 0.37837809 -6.13651640
-0.00021804 0.00016773 -0.00013721
0.00535833 0.00308910 -0.00236008
-2.87213495 -4.47364189 -18.38978140
-0.00071787 0.00038658 -0.00054240
-0.00467265 -0.00047560 0.00352305
-3.63419822 -1.68233413 -18.60621517
0.00000820 0.00062437 -0.00013789
-0.00266913 0.00598379 0.00232781
13.81707116 17.58210955 -19.87504595
0.00001850 0.00104458 -0.00047430
-0.00394888 -0.01174862 -0.01454363
12.68071698 15.74900251 -22.02026150
-0.00072430 0.00028471 0.00034423
-0.00984394 0.00344690 0.01101822
-13.78124672 17.16934514 -11.63742842
-0.00037435 -0.00009756 0.00017494
-0.01498180 0.00521853 -0.03393574
-14.68265848 15.88944129 -14.16249762
0.00002433 0.00169904 -0.00014859
0.00330086 -0.02088490 -0.00932020
1.86105556 15.73433482 6.33089159
0.00109369 -0.00023556 -0.00014666
-0.01286824 -0.00030602 0.01732424
0.00550231 15.86244492 8.90591206
-0.00090905 0.00005570 0.00057122
0.02518565 -0.00482105 -0.02504461
-5.29174978 -8.16784389 2.64542013
0.00218731 0.00021514 -0.00037251
0.00508085 -0.01305642 0.01569696
-3.17746411 -10.27214290 3.05579879
-0.00069347 0.00025703 0.00056105
-0.00941012 0.01053159 -0.00270890
1.28089855 -3.65020410 3.17937986
-0.00046772 -0.00092581 0.00042234
0.02823861 -0.03565484 -0.02061691
3.17042779 -4.40722371 0.98736341
-0.00053473 -0.00079382 0.00110944
-0.01232466 -0.01469817 0.01927860
8.31239611 7.81324835 3.59305094
-0.00117901 0.00031925 -0.00026935
-0.02718041 0.00966801 -0.01918110
11.19768746 7.92468048 3.90634777
0.00015070 -0.00011569 -0.00089006
0.01888687 0.00855778 -0.00259720
-7.68863410 -11.29972300 -2.37142089
0.00015313 0.00028391 -0.00012118
-0.04077693 0.01263902 -0.00552872
-10.31580338 -9.95073755 -1.32183239
-0.00037368 -0.00003137 -0.00016114
-0.00889961 0.00311042 0.02191038
5.24941327 -15.67256862 -12.50507734
-0.00017723 -0.00109553 -0.00020952
0.00048773 0.00104865 -0.01917422
2.79477392 -16.72175462 -11.76214576
-0.00033428 -0.00009280 0.00153095
-0.00543931 0.01227474 -0.01822756
4.95244012 -4.95056542 -4.60257948
-0.00004063 0.00034774 0.00057086
-0.02617665 -0.00164932 0.00409715
5.05918037 -6.65306926 -2.55404284
0.00041227 0.00057541 -0.00035598
0.02116925 -0.02924698 0.03048203
16.73078633 2.60506530 24.13230963
-0.00030093 0.00011901 0.00052060
0.00776438 0.00128454 0.01093135
19.41448859 3.02942781 25.58443739
0.00016071 -0.00003970 -0.00009103
0.00087439 0.01915202 0.00425821
-9.64957408 0.97855006 1.50051377
-0.00024076 -0.00030335 0.00024112
0.00384160 -0.00481746 -0.00637633
-9.98528594 3.48511897 2.66773317
-0.00028155 -0.00111592 0.00028648
0.00921323 0.00927845 -0.00612525
-5.00267762 13.58305598 -8.62401268
0.00008753 -0.00018731 0.00048020
-0.00812172 0.00417741 -0.00789385
-7.65549798 12.36643744 -8.82808650
0.00056920 -0.00011918 -0.00022331
0.01134959 0.00358389 -0.01459302
1.17012756 11.85792873 -6.49648169
0.00120400 0.00038399 0.00036753
-0.00510874 -0.00232356 -0.01814102
1.84624792 14.47803537 -6.20442297
-0.00004922 -0.00083346 0.00019872
0.00898093 -0.00459522 -0.02403935
-10.65298850 8.38523384 -12.94012159
-0.00050442 0.00085174 -0.00035406
0.00995478 -0.03120301 -0.01092870
-11.93831770 9.93485381 -10.92961376
0.00036687 0.00036096 0.00060175
0.00863986 0.00591633 -0.01375547
7.73565432 5.28610913 13.19290889
0.00035445 0.00055141 0.00025613
-0.01510793 -0.01580789 0.01539912
9.68015212 3.93978703 14.46540099
-0.00023312 0.00021380 -0.00030438
0.01083659 -0.00977773 0.00636131
-14.14233154 10.64415553 -7.11328519
-0.00047431 0.00122866 0.00009684
-0.00599727 0.00446374 -0.01459208
-16.96951848 10.84833494 -7.95133612
-0.00022691 0.00003760 0.00010881
0.01041661 -0.00526859 -0.00072468
9.20199205 9.33501041 -2.17373783
0.00021882 -0.00102552 -0.00036788
-0.00822942 -0.00316766 -0.01817378
7.79367970 8.02249483 -4.64099932
-0.00094781 -0.00038433 -0.00104266
0.00699206 0.00870203 0.01637976
14.47018017 -19.03133143 -27.43037091
0.00010387 0.00058861 -0.00001236
0.00180765 0.00269674 -0.00565100
13.38414039 -20.33517488 -25.14783361
0.00030747 0.00016885 -0.00041097
0.00067026 0.00005428 0.00807823
5.01230996 5.21745834 2.20960103
-0.00081281 -0.00115815 0.00019569
0.00943367 -0.01416909 -0.00503230
5.69538595 7.04316771 -0.07590008
-0.00052027 0.00034720 -0.00084559
0.00408107 -0.00794467 -0.00295546
19.90925047 -6.45149247 -6.77180261
0.00028295 0.00182064 -0.00049767
-0.02305557 0.00902473 -0.01444572
17.40581341 -5.10203283 -6.19094324
-0.00042275 -0.00008884 -0.00061929
-0.02260127 0.01618461 0.01924760
-2.62192592 -0.80421273 -0.99349016
0.00043177 -0.00063047 -0.00035346
-0.00249530 0.00651125 0.00270914
-2.09187439 -1.42388631 -3.80143184
0.00012707 -0.00123450 0.00059126
-0.00307006 0.00082353 0.00131007
4.04734589 -3.48497417 -12.24081012
-0.00024073 0.00022971 -0.00049551
-0.02697138 0.02142032 0.00249648
1.07811514 -2.75236274 -11.79208237
0.00023860 -0.00008566 -0.00013589
-0.00474944 -0.00751592 0.00277573
19.70719959 8.45098099 -7.76165164
0.00042825 0.00070418 0.00006305
-0.00048479 -0.01247392 -0.02495489
20.80985913 8.37954702 -5.20936528
0.00006198 -0.00044450 -0.00026809
0.03514590 -0.02606547 0.02625057
-7.03250329 3.99344057 8.99779282
0.00033987 -0.00163691 -0.00060841
-0.00349978 0.00264810 0.00646742
-7.35006671 6.64623942 10.46703871
0.00107236 -0.00037029 -0.00066773
0.00167861 -0.00816813 -0.00044825
-2.21464603 -17.84560558 11.62509115
0.00051387 -0.00036115 0.00005659
-0.00049146 0.00486379 -0.00716455
-2.80572853 -15.39954301 10.00983409
0.00015555 -0.00085163 -0.00008787
0.00145727 -0.00602332 0.00774352
8.47168117 -0.68546810 -2.85804036
-0.00004745 0.00038524 -0.00048877
-0.01881094 0.01559000 -0.04215223
7.52672651 1.21010038 -5.29296050
-0.00008490 -0.00002207 0.00030418
0.00900868 0.02054894 -0.00223233
0.36401035 -11.84224597 1.85369160
-0.00028375 -0.00003913 -0.00019195
0.00500777 -0.00094491 0.00630201
-0.89420545 -10.57131155 -0.36595224
-0.00012497 -0.00026408 0.00049518
-0.00767461 0.00132268 0.00221850
-19.61723177 -1.60705895 6.95700392
0.00046015 0.00065935 -0.00009237
-0.00008408 0.01876310 -0.02127421
-21.22610820 0.44948879 5.84872308
0.00014227 -0.00052469 0.00044852
-0.01502286 0.01802769 0.00010744
-4.90660490 8.16974731 -26.25957489
-0.00076383 -0.00047411 0.00066258
-0.02504029 0.00187005 0.00237551
-5.42967531 7.44997246 -23.65828711
0.00095778 0.00080819 -0.00160933
0.00649536 -0.00954670 0.03514616
4.17803333 1.69157851 -2.52184003
-0.00057328 -0.00001824 0.00063322
0.02448423 -0.00478075 -0.00919267
2.01370519 0.20354611 -1.38057055
0.00104466 0.00018811 -0.00023870
-0.00165707 0.02236333 -0.00869362
14.86790257 7.37411677 5.80792194
0.00024813 0.00061664 0.00014311
0.00352400 0.01785028 -0.01476206
15.73493860 9.92150859 4.11316203
-0.00031311 0.00021620 -0.00008903
-0.02399186 -0.03987783 0.00877723
1.51327743 -11.77254998 -13.87514145
0.00013393 0.00002939 -0.00015524
0.00426070 0.00623521 0.00159951
-13.56364011 14.61407760 22.73270620
-0.00000900 0.00013848 0.00015729
-0.00323074 -0.00174878 -0.00176232
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02402813
0.34025437
453.37189051
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290427258
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3467079974 (a.u.)
total exchange computation time: 2.6574819088 s
-154.0656476780
-931.35966871
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290427258
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3462562520 (a.u.)
total exchange computation time: 2.6552391052 s
-154.0700040909
Anderson extrapolation: theta=1.3800703408 (1.3800703408)
-931.35993176
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290427258
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3454922187 (a.u.)
total exchange computation time: 2.6560170650 s
-154.0770434714
Anderson extrapolation: theta=0.0647290541 (0.0647290541)
-931.36009639
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290427258
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3453325134 (a.u.)
total exchange computation time: 2.6586251259 s
-154.0783439216
Anderson extrapolation: theta=2.2270160265 (2.0000000000)
-931.36010486
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290427258
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3449800528 (a.u.)
total exchange computation time: 2.6555562019 s
-154.0811107323
Anderson extrapolation: theta=0.3545826318 (0.3545826318)
-931.36011530
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290427258
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3448534102 (a.u.)
total exchange computation time: 2.6562540531 s
-154.0820119214
Anderson extrapolation: theta=1.1884607736 (1.1884607736)
-931.36011790
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290427258
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3447301807 (a.u.)
total exchange computation time: 2.6573719978 s
-154.0827923934
Anderson extrapolation: theta=0.4575515909 (0.4575515909)
-931.36012005
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290427258
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3447040491 (a.u.)
total exchange computation time: 2.6555819511 s
-154.0828592330
Anderson extrapolation: theta=0.8840965582 (0.8840965582)
-931.36012082
-22.640838 -171.769615 -243.731220
-137.637277 457.967996 -804.501524
-160.278115 286.198381 -1048.232744
1098.358081
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290427258
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3447049293 (a.u.)
total exchange computation time: 2.6553831100 s
678.61117288
-1083.34970506
89.70892539
-389.26143009
-174.72437947
78.07145389
551.60419304
0.00000000
-931.36012126
-9.23004301 -5.35609220 9.70436929
0.00001016 0.00016817 0.00016039
-0.00128233 -0.01882344 -0.01401247
-13.82578391 5.04696907 8.97927754
0.00014525 -0.00002880 -0.00017539
-0.00119181 0.00147166 0.00971761
-15.79099004 1.58615524 2.94548769
-0.00008225 -0.00006704 -0.00009159
-0.03292541 -0.01589515 0.02300568
2.45548163 -19.69396240 13.31516124
-0.00007532 -0.00003468 0.00019978
-0.05038086 0.03585939 -0.05725192
9.72941352 20.80120066 0.48569981
0.00037071 -0.00001595 -0.00014436
-0.01435345 0.04181373 0.00330454
-11.14733206 12.75536025 15.18304708
-0.00019199 0.00009539 0.00001503
-0.01140695 0.03382988 0.00496233
-6.02339943 1.17227066 -12.96988859
0.00002966 -0.00018091 0.00025685
0.00107475 -0.04477509 0.01211573
-8.95430446 6.63609705 -6.84393268
0.00018244 0.00024702 0.00008755
0.00820272 -0.00026601 -0.02840308
-7.52067218 -3.72065442 18.04528892
0.00032406 0.00000196 0.00006182
0.00208364 0.03135494 -0.00235260
-23.35985067 -7.56167563 -23.47632430
-0.00022830 0.00000463 -0.00029967
-0.01211228 -0.01325571 -0.00942836
8.35886723 13.03545899 6.54983333
0.00042019 0.00040102 0.00017062
-0.00346715 -0.01596551 0.08572906
23.21843493 28.96000719 -3.16855373
-0.00038905 -0.00042083 0.00039511
-0.00264827 0.01595296 -0.02079372
9.31878217 -0.04656405 -14.61482814
0.00030771 0.00036200 -0.00001757
0.03568744 -0.01668700 -0.00758192
-9.04786618 -1.05958625 12.64720070
-0.00022310 -0.00009608 -0.00031154
0.01614224 -0.01645974 -0.05171034
-2.12033287 -25.92687092 10.49122686
-0.00004749 0.00003396 0.00020915
-0.00337570 -0.00850267 0.01665300
-15.20723595 -4.13117104 -7.21751645
-0.00014678 0.00020684 -0.00006132
-0.00601621 -0.03297802 -0.02486712
-19.40231485 -10.98531876 -18.26842362
-0.00010819 -0.00007961 0.00015101
-0.00969642 -0.06650237 0.02078556
21.25887320 5.32884970 4.65784188
-0.00043682 0.00034147 0.00002408
0.01405661 -0.04803276 -0.00297524
19.24156375 -11.62443211 -13.34957876
0.00082880 0.00008537 0.00017121
0.01324049 -0.00663537 -0.04475367
-3.08868328 -0.28653256 -6.60282986
-0.00043349 -0.00012937 0.00019116
0.01951048 0.01864820 -0.01207380
-3.84039662 -3.17767451 -17.55315667
0.00035369 -0.00009622 -0.00010216
0.00030043 0.00754585 -0.00191905
14.20780220 16.42203378 -21.26243762
0.00015718 -0.00007225 -0.00013441
0.01878593 0.00899699 0.00741800
-14.64815561 17.49826174 -13.30552938
0.00026086 0.00032545 -0.00021767
0.00434404 0.02292381 0.04971044
1.51519966 15.08840092 8.02628758
-0.00027190 0.00006424 -0.00055927
-0.01662831 0.00175915 0.01263014
-4.45739751 -9.24105156 3.94535294
0.00025714 0.00009843 -0.00016136
-0.00171909 0.00063528 -0.01248787
2.12477704 -5.20169090 2.32721403
0.00005850 0.00032401 -0.00021523
-0.01519242 0.04324717 0.01489915
9.67884600 7.12998661 4.47345484
0.00001800 0.00010246 -0.00010625
0.00893408 -0.01578019 0.01460584
-9.25458998 -10.19602354 -2.73410570
-0.00005172 -0.00037580 0.00035804
0.04700430 -0.01666643 -0.00785498
3.49076144 -15.59646875 -13.10584939
-0.00015210 0.00008989 -0.00034034
-0.00334607 -0.01992588 0.04208656
3.76630234 -5.71050597 -3.29927006
0.00001381 -0.00000439 0.00043055
0.00375860 0.02919437 -0.03544327
18.41180292 1.94533881 24.53829269
-0.00005479 -0.00001061 -0.00016418
-0.01022153 -0.03167927 -0.01859276
-8.83342238 2.62004261 1.51840887
-0.00015150 -0.00025224 0.00000323
-0.01828262 -0.00620757 0.00695599
-6.10172638 12.70421237 -9.83546671
0.00044835 -0.00039177 0.00014486
-0.01638586 -0.00824643 0.01178663
1.62338578 13.25127682 -7.62965903
-0.00004672 0.00017007 0.00004297
0.00049321 0.00572033 0.04253730
-10.99006000 10.07187248 -12.52784078
-0.00041813 -0.00021201 0.00002798
-0.02331059 0.03654740 0.02916391
7.87420795 4.03807540 14.60102461
-0.00021794 -0.00043589 0.00018418
0.00686573 0.02294456 -0.02285629
-15.48951957 9.73220124 -8.00629142
0.00037459 0.00036073 0.00054139
-0.00407321 0.00784196 0.00895667
8.73046052 7.79039143 -3.05063444
-0.00027436 0.00002671 0.00007632
-0.01068429 -0.01734689 -0.00613799
14.17164346 -20.70695488 -26.74392591
-0.00003629 -0.00015082 0.00023240
-0.00003447 0.01219682 -0.00682678
5.05693515 6.92742389 1.63404833
0.00018130 -0.00025269 0.00040655
-0.00690552 0.01843937 0.00372011
18.29534432 -5.84745595 -7.55781547
-0.00018934 -0.00000302 0.00013293
0.04974374 -0.02045931 0.00308461
-1.91943299 -2.07520026 -2.07659006
-0.00020067 -0.00002578 -0.00003788
0.01150538 -0.01485273 0.00890765
2.76766715 -2.06968531 -12.02959070
0.00005092 -0.00017910 -0.00001302
0.03468274 -0.01424288 -0.00585586
19.65920273 9.28294021 -6.17684303
0.00015947 -0.00025503 0.00022443
-0.03076274 0.03073864 0.00075596
-7.57580825 5.77763048 8.87395335
-0.00031563 -0.00002979 -0.00036963
0.00291279 0.00274235 -0.00922419
-1.80928679 -16.07899952 11.40308917
0.00018693 -0.00004833 -0.00013021
-0.00303072 0.00148486 0.00331488
7.57344643 -0.45342402 -4.61947989
0.00010125 0.00006681 -0.00041057
0.01782058 -0.01464291 0.06443801
-0.99478114 -12.13250497 0.65087933
-0.00011978 -0.00021283 0.00010243
-0.00277146 -0.00141721 -0.00527377
-19.96710756 -0.67683275 5.27892828
-0.00008445 0.00048274 0.00010253
0.01723809 -0.03269840 0.01662452
-6.40061866 7.87949100 -25.08916866
-0.00026072 0.00026785 -0.00035705
0.02578978 0.01175336 -0.02412452
2.55452164 1.94007321 -1.82420433
-0.00053194 0.00008962 -0.00010670
-0.02278750 -0.01731715 0.01495131
14.74941231 8.24287068 4.12857259
-0.00030791 -0.00012388 0.00005012
0.01927237 0.02546435 0.00690756
-8.30148534 -6.83911319 10.28981710
0.00071688 -0.00083364 0.00000387
0.00673218 0.00524210 0.01059314
-10.10158387 -6.12263700 8.26824599
-0.00035769 0.00109266 0.00032986
-0.00227080 0.01111799 0.00571897
-13.10974278 6.10377062 7.66749616
0.00012405 -0.00029493 -0.00030528
-0.00205536 -0.00220124 -0.00908497
-13.89680427 3.36363377 8.25438014
0.00019186 -0.00088309 0.00054236
0.00615815 0.00058150 0.00811373
-14.90278450 1.66103415 4.56589984
0.00109553 -0.00038659 0.00006055
0.00229882 0.00071715 -0.00789227
-17.44695889 0.72919179 3.52910792
-0.00072093 -0.00019457 0.00052697
0.02867026 0.01461905 -0.01006843
2.84319280 -21.26428349 12.64223132
-0.00129214 0.00044434 0.00098757
0.01539958 -0.03917573 -0.01049767
3.04616376 -19.42145391 14.88993644
0.00026709 -0.00083900 -0.00050583
0.03020809 0.00397024 0.06332348
9.20961501 19.09290942 0.57070100
-0.00001541 0.00003422 -0.00173330
-0.00480914 -0.03061850 0.00236780
8.37920659 21.79027776 1.45006464
0.00116704 0.00059192 0.00033833
0.01625511 -0.01127115 -0.01253730
-10.52787731 12.32415827 16.95159212
0.00013806 -0.00138543 0.00032639
-0.00066745 0.01018353 -0.01390489
-11.63033774 14.61518957 15.26215610
0.00052837 0.00060804 0.00064586
0.01070584 -0.04255179 -0.00087986
-5.95902370 -0.11637437 -14.28349795
-0.00028274 0.00012596 -0.00018576
0.00474212 0.01444855 -0.00424351
-6.51084044 0.03511017 -11.51086960
-0.00070113 0.00049572 -0.00072232
-0.00210903 0.02956629 -0.00902204
-8.25813075 8.25774726 -6.41481299
0.00073001 0.00040121 -0.00050626
0.00314672 -0.00053693 -0.00399168
-9.87801904 6.30333517 -5.36295261
0.00048225 0.00079061 0.00006510
-0.01979213 -0.00160454 0.02390426
-7.56839927 -1.81318507 18.08641222
-0.00022217 -0.00087241 -0.00021680
0.00153350 -0.03783582 -0.00259499
-7.32982606 -4.21505704 19.79778574
0.00052332 0.00033368 -0.00082122
-0.00178942 -0.00150706 0.00325718
-24.78862404 -6.46127514 -23.28216495
-0.00054475 0.00013067 -0.00032741
0.00064117 0.00586910 -0.00218144
-21.90377903 -6.50156993 -23.45048668
0.00051144 -0.00164298 -0.00078517
0.00850598 0.01078400 0.00029681
8.63392051 13.10272878 4.83698426
-0.00025201 0.00021230 -0.00016310
0.01556275 -0.00629555 -0.05340338
9.25980945 11.63899071 7.59076144
0.00093222 -0.00022897 0.00009181
-0.00931100 0.02655643 -0.03150954
23.78408443 27.38674160 -2.49988227
0.00152763 -0.00011725 -0.00015895
0.00027426 -0.01551668 0.00799217
23.09988114 30.16443949 -1.81843069
-0.00052447 -0.00084176 0.00026624
-0.00429026 0.00062404 0.01270781
11.02076968 -0.91141188 -14.49081377
0.00031334 -0.00034103 0.00024738
-0.03487169 0.02662390 -0.00064598
8.22565706 -1.51486521 -14.60719230
0.00031689 0.00020867 -0.00054510
-0.00315027 -0.00612202 0.00572824
-9.75166246 -0.90426544 14.27183995
0.00025530 -0.00093344 -0.00049142
-0.01249434 -0.01275913 0.01637482
-9.40708451 -2.62881487 11.58959197
0.00006891 -0.00068756 0.00029235
-0.00208122 0.02235619 0.03680798
-3.05605947 -26.41809837 12.10274804
-0.00060163 -0.00007692 -0.00071237
0.01141978 0.00492255 -0.02133945
-3.29760318 -25.78909080 9.11714849
-0.00054681 0.00014620 0.00032516
-0.00272389 0.00087679 -0.00312832
-14.69929018 -2.61484773 -6.31511675
-0.00031634 0.00026774 -0.00018113
0.00321653 0.01529764 0.00459390
-16.15916482 -3.57406541 -8.67332931
0.00016175 -0.00055599 -0.00095883
0.00019073 -0.00064192 0.00664034
-19.01131942 -9.43636921 -18.94073564
0.00009421 -0.00079006 -0.00088026
0.01944617 0.04955661 -0.02196255
-18.22060743 -12.30252315 -18.88146993
0.00021628 0.00073003 -0.00061042
-0.00646880 0.01381057 0.00006605
22.64431229 5.75641087 3.56190904
0.00033725 -0.00000390 0.00024841
-0.00868231 0.01990003 0.00572976
20.26202438 6.54474512 5.46987743
-0.00048179 0.00045538 0.00058763
-0.00254886 0.02998051 -0.00005833
18.29446581 -10.89354544 -12.05950295
0.00006857 0.00040795 0.00082959
-0.02467132 0.01036591 0.05084146
18.41923238 -10.68232544 -14.69865160
0.00061333 0.00031708 -0.00016224
0.00798927 -0.00517142 -0.01101316
-1.96414415 1.10796691 -7.16899587
0.00120711 -0.00122548 0.00081729
-0.01905854 -0.01818744 0.00922633
-4.72786018 0.38098875 -6.13864686
-0.00019750 0.00018269 -0.00014623
0.00469601 0.00423397 -0.00205353
-2.88304613 -4.46785782 -18.39780948
-0.00073067 0.00037661 -0.00053332
-0.00159443 -0.00440564 0.00092278
-3.63415704 -1.67278529 -18.60821219
-0.00000352 0.00064213 -0.00012396
-0.00306696 0.00271420 0.00449247
13.81722765 17.59741826 -19.88260618
0.00000453 0.00099237 -0.00053791
-0.00288891 -0.01381027 -0.01659181
12.66955087 15.75337885 -22.01476047
-0.00075905 0.00030047 0.00039086
-0.00716625 0.00426700 0.01181123
-13.78732111 17.16804171 -11.63584428
-0.00043538 -0.00007611 0.00003513
-0.01488896 0.00527725 -0.03450160
-14.68219231 15.91428693 -14.16501214
0.00003744 0.00159680 -0.00019520
0.00311379 -0.02916329 -0.01349212
1.87706661 15.73079211 6.32922260
0.00103970 -0.00023440 -0.00007932
-0.01355914 0.00087332 0.01563993
-0.00736175 15.86313261 8.91371295
-0.00079858 0.00003416 0.00046233
0.02889159 -0.00571977 -0.02826123
-5.25878440 -8.16501689 2.64031348
0.00220229 0.00016686 -0.00031269
0.00224973 -0.01057572 0.01358758
-3.18815447 -10.26796474 3.06413157
-0.00072105 0.00029142 0.00054464
-0.00409248 0.00630298 -0.00532539
1.27474812 -3.66518390 3.18508319
-0.00035323 -0.00106683 0.00033787
0.02780429 -0.03337216 -0.02073001
3.16202922 -4.41958140 1.00459580
-0.00057231 -0.00084214 0.00117141
-0.00607191 -0.00895689 0.01105274
8.29387807 7.81833342 3.58842292
-0.00127285 0.00035015 -0.00033723
-0.01875609 0.00545729 -0.01404440
11.20052671 7.92320737 3.89291723
0.00022320 -0.00008261 -0.00089933
0.01660267 0.00763681 -0.00193802
-7.68758670 -11.29507705 -2.37340805
-0.00001187 0.00033362 -0.00014162
-0.03999090 0.01169389 -0.00447465
-10.32168135 -9.95111285 -1.32357805
-0.00041080 -0.00001859 -0.00006917
-0.00927021 0.00314887 0.02310667
5.24676975 -15.68896942 -12.50880773
-0.00017454 -0.00109015 -0.00028918
0.00082792 0.00158669 -0.01982138
2.78959307 -16.72277053 -11.73974007
-0.00035096 -0.00003232 0.00144300
-0.00272435 0.01733437 -0.02482445
4.95102855 -4.94539992 -4.59389098
-0.00014857 0.00034155 0.00058644
-0.02665935 -0.00137766 0.00352660
5.06601313 -6.64533430 -2.55844851
0.00050254 0.00045241 -0.00022825
0.02301759 -0.03096313 0.03204419
16.72651024 2.60688977 24.14045359
-0.00026804 0.00012350 0.00056495
0.00833795 0.00091296 0.01078015
19.41692596 3.02941924 25.58320247
0.00016302 0.00003718 -0.00007490
0.00025924 0.01847793 0.00363766
-9.65306769 0.97385216 1.50393515
-0.00022341 -0.00032281 0.00021368
0.00464769 -0.00470697 -0.00705544
-9.98922679 3.46866451 2.67184265
-0.00024488 -0.00107505 0.00026309
0.00873214 0.01072696 -0.00532417
-5.00161358 13.58037440 -8.61705151
0.00005483 -0.00017046 0.00044710
-0.00788172 0.00407016 -0.00830889
-7.64661226 12.36475963 -8.83188333
0.00061118 -0.00010605 -0.00028060
0.00920002 0.00284130 -0.01345041
1.18803097 11.86361732 -6.49152466
0.00118110 0.00036926 0.00029451
-0.00609858 -0.00488510 -0.01760218
1.84578489 14.46539265 -6.20217885
-0.00001149 -0.00084480 0.00010437
0.00948466 -0.00095728 -0.02214567
-10.66024969 8.39705380 -12.94576744
-0.00046088 0.00070771 -0.00040201
0.01135499 -0.03930033 -0.01254200
-11.93254987 9.94044948 -10.92100899
0.00040237 0.00038390 0.00054427
0.00873457 0.00531404 -0.01438128
7.74050809 5.29389585 13.19722269
0.00029144 0.00048276 0.00032322
-0.01573493 -0.01779483 0.01744220
9.67698735 3.94269438 14.46103017
-0.00018801 0.00017242 -0.00027720
0.01124530 -0.01047835 0.00694494
-14.14963002 10.66272216 -7.11227980
-0.00049374 0.00124911 0.00004012
-0.00351431 0.00554655 -0.01317208
-16.97260300 10.84873755 -7.94972611
-0.00018174 0.00001369 0.00010544
0.01169626 -0.00643903 -0.00092841
9.20502218 9.31953052 -2.17981290
0.00018860 -0.00102470 -0.00043542
-0.00656551 0.00356740 -0.01488617
7.77967687 8.01699658 -4.65613726
-0.00091059 -0.00034938 -0.00096209
0.01122655 0.00840348 0.02305814
14.47179364 -19.02241959 -27.43072954
0.00010935 0.00058848 -0.00003154
0.00087294 -0.00276311 -0.00373580
13.38877304 -20.33264054 -25.15375061
0.00030559 0.00017045 -0.00036850
-0.00159138 0.00073021 0.01271059
5.00040693 5.19965195 2.21238211
-0.00077310 -0.00120370 0.00017003
0.01000476 -0.00812822 -0.00752530
5.68770701 7.04813234 -0.08867442
-0.00050823 0.00031258 -0.00084364
0.00181149 -0.00900208 0.00390727
19.91278824 -6.42390633 -6.77971034
0.00019259 0.00185486 -0.00055347
-0.02117609 0.00772423 -0.01286757
17.39877955 -5.10286943 -6.19964275
-0.00051822 -0.00001983 -0.00053479
-0.02412924 0.01759381 0.02211589
-2.61552585 -0.81347024 -0.99870904
0.00041605 -0.00059362 -0.00033496
-0.00520168 0.01152863 0.00634581
-2.09006241 -1.44237851 -3.79252275
0.00011245 -0.00122539 0.00058441
-0.00408625 0.00363560 -0.00466461
4.04290853 -3.48087211 -12.24816620
-0.00034767 0.00031324 -0.00048534
-0.02537929 0.01946895 0.00247928
1.08154855 -2.75387790 -11.79403567
0.00021698 -0.00011747 -0.00012442
-0.00583234 -0.00805893 0.00284008
19.71360843 8.46116149 -7.76147063
0.00042618 0.00065176 -0.00004247
-0.00052427 -0.01318604 -0.02669655
20.81186588 8.37208074 -5.21258223
0.00020696 -0.00055231 -0.00015958
0.03581801 -0.02670770 0.02686432
-7.02751243 3.96896801 8.98886483
0.00031999 -0.00160717 -0.00058316
-0.00623502 0.01191231 0.00589486
-7.33392993 6.64043481 10.45700907
0.00107939 -0.00040144 -0.00066592
0.00176230 -0.00708169 0.00133168
-2.20695299 -17.85087381 11.62572041
0.00051286 -0.00033764 0.00002747
-0.00000290 0.00664754 -0.00709020
-2.80335062 -15.41250209 10.00875332
0.00015926 -0.00087393 -0.00005981
0.00035934 -0.00489329 0.00599352
8.47039295 -0.67921178 -2.86666357
-0.00012357 0.00044793 -0.00065956
-0.01845017 0.01509905 -0.04145108
7.52572905 1.21039900 -5.28846621
-0.00004853 0.00006668 0.00029250
0.00879302 0.02289661 -0.00348496
0.35990759 -11.84286186 1.85100543
-0.00026080 -0.00004345 -0.00016304
0.00622366 -0.00116786 0.00784880
-0.89631515 -10.57523222 -0.35845656
-0.00015690 -0.00025619 0.00050146
-0.00795531 0.00254104 0.00085727
-19.61033204 -1.59659368 6.95496647
0.00046021 0.00073436 -0.00017819
0.00011015 0.01795382 -0.02073793
-21.22443454 0.44217085 5.85545421
0.00007218 -0.00044301 0.00045211
-0.01928655 0.02195786 0.00164757
-4.91882968 8.16269303 -26.24956336
-0.00085833 -0.00046346 0.00066051
-0.02121624 0.00333886 -0.00338810
-5.41510953 7.46180276 -23.68135013
0.00098660 0.00076665 -0.00145618
0.00760977 -0.01078670 0.03982533
4.17018447 1.69115838 -2.51262340
-0.00046762 -0.00003599 0.00059335
0.02723594 -0.00390695 -0.01032563
2.02932426 0.20705300 -1.38441747
0.00103255 0.00027213 -0.00027091
-0.00427086 0.01876450 -0.00707399
14.87173248 7.38391336 5.80961625
0.00026159 0.00068677 0.00008551
0.00306337 0.01647950 -0.01343321
15.72950675 9.92352954 4.11209547
-0.00041259 0.00005120 -0.00005391
-0.02470566 -0.04088940 0.00841588
1.51529784 -11.77209235 -13.87746569
0.00013549 0.00003163 -0.00015467
0.00444710 0.00627935 0.00153830
-13.56378076 14.61615179 22.73506246
-0.00000975 0.00013809 0.00015685
-0.00325027 -0.00165526 -0.00200756
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02440028
0.33572099
447.33138552
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290427258
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3533192528 (a.u.)
total exchange computation time: 2.6591069698 s
-154.0924484092
-931.35576602
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290427258
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3528435341 (a.u.)
total exchange computation time: 2.6569209099 s
-154.0973614757
Anderson extrapolation: theta=1.3562523127 (1.3562523127)
-931.35603177
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290427258
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3521096909 (a.u.)
total exchange computation time: 2.6553049088 s
-154.1048315744
Anderson extrapolation: theta=0.0554180935 (0.0554180935)
-931.35619210
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290427258
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3520006131 (a.u.)
total exchange computation time: 2.6571540833 s
-154.1059226046
Anderson extrapolation: theta=2.0279054655 (2.0000000000)
-931.35619845
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290427258
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3517699948 (a.u.)
total exchange computation time: 2.6549551487 s
-154.1082055881
Anderson extrapolation: theta=0.2442636900 (0.2442636900)
-931.35620506
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290427258
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3517188304 (a.u.)
total exchange computation time: 2.6541891098 s
-154.1087050743
Anderson extrapolation: theta=1.7512367694 (1.7512367694)
-931.35620622
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290427258
ExchangeOperator: bisection time: 1.150 s
total exchange = -52.3516572254 (a.u.)
total exchange computation time: 2.6569838524 s
-154.1093157981
Anderson extrapolation: theta=0.3007290615 (0.3007290615)
-931.35620724
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290427258
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3516651260 (a.u.)
total exchange computation time: 2.6555540562 s
-154.1092541731
Anderson extrapolation: theta=1.2438223955 (1.2438223955)
-931.35620739
-22.638442 -171.793616 -243.715670
-137.620550 457.942152 -804.537073
-160.258992 286.148536 -1048.252743
1098.361390
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290427258
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3516927056 (a.u.)
total exchange computation time: 2.6543080807 s
678.72109537
-1083.58211729
89.70189972
-389.10238756
-174.74300485
78.20099203
551.60419304
0.00000000
-931.35620732
-9.22989552 -5.35364228 9.70672107
0.00001087 0.00015734 0.00015440
0.00402609 -0.02329852 -0.00928101
-13.82360975 5.04654269 8.97668412
0.00014443 -0.00002899 -0.00017048
-0.00200577 -0.00219380 0.00939478
-15.79235083 1.58508830 2.94420251
-0.00009911 -0.00007546 -0.00007862
-0.03264228 -0.01682841 0.02743247
2.45415745 -19.69434422 13.31793703
-0.00010212 -0.00001441 0.00016999
-0.05382462 0.04294623 -0.05858364
9.73491880 20.80112277 0.48354718
0.00036363 0.00000552 -0.00014266
-0.01319719 0.04164018 0.00329423
-11.15025589 12.75692155 15.18329162
-0.00019755 0.00011276 0.00001831
-0.01021570 0.03371052 0.00781744
-6.02295032 1.16938435 -12.96598908
0.00003052 -0.00020306 0.00026175
0.00226202 -0.04136338 0.00693630
-8.95153625 6.63980127 -6.84272897
0.00018703 0.00024731 0.00007259
0.00965355 0.00141589 -0.02976578
-7.51580322 -3.72050414 18.04620720
0.00032491 0.00001719 0.00005890
0.00119927 0.02790673 -0.00900836
-23.36332186 -7.56165729 -23.48085574
-0.00023567 -0.00000263 -0.00030442
-0.01654929 -0.01498823 -0.00904532
8.36515671 13.04141272 6.55272338
0.00041899 0.00039246 0.00021395
-0.00121276 -0.01732398 0.08276440
23.21258890 28.95375630 -3.16270735
-0.00039023 -0.00041345 0.00038407
-0.00190363 0.01272263 -0.02213543
9.32353551 -0.04119842 -14.61512092
0.00032620 0.00035289 -0.00002147
0.03621388 -0.01871762 -0.00757832
-9.05115036 -1.06109101 12.64232814
-0.00021465 -0.00010475 -0.00033879
0.01669611 -0.01722961 -0.05426749
-2.12105826 -25.92639432 10.49442829
-0.00004956 0.00002966 0.00021672
-0.00465025 -0.00822115 0.01279053
-15.20946088 -4.12819558 -7.21853210
-0.00015018 0.00018987 -0.00007459
-0.00721032 -0.03301310 -0.02674875
-19.40397514 -10.98676944 -18.26607835
-0.00011296 -0.00011353 0.00016155
-0.00884748 -0.06538742 0.02021948
21.25237516 5.33378652 4.65819162
-0.00042969 0.00031749 0.00002251
0.01364064 -0.04521730 -0.00311907
19.25404683 -11.62317716 -13.34718322
0.00083379 0.00008345 0.00014959
0.00617681 -0.00083362 -0.03934055
-3.09511037 -0.28840116 -6.60000903
-0.00042300 -0.00012032 0.00018486
0.02127452 0.01653673 -0.01243815
-3.83509006 -3.17908864 -17.55469653
0.00035319 -0.00009042 -0.00010299
-0.00226901 0.01498209 -0.00129138
14.21023242 16.42098468 -21.26442520
0.00016586 -0.00006737 -0.00013041
0.01494796 0.00998224 0.00813031
-14.64422599 17.50323198 -13.30860263
0.00026303 0.00033921 -0.00019118
0.00410801 0.03055930 0.05329407
1.51105697 15.08937127 8.01794724
-0.00028112 0.00006506 -0.00055153
-0.01920938 0.00142059 0.01748239
-4.45354701 -9.23957260 3.94288430
0.00025555 0.00009923 -0.00016634
-0.00447129 0.00244205 -0.00685998
2.12559598 -5.19666388 2.32404302
0.00004906 0.00034379 -0.00020529
-0.02154311 0.03364844 0.02378114
9.67915040 7.13146263 4.47191737
0.00002104 0.00009569 -0.00010027
0.00291191 -0.01054804 0.00867250
-9.25518453 -10.20172482 -2.72876537
-0.00002815 -0.00038392 0.00035351
0.04465496 -0.01489695 -0.00978402
3.48846708 -15.59519721 -13.11079220
-0.00015443 0.00007841 -0.00031712
-0.00574560 -0.02473783 0.04820886
3.76652405 -5.71045922 -3.29294848
0.00001563 0.00001062 0.00041241
0.00330056 0.02918804 -0.03511385
18.41094170 1.94505739 24.53575834
-0.00005990 -0.00002656 -0.00017340
-0.00964750 -0.03032202 -0.01728570
-8.83576533 2.61623501 1.51848415
-0.00016089 -0.00025580 0.00000675
-0.01826012 -0.00762961 0.00673818
-6.09506433 12.69830403 -9.83324840
0.00044052 -0.00039574 0.00015063
-0.01408308 -0.00720547 0.01067164
1.62268691 13.25384997 -7.62885033
-0.00004636 0.00017269 0.00006402
0.00089258 0.00444486 0.03931316
-10.99642183 10.06883328 -12.52730863
-0.00043028 -0.00019136 0.00004331
-0.02395770 0.04378089 0.03044701
7.87096532 4.03162559 14.60369920
-0.00021426 -0.00042347 0.00017188
0.00743064 0.02535109 -0.02498714
-15.48391644 9.73764238 -7.99813603
0.00037158 0.00036462 0.00054569
-0.00763764 0.00731153 0.00776103
8.72630395 7.79072514 -3.04951332
-0.00028131 0.00001605 0.00007074
-0.01636700 -0.02411318 -0.01554251
14.17109903 -20.70917018 -26.74046619
-0.00003553 -0.00014341 0.00022725
0.00299257 0.01661799 -0.01322535
5.05962798 6.92370469 1.64016088
0.00017821 -0.00024446 0.00040735
-0.00511325 0.01355194 -0.00061389
18.29269616 -5.84758012 -7.55580956
-0.00016425 -0.00001344 0.00013357
0.04780960 -0.02006768 -0.00062532
-1.92239871 -2.07564427 -2.07712383
-0.00019392 -0.00003538 -0.00003259
0.01476508 -0.02247161 0.01165106
2.76856480 -2.07242680 -12.02980858
0.00006837 -0.00018566 -0.00001596
0.03315754 -0.01126777 -0.00558139
19.66147608 9.27923340 -6.17347369
0.00014386 -0.00023923 0.00022511
-0.02994053 0.03070249 0.00189897
-7.58053143 5.77719414 8.86837326
-0.00031351 -0.00003080 -0.00037467
0.00533012 -0.00664245 -0.01037148
-1.80649446 -16.07971879 11.40114874
0.00018557 -0.00004831 -0.00012803
-0.00226904 -0.00138857 0.00519552
7.57503390 -0.45247834 -4.62538993
0.00011028 0.00005913 -0.00037755
0.01730164 -0.01523378 0.06398209
-0.99658853 -12.13570287 0.65239542
-0.00012143 -0.00021384 0.00009963
-0.00363610 -0.00252797 -0.00561011
-19.96830781 -0.66971780 5.28053029
-0.00007474 0.00046539 0.00011049
0.02053350 -0.03477550 0.01433689
-6.40442995 7.88355403 -25.09461741
-0.00024866 0.00027360 -0.00036859
0.02108573 0.01061633 -0.02077042
2.54645458 1.94135074 -1.82574721
-0.00054327 0.00008151 -0.00009929
-0.02125757 -0.01422504 0.01388535
14.74486804 8.24111076 4.12935097
-0.00029786 -0.00011036 0.00005329
0.01980321 0.02709871 0.00543670
-8.29052592 -6.85145713 10.29019982
0.00073557 -0.00080003 0.00004111
0.00241712 0.01121033 0.00763478
-10.10701888 -6.10590634 8.27336914
-0.00036884 0.00113466 0.00034960
-0.00318382 0.00943850 0.00394165
-13.10794497 6.09927927 7.66263858
0.00011611 -0.00030397 -0.00034360
-0.00183199 -0.00222577 -0.00967339
-13.89373761 3.35040531 8.26276420
0.00021782 -0.00087315 0.00057752
0.00654781 0.00428436 0.00909585
-14.88628111 1.65525726 4.56656628
0.00109887 -0.00038391 0.00002059
-0.00066195 0.00059472 -0.01166878
-17.45689436 0.72672121 3.53670397
-0.00059810 -0.00013249 0.00048487
0.03145808 0.01576960 -0.01054037
2.82428261 -21.25881891 12.65672319
-0.00122611 0.00026752 0.00093637
0.01692433 -0.04737892 -0.01456649
3.05109575 -19.43391720 14.88428941
0.00039483 -0.00082028 -0.00023575
0.03232327 0.00519192 0.06888096
9.20923648 19.09248452 0.54477405
-0.00003598 -0.00008877 -0.00172273
-0.00526037 -0.02958854 0.00280674
8.39721026 21.79881118 1.45475537
0.00123124 0.00054355 0.00028650
0.01517143 -0.01240847 -0.01283356
-10.52582682 12.30368885 16.95606182
0.00013316 -0.00134027 0.00026435
-0.00173212 0.01192539 -0.01646035
-11.62208419 14.62300620 15.27181697
0.00057248 0.00043112 0.00064261
0.01088678 -0.04405031 -0.00070916
-5.96311947 -0.11404226 -14.28641436
-0.00026332 0.00018573 -0.00020217
0.00476511 0.01480850 -0.00379126
-6.52142208 0.04345191 -11.52198093
-0.00071220 0.00060943 -0.00074977
-0.00330782 0.02609936 -0.00441245
-8.24708423 8.26374890 -6.42252921
0.00074133 0.00039561 -0.00052343
0.00239659 -0.00220175 -0.00441451
-9.87139178 6.31514520 -5.36124367
0.00039947 0.00078369 0.00016614
-0.02072970 -0.00178543 0.02555590
-7.57168478 -1.82743065 18.08308066
-0.00021584 -0.00101561 -0.00022723
0.00156224 -0.03225893 -0.00250950
-7.32203103 -4.21009797 19.78556723
0.00051724 0.00032315 -0.00079450
-0.00118861 -0.00365078 0.00982149
-24.79677557 -6.45913527 -23.28714293
-0.00053538 0.00015298 -0.00033702
0.00394411 0.00505354 -0.00252539
-21.89584685 -6.52588413 -23.46225514
0.00054889 -0.00159360 -0.00078376
0.00983042 0.01338593 0.00039209
8.63061723 13.10572035 4.83290127
-0.00019011 0.00018607 -0.00037388
0.01473596 -0.00654529 -0.04977560
9.27350746 11.63636995 7.59117306
0.00089152 -0.00011723 -0.00003838
-0.01061304 0.02814140 -0.03222184
23.80700724 27.38450744 -2.50202156
0.00152724 -0.00017749 -0.00012762
-0.00046360 -0.01397552 0.00734340
23.09188261 30.15183215 -1.81404771
-0.00054229 -0.00083529 0.00032236
-0.00442996 0.00254433 0.01476565
11.02440118 -0.91571152 -14.48712287
0.00016915 -0.00023021 0.00024455
-0.03570827 0.02762519 -0.00074110
8.23031387 -1.51192270 -14.61519326
0.00030443 0.00018548 -0.00052148
-0.00295112 -0.00523004 0.00583216
-9.74821577 -0.91865802 14.26497041
0.00020218 -0.00098419 -0.00041770
-0.01351199 -0.01208434 0.01971141
-9.40611460 -2.63844324 11.59510521
0.00006114 -0.00059574 0.00044127
-0.00172408 0.02259322 0.03608631
-3.06473398 -26.41910140 12.09140860
-0.00055586 -0.00005771 -0.00079401
0.01098657 0.00448365 -0.01862642
-3.30588883 -25.78687097 9.12193002
-0.00055419 0.00014971 0.00031421
-0.00088602 0.00084445 -0.00223017
-14.70393667 -2.61036292 -6.31769291
-0.00030357 0.00033057 -0.00016350
0.00303203 0.01545763 0.00403502
-16.15673267 -3.58242500 -8.68750824
0.00016513 -0.00055920 -0.00092703
0.00145987 -0.00092585 0.00892707
-19.00931033 -9.44670150 -18.95461252
0.00017213 -0.00058538 -0.00097001
0.01869573 0.05063314 -0.02197343
-18.21756146 -12.29114954 -18.89062421
0.00018969 0.00078233 -0.00060880
-0.00654650 0.01179114 0.00072479
22.64910501 5.75696214 3.56581082
0.00029746 0.00007676 0.00027570
-0.01079783 0.01958282 0.00762714
20.25471950 6.55249449 5.47869004
-0.00048712 0.00057273 0.00058385
-0.00006163 0.02746282 -0.00178956
18.29473834 -10.88710851 -12.04550117
-0.00002138 0.00044160 0.00102043
-0.01935875 0.00610510 0.04257695
18.42867717 -10.67772769 -14.70142271
0.00064873 0.00029288 -0.00020126
0.00933687 -0.00667307 -0.00808414
-1.94662153 1.08902742 -7.15645375
0.00112719 -0.00129759 0.00085463
-0.02006247 -0.01711289 0.00904822
-4.73067874 0.38385890 -6.14090316
-0.00017978 0.00020230 -0.00015394
0.00397569 0.00536428 -0.00172076
-2.89405502 -4.46234374 -18.40578101
-0.00073098 0.00035056 -0.00053510
0.00144088 -0.00834551 -0.00179415
-3.63430383 -1.66307011 -18.60993389
-0.00001674 0.00064672 -0.00010144
-0.00340180 -0.00046851 0.00653095
13.81720708 17.61188060 -19.89118326
-0.00000524 0.00093253 -0.00060881
-0.00189522 -0.01548331 -0.01811641
12.65794556 15.75801669 -22.00853558
-0.00078258 0.00031949 0.00044063
-0.00435547 0.00504228 0.01255153
-13.79430798 17.16706170 -11.63637461
-0.00049512 -0.00005473 -0.00010521
-0.01435734 0.00518926 -0.03419408
-14.68153531 15.93734526 -14.16835353
0.00004976 0.00146209 -0.00025835
0.00291734 -0.03677519 -0.01742172
1.89224666 15.72730293 6.32851212
0.00098320 -0.00022813 -0.00001937
-0.01409741 0.00219319 0.01370465
-0.01845515 15.86346977 8.91978181
-0.00067391 0.00000898 0.00034096
0.03213615 -0.00660591 -0.03114923
-5.22568114 -8.16283803 2.63603956
0.00220552 0.00012940 -0.00026222
-0.00066751 -0.00776223 0.01111388
-3.19909564 -10.26340029 3.07213797
-0.00072619 0.00030768 0.00051710
0.00157886 0.00165447 -0.00815397
1.27030170 -3.68220894 3.18951606
-0.00024163 -0.00119688 0.00025402
0.02682487 -0.03028834 -0.02031476
3.15325853 -4.43248802 1.02250557
-0.00058228 -0.00086571 0.00119733
0.00118882 -0.00257731 0.00163846
8.27421053 7.82375295 3.58293418
-0.00133173 0.00036368 -0.00038401
-0.01006705 0.00116564 -0.00885849
11.20438348 7.92220230 3.87936792
0.00028534 -0.00005378 -0.00090546
0.01381529 0.00647475 -0.00106229
-7.68899019 -11.28971443 -2.37566945
-0.00017203 0.00037857 -0.00015742
-0.03840907 0.01030971 -0.00325991
-10.32812745 -9.95129517 -1.32390760
-0.00044817 -0.00000590 0.00002588
-0.00902034 0.00306239 0.02342516
5.24417697 -15.70527298 -12.51375289
-0.00017035 -0.00108271 -0.00037125
0.00122230 0.00205152 -0.02035008
2.78424526 -16.72272409 -11.71885578
-0.00035742 0.00004705 0.00132997
-0.00043994 0.02151434 -0.03050587
4.94798312 -4.94031885 -4.58498634
-0.00025765 0.00033672 0.00059920
-0.02673660 -0.00098840 0.00272184
5.07425654 -6.63949695 -2.56089031
0.00059749 0.00032480 -0.00009616
0.02346403 -0.03150462 0.03261301
16.72274515 2.60877019 24.14925823
-0.00023328 0.00012655 0.00060847
0.00867472 0.00057980 0.01051929
19.41937923 3.03054311 25.58219050
0.00016232 0.00011056 -0.00006194
-0.00060130 0.01744330 0.00270499
-9.65627647 0.96886579 1.50692412
-0.00020287 -0.00034169 0.00018357
0.00541037 -0.00453670 -0.00768120
-9.99263249 3.45286746 2.67562583
-0.00021044 -0.00102834 0.00024314
0.00812771 0.01214036 -0.00444103
-5.00103258 13.57794226 -8.61059956
0.00002343 -0.00015381 0.00041263
-0.00749036 0.00407784 -0.00856711
-7.63716270 12.36325595 -8.83650448
0.00064350 -0.00009621 -0.00033269
0.00662448 0.00197483 -0.01204890
1.20556062 11.86900653 -6.48764640
0.00115414 0.00034389 0.00022405
-0.00709787 -0.00753345 -0.01688942
1.84590314 14.45269127 -6.20129195
0.00002831 -0.00084068 0.00001880
0.00999665 0.00297748 -0.01973816
-10.66681498 8.40646518 -12.95218195
-0.00041228 0.00053387 -0.00045576
0.01243855 -0.04579492 -0.01376627
-11.92624672 9.94637083 -10.91328559
0.00043772 0.00040420 0.00048510
0.00857006 0.00462179 -0.01458500
7.74439753 5.30059199 13.20260545
0.00022591 0.00040693 0.00039754
-0.01634170 -0.01932448 0.01893803
9.67451176 3.94495954 14.45708498
-0.00014202 0.00012841 -0.00024774
0.01126996 -0.01106559 0.00747583
-14.15714388 10.68162873 -7.11208167
-0.00050282 0.00127414 -0.00001066
-0.00092715 0.00670703 -0.01168468
-16.97497070 10.84874554 -7.94817299
-0.00013199 -0.00001456 0.00010125
0.01265593 -0.00738720 -0.00112107
9.20764994 9.30426926 -2.18680029
0.00016572 -0.00099566 -0.00048894
-0.00463433 0.01064926 -0.01131246
7.76636206 8.01201336 -4.66986206
-0.00085722 -0.00031540 -0.00085628
0.01489815 0.00823022 0.02873874
14.47346061 -19.01367709 -27.43131712
0.00011106 0.00056668 -0.00004306
-0.00003528 -0.00790914 -0.00190314
13.39330816 -20.33006145 -25.15888863
0.00029476 0.00017484 -0.00030763
-0.00371137 0.00141790 0.01708740
4.98911705 5.18134742 2.21470200
-0.00073093 -0.00122455 0.00013452
0.01063390 -0.00208109 -0.00986007
5.68013909 7.05254526 -0.10120931
-0.00050498 0.00027378 -0.00081437
-0.00022280 -0.00999171 0.01042157
19.91502822 -6.39584680 -6.78840668
0.00011123 0.00188351 -0.00060217
-0.01865176 0.00630104 -0.01097113
17.39026690 -5.10262778 -6.20698686
-0.00061847 0.00005373 -0.00044074
-0.02494560 0.01841732 0.02391985
-2.60944456 -0.82202122 -1.00353901
0.00038952 -0.00053660 -0.00030185
-0.00778460 0.01638333 0.00986145
-2.08850086 -1.46064789 -3.78389952
0.00009372 -0.00120487 0.00055276
-0.00508471 0.00640922 -0.01082952
4.03691577 -3.47557687 -12.25537033
-0.00044686 0.00038754 -0.00047546
-0.02317419 0.01690135 0.00235479
1.08462452 -2.75588696 -11.79581493
0.00019161 -0.00015108 -0.00011278
-0.00658651 -0.00839011 0.00285721
19.71998514 8.47053387 -7.76292575
0.00042402 0.00059748 -0.00015289
-0.00053616 -0.01338625 -0.02735545
20.81606778 8.36297765 -5.21415277
0.00035169 -0.00066053 -0.00005115
0.03503152 -0.02626599 0.02621439
-7.02290369 3.94522551 8.98029812
0.00028961 -0.00154204 -0.00056008
-0.00863353 0.01996783 0.00540264
-7.31768514 6.63419618 10.44706105
0.00108680 -0.00042816 -0.00065700
0.00186882 -0.00599904 0.00303758
-2.19926013 -17.85573463 11.62591513
0.00051378 -0.00030733 -0.00000121
0.00045144 0.00818709 -0.00694770
-2.80095069 -15.42576106 10.00803988
0.00015826 -0.00089142 -0.00003926
-0.00084806 -0.00366696 0.00406493
8.46797398 -0.67203010 -2.87782716
-0.00019737 0.00050830 -0.00082585
-0.01767256 0.01445313 -0.03994942
7.52527048 1.21210086 -5.28418550
-0.00001306 0.00016324 0.00027631
0.00857307 0.02436837 -0.00443922
0.35618624 -11.84354932 1.84880028
-0.00023329 -0.00004868 -0.00012822
0.00724568 -0.00139417 0.00919632
-0.89891241 -10.57899717 -0.35090833
-0.00018993 -0.00024330 0.00050221
-0.00821504 0.00376607 -0.00049336
-19.60342557 -1.58502810 6.95165808
0.00046125 0.00080552 -0.00026099
0.00039909 0.01687877 -0.01979295
-21.22394288 0.43619862 5.86228631
-0.00001382 -0.00034680 0.00046140
-0.02280827 0.02513707 0.00289888
-4.93235471 8.15584337 -26.23975947
-0.00093561 -0.00044671 0.00063391
-0.01661391 0.00486263 -0.00963423
-5.40007738 7.47297199 -23.70197240
0.00101834 0.00072099 -0.00128684
0.00792698 -0.01156452 0.04306828
4.16400479 1.69049881 -2.50403958
-0.00035304 -0.00004984 0.00054987
0.02885044 -0.00287291 -0.01095609
2.04468159 0.21170990 -1.38869793
0.00100954 0.00034006 -0.00029618
-0.00699216 0.01448961 -0.00529502
14.87575013 7.39471991 5.81048729
0.00027318 0.00075082 0.00003410
0.00261055 0.01487195 -0.01173538
15.72256078 9.92304454 4.11154469
-0.00051395 -0.00011611 -0.00002041
-0.02491031 -0.04101060 0.00798413
1.51734212 -11.77160099 -13.87978168
0.00013712 0.00003389 -0.00015413
0.00463485 0.00632014 0.00149693
-13.56393272 14.61822022 22.73741173
-0.00001051 0.00013771 0.00015636
-0.00326866 -0.00156655 -0.00222285
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02434921
0.33185811
442.18429025
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290427258
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3603148729 (a.u.)
total exchange computation time: 2.6556091309 s
-154.1133317977
-931.35290146
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290427258
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3597060319 (a.u.)
total exchange computation time: 2.6551840305 s
-154.1192315883
Anderson extrapolation: theta=1.3448230600 (1.3448230600)
-931.35316979
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290427258
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3587757179 (a.u.)
total exchange computation time: 2.6561939716 s
-154.1280770785
Anderson extrapolation: theta=0.0510870629 (0.0510870629)
-931.35332869
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290427258
ExchangeOperator: bisection time: 1.157 s
total exchange = -52.3586410544 (a.u.)
total exchange computation time: 2.6561021805 s
-154.1292941676
Anderson extrapolation: theta=1.8968712890 (1.8968712890)
-931.35333410
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290427258
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3583619005 (a.u.)
total exchange computation time: 2.6565408707 s
-154.1317717731
Anderson extrapolation: theta=0.2146930932 (0.2146930932)
-931.35333895
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290427258
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3582972509 (a.u.)
total exchange computation time: 2.6561620235 s
-154.1323123688
Anderson extrapolation: theta=1.8895875590 (1.8895875590)
-931.35333965
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290427258
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3581990922 (a.u.)
total exchange computation time: 2.6574008465 s
-154.1331036630
Anderson extrapolation: theta=0.2839884972 (0.2839884972)
-931.35334021
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290427258
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3581954751 (a.u.)
total exchange computation time: 2.6559798717 s
-154.1331040424
Anderson extrapolation: theta=1.3216675841 (1.3216675841)
-931.35334027
-22.636420 -171.813475 -243.709156
-137.604018 457.917501 -804.574009
-160.240438 286.104027 -1048.283165
1098.376123
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0545784884
ExchangeOperator: pair fraction: ispin=0: 0.1290427258
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3582087663 (a.u.)
total exchange computation time: 2.6547410488 s
678.82193211
-1083.79589207
89.69550085
-388.95638474
-174.76028754
78.32013262
551.60419304
0.00000000
-931.35334016
-9.22971697 -5.35137211 9.70900126
0.00001425 0.00014435 0.00015082
0.00914027 -0.02719478 -0.00462899
-13.82145107 5.04609937 8.97416318
0.00014321 -0.00003098 -0.00016573
-0.00273041 -0.00553270 0.00907003
-15.79396344 1.58389153 2.94312896
-0.00011570 -0.00008426 -0.00006352
-0.03187347 -0.01741472 0.03128954
2.45241803 -19.69439472 13.32026086
-0.00013019 0.00000922 0.00014026
-0.05533912 0.04894496 -0.05700499
9.74032227 20.80136611 0.48141996
0.00035712 0.00002648 -0.00014101
-0.01211328 0.03990427 0.00311076
-11.15325853 12.75874292 15.18359648
-0.00020246 0.00012983 0.00002299
-0.00887929 0.03269223 0.01036797
-6.02248375 1.16617894 -12.96203607
0.00003206 -0.00022325 0.00026388
0.00371349 -0.03717306 0.00136224
-8.94869357 6.64351641 -6.84175489
0.00019218 0.00024838 0.00005720
0.01036089 0.00274254 -0.03007509
-7.51092502 -3.72013858 18.04705598
0.00032531 0.00003036 0.00005258
0.00039165 0.02327856 -0.01556648
-23.36692072 -7.56175457 -23.48545696
-0.00024514 -0.00001066 -0.00030896
-0.02030049 -0.01623323 -0.00861475
8.37143684 13.04723280 6.55625193
0.00041893 0.00038336 0.00025499
0.00097359 -0.01805294 0.07681845
23.20672818 28.94760356 -3.15703174
-0.00039094 -0.00040784 0.00037248
-0.00085966 0.00910655 -0.02290885
9.32856823 -0.03597720 -14.61547216
0.00034468 0.00034283 -0.00002539
0.03565431 -0.02041448 -0.00768017
-9.05430573 -1.06272869 12.63703692
-0.00020602 -0.00011362 -0.00036695
0.01686082 -0.01726799 -0.05521680
-2.12181954 -25.92598114 10.49772840
-0.00005223 0.00002559 0.00022220
-0.00575356 -0.00758686 0.00852580
-15.21174142 -4.12547480 -7.21975411
-0.00015412 0.00017300 -0.00008871
-0.00809887 -0.03261442 -0.02814625
-19.40570369 -10.98872456 -18.26357709
-0.00011719 -0.00014612 0.00017153
-0.00758916 -0.06137283 0.01856660
21.24598236 5.33837451 4.65851730
-0.00042294 0.00029510 0.00002102
0.01261795 -0.04184762 -0.00268699
19.26657755 -11.62192863 -13.34509119
0.00083505 0.00008454 0.00013095
-0.00129562 0.00509058 -0.03311537
-3.10137333 -0.29014218 -6.59728417
-0.00041172 -0.00011246 0.00017842
0.02261478 0.01404885 -0.01259090
-3.82980099 -3.18038719 -17.55624635
0.00035138 -0.00008089 -0.00010345
-0.00475353 0.02209034 -0.00050398
14.21277797 16.42001259 -21.26635005
0.00017257 -0.00006207 -0.00012617
0.01113744 0.01063771 0.00838538
-14.64026468 17.50843798 -13.31126473
0.00026498 0.00035663 -0.00016321
0.00348175 0.03719695 0.05547525
1.50676608 15.09035259 8.00974178
-0.00029154 0.00006562 -0.00054135
-0.02132225 0.00076095 0.02210804
-4.44973101 -9.23807479 3.94036275
0.00025251 0.00010095 -0.00016832
-0.00734387 0.00427387 -0.00082835
2.12624872 -5.19137728 2.32105547
0.00003627 0.00035829 -0.00019067
-0.02817317 0.02276480 0.03304522
9.67947726 7.13285729 4.47044679
0.00002113 0.00009161 -0.00009732
-0.00255230 -0.00529670 0.00278017
-9.25543458 -10.20754104 -2.72350052
-0.00000615 -0.00039096 0.00034817
0.04089659 -0.01250739 -0.01097830
3.48612839 -15.59411650 -13.11536309
-0.00015791 0.00006469 -0.00029101
-0.00778152 -0.02862589 0.05333076
3.76677123 -5.71018730 -3.28689780
0.00001749 0.00002531 0.00039474
0.00394176 0.02794260 -0.03359623
18.41000606 1.94454204 24.53309063
-0.00006460 -0.00004174 -0.00018187
-0.00863265 -0.02872316 -0.01564310
-8.83824915 2.61236855 1.51861141
-0.00017025 -0.00026009 0.00001014
-0.01811885 -0.00903795 0.00641998
-6.08851091 12.69234009 -9.83094776
0.00043393 -0.00039919 0.00015574
-0.01151441 -0.00618434 0.00919510
1.62199492 13.25645741 -7.62773834
-0.00004581 0.00017459 0.00008327
0.00125011 0.00295129 0.03551373
-11.00296848 10.06613183 -12.52654159
-0.00044259 -0.00016750 0.00005906
-0.02389391 0.04897747 0.03079499
7.86778002 4.02537136 14.60618102
-0.00021020 -0.00040996 0.00015863
0.00838224 0.02718826 -0.02652472
-15.47837223 9.74313993 -7.98992077
0.00036681 0.00036817 0.00054937
-0.01089413 0.00649783 0.00657343
8.72202112 7.79087284 -3.04851210
-0.00029109 0.00000185 0.00006057
-0.02164050 -0.03108198 -0.02403836
14.17057769 -20.71125727 -26.73710850
-0.00003329 -0.00013384 0.00021895
0.00571713 0.02061973 -0.01902402
5.06228136 6.92009004 1.64626869
0.00017596 -0.00023872 0.00040599
-0.00363421 0.00878684 -0.00464932
18.29041685 -5.84785910 -7.55380848
-0.00014052 -0.00002349 0.00013253
0.04445807 -0.01901189 -0.00341178
-1.92525052 -2.07626165 -2.07756772
-0.00018555 -0.00004877 -0.00002582
0.01777488 -0.02958757 0.01466294
2.76971826 -2.07525521 -12.03006952
0.00008479 -0.00019058 -0.00001870
0.03070737 -0.00784169 -0.00508505
19.66351844 9.27576345 -6.17008970
0.00012902 -0.00022385 0.00022640
-0.02777452 0.02909504 0.00311965
-7.58521349 5.77670656 8.86271316
-0.00031024 -0.00003629 -0.00038028
0.00738361 -0.01472513 -0.01143565
-1.80371963 -16.08044877 11.39924839
0.00018463 -0.00004969 -0.00012486
-0.00139552 -0.00400203 0.00711018
7.57675486 -0.45165018 -4.63080637
0.00011893 0.00005144 -0.00034506
0.01633849 -0.01467922 0.06235597
-0.99842397 -12.13892028 0.65386824
-0.00012346 -0.00021542 0.00009671
-0.00427445 -0.00359179 -0.00573701
-19.96934964 -0.66287114 5.28224291
-0.00006360 0.00044726 0.00011726
0.02277756 -0.03570417 0.01200493
-6.40807857 7.88769896 -25.10022640
-0.00023896 0.00027864 -0.00037793
0.01663407 0.00896919 -0.01553401
2.53822352 1.94251853 -1.82718296
-0.00055349 0.00007509 -0.00009258
-0.01850139 -0.01073722 0.01220888
14.74047654 8.23955990 4.13017129
-0.00028766 -0.00009618 0.00005564
0.01983968 0.02804865 0.00371010
-8.27941836 -6.86311403 10.29105045
0.00073712 -0.00074308 0.00006660
-0.00165605 0.01666666 0.00484063
-10.11264901 -6.08859723 8.27873386
-0.00038383 0.00116955 0.00036181
-0.00415419 0.00764010 0.00203721
-13.10625944 6.09465151 7.65718816
0.00010893 -0.00031328 -0.00038403
-0.00168353 -0.00233154 -0.01011807
-13.89026965 3.33743942 8.27170572
0.00024530 -0.00084857 0.00061638
0.00690293 0.00774593 0.00992559
-14.86981829 1.64951682 4.56651760
0.00109044 -0.00038163 -0.00003398
-0.00346649 0.00052394 -0.01504358
-17.46490188 0.72521709 3.54365405
-0.00046532 -0.00006643 0.00044121
0.03354035 0.01656791 -0.01083029
2.80640964 -21.25625800 12.67032234
-0.00115502 0.00006071 0.00087017
0.01787115 -0.05385440 -0.01783651
3.05800871 -19.44606230 14.88286384
0.00052834 -0.00079806 0.00004912
0.03303181 0.00568693 0.07056748
9.20853556 19.09024625 0.51901912
-0.00005757 -0.00020480 -0.00171038
-0.00530704 -0.02720844 0.00323903
8.41614373 21.80658414 1.45865957
0.00129039 0.00049095 0.00023388
0.01378561 -0.01333895 -0.01292199
-10.52388248 12.28395028 16.95952273
0.00012413 -0.00128817 0.00019255
-0.00268937 0.01357381 -0.01868978
-11.61316343 14.62812315 15.28143437
0.00061674 0.00025020 0.00064001
0.01078084 -0.04451015 -0.00056146
-5.96692321 -0.11080258 -14.28956313
-0.00024382 0.00024646 -0.00021695
0.00477926 0.01491925 -0.00344436
-6.53220644 0.05339318 -11.53336268
-0.00072872 0.00070785 -0.00075738
-0.00477911 0.02207704 0.00068572
-8.23589083 8.26961561 -6.43051598
0.00074959 0.00038328 -0.00054221
0.00164804 -0.00383429 -0.00477576
-9.86603496 6.32684580 -5.35796852
0.00031439 0.00077664 0.00027159
-0.02091880 -0.00166618 0.02606452
-7.57487455 -1.84365325 18.07959530
-0.00020957 -0.00113356 -0.00023732
0.00150903 -0.02548192 -0.00243147
-7.31430885 -4.20536264 19.77395066
0.00051368 0.00030388 -0.00074111
-0.00055586 -0.00578023 0.01631227
-24.80468538 -6.45668569 -23.29227569
-0.00051272 0.00017201 -0.00034804
0.00714909 0.00426068 -0.00286560
-21.88731220 -6.54937795 -23.47399957
0.00059054 -0.00153469 -0.00078207
0.01055734 0.01545286 0.00043637
8.62821706 13.10831079 4.82576773
-0.00013232 0.00015883 -0.00056479
0.01355399 -0.00678810 -0.04367356
9.28655503 11.63547386 7.58960993
0.00084619 -0.00000026 -0.00017037
-0.01157489 0.02911524 -0.03238639
23.82990163 27.38141678 -2.50371080
0.00152314 -0.00023006 -0.00009953
-0.00154279 -0.01175699 0.00640441
23.08361258 30.13938074 -1.80875980
-0.00056066 -0.00082150 0.00038629
-0.00456290 0.00420481 0.01652550
11.02584425 -0.91831812 -14.48347740
0.00002360 -0.00011634 0.00024148
-0.03553946 0.02811238 -0.00075753
8.23478982 -1.50930073 -14.62283679
0.00029303 0.00016628 -0.00049740
-0.00262715 -0.00417208 0.00595452
-9.74559717 -0.93379120 14.25930892
0.00014592 -0.00103228 -0.00033249
-0.01402489 -0.01145461 0.02200083
-9.40525035 -2.64668695 11.60283003
0.00005459 -0.00050426 0.00058608
-0.00148237 0.02218534 0.03479779
-3.07273516 -26.41982964 12.07892761
-0.00051246 -0.00004059 -0.00086366
0.01025571 0.00389737 -0.01546458
-3.31422878 -25.78459939 9.12657486
-0.00055393 0.00015308 0.00030700
0.00100937 0.00080445 -0.00130004
-14.70839734 -2.60493077 -6.32002178
-0.00029190 0.00039292 -0.00014871
0.00268156 0.01506648 0.00320453
-16.15421105 -3.59084134 -8.70114008
0.00017337 -0.00056339 -0.00088636
0.00257391 -0.00112580 0.01097969
-19.00615545 -9.45393067 -18.96983607
0.00024549 -0.00038172 -0.00105729
0.01721349 0.04906218 -0.02074790
-18.21491670 -12.27905330 -18.89973406
0.00016336 0.00082577 -0.00060473
-0.00634333 0.00947251 0.00127156
22.65323597 5.75871356 3.57018004
0.00024953 0.00015609 0.00031025
-0.01266016 0.01925288 0.00928637
20.24741084 6.56192694 5.48739297
-0.00048156 0.00067859 0.00057233
0.00278370 0.02435907 -0.00385000
18.29382445 -10.88029742 -12.02889001
-0.00008861 0.00045719 0.00117580
-0.01355259 0.00152380 0.03347508
18.43869417 -10.67353892 -14.70468927
0.00068930 0.00026289 -0.00022839
0.01052651 -0.00800886 -0.00519662
-1.93032846 1.06903914 -7.14335709
0.00104409 -0.00136440 0.00089083
-0.02061542 -0.01559097 0.00867269
-4.73325364 0.38705781 -6.14326492
-0.00016504 0.00022646 -0.00016025
0.00324248 0.00646202 -0.00137138
-2.90497561 -4.45734113 -18.41386249
-0.00071923 0.00030873 -0.00054799
0.00431027 -0.01213048 -0.00451476
-3.63465910 -1.65338364 -18.61125534
-0.00003116 0.00063866 -0.00007098
-0.00365991 -0.00347609 0.00837748
13.81707037 17.62539402 -19.90087063
-0.00001111 0.00086671 -0.00068485
-0.00097614 -0.01673155 -0.01910115
12.64607333 15.76296356 -22.00154146
-0.00079452 0.00034151 0.00049324
-0.00148845 0.00573571 0.01320009
-13.80217476 17.16639972 -11.63900057
-0.00055182 -0.00003403 -0.00024247
-0.01339484 0.00494360 -0.03299430
-14.68069951 15.95814978 -14.17276264
0.00006131 0.00129863 -0.00033650
0.00273634 -0.04324421 -0.02083527
1.90656274 15.72394815 6.32864155
0.00092487 -0.00021638 0.00003215
-0.01445609 0.00356179 0.01151615
-0.02757905 15.86340207 8.92394166
-0.00053777 -0.00001919 0.00020893
0.03450445 -0.00718437 -0.03347984
-5.19261879 -8.16113489 2.63244676
0.00219679 0.00010400 -0.00022250
-0.00360710 -0.00466907 0.00833267
-3.20994004 -10.25873444 3.07964465
-0.00070774 0.00030433 0.00047777
0.00744950 -0.00329477 -0.01110198
1.26749929 -3.70109025 3.19270392
-0.00013523 -0.00131260 0.00017307
0.02525762 -0.02636037 -0.01931387
3.14456069 -4.44555259 1.04051576
-0.00056083 -0.00086222 0.00118281
0.00931190 0.00428628 -0.00874799
8.25392603 7.82924392 3.57690253
-0.00135546 0.00035994 -0.00041004
-0.00154475 -0.00300001 -0.00388125
11.20908693 7.92159403 3.86575350
0.00033532 -0.00003007 -0.00090763
0.01064857 0.00512842 -0.00000112
-7.69274762 -11.28371996 -2.37813063
-0.00032403 0.00041692 -0.00016794
-0.03599447 0.00846174 -0.00188787
-10.33512638 -9.95128982 -1.32280151
-0.00048321 0.00000616 0.00012046
-0.00813517 0.00284116 0.02287237
5.24165910 -15.72145081 -12.51994523
-0.00016446 -0.00107353 -0.00045524
0.00166546 0.00244565 -0.02076486
2.77887049 -16.72135911 -11.69984107
-0.00035540 0.00014176 0.00119561
0.00142797 0.02484831 -0.03526380
4.94329912 -4.93529836 -4.57591490
-0.00036622 0.00033371 0.00060822
-0.02641050 -0.00048534 0.00169274
5.08393798 -6.63559041 -2.56133338
0.00069131 0.00019737 0.00003624
0.02246058 -0.03087103 0.03220002
16.71951170 2.61068614 24.15870756
-0.00019763 0.00012832 0.00065070
0.00877778 0.00028870 0.01015533
19.42179563 3.03273602 25.58134431
0.00015769 0.00017908 -0.00005334
-0.00166478 0.01609649 0.00150590
-9.65915367 0.96360138 1.50944235
-0.00017931 -0.00035978 0.00015103
0.00611800 -0.00431789 -0.00824700
-9.99554007 3.43781445 2.67913684
-0.00017867 -0.00097597 0.00022691
0.00742619 0.01349288 -0.00350400
-5.00091064 13.57576004 -8.60467265
-0.00000608 -0.00013692 0.00037742
-0.00695429 0.00419312 -0.00866720
-7.62730716 12.36187331 -8.84186406
0.00066454 -0.00009013 -0.00037860
0.00367201 0.00100134 -0.01042336
1.22265526 11.87393405 -6.48480322
0.00112314 0.00030766 0.00015677
-0.00808075 -0.01020067 -0.01604570
1.84663404 14.44017236 -6.20161473
0.00007021 -0.00082001 -0.00005597
0.01051755 0.00713866 -0.01686581
-10.67261795 8.41306997 -12.95944013
-0.00036009 0.00033779 -0.00051339
0.01310718 -0.05019075 -0.01444713
-11.91941835 9.95257543 -10.90645606
0.00047187 0.00042150 0.00042600
0.00814742 0.00384701 -0.01434527
7.74728544 5.30610381 13.20914885
0.00015794 0.00032581 0.00047686
-0.01693001 -0.02038382 0.01988984
9.67272687 3.94654654 14.45359795
-0.00009676 0.00008217 -0.00021622
0.01088136 -0.01156808 0.00795316
-14.16471456 10.70094634 -7.11259966
-0.00050127 0.00130398 -0.00005534
0.00168274 0.00790051 -0.01018405
-16.97656277 10.84830079 -7.94668858
-0.00007904 -0.00004619 0.00009630
0.01326399 -0.00809522 -0.00130379
9.20999369 9.28966066 -2.19448098
0.00015111 -0.00093751 -0.00052760
-0.00251784 0.01781648 -0.00761188
7.75396030 8.00753453 -4.68182556
-0.00079005 -0.00028190 -0.00072936
0.01797962 0.00817059 0.03338790
14.47512542 -19.00541931 -27.43202133
0.00010917 0.00052480 -0.00004738
-0.00088727 -0.01258951 -0.00021114
13.39761583 -20.32739546 -25.16297943
0.00027576 0.00018196 -0.00022980
-0.00558779 0.00206829 0.02100817
4.97847888 5.16291534 2.21641761
-0.00068613 -0.00122115 0.00008994
0.01129603 0.00374574 -0.01195997
5.67255752 7.05634582 -0.11310549
-0.00050948 0.00023114 -0.00075955
-0.00197723 -0.01088469 0.01641137
19.91612509 -6.36740110 -6.79777540
0.00004146 0.00190617 -0.00064251
-0.01549880 0.00479060 -0.00877838
17.38022543 -5.10125740 -6.21286502
-0.00072043 0.00012934 -0.00034168
-0.02496649 0.01859244 0.02457305
-2.60384037 -0.82956812 -1.00776461
0.00035293 -0.00046052 -0.00025503
-0.01012342 0.02085529 0.01306025
-2.08725093 -1.47852447 -3.77594000
0.00007097 -0.00117326 0.00049603
-0.00604728 0.00905940 -0.01693978
4.02950275 -3.46924580 -12.26243014
-0.00053576 0.00045008 -0.00046634
-0.02034085 0.01371139 0.00211134
1.08729683 -2.75841022 -11.79741907
0.00016376 -0.00018565 -0.00010116
-0.00704607 -0.00853471 0.00283303
19.72632898 8.47908586 -7.76605738
0.00042184 0.00054340 -0.00026370
-0.00052883 -0.01308325 -0.02688551
20.82241663 8.35226482 -5.21411673
0.00049036 -0.00076478 0.00005218
0.03284548 -0.02476493 0.02436660
-7.01882407 3.92270676 8.97206252
0.00025016 -0.00144652 -0.00053887
-0.01067994 0.02679152 0.00497982
-7.30132582 6.62758990 10.43729919
0.00109467 -0.00045057 -0.00064141
0.00198109 -0.00496755 0.00459037
-2.19153960 -17.86009370 11.62568406
0.00051647 -0.00027134 -0.00002916
0.00086604 0.00943055 -0.00673122
-2.79860273 -15.43924476 10.00757556
0.00015221 -0.00090378 -0.00002681
-0.00211506 -0.00238259 0.00202638
8.46447193 -0.66396264 -2.89143910
-0.00026709 0.00056572 -0.00098427
-0.01645686 0.01365127 -0.03759665
7.52533732 1.21529617 -5.28017685
0.00002152 0.00026385 0.00025686
0.00835297 0.02487906 -0.00508201
0.35290896 -11.84432223 1.84715874
-0.00020208 -0.00005485 -0.00008839
0.00802944 -0.00162745 0.01030263
-0.90201314 -10.58253131 -0.34339034
-0.00022399 -0.00022548 0.00049752
-0.00845375 0.00496011 -0.00179903
-19.59649463 -1.57242807 6.94713665
0.00046366 0.00087178 -0.00033905
0.00078150 0.01555413 -0.01841800
-21.22484906 0.43176694 5.86929607
-0.00011224 -0.00023948 0.00047499
-0.02537139 0.02739433 0.00375593
-4.94689795 8.14929173 -26.23054603
-0.00099264 -0.00042368 0.00058100
-0.01130486 0.00640837 -0.01626456
-5.38455942 7.48343248 -23.71995518
0.00104951 0.00067314 -0.00110740
0.00733322 -0.01185806 0.04476670
4.15959325 1.68966317 -2.49612722
-0.00023434 -0.00005914 0.00050487
0.02925254 -0.00168129 -0.01107290
2.05961040 0.21725482 -1.39330289
0.00097531 0.00038934 -0.00031393
-0.00976225 0.00963292 -0.00339391
14.87992778 7.40643790 5.81063912
0.00028294 0.00080788 -0.00000971
0.00216970 0.01305815 -0.00970990
15.71408815 9.92004615 4.11148323
-0.00061509 -0.00028206 0.00001118
-0.02459846 -0.04022336 0.00747812
1.51941129 -11.77107571 -13.88208962
0.00013881 0.00003616 -0.00015360
0.00482252 0.00635780 0.00148112
-13.56409606 14.62028320 22.73975326
-0.00001127 0.00013736 0.00015582
-0.00329603 -0.00149167 -0.00241124
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02430112
0.32903903
438.42801642
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1295186587
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3668328221 (a.u.)
total exchange computation time: 2.5839228630 s
-154.1327632272
-931.35175275
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1295186587
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3661205677 (a.u.)
total exchange computation time: 2.5831949711 s
-154.1394005422
Anderson extrapolation: theta=1.3550561251 (1.3550561251)
-931.35202689
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1295186587
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3650268254 (a.u.)
total exchange computation time: 2.5839378834 s
-154.1493351422
Anderson extrapolation: theta=0.0562125698 (0.0562125698)
-931.35219233
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1295186587
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3648658044 (a.u.)
total exchange computation time: 2.5840380192 s
-154.1506712604
Anderson extrapolation: theta=2.0567311239 (2.0000000000)
-931.35219908
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1295186587
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3645185971 (a.u.)
total exchange computation time: 2.5833249092 s
-154.1534738766
Anderson extrapolation: theta=0.2645645196 (0.2645645196)
-931.35220626
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1295186587
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3644255306 (a.u.)
total exchange computation time: 2.5850138664 s
-154.1541576611
Anderson extrapolation: theta=1.6431998948 (1.6431998948)
-931.35220761
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1295186587
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3643022403 (a.u.)
total exchange computation time: 2.5825309753 s
-154.1549901820
Anderson extrapolation: theta=0.3191412341 (0.3191412341)
-931.35220878
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1295186587
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3642928972 (a.u.)
total exchange computation time: 2.5821111202 s
-154.1549778570
Anderson extrapolation: theta=1.1496723351 (1.1496723351)
-931.35220900
-22.634651 -171.827775 -243.708985
-137.587275 457.894169 -804.612185
-160.221927 286.066395 -1048.321170
1098.399892
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0546511628
ExchangeOperator: pair fraction: ispin=0: 0.1295186587
ExchangeOperator: bisection time: 1.150 s
total exchange = -52.3643046391 (a.u.)
total exchange computation time: 2.5822529793 s
678.90755217
-1083.98110607
89.69073706
-388.82985776
-174.77522976
78.42446778
551.60419304
0.00000000
-931.35220900
-9.22946790 -5.34931173 9.71124574
0.00002020 0.00012953 0.00014959
0.01396346 -0.03044538 -0.00015129
-13.81931346 5.04561338 8.97171222
0.00014165 -0.00003457 -0.00016115
-0.00334304 -0.00845835 0.00874139
-15.79582194 1.58256041 2.94229680
-0.00013179 -0.00009328 -0.00004660
-0.03069315 -0.01766879 0.03451532
2.45025169 -19.69406763 13.32214492
-0.00015850 0.00003551 0.00011210
-0.05473315 0.05327921 -0.05250893
9.74563230 20.80191731 0.47931673
0.00035115 0.00004619 -0.00013952
-0.01107698 0.03671981 0.00268980
-11.15632967 12.76081650 15.18398131
-0.00020665 0.00014616 0.00002889
-0.00740886 0.03079325 0.01259262
-6.02198854 1.16268675 -12.95807255
0.00003442 -0.00024111 0.00026307
0.00544936 -0.03227714 -0.00453162
-8.94577095 6.64725270 -6.84101283
0.00019750 0.00025003 0.00004194
0.01032865 0.00367839 -0.02929202
-7.50604379 -3.71959342 18.04778467
0.00032534 0.00004081 0.00004298
-0.00028591 0.01738214 -0.02176172
-23.37067619 -7.56197709 -23.49012464
-0.00025633 -0.00001921 -0.00031328
-0.02318511 -0.01700036 -0.00815941
8.37772447 13.05291361 6.56037311
0.00041995 0.00037404 0.00029234
0.00299484 -0.01821308 0.06840387
23.20086082 28.94152108 -3.15153286
-0.00039104 -0.00040413 0.00036065
0.00045639 0.00532003 -0.02308733
9.33387602 -0.03091346 -14.61588265
0.00036261 0.00033199 -0.00002940
0.03404674 -0.02173132 -0.00789051
-9.05733103 -1.06449959 12.63131973
-0.00019742 -0.00012232 -0.00039514
0.01659346 -0.01658392 -0.05442863
-2.12262520 -25.92562650 10.50109428
-0.00005540 0.00002190 0.00022538
-0.00656189 -0.00679185 0.00383882
-15.21408445 -4.12300564 -7.22119326
-0.00015843 0.00015643 -0.00010341
-0.00866035 -0.03180285 -0.02901779
-19.40749078 -10.99115316 -18.26093260
-0.00012066 -0.00017598 0.00018037
-0.00592308 -0.05472542 0.01582660
21.23968689 5.34263966 4.65882225
-0.00041685 0.00027455 0.00001988
0.01107615 -0.03808045 -0.00175845
19.27909828 -11.62064083 -13.34325462
0.00083246 0.00008864 0.00011562
-0.00875341 0.01082851 -0.02651241
-3.10746183 -0.29177482 -6.59465643
-0.00039987 -0.00010596 0.00017196
0.02346110 0.01119646 -0.01254474
-3.82454860 -3.18151531 -17.55780005
0.00034834 -0.00006785 -0.00010348
-0.00706096 0.02861759 0.00039006
14.21540943 16.41912257 -21.26821021
0.00017734 -0.00005651 -0.00012190
0.00742030 0.01097101 0.00820784
-14.63627651 17.51393094 -13.31349886
0.00026651 0.00037710 -0.00013455
0.00243901 0.04240251 0.05595664
1.50231069 15.09133977 8.00170686
-0.00030289 0.00006572 -0.00052889
-0.02279715 -0.00034060 0.02634242
-4.44597166 -9.23654402 3.93783480
0.00024799 0.00010360 -0.00016713
-0.01023010 0.00603603 0.00542515
2.12668412 -5.18591505 2.31832286
0.00002009 0.00036691 -0.00017131
-0.03476484 0.01075187 0.04226435
9.67978443 7.13421108 4.46899767
0.00001861 0.00009020 -0.00009735
-0.00727263 -0.00021373 -0.00287348
-9.25536912 -10.21345374 -2.71832036
0.00001354 -0.00039662 0.00034239
0.03570115 -0.00947069 -0.01148445
3.48372968 -15.59325664 -13.11952255
-0.00016235 0.00004918 -0.00026252
-0.00947381 -0.03166660 0.05747671
3.76704881 -5.70969981 -3.28110630
0.00001995 0.00003906 0.00037813
0.00560933 0.02552960 -0.03097397
18.40900382 1.94380510 24.53030224
-0.00006868 -0.00005605 -0.00018942
-0.00723729 -0.02692456 -0.01372099
-8.84087275 2.60843237 1.51878820
-0.00017950 -0.00026509 0.00001333
-0.01787273 -0.01039820 0.00601933
-6.08204633 12.68632845 -9.82857618
0.00042873 -0.00040211 0.00016001
-0.00869983 -0.00519160 0.00739501
1.62131258 13.25908761 -7.62635237
-0.00004509 0.00017567 0.00010043
0.00154523 0.00125694 0.03124104
-11.00969946 10.06380822 -12.52553698
-0.00045466 -0.00014159 0.00007470
-0.02304139 0.05177781 0.03005966
7.86465938 4.01932688 14.60845822
-0.00020555 -0.00039565 0.00014477
0.00970382 0.02846394 -0.02739875
-15.47291206 9.74868761 -7.98165479
0.00036049 0.00037128 0.00055245
-0.01368241 0.00558445 0.00540504
8.71757133 7.79078074 -3.04769633
-0.00030342 -0.00001590 0.00004633
-0.02632392 -0.03796394 -0.03131021
14.17010045 -20.71318529 -26.73389757
-0.00002975 -0.00012232 0.00020789
0.00802438 0.02416037 -0.02399537
5.06490671 6.91654317 1.65234063
0.00017439 -0.00023535 0.00040265
-0.00246611 0.00429017 -0.00833408
18.28848051 -5.84828475 -7.55183371
-0.00011888 -0.00003282 0.00013029
0.03968472 -0.01727543 -0.00527573
-1.92796521 -2.07710728 -2.07789849
-0.00017573 -0.00006561 -0.00001746
0.02040124 -0.03589774 0.01786150
2.77110861 -2.07814412 -12.03036969
0.00009971 -0.00019362 -0.00002113
0.02731116 -0.00400713 -0.00435493
19.66534653 9.27251797 -6.16668164
0.00011560 -0.00020967 0.00022831
-0.02440864 0.02604576 0.00428717
-7.58983859 5.77610538 8.85696484
-0.00030600 -0.00004562 -0.00038639
0.00910861 -0.02153778 -0.01232422
-1.80095557 -16.08120962 11.39740289
0.00018415 -0.00005234 -0.00012072
-0.00046250 -0.00628666 0.00898294
7.57860186 -0.45093527 -4.63574175
0.00012696 0.00004433 -0.00031373
0.01489487 -0.01295353 0.05947720
-1.00029239 -12.14216539 0.65529679
-0.00012576 -0.00021751 0.00009378
-0.00465222 -0.00456506 -0.00565101
-19.97021575 -0.65629992 5.28404815
-0.00005162 0.00042899 0.00012284
0.02379393 -0.03536855 0.00968902
-6.41159887 7.89191309 -25.10595524
-0.00023145 0.00028271 -0.00038412
0.01257596 0.00686389 -0.00852747
2.52984974 1.94360349 -1.82852453
-0.00056200 0.00007054 -0.00008687
-0.01457084 -0.00695783 0.00997707
14.73623810 8.23822542 4.13102024
-0.00027759 -0.00008170 0.00005705
0.01935510 0.02824620 0.00177979
-8.26841229 -6.87374949 10.29219774
0.00072269 -0.00066512 0.00008108
-0.00540691 0.02149294 0.00225120
-10.11853374 -6.07081989 8.28422343
-0.00040282 0.00119696 0.00036613
-0.00514202 0.00577606 0.00007864
-13.10467709 6.08988086 7.65111763
0.00010218 -0.00032321 -0.00042594
-0.00161957 -0.00252962 -0.01039650
-13.88637863 3.32494824 8.28125554
0.00027414 -0.00081052 0.00065826
0.00721694 0.01087837 0.01057626
-14.85356792 1.64380849 4.56554694
0.00107097 -0.00037953 -0.00010137
-0.00606210 0.00050163 -0.01794640
-17.47085384 0.72472835 3.54994037
-0.00032540 0.00000222 0.00039672
0.03495077 0.01703617 -0.01094765
2.78963193 -21.25699762 12.68282836
-0.00108137 -0.00016768 0.00079284
0.01818313 -0.05794456 -0.02001620
3.06694606 -19.45785886 14.88576307
0.00066160 -0.00077517 0.00033264
0.03219721 0.00551402 0.06821838
9.20750938 19.08634047 0.49346269
-0.00007857 -0.00030864 -0.00169618
-0.00497429 -0.02362316 0.00371379
8.43592207 21.81353960 1.46177183
0.00134329 0.00043501 0.00018135
0.01210830 -0.01404272 -0.01279090
-10.52210297 12.26504360 16.96183822
0.00011139 -0.00122958 0.00011229
-0.00354412 0.01510757 -0.02059617
-11.60358196 14.63051224 15.29101737
0.00066004 0.00006952 0.00063801
0.01041283 -0.04393579 -0.00042117
-5.97043405 -0.10664857 -14.29292299
-0.00022429 0.00030711 -0.00023053
0.00478157 0.01477215 -0.00319899
-6.54328370 0.06468747 -11.54470241
-0.00075181 0.00078883 -0.00074333
-0.00652230 0.01756440 0.00619102
-8.22459643 8.27524734 -6.43879544
0.00075484 0.00036447 -0.00056231
0.00091890 -0.00537202 -0.00506315
-9.86196018 6.33844429 -5.35309596
0.00023007 0.00077066 0.00037669
-0.02035638 -0.00125747 0.02538046
-7.57797183 -1.86143755 18.07596093
-0.00020371 -0.00122143 -0.00024713
0.00136016 -0.01752817 -0.00236652
-7.30662073 -4.20098156 19.76333379
0.00051269 0.00027612 -0.00066195
0.00007503 -0.00780910 0.02244114
-24.81215706 -6.45397500 -23.29758408
-0.00047735 0.00018795 -0.00036041
0.01016316 0.00354473 -0.00319153
-21.87813054 -6.57192473 -23.48571726
0.00063374 -0.00146850 -0.00078028
0.01058969 0.01694466 0.00043916
8.62664756 13.11048521 4.81595760
-0.00007985 0.00013068 -0.00072675
0.01213178 -0.00699044 -0.03560898
9.29889323 11.63636214 7.58606196
0.00079760 0.00011951 -0.00030198
-0.01221189 0.02951218 -0.03203696
23.85270147 27.37760557 -2.50500753
0.00151398 -0.00027247 -0.00007575
-0.00294195 -0.00900144 0.00523933
23.07506291 30.12718702 -1.80245911
-0.00057954 -0.00080163 0.00045660
-0.00468179 0.00552525 0.01789429
11.02510924 -0.91920182 -14.47987835
-0.00011923 -0.00000155 0.00023853
-0.03437938 0.02807846 -0.00068874
8.23910477 -1.50693444 -14.63011539
0.00028316 0.00015165 -0.00047279
-0.00220613 -0.00298587 0.00609674
-9.74383811 -0.94962639 14.25499577
0.00008870 -0.00107785 -0.00024035
-0.01398726 -0.01085334 0.02310374
-9.40447695 -2.65357100 11.61268748
0.00004880 -0.00041578 0.00072449
-0.00135119 0.02112356 0.03295712
-3.08010781 -26.42031903 12.06549886
-0.00047266 -0.00002617 -0.00091952
0.00922836 0.00315913 -0.01188094
-3.32250687 -25.78227850 9.13114004
-0.00054590 0.00015630 0.00030358
0.00292332 0.00077286 -0.00037488
-14.71269366 -2.59857526 -6.32215425
-0.00028197 0.00045260 -0.00013783
0.00217990 0.01414494 0.00212420
-16.15153169 -3.59932667 -8.71409901
0.00018578 -0.00056820 -0.00083792
0.00350048 -0.00123146 0.01273281
-19.00194562 -9.45815302 -18.98633117
0.00031140 -0.00018937 -0.00113708
0.01505051 0.04509291 -0.01831165
-18.21266069 -12.26637653 -18.90876599
0.00013839 0.00085924 -0.00059865
-0.00587885 0.00691131 0.00170391
22.65659104 5.76164492 3.57511838
0.00019462 0.00023406 0.00035103
-0.01422122 0.01891376 0.01067350
20.24027278 6.57285227 5.49585996
-0.00046394 0.00077091 0.00055195
0.00583859 0.02083224 -0.00612804
18.29207997 -10.87339295 -12.01022729
-0.00013190 0.00045400 0.00129338
-0.00763602 -0.00308111 0.02408297
18.44935631 -10.66984097 -14.70827430
0.00073436 0.00022783 -0.00024396
0.01152714 -0.00915398 -0.00242484
-1.91529884 1.04809535 -7.12972893
0.00095969 -0.00142413 0.00092511
-0.02069902 -0.01364761 0.00811060
-4.73562983 0.39065274 -6.14571073
-0.00015323 0.00025499 -0.00016513
0.00253803 0.00750399 -0.00101762
-2.91563204 -4.45308196 -18.42222067
-0.00069638 0.00025214 -0.00057173
0.00687896 -0.01557026 -0.00710442
-3.63523867 -1.64391020 -18.61206336
-0.00004647 0.00061882 -0.00003347
-0.00383387 -0.00623744 0.00998442
13.81687383 17.63788203 -19.91172863
-0.00001338 0.00079673 -0.00076379
-0.00013657 -0.01752817 -0.01954184
12.63410987 15.76826194 -21.99373835
-0.00079478 0.00036613 0.00054824
0.00136288 0.00631587 0.01372208
-13.81086246 17.16604071 -11.64364862
-0.00060372 -0.00001468 -0.00037297
-0.01201311 0.00452973 -0.03088759
-14.67969602 15.97630403 -14.17844866
0.00007220 0.00111198 -0.00042699
0.00259355 -0.04812019 -0.02345770
1.91999286 15.72081167 6.32947675
0.00086545 -0.00019897 0.00007435
-0.01463429 0.00495750 0.00913938
-0.03458831 15.86289407 8.92604966
-0.00039352 -0.00004907 0.00006848
0.03610889 -0.00744228 -0.03527206
-5.15977751 -8.15971790 2.62936465
0.00217613 0.00009168 -0.00019462
-0.00650454 -0.00136590 0.00531569
-3.22032790 -10.25427052 3.08647093
-0.00066533 0.00028048 0.00042638
0.01331129 -0.00838007 -0.01405045
1.26624481 -3.72158708 3.19470811
-0.00003653 -0.00141046 0.00009752
0.02305866 -0.02153921 -0.01766626
3.13643355 -4.45835447 1.05798982
-0.00050500 -0.00083019 0.00112463
0.01801978 0.01139134 -0.01973038
8.23354685 7.83455103 3.57063302
-0.00134536 0.00033974 -0.00041652
0.00648654 -0.00688615 0.00070927
11.21444300 7.92130007 3.85213901
0.00037185 -0.00001212 -0.00090516
0.00723300 0.00365890 0.00121073
-7.69871101 -11.27720691 -2.38070751
-0.00046438 0.00044672 -0.00017253
-0.03270941 0.00612514 -0.00036303
-10.34262388 -9.95111033 -1.32029365
-0.00051340 0.00001705 0.00021113
-0.00663914 0.00249085 0.02150712
5.23924330 -15.73747875 -12.52741017
-0.00015665 -0.00106287 -0.00054070
0.00215384 0.00277171 -0.02106758
2.77358323 -16.71847128 -11.68298755
-0.00034654 0.00024849 0.00104365
0.00290788 0.02739493 -0.03911972
4.93699651 -4.93030761 -4.56673971
-0.00047265 0.00033297 0.00061260
-0.02568700 0.00012560 0.00045138
5.09499594 -6.63357583 -2.55980304
0.00077822 0.00007477 0.00016510
0.02008095 -0.02914307 0.03087591
16.71681621 2.61261979 24.16877926
-0.00016201 0.00012899 0.00069126
0.00865666 0.00003923 0.00969645
19.42411002 3.03591542 25.58059041
0.00014841 0.00024157 -0.00005006
-0.00287860 0.01449192 0.00009661
-9.66165591 0.95807234 1.51145514
-0.00015301 -0.00037691 0.00011632
0.00675848 -0.00406475 -0.00874554
-9.99799252 3.42358836 2.68243311
-0.00014990 -0.00091826 0.00021456
0.00665790 0.01475495 -0.00254201
-5.00121490 13.57383480 -8.59927693
-0.00003313 -0.00011935 0.00034211
-0.00628793 0.00440643 -0.00861662
-7.61722657 12.36055203 -8.84786246
0.00067287 -0.00008820 -0.00041750
0.00040577 -0.00005595 -0.00861761
1.23925467 11.87823640 -6.48294342
0.00108819 0.00026064 0.00009312
-0.00902405 -0.01281461 -0.01511016
1.84800953 14.42809095 -6.20297116
0.00011426 -0.00078205 -0.00011819
0.01104448 0.01144359 -0.01358951
-10.67761763 8.41659877 -12.96758373
-0.00030617 0.00012875 -0.00057243
0.01328640 -0.05213403 -0.01445350
-11.91209066 9.95901580 -10.90050569
0.00050378 0.00043548 0.00036882
0.00747168 0.00299697 -0.01364358
7.74913578 5.31036638 13.21691123
0.00008764 0.00024138 0.00055896
-0.01748440 -0.02094838 0.02029880
9.67160885 3.94742458 14.45059834
-0.00005384 0.00003408 -0.00018284
0.01013064 -0.01197344 0.00838544
-14.17218211 10.72074814 -7.11374179
-0.00048920 0.00133855 -0.00009378
0.00422570 0.00902294 -0.00863292
-16.97734194 10.84735992 -7.94528407
-0.00002443 -0.00008027 0.00009075
0.01347047 -0.00858933 -0.00141324
9.21218312 9.27614396 -2.20262817
0.00014531 -0.00085040 -0.00055142
-0.00032123 0.02482278 -0.00405010
7.74266045 8.00355645 -4.69174285
-0.00071223 -0.00024819 -0.00058779
0.02011435 0.00833075 0.03591236
14.47673585 -18.99793310 -27.43273849
0.00010396 0.00046496 -0.00004516
-0.00166457 -0.01670310 0.00129788
13.40158104 -20.32460272 -25.16578272
0.00024980 0.00019155 -0.00013730
-0.00712174 0.00262622 0.02427324
4.96853300 5.14471283 2.21740023
-0.00063861 -0.00119472 0.00003737
0.01196738 0.00919126 -0.01377332
5.66485477 7.05947931 -0.12399589
-0.00052056 0.00018507 -0.00068157
-0.00344871 -0.01166350 0.02176177
19.91627211 -6.33866180 -6.80768211
-0.00001424 0.00192258 -0.00067339
-0.01176847 0.00324175 -0.00633404
17.36865386 -5.09874756 -6.21723718
-0.00082078 0.00020431 -0.00024233
-0.02415301 0.01810330 0.02405869
-2.59885660 -0.83583688 -1.01118980
0.00030753 -0.00036742 -0.00019619
-0.01209999 0.02472014 0.01574064
-2.08637162 -1.49584583 -3.76901866
0.00004441 -0.00113128 0.00041504
-0.00695564 0.01149392 -0.02270703
4.02084312 -3.46207443 -12.26936056
-0.00061181 0.00049834 -0.00045849
-0.01689094 0.00991097 0.00173429
1.08953731 -2.76145654 -11.79884959
0.00013471 -0.00022041 -0.00008974
-0.00717340 -0.00848170 0.00275393
19.73264042 8.48683602 -7.77083673
0.00041971 0.00049152 -0.00037032
-0.00051413 -0.01231380 -0.02530396
20.83077845 8.34003424 -5.21258736
0.00061756 -0.00086095 0.00014584
0.02942257 -0.02231130 0.02147881
-7.01539897 3.90182997 8.96413211
0.00020304 -0.00132552 -0.00051927
-0.01238315 0.03243894 0.00461263
-7.28484508 6.62067917 10.42781865
0.00110296 -0.00046895 -0.00061995
0.00207732 -0.00403273 0.00591361
-2.18376599 -17.86387481 11.62504046
0.00052076 -0.00023096 -0.00005606
0.00123292 0.01033625 -0.00643696
-2.79638440 -15.45287448 10.00723543
0.00014096 -0.00091085 -0.00002278
-0.00339290 -0.00107739 -0.00004917
8.45996130 -0.65505854 -2.90735519
-0.00033088 0.00061953 -0.00113119
-0.01477026 0.01269053 -0.03432479
7.52591608 1.22001622 -5.27647966
0.00005521 0.00036452 0.00023541
0.00813632 0.02440200 -0.00541947
0.35012376 -11.84519487 1.84614861
-0.00016823 -0.00006200 -0.00004460
0.00854055 -0.00187063 0.01113027
-0.90563196 -10.58576146 -0.33598261
-0.00025897 -0.00020292 0.00048766
-0.00866995 0.00608241 -0.00302755
-19.58951580 -1.55887480 6.94148645
0.00046783 0.00093212 -0.00041059
0.00125973 0.01398448 -0.01659994
-21.22731015 0.42901416 5.87653602
-0.00021884 -0.00012508 0.00049111
-0.02680856 0.02860640 0.00413505
-4.96213402 8.14313283 -26.22232938
-0.00102681 -0.00039438 0.00050052
-0.00541804 0.00793545 -0.02313323
-5.36859203 7.49316623 -23.73519438
0.00107634 0.00062506 -0.00092418
0.00579933 -0.01167902 0.04492056
4.15697448 1.68872449 -2.48889348
-0.00011648 -0.00006329 0.00046039
0.02844195 -0.00034997 -0.01069837
2.07394091 0.22339009 -1.39811586
0.00092980 0.00041786 -0.00032376
-0.01251541 0.00432615 -0.00141571
14.88423839 7.41895618 5.81019586
0.00029094 0.00085716 -0.00004467
0.00174313 0.01106692 -0.00739950
15.70410798 9.91458263 4.11188007
-0.00071387 -0.00044287 0.00004054
-0.02375541 -0.03849359 0.00689453
1.52150635 -11.77051629 -13.88438962
0.00014057 0.00003844 -0.00015307
0.00500884 0.00638524 0.00149275
-13.56427087 14.62234098 22.74208639
-0.00001204 0.00013702 0.00015524
-0.00333156 -0.00142849 -0.00256964
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02475081
0.32745819
436.32162474
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547965116
ExchangeOperator: pair fraction: ispin=0: 0.1299513250
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3717116456 (a.u.)
total exchange computation time: 2.6310489178 s
-154.1497860911
-931.35151142
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547965116
ExchangeOperator: pair fraction: ispin=0: 0.1299513250
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3709929523 (a.u.)
total exchange computation time: 2.6293001175 s
-154.1567210820
Anderson extrapolation: theta=1.3640470413 (1.3640470413)
-931.35178529
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547965116
ExchangeOperator: pair fraction: ispin=0: 0.1299513250
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3699172973 (a.u.)
total exchange computation time: 2.6286568642 s
-154.1669626439
Anderson extrapolation: theta=0.0596490764 (0.0596490764)
-931.35195271
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547965116
ExchangeOperator: pair fraction: ispin=0: 0.1299513250
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3697818474 (a.u.)
total exchange computation time: 2.6283471584 s
-154.1682175142
Anderson extrapolation: theta=2.1285962401 (2.0000000000)
-931.35196027
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547965116
ExchangeOperator: pair fraction: ispin=0: 0.1299513250
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3695000320 (a.u.)
total exchange computation time: 2.6309819221 s
-154.1707982001
Anderson extrapolation: theta=0.3043068606 (0.3043068606)
-931.35196896
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547965116
ExchangeOperator: pair fraction: ispin=0: 0.1299513250
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3694240763 (a.u.)
total exchange computation time: 2.6288549900 s
-154.1714742676
Anderson extrapolation: theta=1.4231774085 (1.4231774085)
-931.35197082
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547965116
ExchangeOperator: pair fraction: ispin=0: 0.1299513250
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3693473179 (a.u.)
total exchange computation time: 2.6290450096 s
-154.1721417970
Anderson extrapolation: theta=0.3776718413 (0.3776718413)
-931.35197242
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547965116
ExchangeOperator: pair fraction: ispin=0: 0.1299513250
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3693486082 (a.u.)
total exchange computation time: 2.6285939217 s
-154.1721153612
Anderson extrapolation: theta=1.0165286728 (1.0165286728)
-931.35197279
-22.634424 -171.835573 -243.719190
-137.569969 457.872314 -804.651565
-160.204393 286.036741 -1048.370755
1098.436937
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547965116
ExchangeOperator: pair fraction: ispin=0: 0.1299513250
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3693713451 (a.u.)
total exchange computation time: 2.6284179688 s
678.97933688
-1084.13612527
89.68702437
-388.72476411
-174.78807340
78.51095727
551.60419304
0.00000000
-931.35197288
-9.22911111 -5.34748623 9.71348904
0.00002851 0.00011321 0.00015060
0.01838410 -0.03300377 0.00406053
-13.81720163 5.04506213 8.96932869
0.00013980 -0.00003955 -0.00015674
-0.00383155 -0.01088856 0.00839634
-15.79791723 1.58109299 2.94173091
-0.00014718 -0.00010236 -0.00002820
-0.02912304 -0.01760315 0.03702980
2.44766309 -19.69332950 13.32362388
-0.00018594 0.00006344 0.00008691
-0.05196961 0.05535068 -0.04546260
9.75085686 20.80275179 0.47723426
0.00034572 0.00006392 -0.00013833
-0.01003378 0.03223590 0.00196700
-11.15945796 12.76312763 15.18446330
-0.00021005 0.00016127 0.00003585
-0.00582764 0.02797841 0.01445195
-6.02145128 1.15894555 -12.95414398
0.00003773 -0.00025629 0.00025917
0.00744928 -0.02674330 -0.01062713
-8.94276865 6.65101738 -6.84049675
0.00020261 0.00025206 0.00002735
0.00955789 0.00420913 -0.02745152
-7.50116477 -3.71891417 18.04834548
0.00032507 0.00004790 0.00003037
-0.00078299 0.01016855 -0.02727218
-23.37461053 -7.56233076 -23.49485526
-0.00026873 -0.00002803 -0.00031735
-0.02504558 -0.01731181 -0.00768988
8.38403521 13.05845392 6.56502200
0.00042193 0.00036477 0.00032486
0.00473994 -0.01783954 0.05809184
23.19499699 28.93547964 -3.14621209
-0.00039040 -0.00040237 0.00034892
0.00201441 0.00151614 -0.02255935
9.33944646 -0.02601738 -14.61635401
0.00037943 0.00032059 -0.00003353
0.03138909 -0.02259641 -0.00820009
-9.06022831 -1.06639843 12.62518263
-0.00018907 -0.00013049 -0.00042246
0.01586348 -0.01517610 -0.05180808
-2.12348148 -25.92532425 10.50448978
-0.00005890 0.00001865 0.00022606
-0.00704100 -0.00582416 -0.00117420
-15.21649429 -4.12078182 -7.22285627
-0.00016294 0.00014039 -0.00011841
-0.00888955 -0.03059864 -0.02931462
-19.40932357 -10.99400394 -18.25816601
-0.00012319 -0.00020185 0.00018755
-0.00392034 -0.04589189 0.01211270
21.23347688 5.34661103 4.65911364
-0.00041166 0.00025601 0.00001932
0.00911948 -0.03402657 -0.00042543
19.29155148 -11.61926949 -13.34162259
0.00082614 0.00009556 0.00010369
-0.01584774 0.01609758 -0.01986788
-3.11336933 -0.29332108 -6.59212548
-0.00038773 -0.00010102 0.00016557
0.02374773 0.00801700 -0.01229494
-3.81935068 -3.18242267 -17.55935075
0.00034419 -0.00005167 -0.00010305
-0.00907576 0.03428135 0.00129971
14.21809815 16.41831718 -21.27000705
0.00018024 -0.00005087 -0.00011783
0.00385835 0.01097943 0.00762752
-14.63226952 17.51975101 -13.31530130
0.00026738 0.00039978 -0.00010616
0.00095401 0.04577740 0.05443754
1.49767943 15.09232433 7.99387518
-0.00031483 0.00006518 -0.00051436
-0.02365236 -0.00177390 0.03013459
-4.44229123 -9.23496668 3.93534870
0.00024203 0.00010711 -0.00016274
-0.01295300 0.00760340 0.01166059
2.12685131 -5.18036988 2.31591631
0.00000065 0.00036913 -0.00014738
-0.04081677 -0.00212607 0.05078986
9.68003550 7.13556322 4.46752638
0.00001387 0.00009131 -0.00010018
-0.01116036 0.00455550 -0.00813623
-9.25502824 -10.21943950 -2.71322881
0.00003020 -0.00040053 0.00033650
0.02906704 -0.00575372 -0.01140242
3.48125787 -15.59264108 -13.12323860
-0.00016758 0.00003232 -0.00023214
-0.01084275 -0.03389325 0.06064113
3.76736967 -5.70901537 -3.27555376
0.00002348 0.00005130 0.00036313
0.00812516 0.02205620 -0.02735609
18.40794575 1.94286045 24.52740800
-0.00007196 -0.00006939 -0.00019592
-0.00552059 -0.02494700 -0.01157004
-8.84363423 2.60441596 1.51901143
-0.00018860 -0.00027076 0.00001631
-0.01752203 -0.01167072 0.00555827
-6.07564887 12.68027675 -9.82614756
0.00042504 -0.00040454 0.00016328
-0.00568022 -0.00424880 0.00531860
1.62064216 13.26172751 -7.62472539
-0.00004424 0.00017584 0.00011529
0.00176766 -0.00058824 0.02653132
-11.01660820 10.06188407 -12.52430047
-0.00046608 -0.00011491 0.00008967
-0.02136351 0.05198316 0.02813042
7.86161360 4.01350198 14.61052403
-0.00020014 -0.00038085 0.00013058
0.01133811 0.02909131 -0.02776820
-15.46755745 9.75427837 -7.97334712
0.00035286 0.00037382 0.00055498
-0.01599119 0.00427099 0.00440846
8.71291847 7.79039576 -3.04712211
-0.00031800 -0.00003705 0.00002866
-0.03036552 -0.04425493 -0.03741537
14.16968512 -20.71492691 -26.73087176
-0.00002517 -0.00010911 0.00019454
0.00981246 0.02720214 -0.02791429
5.06751303 6.91302940 1.65834828
0.00017334 -0.00023422 0.00039752
-0.00160233 0.00013521 -0.01161435
18.28685033 -5.84884368 -7.54989965
-0.00010005 -0.00004110 0.00012734
0.03353903 -0.01491238 -0.00623018
-1.93052251 -2.07822985 -2.07809146
-0.00016470 -0.00008540 -0.00000744
0.02250136 -0.04107349 0.02110349
2.77270966 -2.08106394 -12.03070345
0.00011264 -0.00019459 -0.00002312
0.02296740 0.00023741 -0.00337654
19.66698632 9.26947341 -6.16324050
0.00010420 -0.00019734 0.00023077
-0.01992170 0.02187629 0.00528376
-7.59439341 5.77533804 8.85112145
-0.00030094 -0.00005813 -0.00039289
0.01054069 -0.02711508 -0.01294047
-1.79819507 -16.08201897 11.39562670
0.00018416 -0.00005606 -0.00011565
0.00049077 -0.00816870 0.01072763
7.58056377 -0.45032030 -4.64021828
0.00013411 0.00003840 -0.00028423
0.01291176 -0.01008571 0.05523162
-1.00219670 -12.14544572 0.65668175
-0.00012817 -0.00022008 0.00009096
-0.00473983 -0.00539184 -0.00534617
-19.97089830 -0.65000156 5.28592813
-0.00003947 0.00041123 0.00012724
0.02346502 -0.03369091 0.00741791
-6.41502214 7.89618017 -25.11174985
-0.00022589 0.00028560 -0.00038632
0.00904423 0.00439388 -0.00002924
2.52136354 1.94463477 -1.82978913
-0.00056821 0.00006798 -0.00008244
-0.00958905 -0.00301858 0.00727503
14.73214897 8.23710885 4.13188292
-0.00026790 -0.00006734 0.00005744
0.01830323 0.02758668 -0.00029767
-8.25773759 -6.88306773 10.29348300
0.00069370 -0.00056888 0.00008545
-0.00878282 0.02561802 -0.00011225
-10.12473360 -6.05268855 8.28971782
-0.00042579 0.00121673 0.00036251
-0.00610283 0.00390259 -0.00185407
-13.10319400 6.08495517 7.64440995
0.00009551 -0.00033415 -0.00046863
-0.00164806 -0.00282539 -0.01049877
-13.88204532 3.31312376 8.29145353
0.00030417 -0.00076050 0.00070239
0.00748208 0.01360678 0.01102629
-14.83768907 1.63813091 4.56347643
0.00104142 -0.00037743 -0.00017956
-0.00840582 0.00052606 -0.02032817
-17.47466379 0.72528370 3.55555576
-0.00018105 0.00007214 0.00035210
0.03570656 0.01718858 -0.01089618
2.77396859 -21.26128844 12.69410766
-0.00100775 -0.00040708 0.00070909
0.01785349 -0.05924472 -0.02097968
3.07785666 -19.46931750 14.89284315
0.00078833 -0.00075415 0.00059883
0.02983748 0.00477824 0.06208099
9.20617836 19.08098693 0.46813387
-0.00009754 -0.00039580 -0.00167986
-0.00430978 -0.01903993 0.00427037
8.45644248 21.81963445 1.46410019
0.00138875 0.00037671 0.00012984
0.01014585 -0.01449316 -0.01242407
-10.52054065 12.24706281 16.96289145
0.00009541 -0.00116499 0.00002497
-0.00427887 0.01650994 -0.02214944
-11.59336232 14.63020867 15.30057456
0.00070132 -0.00010665 0.00063659
0.00979497 -0.04230144 -0.00027272
-5.97365184 -0.10158922 -14.29647890
-0.00020478 0.00036663 -0.00024330
0.00476670 0.01436373 -0.00305294
-6.55476068 0.07705822 -11.55566271
-0.00078253 0.00085059 -0.00070622
-0.00851807 0.01266686 0.01197480
-8.21324571 8.28054983 -6.44738519
0.00075719 0.00033968 -0.00058340
0.00023408 -0.00676329 -0.00526252
-9.85913296 6.34996571 -5.34666794
0.00014955 0.00076688 0.00047667
-0.01905854 -0.00059491 0.02356382
-7.58098576 -1.88029608 18.07218152
-0.00019867 -0.00127454 -0.00025669
0.00110324 -0.00847297 -0.00231638
-7.29892801 -4.19707907 19.75409226
0.00051420 0.00024047 -0.00055911
0.00066371 -0.00964136 0.02789565
-24.81900587 -6.45104706 -23.30308806
-0.00043022 0.00020122 -0.00037407
0.01290577 0.00295083 -0.00349205
-21.86829987 -6.59343303 -23.49740803
0.00067553 -0.00139742 -0.00077854
0.00986689 0.01785019 0.00041148
8.62582158 13.11223122 4.80396513
-0.00003345 0.00010185 -0.00085300
0.01058168 -0.00712260 -0.02618939
9.31048301 11.63905911 7.58055056
0.00074705 0.00023976 -0.00043117
-0.01253072 0.02934964 -0.03120193
23.87532101 27.37324270 -2.50598317
0.00149856 -0.00030281 -0.00005703
-0.00460759 -0.00585225 0.00391997
23.06622631 30.11533193 -1.79506174
-0.00059886 -0.00077719 0.00053157
-0.00477347 0.00643583 0.01880323
11.02226725 -0.91836470 -14.47632151
-0.00025530 0.00011200 0.00023604
-0.03222451 0.02750631 -0.00052774
8.24328450 -1.50475115 -14.63702034
0.00027514 0.00014206 -0.00044755
-0.00171548 -0.00170800 0.00625759
-9.74293627 -0.96612674 14.25209856
0.00003278 -0.00112097 -0.00014626
-0.01338565 -0.01025320 0.02295218
-9.40378636 -2.65916048 11.62456475
0.00004332 -0.00033302 0.00085428
-0.00132929 0.01939105 0.03057590
-3.08691489 -26.42061481 12.05134198
-0.00043765 -0.00001509 -0.00095995
0.00791007 0.00226611 -0.00790918
-3.33060580 -25.77991025 9.13568223
-0.00053013 0.00015942 0.00030380
0.00479746 0.00075287 0.00048315
-14.71685638 -2.59135285 -6.32415654
-0.00027436 0.00050751 -0.00013179
0.00154654 0.01273511 0.00082812
-16.14863780 -3.60788747 -8.72627759
0.00020153 -0.00057325 -0.00078304
0.00421341 -0.00123821 0.01413085
-18.99681340 -9.45961179 -19.00394853
0.00036729 -0.00001727 -0.00120471
0.01230859 0.03915346 -0.01479451
-18.21076498 -12.25327618 -18.91769349
0.00011581 0.00088185 -0.00059104
-0.00517637 0.00415890 0.00201856
22.65907455 5.76573543 3.58071086
0.00013402 0.00031063 0.00039686
-0.01544131 0.01856692 0.01176370
20.23349255 6.58505433 5.50395138
-0.00043371 0.00084829 0.00052204
0.00895900 0.01704209 -0.00851040
18.28986751 -10.86667730 -11.99008862
-0.00015141 0.00043247 0.00137291
-0.00191377 -0.00746074 0.01484660
18.46072490 -10.66670404 -14.71200795
0.00078306 0.00018855 -0.00024860
0.01231537 -0.01007215 0.00015137
-1.90153777 1.02631515 -7.11560369
0.00087595 -0.00147512 0.00095674
-0.02029417 -0.01130884 0.00737323
-4.73785047 0.39470757 -6.14821891
-0.00014415 0.00028762 -0.00016858
0.00190604 0.00846749 -0.00067106
-2.92586689 -4.44977702 -18.43101425
-0.00066390 0.00018260 -0.00060548
0.00901653 -0.01846875 -0.00941864
-3.63605320 -1.63481904 -18.61225947
-0.00006231 0.00058831 0.00001004
-0.00391927 -0.00869717 0.01131453
13.81666891 17.64929580 -19.92378427
-0.00001240 0.00072445 -0.00084342
0.00061808 -0.01784968 -0.01943790
12.62222994 15.77394740 -21.98509427
-0.00078356 0.00039283 0.00060505
0.00412870 0.00675432 0.01408799
-13.82028639 17.16595932 -11.65018965
-0.00064914 0.00000261 -0.00049297
-0.01022192 0.00393360 -0.02785432
-14.67853357 15.99150917 -14.18557231
0.00008263 0.00090943 -0.00052607
0.00251367 -0.05102832 -0.02504100
1.93252610 15.71797901 6.33087208
0.00080563 -0.00017586 0.00010660
-0.01464438 0.00635593 0.00664808
-0.03938458 15.86192996 8.92599597
-0.00024429 -0.00007936 -0.00007815
0.03693728 -0.00738384 -0.03650437
-5.12733486 -8.15838462 2.62660831
0.00214388 0.00009308 -0.00017935
-0.00928498 0.00205472 0.00215778
-3.22989995 -10.25032018 3.09243611
-0.00059950 0.00023600 0.00036326
0.01891250 -0.01339050 -0.01684727
1.26640351 -3.74340397 3.19562959
0.00005180 -0.00148668 0.00003016
0.02017913 -0.01577413 -0.01530802
3.12941077 -4.47045822 1.07425467
-0.00041329 -0.00076934 0.00102153
0.02687024 0.01839258 -0.03073635
8.21356521 7.83943611 3.56440697
-0.00130392 0.00030445 -0.00040530
0.01380096 -0.01038967 0.00478436
11.22024234 7.92123035 3.83859873
0.00039416 -0.00000031 -0.00089753
0.00368757 0.00212350 0.00252385
-7.70667905 -11.27031847 -2.38330665
-0.00058948 0.00046593 -0.00017060
-0.02852684 0.00327929 0.00131138
-10.35052826 -9.95077820 -1.31646771
-0.00053636 0.00002625 0.00029475
-0.00460239 0.00201011 0.01942784
5.23695950 -15.75333683 -12.53616626
-0.00014678 -0.00105101 -0.00062717
0.00267821 0.00303204 -0.02126050
2.76847419 -16.71390452 -11.66853153
-0.00033238 0.00036413 0.00087772
0.00402722 0.02921165 -0.04210272
4.92911965 -4.92530917 -4.55753686
-0.00057532 0.00033495 0.00061150
-0.02457234 0.00084184 -0.00099265
5.10728458 -6.63334731 -2.55638043
0.00085294 -0.00003882 0.00028692
0.01649444 -0.02646017 0.02875532
16.71465125 2.61455584 24.17944522
-0.00012733 0.00012872 0.00072976
0.00832154 -0.00016947 0.00915183
19.42624798 3.03998297 25.57984243
0.00013398 0.00029709 -0.00005285
-0.00418557 0.01268623 -0.00146273
-9.66374396 0.95229419 1.51293196
-0.00012425 -0.00039295 0.00007972
0.00732140 -0.00378638 -0.00916919
-10.00003694 3.41026655 2.68557358
-0.00012434 -0.00085564 0.00020612
0.00585020 0.01590074 -0.00158922
-5.00190452 13.57217961 -8.59440928
-0.00005722 -0.00010072 0.00030730
-0.00550472 0.00471239 -0.00842210
-7.60712112 12.35922733 -8.85438899
0.00066739 -0.00009070 -0.00044876
-0.00308907 -0.00116741 -0.00668713
1.25530103 11.88175339 -6.48200967
0.00104936 0.00020288 0.00003351
-0.00998376 -0.01546027 -0.01406808
1.85006189 14.41671088 -6.20516043
0.00016045 -0.00072645 -0.00016634
0.01156379 0.01577145 -0.00998182
-10.68180304 8.41693246 -12.97661313
-0.00025260 -0.00008288 -0.00062995
0.01293457 -0.05145881 -0.01370367
-11.90430505 9.96563984 -10.89539148
0.00053244 0.00044587 0.00031542
0.00656027 0.00208929 -0.01249340
7.74991457 5.31334511 13.22591764
0.00001513 0.00015565 0.00064169
-0.01800639 -0.02101757 0.02019594
9.67111170 3.94756881 14.44811264
-0.00001468 -0.00001551 -0.00014782
0.00903641 -0.01229901 0.00875693
-14.17939068 10.74110293 -7.11541300
-0.00046711 0.00137760 -0.00012638
0.00658863 0.01009091 -0.00732820
-16.97729555 10.84589264 -7.94396617
0.00003032 -0.00011581 0.00008462
0.01333046 -0.00880826 -0.00158499
9.21435286 9.26414856 -2.21102357
0.00014839 -0.00073608 -0.00056111
0.00183320 0.03113845 -0.00069372
7.73259333 8.00008893 -4.69945921
-0.00062608 -0.00021393 -0.00043567
0.02205971 0.00843659 0.03855058
14.47824426 -18.99147055 -27.43337610
0.00009576 0.00038960 -0.00003720
-0.00234934 -0.02018545 0.00259867
13.40510979 -20.32164902 -25.16709839
0.00021844 0.00020312 -0.00003316
-0.00822726 0.00303976 0.02670452
4.95932056 5.12707362 2.21753874
-0.00058838 -0.00114706 -0.00002196
0.01262145 0.01414092 -0.01526957
5.65694066 7.06189798 -0.13355259
-0.00053700 0.00013611 -0.00058323
-0.00459782 -0.01230614 0.02637842
19.91569788 -6.30972383 -6.81797700
-0.00005367 0.00193268 -0.00069386
-0.00753169 0.00170459 -0.00368834
17.35560204 -5.09512823 -6.22013488
-0.00091611 0.00027596 -0.00014734
-0.02251346 0.01697262 0.02244133
-2.59461439 -0.84059063 -1.01365030
0.00025502 -0.00026021 -0.00012786
-0.01360367 0.02776092 0.01770933
-2.08591859 -1.51246278 -3.76348894
0.00001429 -0.00107998 0.00031184
-0.00778847 0.01361840 -0.02780901
4.01114830 -3.45429564 -12.27618469
-0.00067257 0.00052988 -0.00045246
-0.01284947 0.00552686 0.00121278
1.09133816 -2.76502267 -11.80011133
0.00010581 -0.00025457 -0.00007876
-0.00697581 -0.00823568 0.00262378
19.73892035 8.49383151 -7.77716685
0.00041765 0.00044359 -0.00046843
-0.00049415 -0.01115019 -0.02272562
20.84094347 8.32643629 -5.20974163
0.00072915 -0.00094566 0.00022628
0.02520174 -0.01915412 0.01789943
-7.01273280 3.88294123 8.95648439
0.00014963 -0.00118368 -0.00050109
-0.01376103 0.03699195 0.00428591
-7.26823704 6.61352129 10.41870054
0.00111156 -0.00048380 -0.00059371
0.00213399 -0.00323486 0.00693313
-2.17591683 -17.86702245 11.62400236
0.00052644 -0.00018764 -0.00008159
0.00154922 0.01086892 -0.00606317
-2.79437400 -15.46657024 10.00689229
0.00012458 -0.00091262 -0.00002714
-0.00462439 0.00020898 -0.00208487
8.45454546 -0.64537670 -2.92537492
-0.00038673 0.00066909 -0.00126269
-0.01256969 0.01156979 -0.03004324
7.52699348 1.22623177 -5.27311461
0.00008801 0.00046126 0.00021315
0.00792209 0.02295091 -0.00547574
0.34786199 -11.84618216 1.84582061
-0.00013290 -0.00007016 0.00000193
0.00875455 -0.00212641 0.01165045
-0.90978213 -10.58861885 -0.32876042
-0.00029478 -0.00017601 0.00047301
-0.00885927 0.00708920 -0.00414705
-19.58245976 -1.54446447 6.93481891
0.00047415 0.00098557 -0.00047377
0.00183595 0.01218003 -0.01432727
-21.23141423 0.42801456 5.88402939
-0.00032879 -0.00000800 0.00050769
-0.02701364 0.02870717 0.00398204
-4.97770214 8.13746027 -26.21553047
-0.00103617 -0.00035900 0.00039194
0.00083406 0.00938507 -0.03001471
-5.35226922 7.50218422 -23.74768058
0.00109507 0.00057860 -0.00074332
0.00336842 -0.01106437 0.04361296
4.15609881 1.68776436 -2.48231540
-0.00000428 -0.00006178 0.00041837
0.02647987 0.00109274 -0.00987485
2.08750440 0.22979050 -1.40301559
0.00087322 0.00042412 -0.00032545
-0.01517928 -0.00126082 0.00058652
14.88865584 7.43215271 5.80929911
0.00029722 0.00089802 -0.00006971
0.00133237 0.00893172 -0.00485963
15.69267192 9.90675998 4.11269946
-0.00080807 -0.00059457 0.00006735
-0.02235414 -0.03576534 0.00622994
1.52362830 -11.76992260 -13.88668160
0.00014239 0.00004073 -0.00015252
0.00519389 0.00640451 0.00153295
-13.56445728 14.62439379 22.74441058
-0.00001282 0.00013669 0.00015463
-0.00337820 -0.00138207 -0.00270683
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02488139
0.32709149
435.83301060
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547965116
ExchangeOperator: pair fraction: ispin=0: 0.1299513250
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3758783841 (a.u.)
total exchange computation time: 2.6294591427 s
-154.1612381735
-931.35212740
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547965116
ExchangeOperator: pair fraction: ispin=0: 0.1299513250
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3751133902 (a.u.)
total exchange computation time: 2.6290850639 s
-154.1684827606
Anderson extrapolation: theta=1.3442144840 (1.3442144840)
-931.35238917
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547965116
ExchangeOperator: pair fraction: ispin=0: 0.1299513250
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3739743222 (a.u.)
total exchange computation time: 2.6293840408 s
-154.1790594961
Anderson extrapolation: theta=0.0516001545 (0.0516001545)
-931.35254434
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547965116
ExchangeOperator: pair fraction: ispin=0: 0.1299513250
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3738302417 (a.u.)
total exchange computation time: 2.6291718483 s
-154.1803059786
Anderson extrapolation: theta=1.9304968823 (1.9304968823)
-931.35254992
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547965116
ExchangeOperator: pair fraction: ispin=0: 0.1299513250
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3735313284 (a.u.)
total exchange computation time: 2.6306941509 s
-154.1828436188
Anderson extrapolation: theta=0.2239105900 (0.2239105900)
-931.35255540
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547965116
ExchangeOperator: pair fraction: ispin=0: 0.1299513250
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3734626095 (a.u.)
total exchange computation time: 2.6285319328 s
-154.1833891007
Anderson extrapolation: theta=1.8859193651 (1.8859193651)
-931.35255633
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547965116
ExchangeOperator: pair fraction: ispin=0: 0.1299513250
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3733594576 (a.u.)
total exchange computation time: 2.6290080547 s
-154.1841690554
Anderson extrapolation: theta=0.2865357303 (0.2865357303)
-931.35255722
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547965116
ExchangeOperator: pair fraction: ispin=0: 0.1299513250
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3733561862 (a.u.)
total exchange computation time: 2.6279621124 s
-154.1841539405
Anderson extrapolation: theta=1.3071367672 (1.3071367672)
-931.35255736
-22.631155 -171.837817 -243.737003
-137.551759 457.852097 -804.692098
-160.182913 286.014280 -1048.429100
1098.483642
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0547965116
ExchangeOperator: pair fraction: ispin=0: 0.1299513250
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3733711720 (a.u.)
total exchange computation time: 2.6284680367 s
679.03638040
-1084.25803374
89.68416470
-388.64321492
-174.79848260
78.57806675
551.60419304
0.00000000
-931.35255732
-9.22861249 -5.34591534 9.71576368
0.00003897 0.00009577 0.00015367
0.02228882 -0.03483261 0.00790113
-13.81511937 5.04442687 8.96700994
0.00013774 -0.00004563 -0.00015252
-0.00418307 -0.01275511 0.00802503
-15.80023720 1.57948976 2.94145070
-0.00016165 -0.00011131 -0.00000872
-0.02715674 -0.01720959 0.03874142
2.44467357 -19.69216436 13.32475212
-0.00021144 0.00009175 0.00006584
-0.04720248 0.05473214 -0.03645488
9.75600402 20.80383496 0.47516696
0.00034085 0.00007907 -0.00013759
-0.00891257 0.02666284 0.00089311
-11.16263122 12.76565461 15.18505678
-0.00021262 0.00017469 0.00004365
-0.00414001 0.02420303 0.01589646
-6.02085656 1.15499803 -12.95029741
0.00004213 -0.00026849 0.00025214
0.00965793 -0.02070072 -0.01672801
-8.93969262 6.65481452 -6.84019246
0.00020714 0.00025426 0.00001395
0.00804996 0.00435617 -0.02462333
-7.49629179 -3.71815647 18.04869589
0.00032460 0.00005095 0.00001520
-0.00104998 0.00169874 -0.03175091
-23.37873809 -7.56281799 -23.49964522
-0.00028180 -0.00003691 -0.00032118
-0.02577569 -0.01720162 -0.00721022
8.39038252 13.06385659 6.57011905
0.00042472 0.00035582 0.00035175
0.00610539 -0.01694347 0.04646688
23.18914870 28.92944989 -3.14106537
-0.00038892 -0.00040249 0.00033760
0.00373733 -0.00197307 -0.02146258
9.34525906 -0.02129562 -14.61688864
0.00039462 0.00030889 -0.00003785
0.02767037 -0.02291828 -0.00859786
-9.06300322 -1.06841435 12.61864586
-0.00018122 -0.00013775 -0.00044796
0.01467385 -0.01305081 -0.04733608
-2.12439209 -25.92506693 10.50787622
-0.00006255 0.00001595 0.00022412
-0.00715103 -0.00469646 -0.00640001
-15.21897271 -4.11879406 -7.22474544
-0.00016748 0.00012506 -0.00013340
-0.00877299 -0.02901249 -0.02899486
-19.41118661 -10.99720877 -18.25530597
-0.00012464 -0.00022277 0.00019263
-0.00168376 -0.03544526 0.00762197
21.22733722 5.35031989 4.65940174
-0.00040755 0.00023960 0.00001952
0.00684784 -0.02979647 0.00120962
19.30388241 -11.61777397 -13.34014384
0.00081633 0.00010502 0.00009513
-0.02227864 0.02068312 -0.01343261
-3.11909363 -0.29480550 -6.58968938
-0.00037560 -0.00009779 0.00015936
0.02340276 0.00456356 -0.01183862
-3.81422278 -3.18306555 -17.56089142
0.00033912 -0.00003288 -0.00010217
-0.01066108 0.03878881 0.00212378
14.22081662 16.41759650 -21.27174505
0.00018137 -0.00004531 -0.00011415
0.00052351 0.01065372 0.00667241
-14.62825518 17.52592425 -13.31668377
0.00026737 0.00042365 -0.00007913
-0.00098297 0.04704147 0.05067552
1.49286571 15.09329520 7.98627597
-0.00032704 0.00006382 -0.00049804
-0.02381839 -0.00351915 0.03335008
-4.43871073 -9.23333068 3.93295257
0.00023476 0.00011134 -0.00015523
-0.01530251 0.00882635 0.01756009
2.12670362 -5.17484111 2.31390158
-0.00002158 0.00036461 -0.00011946
-0.04564362 -0.01544276 0.05775665
9.68020047 7.13695050 4.46599232
0.00000735 0.00009477 -0.00010558
-0.01417290 0.00888880 -0.01288413
-9.25446312 -10.22546966 -2.70822522
0.00004309 -0.00040236 0.00033078
0.02106346 -0.00137750 -0.01084625
3.47870242 -15.59228699 -13.12648682
-0.00017342 0.00001452 -0.00020040
-0.01188982 -0.03532431 0.06277602
3.76775322 -5.70816077 -3.27021226
0.00002846 0.00006152 0.00035022
0.01123309 0.01769927 -0.02286893
18.40684509 1.94172335 24.52442450
-0.00007429 -0.00008167 -0.00020128
-0.00355590 -0.02281110 -0.00925089
-8.84653089 2.60030952 1.51927754
-0.00019750 -0.00027705 0.00001904
-0.01706194 -0.01280004 0.00505408
-6.06929522 12.67419228 -9.82367790
0.00042293 -0.00040650 0.00016542
-0.00252472 -0.00337497 0.00303649
1.61998538 13.26436288 -7.62289373
-0.00004329 0.00017502 0.00012767
0.00190781 -0.00259922 0.02163498
-11.02368176 10.06036095 -12.52284693
-0.00047642 -0.00008879 0.00010332
-0.01886140 0.04958923 0.02495808
7.85865530 4.00790152 14.61237563
-0.00019382 -0.00036588 0.00011638
0.01320706 0.02909155 -0.02746121
-15.46232620 9.75990208 -7.96500543
0.00034419 0.00037567 0.00055701
-0.01772337 0.00295418 0.00350659
8.70803134 7.78966938 -3.04683654
-0.00033446 -0.00006118 0.00000823
-0.03364737 -0.04960472 -0.04204428
14.16934549 -20.71645868 -26.72806130
-0.00001982 -0.00009447 0.00017950
0.01098719 0.02972634 -0.03057582
5.07010698 6.90951668 1.66426633
0.00017267 -0.00023511 0.00039083
-0.00102736 -0.00359511 -0.01441900
18.28547889 -5.84951765 -7.54801365
-0.00008470 -0.00004802 0.00012410
0.02615872 -0.01202345 -0.00634348
-1.93290621 -2.07966930 -2.07812163
-0.00015276 -0.00010748 0.00000421
0.02393197 -0.04478487 0.02419197
2.77448789 -2.08398193 -12.03106327
0.00012311 -0.00019329 -0.00002454
0.01772925 0.00483579 -0.00215181
19.66847242 9.26659763 -6.15975861
0.00009529 -0.00018745 0.00023365
-0.01471626 0.01659245 0.00591508
-7.59886692 5.77436151 8.84517822
-0.00029522 -0.00007320 -0.00039961
0.01171261 -0.03148230 -0.01319450
-1.79543079 -16.08289134 11.39393326
0.00018464 -0.00006062 -0.00010975
0.00139734 -0.00958362 0.01224883
7.58262529 -0.44978313 -4.64426872
0.00014009 0.00003423 -0.00025729
0.01034423 -0.00615092 0.04952050
-1.00413758 -12.14876765 0.65802547
-0.00013056 -0.00022301 0.00008834
-0.00452752 -0.00602610 -0.00483241
-19.97139982 -0.64396311 5.28786534
-0.00002784 0.00039468 0.00013048
0.02174011 -0.03066335 0.00520008
-6.41837565 7.90048115 -25.11754470
-0.00022198 0.00028716 -0.00038387
0.00618677 0.00166888 0.00952523
2.51280336 1.94564276 -1.83099761
-0.00057164 0.00006743 -0.00007948
-0.00375672 0.00091130 0.00422725
14.72820105 8.23620511 4.13274330
-0.00025892 -0.00005358 0.00005673
0.01663444 0.02594385 -0.00246265
-8.24760116 -6.89081594 10.29476138
0.00065176 -0.00045731 0.00008066
-0.01174737 0.02899951 -0.00223452
-10.13130748 -6.03431804 8.29509858
-0.00045252 0.00122894 0.00035122
-0.00698343 0.00207721 -0.00367017
-13.10181190 6.07985634 7.63705884
0.00008852 -0.00034650 -0.00051135
-0.00177029 -0.00322062 -0.01041233
-13.87725346 3.30213319 8.30232728
0.00033518 -0.00070028 0.00074793
0.00769439 0.01587204 0.01126617
-14.82232539 1.63248556 4.56016007
0.00100288 -0.00037515 -0.00026635
-0.01046107 0.00059149 -0.02215557
-17.47628544 0.72689246 3.56050337
-0.00003495 0.00014204 0.00030804
0.03581335 0.01703132 -0.01067314
2.75939943 -21.26921014 12.70410119
-0.00093669 -0.00064572 0.00062395
0.01692990 -0.05756739 -0.02070135
3.09059589 -19.48048329 14.90372794
0.00090267 -0.00073691 0.00083352
0.02613312 0.00365773 0.05280109
9.20458320 19.07446650 0.44306676
-0.00011325 -0.00046272 -0.00166106
-0.00337954 -0.01371603 0.00493438
8.47758468 21.82484105 1.46566712
0.00142564 0.00031714 0.00008034
0.00790956 -0.01466965 -0.01180879
-10.51924058 12.23009384 16.96258722
0.00007667 -0.00109498 -0.00006801
-0.00489686 0.01776063 -0.02336180
-11.58254239 14.62731261 15.31011503
0.00073961 -0.00027396 0.00063583
0.00894722 -0.03959716 -0.00009837
-5.97657750 -0.09564958 -14.30022192
-0.00018538 0.00042396 -0.00025566
0.00472954 0.01369831 -0.00299789
-6.56675971 0.09020526 -11.56588912
-0.00082184 0.00089187 -0.00064529
-0.01072042 0.00753823 0.01785302
-8.20188064 8.28543782 -6.45629747
0.00075689 0.00030959 -0.00060513
-0.00038191 -0.00796549 -0.00537153
-9.85747376 6.36145067 -5.33879578
0.00007566 0.00076623 0.00056711
-0.01710910 0.00027512 0.02070814
-7.58393207 -1.89967389 18.06826015
-0.00019493 -0.00128875 -0.00026609
0.00073083 0.00151745 -0.00228236
-7.29119461 -4.19376747 19.74656035
0.00051794 0.00019794 -0.00043602
0.00116680 -0.01117868 0.03236195
-24.82506374 -6.44793827 -23.30880605
-0.00037259 0.00021239 -0.00038888
0.01530802 0.00251642 -0.00375975
-21.85786450 -6.61384737 -23.50907359
0.00071281 -0.00132378 -0.00077696
0.00837806 0.01819568 0.00036559
8.62564410 13.11354071 4.79036762
0.00000656 0.00007268 -0.00093928
0.00900468 -0.00715702 -0.01604659
9.32130482 11.64355481 7.57312692
0.00069587 0.00035821 -0.00055599
-0.01252356 0.02863372 -0.02989921
23.89765816 27.36852116 -2.50671857
0.00147586 -0.00031989 -0.00004388
-0.00650136 -0.00250441 0.00251873
23.05709717 30.10387127 -1.78651199
-0.00061850 -0.00074995 0.00060915
-0.00483999 0.00689709 0.01917082
11.01745035 -0.91584183 -14.47279701
-0.00038051 0.00022208 0.00023442
-0.02907061 0.02638026 -0.00026540
8.24735911 -1.50267253 -14.64354179
0.00026922 0.00013780 -0.00042162
-0.00118412 -0.00038065 0.00643562
-9.74285479 -0.98325546 14.25060801
-0.00001958 -0.00116156 -0.00005531
-0.01224354 -0.00961746 0.02156827
-9.40317723 -2.66356155 11.63831589
0.00003772 -0.00025873 0.00097328
-0.00141358 0.01697540 0.02767576
-3.09323718 -26.42077170 12.03670037
-0.00040858 -0.00000795 -0.00098347
0.00632019 0.00122790 -0.00360571
-3.33841072 -25.77749586 9.14025404
-0.00050689 0.00016249 0.00030729
0.00657962 0.00075095 0.00122679
-14.72092433 -2.58334996 -6.32610808
-0.00026954 0.00055579 -0.00013141
0.00080890 0.01089862 -0.00064069
-16.14548568 -3.61652416 -8.73759015
0.00021973 -0.00057812 -0.00072326
0.00469576 -0.00114445 0.01513313
-18.99092684 -9.45867099 -19.02247259
0.00041109 0.00012770 -0.00125622
0.00913258 0.03180915 -0.01041737
-18.20918651 -12.23992095 -18.92649729
0.00009649 0.00089297 -0.00058237
-0.00427674 0.00128480 0.00222601
22.66061171 5.77096384 3.58702430
0.00006918 0.00038576 0.00044653
-0.01629997 0.01820937 0.01254649
20.22726138 6.59830084 5.51152123
-0.00039089 0.00090995 0.00048242
0.01200476 0.01314280 -0.01088302
18.28753776 -10.86041890 -11.96904006
-0.00014841 0.00039386 0.00141572
0.00337928 -0.01143724 0.00611039
18.47284825 -10.66418438 -14.71573232
0.00083452 0.00014603 -0.00024324
0.01287068 -0.01074117 0.00247106
-1.88902046 1.00384188 -7.10102658
0.00079486 -0.00151581 0.00098504
-0.01939804 -0.00861122 0.00647634
-4.73995429 0.39928134 -6.15076821
-0.00013743 0.00032398 -0.00017065
0.00138473 0.00933326 -0.00034305
-2.93554914 -4.44760396 -18.44038506
-0.00062381 0.00010270 -0.00064783
0.01060881 -0.02064124 -0.01131396
-3.63710794 -1.62626089 -18.61176216
-0.00007831 0.00054845 0.00005837
-0.00391492 -0.01081269 0.01234248
13.81650188 17.65961563 -19.93703119
-0.00000851 0.00065187 -0.00092153
0.00128483 -0.01768190 -0.01879916
12.61060304 15.78004681 -21.97558679
-0.00076134 0.00042099 0.00066299
0.00674641 0.00702872 0.01427355
-13.83033679 17.16611900 -11.65843777
-0.00068645 0.00001707 -0.00059868
-0.00803729 0.00314253 -0.02389242
-14.67721707 16.00358698 -14.19423063
0.00009291 0.00069949 -0.00062913
0.00251884 -0.05174111 -0.02540995
1.94416184 15.71553588 6.33267484
0.00074608 -0.00014709 0.00012861
-0.01450754 0.00772833 0.00412669
-0.04191712 15.86051333 8.92370507
-0.00009325 -0.00010878 -0.00022867
0.03700071 -0.00701989 -0.03717482
-5.09546126 -8.15692542 2.62398421
0.00210066 0.00010847 -0.00017702
-0.01186917 0.00547629 -0.00102020
-3.23831294 -10.24719050 3.09736879
-0.00051191 0.00017172 0.00028938
0.02396333 -0.01807447 -0.01931815
1.26779892 -3.76618759 3.19561291
0.00012691 -0.00153738 -0.00002602
0.01658796 -0.00904111 -0.01219113
3.12403477 -4.48143476 1.08863581
-0.00028638 -0.00068100 0.00087497
0.03525474 0.02485407 -0.04100777
8.19442937 7.84368445 3.55847414
-0.00123433 0.00025575 -0.00037859
0.02026082 -0.01344845 0.00828821
11.22626769 7.92129077 3.82521312
0.00040197 0.00000522 -0.00088442
0.00013690 0.00058128 0.00389532
-7.71639538 -11.26322905 -2.38582541
-0.00069562 0.00047244 -0.00016154
-0.02343191 -0.00009050 0.00311979
-10.35871471 -9.95032287 -1.31145111
-0.00055007 0.00003327 0.00036869
-0.00210896 0.00142437 0.01676460
5.23483984 -15.76900908 -12.54622532
-0.00013472 -0.00103823 -0.00071421
0.00322855 0.00322669 -0.02134767
2.76361195 -16.70754748 -11.65665582
-0.00031432 0.00048580 0.00070133
0.00481005 0.03034981 -0.04424416
4.91973684 -4.92025913 -4.54839484
-0.00067267 0.00034006 0.00060410
-0.02308176 0.00165841 -0.00262697
5.12058410 -6.63474044 -2.55119552
0.00091106 -0.00013989 0.00039875
0.01195811 -0.02301475 0.02598895
16.71299629 2.61648150 24.19067207
-0.00009442 0.00012768 0.00076589
0.00779086 -0.00034020 0.00853165
19.42812942 3.04482801 25.57900480
0.00011414 0.00034494 -0.00006219
-0.00552747 0.01073862 -0.00310888
-9.66538331 0.94628399 1.51384683
-0.00009336 -0.00040782 0.00004156
0.00779722 -0.00349495 -0.00951148
-10.00172282 3.39791924 2.68861666
-0.00010210 -0.00078863 0.00020149
0.00503888 0.01690024 -0.00067858
-5.00293150 13.57081323 -8.59005780
-0.00007792 -0.00008069 0.00027356
-0.00462578 0.00509019 -0.00809360
-7.59720498 12.35783107 -8.86132535
0.00064737 -0.00009779 -0.00047201
-0.00670971 -0.00230541 -0.00469104
1.27073552 11.88432289 -6.48193810
0.00100697 0.00013514 -0.00002198
-0.01076497 -0.01770023 -0.01309455
1.85282295 14.40629738 -6.20796145
0.00020874 -0.00065331 -0.00019939
0.01207622 0.02003344 -0.00619540
-10.68519574 8.41411244 -12.98648237
-0.00020155 -0.00028654 -0.00068282
0.01205850 -0.04823755 -0.01217275
-11.89611740 9.97239192 -10.89104295
0.00055695 0.00045246 0.00026765
0.00543514 0.00113497 -0.01089482
7.74958981 5.31503575 13.23616178
-0.00005940 0.00007065 0.00072294
-0.01848065 -0.02059021 0.01958001
9.67116836 3.94695928 14.44616362
0.00001944 -0.00006624 -0.00011139
0.00766625 -0.01253521 0.00907644
-14.18619546 10.76207615 -7.11753332
-0.00043573 0.00142075 -0.00015383
0.00877170 0.01103062 -0.00610593
-16.97643219 10.84388553 -7.94274541
0.00008370 -0.00015169 0.00007782
0.01279520 -0.00875512 -0.00174660
9.21663496 9.25406151 -2.21946149
0.00015987 -0.00059791 -0.00055817
0.00378289 0.03649598 0.00213144
7.72387817 7.99713845 -4.70481295
-0.00053325 -0.00017910 -0.00027491
0.02338039 0.00861428 0.04014458
14.47960869 -18.98624510 -27.43385445
0.00008498 0.00030141 -0.00002440
-0.00292992 -0.02298360 0.00366870
13.40813431 -20.31850903 -25.16677744
0.00018359 0.00021600 0.00007891
-0.00883527 0.00326360 0.02815479
4.95088164 5.11030104 2.21674143
-0.00053556 -0.00108037 -0.00008671
0.01323178 0.01850304 -0.01642753
5.64874477 7.06356246 -0.14149266
-0.00055752 0.00008481 -0.00046761
-0.00544926 -0.01280463 0.03021725
19.91466206 -6.28068139 -6.82849795
-0.00007499 0.00193665 -0.00070326
-0.00290671 0.00023646 -0.00091196
17.34117046 -5.09046872 -6.22165724
-0.00100320 0.00034182 -0.00006091
-0.02011486 0.01526674 0.01986271
-2.59120590 -0.84364303 -1.01502546
0.00019751 -0.00014262 -0.00005326
-0.01454857 0.02979685 0.01880573
-2.08594288 -1.52824511 -3.75966352
-0.00001904 -0.00102080 0.00018981
-0.00852733 0.01534751 -0.03192320
4.00066599 -3.44617814 -12.28293450
-0.00071572 0.00054243 -0.00044888
-0.00827427 0.00062032 0.00054403
1.09271148 -2.76909353 -11.80121227
0.00007833 -0.00028734 -0.00006840
-0.00647382 -0.00780599 0.00244699
19.74516999 8.50014366 -7.78488974
0.00041563 0.00040110 -0.00055411
-0.00049558 -0.00964754 -0.01921226
20.85265301 8.31166445 -5.20579892
0.00082165 -0.00101609 0.00029067
0.02007658 -0.01532414 0.01362040
-7.01090998 3.86631959 8.94909934
0.00009121 -0.00102526 -0.00048419
-0.01483917 0.04055297 0.00398674
-7.25149821 6.60616516 10.41000733
0.00112027 -0.00049572 -0.00056402
0.00212759 -0.00260123 0.00760100
-2.16797271 -17.86950397 11.62259268
0.00053330 -0.00014294 -0.00010544
0.00180956 0.01100908 -0.00560916
-2.79264702 -15.48025318 10.00642137
0.00010338 -0.00090926 -0.00003955
-0.00575301 0.00143697 -0.00399300
8.44835927 -0.63498578 -2.94523589
-0.00043247 0.00071376 -0.00137448
-0.00981673 0.01029415 -0.02467699
7.52855640 1.23385390 -5.27008514
0.00011994 0.00055026 0.00019115
0.00770761 0.02061812 -0.00529336
0.34613675 -11.84729977 1.84620662
-0.00009733 -0.00007940 0.00004994
0.00865703 -0.00239386 0.01184846
-0.91447526 -10.59104176 -0.32179239
-0.00033131 -0.00014530 0.00045407
-0.00902391 0.00794284 -0.00512519
-19.57529121 -1.52930767 6.92727330
0.00048303 0.00103120 -0.00052673
0.00251036 0.01015600 -0.01159476
-21.23717388 0.42877431 5.89176681
-0.00043703 0.00010726 0.00052255
-0.02597210 0.02770909 0.00328851
-4.99321914 8.13236288 -26.21057106
-0.00101975 -0.00031792 0.00025564
0.00720449 0.01072076 -0.03670777
-5.33573997 7.51052411 -23.75749390
0.00110227 0.00053541 -0.00057046
0.00015641 -0.01007569 0.04100304
4.15684600 1.68687120 -2.47634251
0.00009783 -0.00005422 0.00038046
0.02350366 0.00260715 -0.00867806
2.10013762 0.23611364 -1.40787938
0.00080610 0.00040743 -0.00031905
-0.01767976 -0.00691029 0.00254798
14.89315494 7.44589663 5.80810454
0.00030186 0.00092993 -0.00008403
0.00093797 0.00668930 -0.00215185
15.67986587 9.89674541 4.11390065
-0.00089534 -0.00073297 0.00009128
-0.02036713 -0.03198016 0.00548280
1.52577814 -11.76929451 -13.88896535
0.00014428 0.00004302 -0.00015196
0.00537182 0.00641301 0.00159650
-13.56465546 14.62644179 22.74672534
-0.00001361 0.00013638 0.00015399
-0.00342634 -0.00133525 -0.00281834
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02482969
0.32772763
436.68064183
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1310329908
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3791676264 (a.u.)
total exchange computation time: 2.5840659142 s
-154.1682088792
-931.35357366
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1310329908
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3783659403 (a.u.)
total exchange computation time: 2.5834298134 s
-154.1757306081
Anderson extrapolation: theta=1.3524826215 (1.3524826215)
-931.35383001
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1310329908
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3771534162 (a.u.)
total exchange computation time: 2.5849261284 s
-154.1868173776
Anderson extrapolation: theta=0.0539579319 (0.0539579319)
-931.35398369
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1310329908
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3769886773 (a.u.)
total exchange computation time: 2.5848741531 s
-154.1881735054
Anderson extrapolation: theta=2.0006692341 (2.0000000000)
-931.35398965
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1310329908
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3766331669 (a.u.)
total exchange computation time: 2.5844209194 s
-154.1910292173
Anderson extrapolation: theta=0.2386978025 (0.2386978025)
-931.35399600
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1310329908
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3765440520 (a.u.)
total exchange computation time: 2.5844869614 s
-154.1916860370
Anderson extrapolation: theta=1.9178641652 (1.9178641652)
-931.35399724
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1310329908
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3764017966 (a.u.)
total exchange computation time: 2.5858800411 s
-154.1926722398
Anderson extrapolation: theta=0.3029614110 (0.3029614110)
-931.35399858
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1310329908
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3763878773 (a.u.)
total exchange computation time: 2.5861189365 s
-154.1927067736
Anderson extrapolation: theta=1.3224703245 (1.3224703245)
-931.35399885
-22.624305 -171.831368 -243.764465
-137.532366 457.833754 -804.733779
-160.156670 286.002386 -1048.498245
1098.542713
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0550872093
ExchangeOperator: pair fraction: ispin=0: 0.1310329908
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3763914993 (a.u.)
total exchange computation time: 2.6340231895 s
679.07457965
-1084.34317340
89.68335835
-388.58652274
-174.80584928
78.62555624
551.60419304
0.00000000
-931.35399893
-9.22794191 -5.34461318 9.71809927
0.00005130 0.00007754 0.00015861
0.02564102 -0.03605356 0.01127694
-13.81306937 5.04369322 8.96475310
0.00013553 -0.00005252 -0.00014849
-0.00440905 -0.01403299 0.00764956
-15.80276667 1.57775376 2.94146936
-0.00017504 -0.00011999 0.00001146
-0.02491111 -0.01654098 0.03972996
2.44131990 -19.69057698 13.32559912
-0.00023412 0.00011906 0.00004968
-0.04097510 0.05148407 -0.02639847
9.76108243 20.80512382 0.47310655
0.00033658 0.00009116 -0.00013750
-0.00768411 0.02035860 -0.00055459
-11.16583642 12.76836831 15.18577289
-0.00021429 0.00018594 0.00005210
-0.00238951 0.01955424 0.01695380
-6.02018733 1.15089082 -12.94657988
0.00004771 -0.00027753 0.00024202
0.01203045 -0.01445612 -0.02260920
-8.93655448 6.65864528 -6.84007812
0.00021073 0.00025644 0.00000220
0.00592135 0.00410219 -0.02107186
-7.49142690 -3.71738567 18.04880136
0.00032406 0.00004938 -0.00000197
-0.00104147 -0.00780690 -0.03499470
-23.38306450 -7.56343792 -23.50449079
-0.00029496 -0.00004565 -0.00032478
-0.02541849 -0.01681474 -0.00676780
8.39677692 13.06912856 6.57557458
0.00042810 0.00034746 0.00037252
0.00701125 -0.01557554 0.03430033
23.18332924 28.92340493 -3.13608422
-0.00038654 -0.00040428 0.00032698
0.00554359 -0.00499731 -0.01983155
9.35128513 -0.01675067 -14.61748959
0.00040765 0.00029716 -0.00004241
0.02300689 -0.02269786 -0.00911969
-9.06566491 -1.07053095 12.61174390
-0.00017407 -0.00014376 -0.00047075
0.01311622 -0.01030203 -0.04129917
-2.12535786 -25.92484584 10.51121328
-0.00006616 0.00001385 0.00021946
-0.00689553 -0.00344271 -0.01170295
-15.22151882 -4.11703013 -7.22685829
-0.00017189 0.00011060 -0.00014810
-0.00835507 -0.02721390 -0.02814958
-19.41306263 -11.00068704 -18.25238713
-0.00012490 -0.00023811 0.00019527
0.00066079 -0.02419587 0.00264594
21.22125039 5.35379889 4.65969917
-0.00040465 0.00022534 0.00002061
0.00440829 -0.02563034 0.00304412
19.31604148 -11.61611888 -13.33876872
0.00080344 0.00011664 0.00008976
-0.02786115 0.02451338 -0.00744596
-3.12463738 -0.29625471 -6.58734461
-0.00036381 -0.00009638 0.00015344
0.02246155 0.00091609 -0.01120683
-3.80917713 -3.18340918 -17.56241571
0.00033337 -0.00001210 -0.00010091
-0.01170340 0.04201978 0.00274964
14.22353914 16.41695801 -21.27343158
0.00018085 -0.00003999 -0.00011105
-0.00251288 0.01003504 0.00539230
-14.62424841 17.53246040 -13.31767530
0.00026625 0.00044765 -0.00005459
-0.00337286 0.04629467 0.04477193
1.48786823 15.09423893 7.97893404
-0.00033917 0.00006149 -0.00048022
-0.02333389 -0.00553884 0.03595073
-4.43524829 -9.23162658 3.93069190
0.00022643 0.00011607 -0.00014484
-0.01709197 0.00958092 0.02282584
2.12620380 -5.16943147 2.31233243
-0.00004582 0.00035326 -0.00008857
-0.04860289 -0.02869243 0.06238458
9.68025610 7.13840636 4.46435886
-0.00000050 0.00010033 -0.00011328
-0.01636873 0.01271009 -0.01705308
-9.25373550 -10.23151044 -2.70330530
0.00005157 -0.00040180 0.00032543
0.01190947 0.00358918 -0.00996365
3.47605524 -15.59220541 -13.12925074
-0.00017973 -0.00000384 -0.00016778
-0.01264204 -0.03608069 0.06407718
3.76822342 -5.70716962 -3.26504719
0.00003512 0.00006935 0.00033977
0.01467120 0.01273957 -0.01777218
18.40571700 1.94041026 24.52136963
-0.00007558 -0.00009285 -0.00020543
-0.00144412 -0.02064298 -0.00687454
-8.84955918 2.59610433 1.51958264
-0.00020615 -0.00028389 0.00002151
-0.01657101 -0.01378470 0.00454903
-6.06296105 12.66808177 -9.82118482
0.00042248 -0.00040809 0.00016639
0.00077034 -0.00282724 0.00071791
1.61934332 13.26697819 -7.62089516
-0.00004230 0.00017314 0.00013755
0.00195784 -0.00472943 0.01677906
-11.03090082 10.05922039 -12.52120086
-0.00048531 -0.00006446 0.00011506
-0.01569757 0.04500745 0.02070030
7.85579888 4.00252549 14.61401537
-0.00018650 -0.00035107 0.00010247
0.01527076 0.02849679 -0.02663442
-15.45723169 9.76554858 -7.95663670
0.00033480 0.00037684 0.00055865
-0.01879472 0.00157490 0.00286054
8.70288464 7.78856030 -3.04687533
-0.00035237 -0.00008775 -0.00001415
-0.03600001 -0.05369451 -0.04498701
14.16909063 -20.71776112 -26.72548673
-0.00001403 -0.00007865 0.00016342
0.01152108 0.03179305 -0.03194035
5.07269302 6.90597622 1.67007314
0.00017222 -0.00023779 0.00038281
-0.00070965 -0.00683966 -0.01676318
18.28430926 -5.85028438 -7.54617659
-0.00007337 -0.00005338 0.00012099
0.01792081 -0.00879874 -0.00575120
-1.93510529 -2.08145424 -2.07796516
-0.00014026 -0.00013107 0.00001738
0.02468637 -0.04695837 0.02701045
2.77640290 -2.08686261 -12.03143969
0.00013070 -0.00018955 -0.00002528
0.01180543 0.00969409 -0.00070602
19.66984498 9.26384985 -6.15623108
0.00008914 -0.00018042 0.00023676
-0.00920253 0.01073380 0.00617815
-7.60325007 5.77314211 8.83913320
-0.00028894 -0.00009024 -0.00040636
0.01270299 -0.03477634 -0.01307521
-1.79265573 -16.08383765 11.39233432
0.00018558 -0.00006579 -0.00010313
0.00222093 -0.01050052 0.01348161
7.58476661 -0.44929341 -4.64793712
0.00014461 0.00003230 -0.00023363
0.00720347 -0.00134062 0.04250382
-1.00611338 -12.15213607 0.65933190
-0.00013275 -0.00022622 0.00008603
-0.00401534 -0.00644435 -0.00414499
-19.97173362 -0.63816122 5.28984266
-0.00001743 0.00037998 0.00013261
0.01875003 -0.02648902 0.00304802
-6.42168142 7.90479501 -25.12326606
-0.00021932 0.00028730 -0.00037638
0.00415722 -0.00114319 0.01962869
2.50421420 1.94665778 -1.83217347
-0.00057193 0.00006885 -0.00007813
0.00263499 0.00461037 0.00101110
14.72438146 8.23550151 4.13358468
-0.00025095 -0.00004091 0.00005490
0.01436628 0.02330061 -0.00462689
-8.23818467 -6.89678688 10.29590281
0.00059853 -0.00033340 0.00006766
-0.01430914 0.03165342 -0.00413028
-10.13830934 -6.01582022 8.30025442
-0.00048260 0.00123390 0.00033292
-0.00773616 0.00035010 -0.00528720
-13.10053831 6.07456012 7.62906959
0.00008086 -0.00036066 -0.00055333
-0.00198288 -0.00371024 -0.01013960
-13.87199004 3.29211536 8.31389150
0.00036694 -0.00063182 0.00079403
0.00785352 0.01763888 0.01129881
-14.80760282 1.62687647 4.55548589
0.00095657 -0.00037252 -0.00035946
-0.01220428 0.00069371 -0.02342158
-17.47571221 0.72954501 3.56479685
0.00011029 0.00021070 0.00026524
0.03528117 0.01657388 -0.01027588
2.74586783 -21.28065993 12.71282602
-0.00087040 -0.00087168 0.00054223
0.01551821 -0.05304419 -0.01929893
3.10493671 -19.49142492 14.91784870
0.00099976 -0.00072464 0.00102575
0.02139212 0.00235110 0.04129955
9.20278093 19.06710546 0.41830206
-0.00012477 -0.00050695 -0.00163930
-0.00226283 -0.00793746 0.00571768
8.49921164 21.82914862 1.46651034
0.00145286 0.00025743 0.00003387
0.00541334 -0.01455854 -0.01093885
-10.51824061 12.21421336 16.96085123
0.00005565 -0.00102021 -0.00016524
-0.00539304 0.01884208 -0.02423304
-11.57117411 14.62198980 15.31964947
0.00077400 -0.00042803 0.00063588
0.00788846 -0.03582073 0.00012445
-5.97921331 -0.08887042 -14.30414866
-0.00016619 0.00047807 -0.00026797
0.00466728 0.01278979 -0.00302620
-6.57941574 0.10381430 -11.57502139
-0.00087040 0.00091213 -0.00056063
-0.01305164 0.00237983 0.02358882
-8.19053898 8.28983764 -6.46553895
0.00075432 0.00027516 -0.00062716
-0.00087682 -0.00888834 -0.00541547
-9.85686312 6.37295249 -5.32965449
0.00001082 0.00076943 0.00064414
-0.01462957 0.00129452 0.01699799
-7.58683359 -1.91895870 18.06419890
-0.00019294 -0.00126080 -0.00027537
0.00024434 0.01216704 -0.00226270
-7.28338971 -4.19114096 19.74101177
0.00052348 0.00014990 -0.00029722
0.00154274 -0.01233796 0.03558063
-24.83018343 -6.44467526 -23.31475446
-0.00030592 0.00022217 -0.00040471
0.01732344 0.00226750 -0.00399089
-21.84691567 -6.63314656 -23.52071674
0.00074253 -0.00124976 -0.00077557
0.00617101 0.01803979 0.00031563
8.62601849 13.11441157 4.77578667
0.00004024 0.00004360 -0.00098386
0.00747952 -0.00707764 -0.00577472
9.33135912 11.64980536 7.56387088
0.00064540 0.00047262 -0.00067458
-0.01218432 0.02737068 -0.02815285
23.91959688 27.36364615 -2.50729960
0.00144512 -0.00032316 -0.00003650
-0.00854796 0.00090039 0.00109573
23.04767139 30.09283330 -1.77678734
-0.00063834 -0.00072179 0.00068707
-0.00487399 0.00688840 0.01897158
11.01085181 -0.91170220 -14.46928878
-0.00049084 0.00032644 0.00023410
-0.02493469 0.02470117 0.00010462
8.25136114 -1.50061724 -14.64966882
0.00026549 0.00013897 -0.00039493
-0.00064214 0.00095337 0.00662774
-9.74352367 -1.00097361 14.25043929
-0.00006630 -0.00119940 0.00002772
-0.01062591 -0.00890633 0.01907392
-9.40265474 -2.66692226 11.65376318
0.00003156 -0.00019568 0.00107946
-0.00160153 0.01388678 0.02429955
-3.09917214 -26.42085334 12.02183777
-0.00038647 -0.00000530 -0.00098890
0.00450104 0.00006904 0.00094719
-3.34581239 -25.77503545 9.14490104
-0.00047664 0.00016561 0.00031350
0.00822578 0.00077682 0.00181119
-14.72494269 -2.57467914 -6.32809889
-0.00026789 0.00059587 -0.00013727
-0.00000112 0.00872118 -0.00222703
-16.14204578 -3.62523099 -8.74797525
0.00023941 -0.00058240 -0.00066024
0.00493746 -0.00095195 0.01571536
-18.98448057 -9.45578073 -19.04163508
0.00044138 0.00024105 -0.00128865
0.00569211 0.02367427 -0.00546021
-18.20787014 -12.22648699 -18.93516465
0.00008117 0.00089225 -0.00057305
-0.00322699 -0.00163951 0.00233867
22.66114992 5.77730822 3.59410666
0.00000158 0.00045941 0.00049876
-0.01678782 0.01784293 0.01302062
20.22176594 6.61235281 5.51842410
-0.00033601 0.00095575 0.00043333
0.01485605 0.00927592 -0.01314662
18.28541512 -10.85486144 -11.94761701
-0.00012494 0.00034002 0.00142431
0.00810984 -0.01491707 -0.00190618
18.48576040 -10.66232302 -14.71930524
0.00088774 0.00010132 -0.00022905
0.01318369 -0.01114811 0.00447567
-1.87769198 0.98084085 -7.08605255
0.00071841 -0.00154486 0.00100939
-0.01802636 -0.00560687 0.00544519
-4.74197325 0.40442711 -6.15333854
-0.00013254 0.00036365 -0.00017144
0.00100824 0.01008449 -0.00003985
-2.94458122 -4.44669593 -18.45044927
-0.00057849 0.00001571 -0.00069683
0.01157857 -0.02194446 -0.01267067
-3.63840260 -1.61836541 -18.61050842
-0.00009412 0.00050072 0.00011025
-0.00382268 -0.01255348 0.01305421
13.81641360 17.66885181 -19.95143024
-0.00000208 0.00058096 -0.00099601
0.00186260 -0.01702685 -0.01765606
12.59938960 15.78657698 -21.96520453
-0.00072885 0.00044990 0.00072129
0.00915999 0.00712266 0.01426536
-13.84087976 17.16647127 -11.66815016
-0.00071409 0.00002787 -0.00068638
-0.00549412 0.00214767 -0.01903547
-14.67574621 16.01249378 -14.20444623
0.00010341 0.00049114 -0.00073110
0.00262139 -0.05024606 -0.02450616
1.95490847 15.71356639 6.33473051
0.00068732 -0.00011283 0.00014044
-0.01425381 0.00904101 0.00166104
-0.04218202 15.85866647 8.91913586
0.00005650 -0.00013610 -0.00038078
0.03630246 -0.00635313 -0.03728243
-5.06431507 -8.15513059 2.62129759
0.00204744 0.00013756 -0.00018744
-0.01418212 0.00876528 -0.00407854
-3.24525730 -10.24516853 3.10111753
-0.00040539 0.00008950 0.00020642
0.02818118 -0.02217228 -0.02129329
1.27021094 -3.78952531 3.19484908
0.00018591 -0.00155863 -0.00006788
0.01229175 -0.00136407 -0.00830276
3.12081939 -4.49088809 1.10050375
-0.00012761 -0.00056831 0.00068969
0.04246466 0.03030450 -0.04968816
8.17653525 7.84710859 3.55304926
-0.00114023 0.00019552 -0.00033878
0.02580120 -0.01603471 0.01119684
11.23230142 7.92138681 3.81206624
0.00039549 0.00000454 -0.00086568
-0.00330817 -0.00091410 0.00527711
-7.72754776 -11.25614518 -2.38815297
-0.00077917 0.00046414 -0.00014487
-0.01746500 -0.00397441 0.00504235
-10.36703041 -9.94978024 -1.30540707
-0.00055292 0.00003772 0.00043090
0.00071506 0.00075579 0.01368780
5.23291804 -15.78448359 -12.55759270
-0.00012038 -0.00102477 -0.00080142
0.00378955 0.00336061 -0.02133862
2.75904451 -16.69933042 -11.64749167
-0.00029371 0.00061087 0.00051782
0.00528116 0.03087281 -0.04558517
4.90893944 -4.91510745 -4.53941382
-0.00076323 0.00034869 0.00058968
-0.02124613 0.00256550 -0.00442988
5.13461649 -6.63754406 -2.54441784
0.00094935 -0.00022580 0.00049834
0.00678509 -0.01903681 0.02275931
16.71181880 2.61838631 24.20242178
-0.00006402 0.00012601 0.00079935
0.00708911 -0.00047835 0.00784839
19.42967211 3.05033119 25.57797664
0.00008886 0.00038467 -0.00007831
-0.00684699 0.00871146 -0.00478156
-9.66654479 0.94005959 1.51417878
-0.00006072 -0.00042150 0.00000217
0.00817862 -0.00319942 -0.00976919
-10.00309989 3.38660767 2.69161815
-0.00008311 -0.00071787 0.00020042
0.00425486 0.01773467 0.00015699
-5.00424199 13.56975880 -8.58620234
-0.00009476 -0.00005896 0.00024152
-0.00362004 0.00554686 -0.00759344
-7.58770005 12.35629353 -8.86854921
0.00061235 -0.00010959 -0.00048702
-0.01043173 -0.00346802 -0.00265574
1.28551027 11.88580760 -6.48266904
0.00096157 0.00005887 -0.00007360
-0.01146137 -0.01963437 -0.01217257
1.85632412 14.39711165 -6.21114216
0.00025907 -0.00056321 -0.00021685
0.01256170 0.02407123 -0.00234925
-10.68784943 8.40833613 -12.99709763
-0.00015502 -0.00047251 -0.00072794
0.01071441 -0.04279438 -0.00991328
-11.88759664 9.97921357 -10.88736211
0.00057648 0.00045507 0.00022725
0.00412617 0.00014582 -0.00887827
7.74813244 5.31546449 13.24760591
-0.00013578 -0.00001158 0.00080069
-0.01890755 -0.01965826 0.01847991
9.67169485 3.94558151 14.44477087
0.00004753 -0.00011777 -0.00007378
0.00608240 -0.01268662 0.00933427
-14.19246265 10.78372539 -7.12002786
-0.00039609 0.00146730 -0.00017675
0.01063309 0.01175889 -0.00511208
-16.97478467 10.84134186 -7.94163170
0.00013411 -0.00018686 0.00007035
0.01188216 -0.00845744 -0.00190630
9.21914889 9.24621116 -2.22776879
0.00017859 -0.00044064 -0.00054514
0.00538333 0.04048861 0.00424783
7.71659590 7.99471591 -4.70770638
-0.00043612 -0.00014348 -0.00010941
0.02416495 0.00882287 0.04086875
14.48079356 -18.98242822 -27.43410796
0.00007204 0.00020323 -0.00000772
-0.00340079 -0.02507788 0.00449610
13.41061736 -20.31516902 -25.16473100
0.00014733 0.00022934 0.00019476
-0.00891395 0.00326806 0.02855121
4.94325364 5.09466245 2.21493734
-0.00048038 -0.00099715 -0.00015551
0.01378073 0.02223290 -0.01724848
5.64021491 7.06444219 -0.14758083
-0.00058094 0.00003178 -0.00033794
-0.00601481 -0.01315192 0.03325839
19.91344810 -6.25162446 -6.83907478
-0.00007695 0.00193486 -0.00070121
0.00194747 -0.00110844 0.00191446
17.32550611 -5.08487357 -6.22196229
-0.00107918 0.00039977 0.00001345
-0.01708138 0.01309738 0.01653859
-2.58868903 -0.84486929 -1.01524810
0.00013737 -0.00001900 0.00002384
-0.01488923 0.03071890 0.01893584
-2.08648979 -1.54308685 -3.75779456
-0.00005517 -0.00095550 0.00005356
-0.00915784 0.01662048 -0.03477149
3.98967658 -3.43802261 -12.28965096
-0.00073930 0.00053409 -0.00044831
-0.00326627 -0.00470599 -0.00026605
1.09368806 -2.77364279 -11.80216325
0.00005345 -0.00031801 -0.00005884
-0.00570441 -0.00721004 0.00223106
19.75138926 8.50586454 -7.79379008
0.00041352 0.00036524 -0.00062401
-0.00053567 -0.00790604 -0.01500314
20.86559297 8.29595346 -5.20102146
0.00089233 -0.00107020 0.00033703
0.01452115 -0.01115896 0.00907118
-7.00999661 3.85218328 8.94195862
0.00002892 -0.00085409 -0.00046849
-0.01565074 0.04323887 0.00370164
-7.23462899 6.59864961 10.40177996
0.00112877 -0.00050542 -0.00053238
0.00203551 -0.00214708 0.00788790
-2.15991770 -17.87131079 11.62083922
0.00054111 -0.00009849 -0.00012728
0.00201374 0.01075422 -0.00508035
-2.79127261 -15.49384806 10.00570574
0.00007789 -0.00090107 -0.00005934
-0.00672383 0.00257214 -0.00569235
8.44157145 -0.62396397 -2.96660921
-0.00046578 0.00075292 -0.00146203
-0.00648780 0.00887825 -0.01817892
7.53059169 1.24273963 -5.26738009
0.00015098 0.00062822 0.00017026
0.00748762 0.01754506 -0.00493247
0.34494207 -11.84856409 1.84731878
-0.00006279 -0.00008974 0.00009809
0.00825328 -0.00266990 0.01172261
-0.91972142 -10.59297789 -0.31513846
-0.00036846 -0.00011149 0.00043146
-0.00916000 0.00860679 -0.00593933
-19.56796880 -1.51352844 6.91901710
0.00049486 0.00106817 -0.00056761
0.00327913 0.00794080 -0.00841614
-21.24452526 0.43123225 5.89970576
-0.00053866 0.00021639 0.00053354
-0.02377260 0.02571468 0.00209446
-5.00829461 8.12792252 -26.20786132
-0.00097779 -0.00027175 0.00009300
0.01333401 0.01188226 -0.04290437
-5.31920114 7.51824651 -23.76479430
0.00109515 0.00049685 -0.00041040
-0.00364212 -0.00880063 0.03734773
4.15903363 1.68613783 -2.47090147
0.00018612 -0.00004043 0.00034802
0.01971612 0.00414416 -0.00720169
2.11168731 0.24201328 -1.41258701
0.00072923 0.00036804 -0.00030486
-0.01994829 -0.01237164 0.00439796
14.89771153 7.46005051 5.80677808
0.00030491 0.00095255 -0.00008711
0.00055587 0.00438377 0.00064549
15.66581160 9.88477089 4.11543786
-0.00097328 -0.00085367 0.00011199
-0.01778173 -0.02710228 0.00465328
1.52795681 -11.76863200 -13.89124053
0.00014624 0.00004532 -0.00015138
0.00554889 0.00641469 0.00168753
-13.56486556 14.62848514 22.74903029
-0.00001441 0.00013607 0.00015333
-0.00349260 -0.00130264 -0.00290183
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02495752
0.32904141
438.43117681
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1303839913
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3805564941 (a.u.)
total exchange computation time: 2.6305959225 s
-154.1728721718
-931.35485309
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1303839913
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3798072683 (a.u.)
total exchange computation time: 2.6300811768 s
-154.1801591918
Anderson extrapolation: theta=1.3651590076 (1.3651590076)
-931.35510538
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1303839913
ExchangeOperator: bisection time: 1.150 s
total exchange = -52.3786902267 (a.u.)
total exchange computation time: 2.6283249855 s
-154.1908174544
Anderson extrapolation: theta=0.0592095696 (0.0592095696)
-931.35526062
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1303839913
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3785560261 (a.u.)
total exchange computation time: 2.6277880669 s
-154.1920172549
Anderson extrapolation: theta=2.1908203598 (2.0000000000)
-931.35526822
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1303839913
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3782825037 (a.u.)
total exchange computation time: 2.6277852058 s
-154.1944356700
Anderson extrapolation: theta=0.3630076395 (0.3630076395)
-931.35527808
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1303839913
ExchangeOperator: bisection time: 1.150 s
total exchange = -52.3782023324 (a.u.)
total exchange computation time: 2.6286418438 s
-154.1951320550
Anderson extrapolation: theta=1.3832004679 (1.3832004679)
-931.35528086
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1303839913
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3781340425 (a.u.)
total exchange computation time: 2.6293630600 s
-154.1957204095
Anderson extrapolation: theta=0.4660087093 (0.4660087093)
-931.35528351
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1303839913
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3781438780 (a.u.)
total exchange computation time: 2.6297700405 s
-154.1956347467
Anderson extrapolation: theta=0.9395848702 (0.9395848702)
-931.35528433
-22.613083 -171.819147 -243.793979
-137.511574 457.817544 -804.776579
-160.124657 285.998398 -1048.570558
1098.606028
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1303839913
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3781835472 (a.u.)
total exchange computation time: 2.6274070740 s
679.09815324
-1084.39594539
89.68392239
-388.55225935
-174.81097202
78.65410348
551.60419304
0.00000000
-931.35528469
-9.22707353 -5.34358915 9.72052185
0.00006520 0.00005881 0.00016514
0.02842497 -0.03676802 0.01412990
-13.81105339 5.04285131 8.96255527
0.00013331 -0.00005991 -0.00014476
-0.00421592 -0.01472311 0.00684930
-15.80548833 1.57589015 2.94179453
-0.00018720 -0.00012826 0.00003197
-0.02239495 -0.01561662 0.04001357
2.43765011 -19.68859241 13.32624246
-0.00025334 0.00014409 0.00003876
-0.03379037 0.04583748 -0.01604819
9.76610155 20.80656974 0.47104187
0.00033299 0.00009989 -0.00013826
-0.00629483 0.01359456 -0.00239271
-11.16906004 12.77123287 15.18661980
-0.00021506 0.00019459 0.00006099
-0.00060745 0.01405882 0.01760615
-6.01942528 1.14667208 -12.94303678
0.00005453 -0.00028337 0.00022900
0.01447823 -0.00825916 -0.02802260
-8.93337066 6.66250767 -6.84012634
0.00021311 0.00025841 -0.00000759
0.00332109 0.00355276 -0.01699704
-7.48657006 -3.71667509 18.04863685
0.00032360 0.00004273 -0.00002045
-0.00073437 -0.01804907 -0.03686205
-23.38758700 -7.56418757 -23.50938858
-0.00030769 -0.00005416 -0.00032816
-0.02405666 -0.01625720 -0.00637887
8.40322542 13.07428036 6.58129473
0.00043181 0.00033992 0.00038702
0.00741073 -0.01374320 0.02207515
23.17755255 28.91732141 -3.13125606
-0.00038322 -0.00040749 0.00031732
0.00737768 -0.00745879 -0.01771014
9.35748869 -0.01238083 -14.61816090
0.00041806 0.00028569 -0.00004727
0.01745082 -0.02191727 -0.00977632
-9.06822542 -1.07272703 12.60452332
-0.00016780 -0.00014821 -0.00049010
0.01127562 -0.00700426 -0.03395743
-2.12637683 -25.92465132 10.51446006
-0.00006955 0.00001243 0.00021209
-0.00630119 -0.00210379 -0.01696345
-15.22412937 -4.11547614 -7.22918831
-0.00017601 0.00009710 -0.00016224
-0.00766964 -0.02529221 -0.02683519
-19.41493356 -11.00435198 -18.24944788
-0.00012395 -0.00024761 0.00019529
0.00301663 -0.01276806 -0.00256567
21.21519757 5.35708015 4.66002009
-0.00040303 0.00021319 0.00002268
0.00189959 -0.02163855 0.00499368
19.32798560 -11.61427467 -13.33745103
0.00078791 0.00013005 0.00008735
-0.03254045 0.02761769 -0.00193636
-3.13000785 -0.29769685 -6.58508630
-0.00035264 -0.00009688 0.00014787
0.02094535 -0.00286521 -0.01043516
-3.80422176 -3.18342865 -17.56391879
0.00032724 0.00000999 -0.00009941
-0.01213077 0.04390484 0.00308561
14.22624227 16.41639693 -21.27507650
0.00017887 -0.00003505 -0.00010868
-0.00521244 0.00914858 0.00383280
-14.62026767 17.53935370 -13.31832142
0.00026379 0.00047080 -0.00003359
-0.00618536 0.04375459 0.03686546
1.48269073 15.09513992 7.97186947
-0.00035087 0.00005805 -0.00046124
-0.02217070 -0.00782129 0.03786222
-4.43191770 -9.22984858 3.92860733
0.00021737 0.00012104 -0.00013198
-0.01815654 0.00976462 0.02718591
2.12532903 -5.16424319 2.31124455
-0.00007093 0.00033524 -0.00005609
-0.04906051 -0.04141573 0.06392385
9.68018545 7.13996027 4.46259384
-0.00000930 0.00010771 -0.00012298
-0.01784213 0.01600384 -0.02064444
-9.25291600 -10.23752353 -2.69846225
0.00005510 -0.00039854 0.00032058
0.00180923 0.00907915 -0.00889718
3.47331054 -15.59240219 -13.13152032
-0.00018635 -0.00002244 -0.00013469
-0.01310723 -0.03623758 0.06462604
3.76880681 -5.70608019 -3.26001923
0.00004357 0.00007453 0.00033204
0.01817829 0.00741054 -0.01226005
18.40457776 1.93893791 24.51826173
-0.00007576 -0.00010291 -0.00020835
0.00073917 -0.01849679 -0.00450847
-8.85271530 2.59179280 1.51992283
-0.00021454 -0.00029119 0.00002373
-0.01608272 -0.01461018 0.00406865
-6.05662094 12.66194945 -9.81868620
0.00042366 -0.00040941 0.00016618
0.00384677 -0.00229033 -0.00154378
1.61871636 13.26955701 -7.61876715
-0.00004130 0.00017015 0.00014500
0.00194155 -0.00687274 0.01216360
-11.03824099 10.05842705 -12.51939509
-0.00049243 -0.00004292 0.00012437
-0.01201303 0.03874800 0.01550921
7.85306027 3.99736931 14.61544963
-0.00017807 -0.00033668 0.00008906
0.01753227 0.02747103 -0.02549708
-15.45228217 9.77120722 -7.94824590
0.00032503 0.00037731 0.00056002
-0.01918295 0.00026453 0.00247373
8.69746020 7.78703699 -3.04726117
-0.00037124 -0.00011603 -0.00003761
-0.03735679 -0.05628207 -0.04621114
14.16892464 -20.71881829 -26.72315856
-0.00000813 -0.00006188 0.00014698
0.01141989 0.03343831 -0.03201302
5.07527357 6.90238299 1.67575062
0.00017188 -0.00024202 0.00037370
-0.00061703 -0.00959602 -0.01865787
18.28327788 -5.85111898 -7.54438389
-0.00006640 -0.00005704 0.00011832
0.00915936 -0.00543815 -0.00462215
-1.93711392 -2.08360145 -2.07760032
-0.00012754 -0.00015538 0.00003188
0.02476611 -0.04756243 0.02940222
2.77840899 -2.08966850 -12.03182155
0.00013512 -0.00018328 -0.00002522
0.00538473 0.01470196 0.00092221
19.67114656 9.26118488 -6.15265589
0.00008586 -0.00017650 0.00023991
-0.00352577 0.00453896 0.00606342
-7.60753522 5.77165443 8.83298731
-0.00028218 -0.00010873 -0.00041296
0.01358183 -0.03712675 -0.01256998
-1.78986354 -16.08486496 11.39083938
0.00018689 -0.00007129 -0.00009597
0.00290221 -0.01089857 0.01436985
7.58696350 -0.44881404 -4.65127762
0.00014736 0.00003303 -0.00021389
0.00348810 0.00416084 0.03425740
-1.00812016 -12.15555420 0.66060636
-0.00013462 -0.00022958 0.00008411
-0.00322980 -0.00662172 -0.00331158
-19.97192278 -0.63256369 5.29184351
-0.00000884 0.00036767 0.00013362
0.01467586 -0.02136559 0.00091193
-6.42495512 7.90910004 -25.12883599
-0.00021744 0.00028600 -0.00036368
0.00313231 -0.00390674 0.02974113
2.49564537 1.94770837 -1.83334153
-0.00056886 0.00007206 -0.00007844
0.00932285 0.00786911 -0.00221012
14.72067270 8.23497768 4.13439037
-0.00024429 -0.00002988 0.00005198
0.01149969 0.01959553 -0.00672856
-8.22964514 -6.90081791 10.29679111
0.00053578 -0.00020023 0.00004744
-0.01641113 0.03353517 -0.00576714
-10.14578533 -5.99730095 8.30508622
-0.00051535 0.00123211 0.00030862
-0.00829741 -0.00122715 -0.00660661
-13.09938623 6.06903651 7.62045893
0.00007190 -0.00037710 -0.00059385
-0.00240129 -0.00433825 -0.00969648
-13.86624531 3.28317854 8.32614817
0.00039921 -0.00055710 0.00083974
0.00794447 0.01893794 0.01107530
-14.79362821 1.62130989 4.54937628
0.00090383 -0.00036940 -0.00045656
-0.01361217 0.00083609 -0.02411166
-17.47297674 0.73321332 3.56846057
0.00025202 0.00027686 0.00022445
0.03409567 0.01581226 -0.00969075
2.73328729 -21.29536059 12.72036809
-0.00081062 -0.00107410 0.00046810
0.01374713 -0.04603969 -0.01698654
3.12058857 -19.50222245 14.93450056
0.00107606 -0.00071772 0.00116841
0.01595685 0.00103682 0.02853258
9.20083997 19.05925797 0.39388777
-0.00013151 -0.00052719 -0.00161410
-0.00103613 -0.00197040 0.00661774
8.52117036 21.83256394 1.46668315
0.00146937 0.00019880 -0.00000851
0.00266978 -0.01414346 -0.00980357
-10.51757117 12.19948764 16.95763010
0.00003283 -0.00094137 -0.00026533
-0.00577592 0.01974739 -0.02476078
-11.55932238 14.61447166 15.32919154
0.00080368 -0.00056445 0.00063697
0.00664220 -0.03095546 0.00040952
-5.98156307 -0.08130743 -14.30826087
-0.00014731 0.00052800 -0.00028054
0.00457369 0.01165046 -0.00313057
-6.59287167 0.11756919 -11.58270799
-0.00092852 0.00091172 -0.00045342
-0.01539997 -0.00257881 0.02889211
-8.17925106 8.29369273 -6.47511232
0.00074985 0.00023736 -0.00064917
-0.00130924 -0.00961646 -0.00535683
-9.85714907 6.38453365 -5.31947147
-0.00004307 0.00077697 0.00070470
-0.01175287 0.00239476 0.01264662
-7.58972014 -1.93749784 18.05999898
-0.00019314 -0.00118880 -0.00028460
-0.00034286 0.02307813 -0.00225261
-7.27549026 -4.18927059 19.73764380
0.00053022 0.00009803 -0.00014823
0.00175603 -0.01304874 0.03734934
-24.83424144 -6.44127329 -23.32094746
-0.00023189 0.00023135 -0.00042140
0.01891590 0.00222688 -0.00417908
-21.83558864 -6.65134016 -23.53234054
0.00076194 -0.00117723 -0.00077436
0.00333226 0.01746227 0.00027290
8.62685127 13.11484867 4.76085181
0.00006790 0.00001509 -0.00098716
0.00606057 -0.00687738 0.00415881
9.34066668 11.65773335 7.55288945
0.00059703 0.00058073 -0.00078516
-0.01149313 0.02554860 -0.02597563
23.94101172 27.35882631 -2.50781348
0.00140585 -0.00031271 -0.00003485
-0.01067207 0.00421728 -0.00029090
23.03794691 30.08221749 -1.76589999
-0.00065825 -0.00069462 0.00076300
-0.00487056 0.00641361 0.01820020
11.00272513 -0.90604874 -14.46577414
-0.00058228 0.00042277 0.00023551
-0.01982421 0.02245601 0.00058931
8.25532382 -1.49850352 -14.65538967
0.00026395 0.00014553 -0.00036744
-0.00011037 0.00225746 0.00682860
-9.74484377 -1.01923759 14.25143953
-0.00010561 -0.00123412 0.00009864
-0.00861506 -0.00808883 0.01564261
-9.40223040 -2.66943190 11.67069969
0.00002444 -0.00014663 0.00117095
-0.00188500 0.01012514 0.02048353
-3.10483125 -26.42093076 12.00703323
-0.00037217 -0.00000759 -0.00097544
0.00250054 -0.00119064 0.00564497
-3.35270994 -25.77252743 9.14965903
-0.00044004 0.00016890 0.00032170
0.00969241 0.00083096 0.00220494
-14.72896113 -2.56547382 -6.33022618
-0.00026964 0.00062653 -0.00014974
-0.00085291 0.00628412 -0.00387882
-16.13830328 -3.63399616 -8.75739722
0.00025958 -0.00058570 -0.00059574
0.00493324 -0.00066560 0.01585667
-18.97768545 -9.45143957 -19.06113222
0.00045739 0.00032066 -0.00130021
0.00214637 0.01529711 -0.00019797
-18.20675154 -12.21315350 -18.94368869
0.00007032 0.00087961 -0.00056341
-0.00208078 -0.00454497 0.00237899
22.66065926 5.78474614 3.60198700
-0.00006724 0.00053154 0.00055231
-0.01690324 0.01746509 0.01319341
20.21718097 6.62697327 5.52452126
-0.00027008 0.00098605 0.00037539
0.01741803 0.00555521 -0.01521870
18.28378949 -10.85021819 -11.92631079
-0.00008347 0.00027313 0.00140187
0.01219157 -0.01782734 -0.00907941
18.49948053 -10.66114488 -14.72260387
0.00094173 0.00005550 -0.00020738
0.01324519 -0.01127830 0.00613357
-1.86746827 0.95749621 -7.07074482
0.00064848 -0.00156112 0.00102931
-0.01620398 -0.00235408 0.00430465
-4.74393042 0.41019092 -6.15591131
-0.00012883 0.00040612 -0.00017105
0.00080730 0.01070288 0.00022973
-2.95290370 -4.44713279 -18.46129000
-0.00053056 -0.00007463 -0.00075007
0.01188050 -0.02227350 -0.01339045
-3.63993154 -1.61123929 -18.60845464
-0.00010938 0.00044668 0.00016438
-0.00364643 -0.01389823 0.01344293
13.81643946 17.67704448 -19.96691137
0.00000653 0.00051373 -0.00106482
0.00235018 -0.01588434 -0.01603015
12.58873754 15.79354367 -21.95394801
-0.00068701 0.00047880 0.00077915
0.01132022 0.00702708 0.01405610
-13.85175945 17.16695517 -11.67902916
-0.00073068 0.00003418 -0.00075252
-0.00262847 0.00094212 -0.01333862
-14.67411469 16.01832119 -14.21616372
0.00011455 0.00029309 -0.00082687
0.00282951 -0.04670058 -0.02237068
1.96478154 15.71215099 6.33688798
0.00062978 -0.00007340 0.00014248
-0.01391436 0.01026186 -0.00066093
-0.04022208 15.85643025 8.91228175
0.00020177 -0.00016005 -0.00053213
0.03480961 -0.00536722 -0.03680424
-5.03403805 -8.15279857 2.61836101
0.00198547 0.00017953 -0.00020979
-0.01615235 0.01177805 -0.00686284
-3.25047454 -10.24450541 3.10356128
-0.00028388 -0.00000773 0.00011674
0.03129689 -0.02542532 -0.02260486
1.27337627 -3.81294663 3.19357640
0.00022599 -0.00154674 -0.00009233
0.00732820 0.00718465 -0.00366241
3.12020651 -4.49848417 1.10932648
0.00005671 -0.00043634 0.00047395
0.04776157 0.03429985 -0.05591612
8.16022238 7.84955002 3.54831059
-0.00102540 0.00012569 -0.00028828
0.03040893 -0.01814478 0.01352361
11.23813241 7.92142683 3.79924277
0.00037532 -0.00000207 -0.00084136
-0.00656581 -0.00231897 0.00662642
-7.73977051 -11.24930489 -2.39017151
-0.00083674 0.00043902 -0.00012014
-0.01071489 -0.00832288 0.00706425
-10.37530229 -9.94919130 -1.29852416
-0.00054382 0.00003934 0.00048004
0.00374019 0.00003620 0.01036518
5.23122849 -15.79975213 -12.57026785
-0.00010377 -0.00101089 -0.00088842
0.00434121 0.00343170 -0.02125030
2.75480073 -16.68922129 -11.64112126
-0.00027178 0.00073689 0.00033043
0.00545295 0.03081458 -0.04614490
4.89683995 -4.90979855 -4.53070430
-0.00084565 0.00036119 0.00056761
-0.01910112 0.00355340 -0.00637751
5.14906472 -6.64151437 -2.53624534
0.00096582 -0.00029480 0.00058412
0.00127713 -0.01473913 0.01923127
16.71107577 2.62026181 24.21465250
-0.00003678 0.00012383 0.00082992
0.00624192 -0.00059123 0.00711580
19.43079517 3.05636825 25.57665544
0.00005834 0.00041607 -0.00010120
-0.00809161 0.00665872 -0.00642452
-9.66720504 0.93363911 1.51391201
-0.00002673 -0.00043397 -0.00003808
0.00845974 -0.00290836 -0.00993694
-10.00421619 3.37638300 2.69462926
-0.00006722 -0.00064409 0.00020256
0.00352618 0.01838424 0.00088973
-5.00577433 13.56904432 -8.58281225
-0.00010751 -0.00003533 0.00021163
-0.00262211 0.00602031 -0.00703925
-7.57883445 12.35454345 -8.87593582
0.00056256 -0.00012601 -0.00049393
-0.01394048 -0.00456894 -0.00073113
1.29958260 11.88608900 -6.48414599
0.00091357 -0.00002450 -0.00012164
-0.01203299 -0.02117357 -0.01134536
1.86059514 14.38940116 -6.21446685
0.00031129 -0.00045738 -0.00021883
0.01300123 0.02773394 0.00137907
-10.68984646 8.39993711 -13.00832044
-0.00011480 -0.00063264 -0.00076258
0.00897780 -0.03559125 -0.00704413
-11.87882300 9.98604415 -10.88422540
0.00059037 0.00045364 0.00019583
0.00267157 -0.00084839 -0.00650040
7.74551631 5.31468846 13.26018260
-0.00021405 -0.00008908 0.00087346
-0.01940482 -0.01827912 0.01714061
9.67259411 3.94342623 14.44395017
0.00006885 -0.00016977 -0.00003515
0.00435429 -0.01277087 0.00957517
-14.19807819 10.80609529 -7.12283569
-0.00034962 0.00151627 -0.00019610
0.01211594 0.01220954 -0.00436344
-16.97240893 10.83827986 -7.94063481
0.00018003 -0.00022031 0.00006224
0.01059839 -0.00791967 -0.00206724
9.22199275 9.24084220 -2.23581575
0.00020287 -0.00027040 -0.00052525
0.00649830 0.04284764 0.00548798
7.71079460 7.99283409 -4.70809512
-0.00033693 -0.00010692 0.00005714
0.02439040 0.00907345 0.04065838
14.48177001 -18.98014827 -27.43408592
0.00005743 0.00009793 0.00001184
-0.00375472 -0.02646479 0.00507655
13.41255411 -20.31162873 -25.16093476
0.00011184 0.00024222 0.00031002
-0.00845802 0.00303484 0.02787313
4.93647021 5.08038643 2.21207616
-0.00042312 -0.00090005 -0.00022697
0.01425085 0.02529783 -0.01773447
5.63131643 7.06451589 -0.15163071
-0.00060614 -0.00002235 -0.00019747
-0.00631739 -0.01334710 0.03549941
19.91235350 -6.22263547 -6.84953428
-0.00005902 0.00192797 -0.00068772
0.00682822 -0.00226609 0.00468808
17.30879492 -5.07847573 -6.22125375
-0.00114177 0.00044815 0.00007316
-0.01355472 0.01058520 0.01269023
-2.58708467 -0.84421290 -1.01431022
0.00007710 0.00010602 0.00009943
-0.01461367 0.03047649 0.01806557
-2.08759794 -1.55690998 -3.75805661
-0.00009363 -0.00088600 -0.00009129
-0.00966759 0.01739626 -0.03613668
3.97848700 -3.43015550 -12.29638373
-0.00074182 0.00050342 -0.00045131
0.00203317 -0.01030572 -0.00120211
1.09431503 -2.77863393 -11.80297748
0.00003216 -0.00034597 -0.00005023
-0.00471684 -0.00647251 0.00198256
19.75757570 8.51110089 -7.80360990
0.00041121 0.00033676 -0.00067564
-0.00059697 -0.00603730 -0.01027450
20.87942287 8.27955857 -5.19568806
0.00094003 -0.00110697 0.00036465
0.00882975 -0.00684359 0.00444908
-7.01004240 3.84069692 8.93504476
-0.00003619 -0.00067354 -0.00045395
-0.01622102 0.04513879 0.00341596
-7.21763502 6.59100248 10.39403601
0.00113668 -0.00051366 -0.00050042
0.00183740 -0.00188653 0.00775498
-2.15173927 -17.87245852 11.61877442
0.00054965 -0.00005588 -0.00014682
0.00216410 0.01010272 -0.00448464
-2.79031029 -15.50728530 10.00464125
0.00004887 -0.00088850 -0.00008550
-0.00748055 0.00358074 -0.00711210
8.43438601 -0.61239805 -2.98909665
-0.00048428 0.00078606 -0.00152067
-0.00257269 0.00734188 -0.01052724
7.53308586 1.25270063 -5.26497732
0.00018109 0.00069243 0.00015111
0.00725258 0.01388574 -0.00444185
0.34425320 -11.84999204 1.84914937
-0.00003048 -0.00010122 0.00014509
0.00755940 -0.00295025 0.01128564
-0.92552897 -10.59438654 -0.30884853
-0.00040609 -0.00007542 0.00040592
-0.00926371 0.00904871 -0.00656540
-19.56044543 -1.49726256 6.91024510
0.00051001 0.00109576 -0.00059464
0.00413849 0.00556593 -0.00481724
-21.25333357 0.43526614 5.90777308
-0.00062923 0.00031564 0.00053879
-0.02056158 0.02286899 0.00047287
-5.02255289 8.12421039 -26.20778103
-0.00091204 -0.00022131 -0.00009327
0.01885367 0.01280601 -0.04827467
-5.30288552 7.52542954 -23.76980580
0.00107174 0.00046391 -0.00026688
-0.00781785 -0.00732492 0.03290300
4.16242959 1.68565843 -2.46590179
0.00025771 -0.00002041 0.00032200
0.01532784 0.00565595 -0.00553653
2.12201444 0.24715470 -1.41702511
0.00064369 0.00030726 -0.00028348
-0.02192123 -0.01737587 0.00606644
14.90230218 7.47447306 5.80549119
0.00030641 0.00096572 -0.00007875
0.00018072 0.00206261 0.00344698
15.65066755 9.87113539 4.11726026
-0.00103940 -0.00095212 0.00012915
-0.01458409 -0.02109089 0.00374761
1.53016528 -11.76793504 -13.89350665
0.00014826 0.00004761 -0.00015075
0.00572464 0.00641272 0.00180296
-13.56508783 14.63052396 22.75132514
-0.00001523 0.00013577 0.00015265
-0.00358020 -0.00127443 -0.00295439
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02461508
0.33066961
440.60067873
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1320281233
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3826706426 (a.u.)
total exchange computation time: 2.6634199619 s
-154.1719331874
-931.35717989
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1320281233
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3818570323 (a.u.)
total exchange computation time: 2.6641471386 s
-154.1794082822
Anderson extrapolation: theta=1.3830715144 (1.3830715144)
-931.35742870
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1320281233
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3805783806 (a.u.)
total exchange computation time: 2.6646189690 s
-154.1906768989
Anderson extrapolation: theta=0.0667136618 (0.0667136618)
-931.35758524
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1320281233
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3803757435 (a.u.)
total exchange computation time: 2.6646380424 s
-154.1921792856
Anderson extrapolation: theta=2.3266281510 (2.0000000000)
-931.35759401
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1320281233
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3799365078 (a.u.)
total exchange computation time: 2.6629250050 s
-154.1953193498
Anderson extrapolation: theta=0.4293361917 (0.4293361917)
-931.35760574
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1320281233
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3797518938 (a.u.)
total exchange computation time: 2.6640710831 s
-154.1965378553
Anderson extrapolation: theta=1.0529711922 (1.0529711922)
-931.35760922
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1320281233
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3795922118 (a.u.)
total exchange computation time: 2.6625778675 s
-154.1974887350
Anderson extrapolation: theta=0.5446910768 (0.5446910768)
-931.35761175
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1320281233
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3795444838 (a.u.)
total exchange computation time: 2.6636390686 s
-154.1976669709
Anderson extrapolation: theta=0.7642530555 (0.7642530555)
-931.35761270
-22.599178 -171.801480 -243.833954
-137.489241 457.803747 -804.820438
-160.088419 286.002268 -1048.654392
1098.681771
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1320281233
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3795399548 (a.u.)
total exchange computation time: 2.6645250320 s
679.10364855
-1084.41384109
89.68636451
-388.54160211
-174.81264304
78.66502435
551.60419304
0.00000000
-931.35761313
-9.22598586 -5.34284878 9.72305345
0.00008034 0.00003989 0.00017297
0.03043675 -0.03681493 0.01633462
-13.80906994 5.04189581 8.96041028
0.00013110 -0.00006750 -0.00014138
-0.00441183 -0.01477136 0.00630309
-15.80838275 1.57390607 2.94242840
-0.00019797 -0.00013597 0.00005239
-0.01948406 -0.01436728 0.03940036
2.43371964 -19.68625422 13.32676200
-0.00026872 0.00016575 0.00003314
-0.02602403 0.03837777 -0.00582122
9.77107211 20.80812054 0.46895872
0.00033017 0.00010507 -0.00014006
-0.00466997 0.00652794 -0.00461035
-11.17228836 12.77420588 15.18760254
-0.00021491 0.00020016 0.00007009
0.00120073 0.00762441 0.01777068
-6.01855154 1.14238962 -12.93970986
0.00006257 -0.00028609 0.00021342
0.01680196 -0.00229711 -0.03258482
-8.93016122 6.66639748 -6.84030569
0.00021406 0.00026002 -0.00001519
0.00036515 0.00273343 -0.01256677
-7.48171888 -3.71610376 18.04818796
0.00032337 0.00003075 -0.00003947
-0.00014621 -0.02852673 -0.03711635
-23.39229509 -7.56506265 -23.51433558
-0.00031945 -0.00006234 -0.00033135
-0.02169825 -0.01556281 -0.00602548
8.40973109 13.07932613 6.58718518
0.00043557 0.00033346 0.00039527
0.00723170 -0.01139333 0.01001756
23.17183278 28.91118035 -3.12656453
-0.00037896 -0.00041178 0.00030889
0.00915673 -0.00925307 -0.01509342
9.36382688 -0.00818007 -14.61890763
0.00042537 0.00027479 -0.00005249
0.01096845 -0.02047224 -0.01052262
-9.07069895 -1.07497714 12.59704078
-0.00016254 -0.00015082 -0.00050538
0.00919218 -0.00316069 -0.02543850
-2.12744441 -25.92447302 10.51757598
-0.00007251 0.00001169 0.00020206
-0.00519472 -0.00078171 -0.02205354
-15.22679910 -4.11411727 -7.23172535
-0.00017971 0.00008462 -0.00017556
-0.00671523 -0.02322254 -0.02498820
-19.41678121 -11.00811542 -18.24652842
-0.00012181 -0.00025130 0.00019262
0.00530058 -0.00158426 -0.00780404
21.20915941 5.36019448 4.66037953
-0.00040270 0.00020304 0.00002575
-0.00062329 -0.01780850 0.00696607
19.33967869 -11.61221741 -13.33614829
0.00077024 0.00014484 0.00008765
-0.03616799 0.02990573 0.00310143
-3.13521673 -0.29916109 -6.58290849
-0.00034242 -0.00009933 0.00014274
0.01880650 -0.00668280 -0.00952396
-3.79935998 -3.18310941 -17.56539806
0.00032106 0.00003266 -0.00009783
-0.01188719 0.04424966 0.00305442
14.22890519 16.41590644 -21.27669185
0.00017559 -0.00003065 -0.00010717
-0.00752259 0.00796587 0.00201479
-14.61633464 17.54658455 -13.31868314
0.00025980 0.00049223 -0.00001716
-0.00935499 0.03954685 0.02704449
1.47734220 15.09598058 7.96509699
-0.00036178 0.00005336 -0.00044153
-0.02027446 -0.01042301 0.03875812
-4.42872719 -9.22799524 3.92673248
0.00020800 0.00012594 -0.00011721
-0.01829713 0.00927153 0.03025687
2.12407576 -5.15937442 2.31064983
-0.00009547 0.00031095 -0.00002382
-0.04633743 -0.05302543 0.06156313
9.67997715 7.14163765 4.46066956
-0.00001867 0.00011664 -0.00013436
-0.01861345 0.01872183 -0.02361546
-9.25208254 -10.24346657 -2.69368784
0.00005326 -0.00039236 0.00031630
-0.00896815 0.01493548 -0.00776980
3.47046471 -15.59287853 -13.13329134
-0.00019313 -0.00004093 -0.00010157
-0.01326479 -0.03566533 0.06416381
3.76953043 -5.70493360 -3.25508584
0.00005377 0.00007692 0.00032723
0.02148169 0.00186671 -0.00645782
18.40344423 1.93732287 24.51511904
-0.00007482 -0.00011187 -0.00021007
0.00292344 -0.01633252 -0.00218044
-8.85599550 2.58736855 1.52029441
-0.00022268 -0.00029886 0.00002570
-0.01554918 -0.01520403 0.00362417
-6.05025116 12.65579946 -9.81619949
0.00042637 -0.00041046 0.00016480
0.00669483 -0.00179921 -0.00380467
1.61810438 13.27208282 -7.61654530
-0.00004032 0.00016609 0.00015017
0.00187020 -0.00894443 0.00793955
-11.04567383 10.05793264 -12.51746967
-0.00049756 -0.00002495 0.00013081
-0.00792597 0.03114463 0.00953819
7.85045692 3.99242505 14.61668720
-0.00016847 -0.00032301 0.00007644
0.01978755 0.02568375 -0.02358186
-15.44748064 9.77686791 -7.93983601
0.00031527 0.00037714 0.00056126
-0.01877897 -0.00094443 0.00235275
8.69174757 7.78507948 -3.04800353
-0.00039047 -0.00014516 -0.00006118
-0.03744403 -0.05699360 -0.04546373
14.16884675 -20.71961749 -26.72107737
-0.00000245 -0.00004439 0.00013085
0.01066435 0.03456601 -0.03071705
5.07784937 6.89871574 1.68128417
0.00017153 -0.00024752 0.00036375
-0.00073065 -0.01182399 -0.02002645
18.28231716 -5.85199554 -7.54262686
-0.00006399 -0.00005896 0.00011636
0.00022411 -0.00204581 -0.00300903
-1.93893149 -2.08611560 -2.07700864
-0.00011498 -0.00017955 0.00004744
0.02409428 -0.04642933 0.03109562
2.78045662 -2.09236098 -12.03219630
0.00013615 -0.00017433 -0.00002424
-0.00140093 0.02009072 0.00288462
19.67242093 9.25855492 -6.14903392
0.00008550 -0.00017577 0.00024288
0.00211307 -0.00172726 0.00550932
-7.61171559 5.76988032 8.82674444
-0.00027501 -0.00012817 -0.00041917
0.01431465 -0.03847475 -0.01159580
-1.78704895 -16.08597636 11.38945531
0.00018851 -0.00007686 -0.00008846
0.00337803 -0.01074344 0.01482582
7.58918731 -0.44830256 -4.65435383
0.00014805 0.00003671 -0.00019872
-0.00079461 0.01014122 0.02473829
-1.01015186 -12.15902342 0.66185526
-0.00013601 -0.00023296 0.00008265
-0.00218836 -0.00651411 -0.00236455
-19.97199871 -0.62713099 5.29385138
-0.00000258 0.00035821 0.00013354
0.00966187 -0.01543563 -0.00125576
-6.42820466 7.91337493 -25.13417648
-0.00021579 0.00028333 -0.00034596
0.00327036 -0.00647037 0.03918552
2.48714847 1.94881967 -1.83452664
-0.00056234 0.00007678 -0.00008037
0.01603043 0.01045503 -0.00528866
14.71705266 8.23460501 4.13514414
-0.00023928 -0.00002107 0.00004802
0.00801347 0.01468602 -0.00867530
-8.22211139 -6.90279369 10.29732597
0.00046537 -0.00006093 0.00002105
-0.01805200 0.03465337 -0.00714822
-10.15376983 -5.97885689 8.30951312
-0.00054990 0.00122427 0.00027970
-0.00861732 -0.00261244 -0.00755225
-13.09838133 6.06324703 7.61125401
0.00006131 -0.00039612 -0.00063222
-0.00278138 -0.00497224 -0.00908628
-13.86001370 3.27540236 8.33908361
0.00043174 -0.00047838 0.00088421
0.00797688 0.01959528 0.01069553
-14.78048783 1.61579455 4.54178897
0.00084607 -0.00036566 -0.00055534
-0.01466363 0.00099554 -0.02423957
-17.46815167 0.73785069 3.57153038
0.00038748 0.00033924 0.00018647
0.03221409 0.01472724 -0.00890115
2.72154926 -21.31288286 12.72686913
-0.00075835 -0.00124587 0.00040389
0.01184113 -0.03804618 -0.01444592
3.13721837 -19.51295645 14.95290107
0.00112946 -0.00071597 0.00125814
0.01018697 -0.00018243 0.01538999
9.19883552 19.05128973 0.36987906
-0.00013316 -0.00052316 -0.00158503
0.00023018 0.00394172 0.00761350
8.54329270 21.83511247 1.46625514
0.00147423 0.00014248 -0.00004572
-0.00029188 -0.01342334 -0.00841081
-10.51725570 12.18597216 16.95289147
0.00000870 -0.00085927 -0.00036685
-0.00603849 0.02044461 -0.02493580
-11.54706358 14.60505639 15.33875870
0.00082794 -0.00067876 0.00063940
0.00523287 -0.02500320 0.00077663
-5.98363253 -0.07303042 -14.31256494
-0.00012890 0.00057285 -0.00029368
0.00443924 0.01030520 -0.00330023
-6.60727139 0.13116603 -11.58862390
-0.00099599 0.00089201 -0.00032609
-0.01762660 -0.00707264 0.03343633
-8.16804337 8.29695846 -6.48501400
0.00074383 0.00019710 -0.00067077
-0.00163896 -0.01009137 -0.00521511
-9.85815531 6.39626158 -5.30851338
-0.00008469 0.00078905 0.00074659
-0.00861698 0.00351925 0.00785823
-7.59262770 -1.95462261 18.05566100
-0.00019589 -0.00107277 -0.00029378
-0.00100437 0.03372007 -0.00224416
-7.26748319 -4.18819994 19.73656483
0.00053744 0.00004428 0.00000476
0.00178023 -0.01326362 0.03754115
-24.83714017 -6.43773484 -23.32739658
-0.00015227 0.00024081 -0.00043877
0.02006063 0.00240647 -0.00432138
-21.82405739 -6.66846357 -23.54394762
0.00076871 -0.00110775 -0.00077331
-0.00002008 0.01654920 0.00024366
8.62805548 13.11486428 4.74617182
0.00009004 -0.00001234 -0.00095131
0.00477955 -0.00655218 0.01339222
9.34926988 11.66722712 7.54031607
0.00055226 0.00068021 -0.00088596
-0.01042201 0.02314858 -0.02336729
23.96177251 27.35426493 -2.50834519
0.00135791 -0.00028913 -0.00003871
-0.01279629 0.00732548 -0.00159812
23.02792394 30.07199476 -1.75389722
-0.00067806 -0.00067028 0.00083464
-0.00482589 0.00550157 0.01686775
10.99338350 -0.89901903 -14.46222338
-0.00065087 0.00050877 0.00023917
-0.01375385 0.01964121 0.00120228
8.25927973 -1.49625146 -14.66069201
0.00026452 0.00015727 -0.00033912
0.00038635 0.00349034 0.00703507
-9.74669185 -1.03799731 14.25339846
-0.00013612 -0.00126520 0.00015408
-0.00631939 -0.00712203 0.01149642
-9.40192159 -2.67132102 11.68889156
0.00001598 -0.00011421 0.00124608
-0.00225404 0.00574023 0.01629324
-3.11033711 -26.42108114 11.99257465
-0.00036626 -0.00001522 -0.00094266
0.00038805 -0.00254510 0.01040211
-3.35901347 -25.76996848 9.15455216
-0.00039791 0.00017246 0.00033101
0.01092901 0.00091069 0.00234887
-14.73303184 -2.55588338 -6.33259119
-0.00027489 0.00064689 -0.00016899
-0.00171898 0.00368696 -0.00554259
-16.13425844 -3.64280212 -8.76584740
0.00027921 -0.00058762 -0.00053156
0.00467900 -0.00027155 0.01555931
-18.97075880 -9.44616090 -19.08064148
0.00045898 0.00036648 -0.00129017
-0.00136758 0.00713208 0.00511254
-18.20576047 -12.20009855 -18.95206694
0.00006423 0.00085530 -0.00055370
-0.00090348 -0.00735476 0.00237141
22.65913267 5.79325442 3.61067592
-0.00013579 0.00060209 0.00060596
-0.01665157 0.01707035 0.01306962
20.21366348 6.64193419 5.52968573
-0.00019444 0.00100163 0.00030952
0.01960966 0.00207492 -0.01702523
18.28291104 -10.84666751 -11.90556101
-0.00002669 0.00019555 0.00135196
0.01560402 -0.02014816 -0.01535206
18.51401240 -10.66065795 -14.72552660
0.00099547 0.00000975 -0.00017971
0.01305809 -0.01111620 0.00740844
-1.85823764 0.93400729 -7.05517326
0.00058686 -0.00156373 0.00104440
-0.01395958 0.00107834 0.00308003
-4.74583811 0.41661066 -6.15847000
-0.00012554 0.00045082 -0.00016964
0.00080057 0.01117773 0.00045988
-2.96049806 -4.44893470 -18.47295139
-0.00048276 -0.00016423 -0.00080482
0.01151843 -0.02158951 -0.01341019
-3.64168396 -1.60496494 -18.60557700
-0.00012375 0.00038801 0.00021942
-0.00338813 -0.01482316 0.01349874
13.81660936 17.68426366 -19.98337491
0.00001694 0.00045215 -0.00112607
0.00274758 -0.01425996 -0.01395267
12.57877926 15.80094102 -21.94183005
-0.00063697 0.00050691 0.00083572
0.01317733 0.00673036 0.01363408
-13.86280023 17.16749681 -11.69072564
-0.00073503 0.00003515 -0.00079385
0.00049896 -0.00046996 -0.00689360
-14.67230975 16.02128649 -14.22925222
0.00012674 0.00011309 -0.00091167
0.00313961 -0.04141054 -0.01914049
1.97380185 15.71136450 6.33900495
0.00057371 -0.00002903 0.00013546
-0.01353042 0.01145784 -0.00277397
-0.03612879 15.85386510 8.90317205
0.00033878 -0.00017890 -0.00067960
0.03225677 -0.00386253 -0.03538400
-5.00475094 -8.14974473 2.61500384
0.00191629 0.00023293 -0.00024264
-0.01771351 0.01436392 -0.00921683
-3.25377372 -10.24540052 3.10461967
-0.00015235 -0.00011606 0.00002334
0.03309056 -0.02760375 -0.02311484
1.27699072 -3.83592763 3.19207927
0.00024463 -0.00149851 -0.00009647
0.00179646 0.01642790 0.00163648
3.12252076 -4.50397814 1.11472233
0.00025744 -0.00029171 0.00023924
0.05049448 0.03649375 -0.05897509
8.14577316 7.85087942 3.54440074
-0.00089367 0.00004824 -0.00022946
0.03407521 -0.01976919 0.01526876
11.24356101 7.92132473 3.78682542
0.00034242 -0.00001413 -0.00081170
-0.00953803 -0.00358532 0.00789244
-7.75264993 -11.24297467 -2.39175711
-0.00086542 0.00039535 -0.00008704
-0.00332585 -0.01305196 0.00913607
-10.38334494 -9.94860014 -1.29100600
-0.00052222 0.00003797 0.00051542
0.00683214 -0.00070450 0.00695718
5.22980500 -15.81481036 -12.58424534
-0.00008495 -0.00099685 -0.00097486
0.00486897 0.00344328 -0.02106018
2.75089114 -16.67722365 -11.63757889
-0.00024977 0.00086148 0.00014242
0.00531947 0.03017109 -0.04588437
4.88356982 -4.90427187 -4.52238562
-0.00091877 0.00037786 0.00053734
-0.01668964 0.00460855 -0.00843829
5.16359121 -6.64638798 -2.52689422
0.00095968 -0.00034598 0.00065517
-0.00428451 -0.01031509 0.01554633
16.71071529 2.62210108 24.22731931
-0.00001325 0.00012122 0.00085741
0.00527769 -0.00068539 0.00634238
19.43142233 3.06281340 25.57494050
0.00002299 0.00043913 -0.00013065
-0.00921503 0.00462784 -0.00798778
-9.66734682 0.92704039 1.51303625
0.00000819 -0.00044529 -0.00007884
0.00863504 -0.00263018 -0.01001294
-10.00511639 3.36728503 2.69769490
-0.00005411 -0.00056808 0.00020740
0.00288866 0.01882104 0.00148080
-5.00746737 13.56869880 -8.57985357
-0.00011616 -0.00000973 0.00018413
-0.00160918 0.00651191 -0.00642018
-7.57082320 12.35251335 -8.88336725
0.00049905 -0.00014668 -0.00049342
-0.01715019 -0.00555290 0.00098430
1.31291746 11.88507275 -6.48631825
0.00086351 -0.00011320 -0.00016657
-0.01247560 -0.02224601 -0.01064815
1.86566296 14.38339037 -6.21770702
0.00036516 -0.00033769 -0.00020619
0.01336429 0.03085192 0.00480787
-10.69129328 8.38935684 -13.01997496
-0.00008222 -0.00076080 -0.00078449
0.00696942 -0.02714346 -0.00368410
-11.86988564 9.99282274 -10.88148706
0.00059809 0.00044812 0.00017479
0.00111049 -0.00185488 -0.00380366
7.74171092 5.31279217 13.27380977
-0.00029397 -0.00015978 0.00093928
-0.01971663 -0.01632944 0.01507931
9.67376023 3.94048828 14.44371630
0.00008292 -0.00022191 0.00000421
0.00253451 -0.01274762 0.00969067
-14.20295118 10.82921347 -7.12591094
-0.00029799 0.00156637 -0.00021298
0.01315815 0.01231467 -0.00389964
-16.96938365 10.83473250 -7.93976462
0.00022001 -0.00025112 0.00005346
0.00896808 -0.00716123 -0.00222997
9.22523486 9.23809921 -2.24352637
0.00023048 -0.00009430 -0.00050229
0.00702074 0.04335524 0.00575388
7.70648810 7.99150835 -4.70599207
-0.00023796 -0.00006929 0.00022093
0.02405350 0.00934749 0.03951554
14.48251634 -18.97949024 -27.43375276
0.00004160 -0.00001154 0.00003323
-0.00399130 -0.02712177 0.00539518
13.41397250 -20.30790244 -25.15543028
0.00007925 0.00025366 0.00042037
-0.00749323 0.00256638 0.02614367
4.93056017 5.06766081 2.20812810
-0.00036415 -0.00079183 -0.00029978
0.01461372 0.02767746 -0.01790188
5.62203078 7.06377160 -0.15350498
-0.00063206 -0.00007696 -0.00004955
-0.00636934 -0.01338407 0.03690790
19.91167737 -6.19378535 -6.85970647
-0.00002157 0.00191682 -0.00066322
0.01150544 -0.00319033 0.00730601
17.29125300 -5.07142916 -6.21976748
-0.00118926 0.00048583 0.00011657
-0.00969270 0.00786314 0.00855850
-2.58637593 -0.84168873 -1.01226518
0.00001917 0.00022769 0.00016947
-0.01374496 0.02908309 0.01621980
-2.08929859 -1.56966696 -3.76053335
-0.00013389 -0.00081439 -0.00023842
-0.01004404 0.01766119 -0.03588485
3.96742202 -3.42291999 -12.30319017
-0.00072240 0.00044966 -0.00045822
0.00747146 -0.01600892 -0.00218222
1.09465292 -2.78402174 -11.80367022
0.00001511 -0.00037071 -0.00004268
-0.00363183 -0.00564075 0.00171429
19.76372556 8.51596724 -7.81405941
0.00040858 0.00031599 -0.00070738
-0.00069024 -0.00412662 -0.00526265
20.89379391 8.26274427 -5.19008199
0.00096471 -0.00112621 0.00037369
0.00324870 -0.00257244 -0.00002140
-7.01108232 3.83197695 8.92834025
-0.00010317 -0.00048672 -0.00044058
-0.01656636 0.04631310 0.00312838
-7.20052844 6.58323972 10.38676733
0.00114353 -0.00052122 -0.00046982
0.00151135 -0.00181176 0.00722418
-2.14342821 -17.87298710 11.61643476
0.00055869 -0.00001673 -0.00016379
0.00226289 0.00906212 -0.00382435
-2.78980642 -15.52050309 10.00314088
0.00001730 -0.00087212 -0.00011673
-0.00797333 0.00443564 -0.00817852
8.42704291 -0.60038218 -3.01222927
-0.00048566 0.00081274 -0.00154582
0.00190091 0.00571828 -0.00178641
7.53602452 1.26351264 -5.26284679
0.00021020 0.00074091 0.00013406
0.00699345 0.00984526 -0.00390605
0.34402761 -11.85160080 1.85167162
-0.00000156 -0.00011384 0.00018971
0.00659570 -0.00322772 0.01055309
-0.93190425 -10.59524063 -0.30296097
-0.00044408 -0.00003806 0.00037822
-0.00933024 0.00924239 -0.00699032
-19.55266843 -1.48065557 6.90117787
0.00052883 0.00111348 -0.00060631
0.00507091 0.00310475 -0.00089496
-21.26340202 0.44070158 5.91586938
-0.00070502 0.00040190 0.00053674
-0.01654042 0.01935583 -0.00147551
-5.03565570 8.12128308 -26.21065931
-0.00082581 -0.00016769 -0.00029912
0.02335343 0.01344550 -0.05249401
-5.28704903 7.53216366 -23.77280080
0.00103092 0.00043725 -0.00014267
-0.01216235 -0.00572418 0.02790178
4.16676493 1.68552566 -2.46124142
0.00031059 0.00000564 0.00030296
0.01055550 0.00709496 -0.00378200
2.13099810 0.25123123 -1.42109141
0.00055082 0.00022757 -0.00025582
-0.02354074 -0.02163550 0.00747400
14.90690391 7.48902202 5.80441555
0.00030640 0.00096947 -0.00005912
-0.00018836 -0.00022605 0.00616047
15.63462969 9.85620730 4.11931233
-0.00109120 -0.00102366 0.00014246
-0.01077339 -0.01393091 0.00276855
1.53240448 -11.76720366 -13.89576308
0.00015033 0.00004991 -0.00015008
0.00588876 0.00640847 0.00193881
-13.56532256 14.63255834 22.75360971
-0.00001607 0.00013548 0.00015196
-0.00367058 -0.00125310 -0.00300101
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02534060
0.33227253
442.73649359
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1313358572
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3817104976 (a.u.)
total exchange computation time: 2.5659818649 s
-154.1726240660
-931.35838138
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1313358572
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3810314384 (a.u.)
total exchange computation time: 2.5651030540 s
-154.1794712220
Anderson extrapolation: theta=1.3726499451 (1.3726499451)
-931.35862216
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1313358572
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3800183387 (a.u.)
total exchange computation time: 2.5688059330 s
-154.1894462198
Anderson extrapolation: theta=0.0621229481 (0.0621229481)
-931.35877144
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1313358572
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3798977642 (a.u.)
total exchange computation time: 2.5662198067 s
-154.1905232713
Anderson extrapolation: theta=2.1739433501 (2.0000000000)
-931.35877897
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1313358572
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3796548331 (a.u.)
total exchange computation time: 2.5698280334 s
-154.1926535240
Anderson extrapolation: theta=0.3316173929 (0.3316173929)
-931.35878857
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1313358572
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3795922487 (a.u.)
total exchange computation time: 2.5637879372 s
-154.1931778832
Anderson extrapolation: theta=1.2862226709 (1.2862226709)
-931.35879102
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1313358572
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3795470370 (a.u.)
total exchange computation time: 2.5680131912 s
-154.1935343312
Anderson extrapolation: theta=0.4137595072 (0.4137595072)
-931.35879326
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1313358572
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3795613583 (a.u.)
total exchange computation time: 2.5670969486 s
-154.1933908563
Anderson extrapolation: theta=0.9513014337 (0.9513014337)
-931.35879397
-22.580798 -171.777643 -243.879416
-137.465309 457.792662 -804.865258
-160.046108 286.015020 -1048.744674
1098.765098
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1313358572
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3795979470 (a.u.)
total exchange computation time: 2.6658442020 s
679.09973850
-1084.40701869
89.68949561
-388.54865583
-174.81275603
78.65976636
551.60419304
0.00000000
-931.35879438
-9.22466337 -5.34239243 9.72571106
0.00009630 0.00002110 0.00018175
0.03164232 -0.03625738 0.01781282
-13.80712052 5.04082636 8.95831392
0.00012887 -0.00007494 -0.00013823
-0.00425793 -0.01418599 0.00595035
-15.81142749 1.57181115 2.94336622
-0.00020715 -0.00014295 0.00007228
-0.01619386 -0.01277758 0.03793175
2.42958841 -19.68361997 13.32723663
-0.00028006 0.00018307 0.00003259
-0.01806710 0.02896968 0.00367357
9.77600664 20.80972171 0.46684001
0.00032825 0.00010660 -0.00014308
-0.00280159 -0.00056960 -0.00714173
-11.17550741 12.77723772 15.18872237
-0.00021383 0.00020222 0.00007913
0.00299518 0.00037639 0.01740888
-6.01754818 1.13808944 -12.93663432
0.00007174 -0.00028589 0.00019579
0.01885595 0.00308555 -0.03595427
-8.92694896 6.67030838 -6.84058200
0.00021344 0.00026116 -0.00002047
-0.00277219 0.00169682 -0.00797186
-7.47686882 -3.71575250 18.04745273
0.00032352 0.00001350 -0.00005822
0.00069680 -0.03857664 -0.03577484
-23.39717058 -7.56605778 -23.51932906
-0.00032979 -0.00007016 -0.00033437
-0.01849684 -0.01484031 -0.00571848
8.41629254 13.08428402 6.59315291
0.00043909 0.00032834 0.00039745
0.00644831 -0.00851620 -0.00153753
23.16618364 28.90496790 -3.12198945
-0.00037383 -0.00041682 0.00030190
0.01079920 -0.01031991 -0.01207932
9.37024969 -0.00413724 -14.61973554
0.00042912 0.00026481 -0.00005812
0.00364130 -0.01830882 -0.01137219
-9.07310155 -1.07725164 12.58936199
-0.00015838 -0.00015136 -0.00051607
0.00699216 0.00105466 -0.01615560
-2.12855206 -25.92430075 10.52052175
-0.00007486 0.00001161 0.00018952
-0.00395619 0.00049627 -0.02671493
-15.22952063 -4.11293756 -7.23445517
-0.00018286 0.00007322 -0.00018782
-0.00552193 -0.02111986 -0.02269003
-19.41858797 -11.01189109 -18.24366917
-0.00011853 -0.00024943 0.00018731
0.00746634 0.00885698 -0.01286368
21.20311643 5.36317142 4.66079272
-0.00040366 0.00019480 0.00002983
-0.00307295 -0.01424463 0.00889014
19.35109275 -11.60992943 -13.33482162
0.00075095 0.00016060 0.00009042
-0.03884225 0.03138218 0.00767781
-3.14028052 -0.30067689 -6.58080415
-0.00033344 -0.00010374 0.00013810
0.01610648 -0.01045398 -0.00852175
-3.79458991 -3.18244879 -17.56685376
0.00031518 0.00005512 -0.00009637
-0.01099737 0.04307737 0.00264999
14.23151007 16.41547739 -21.27829166
0.00017124 -0.00002692 -0.00010665
-0.00939025 0.00652675 -0.00000160
-14.61247379 17.55412049 -13.31883622
0.00025410 0.00051118 -0.00000616
-0.01278261 0.03414914 0.01574757
1.47183725 15.09674082 7.95862351
-0.00037145 0.00004731 -0.00042161
-0.01730395 -0.01313491 0.03871934
-4.42567783 -9.22607038 3.92509106
0.00019881 0.00013041 -0.00010125
-0.01742245 0.00809504 0.03181153
2.12246502 -5.15491472 2.31053005
-0.00011773 0.00028111 0.00000619
-0.04023559 -0.06302253 0.05511189
9.67962525 7.14345946 4.45856309
-0.00002830 0.00012680 -0.00014708
-0.01880577 0.02078334 -0.02584849
-9.25131827 -10.24929440 -2.68897338
0.00004580 -0.00038313 0.00031259
-0.02004969 0.02098456 -0.00665461
3.46751655 -15.59363002 -13.13456735
-0.00019988 -0.00005895 -0.00006894
-0.01299120 -0.03442824 0.06271337
3.77041978 -5.70377260 -3.25020228
0.00006556 0.00007646 0.00032543
0.02437995 -0.00366720 -0.00056417
18.40233325 1.93558183 24.51195953
-0.00007277 -0.00011972 -0.00021062
0.00502723 -0.01420768 0.00005158
-8.85939566 2.58282701 1.52069395
-0.00023054 -0.00030677 0.00002747
-0.01500231 -0.01554496 0.00325488
-6.04382972 12.64963559 -9.81374213
0.00043044 -0.00041129 0.00016233
0.00912818 -0.00143972 -0.00582766
1.61750682 13.27453962 -7.61426220
-0.00003938 0.00016100 0.00015333
0.00176770 -0.01083001 0.00434944
-11.05316782 10.05767851 -12.51547066
-0.00050053 -0.00001107 0.00013404
-0.00362806 0.02281969 0.00301926
7.84800622 3.98767894 14.61774283
-0.00015773 -0.00031043 0.00006496
0.02197604 0.02325484 -0.02106898
-15.44282399 9.78252132 -7.93140797
0.00030592 0.00037640 0.00056251
-0.01759131 -0.00193775 0.00250502
8.68574607 7.78268229 -3.04909662
-0.00040941 -0.00017415 -0.00008386
-0.03621617 -0.05577035 -0.04270757
14.16885114 -20.72015003 -26.71923314
0.00000269 -0.00002647 0.00011571
0.00932232 0.03513475 -0.02814422
5.08041953 6.89495726 1.68666322
0.00017108 -0.00025404 0.00035325
-0.00100778 -0.01351165 -0.02081926
18.28135817 -5.85288789 -7.54089304
-0.00006610 -0.00005918 0.00011531
-0.00842096 0.00119791 -0.00109382
-1.94056318 -2.08898793 -2.07617707
-0.00010293 -0.00020272 0.00006366
0.02273790 -0.04369431 0.03198209
2.78249344 -2.09489846 -12.03254879
0.00013371 -0.00016281 -0.00002225
-0.00807748 0.02473216 0.00485063
19.67371160 9.25591164 -6.14536945
0.00008797 -0.00017822 0.00024547
0.00749030 -0.00779582 0.00457585
-7.61578553 5.76780939 8.82041212
-0.00026749 -0.00014806 -0.00042478
0.01494466 -0.03889138 -0.01022073
-1.78420831 -16.08717063 11.38818561
0.00019031 -0.00008220 -0.00008084
0.00361522 -0.01004005 0.01478607
7.59140498 -0.44771285 -4.65723919
0.00014642 0.00004351 -0.00018869
-0.00553258 0.01630178 0.01424482
-1.01220044 -12.16254290 0.66308593
-0.00013681 -0.00023620 0.00008170
-0.00093556 -0.00611687 -0.00133758
-19.97200011 -0.62181737 5.29584957
0.00000093 0.00035193 0.00013233
0.00398770 -0.00898734 -0.00343032
-6.43142896 7.91759991 -25.13921466
-0.00021373 0.00027942 -0.00032368
0.00474458 -0.00871773 0.04742340
2.47877523 1.95001162 -1.83575256
-0.00055244 0.00008259 -0.00008379
0.02246998 0.01214474 -0.00803727
14.71349443 8.23434564 4.13583100
-0.00023621 -0.00001507 0.00004312
0.00391685 0.00862105 -0.01039817
-8.21568397 -6.90264570 10.29742274
0.00038923 0.00008139 -0.00001044
-0.01921953 0.03501364 -0.00827030
-10.16228246 -5.96057293 8.31347718
-0.00058518 0.00121121 0.00024781
-0.00865092 -0.00377935 -0.00805865
-13.09754688 6.05715282 7.60149222
0.00004909 -0.00041786 -0.00066775
-0.00319968 -0.00566756 -0.00830264
-13.85329321 3.26882710 8.35267454
0.00046433 -0.00039806 0.00092678
0.00797578 0.01972299 0.01013930
-14.76824613 1.61034022 4.53271610
0.00078478 -0.00036122 -0.00065348
-0.01533738 0.00117518 -0.02379877
-17.46135233 0.74339064 3.57405467
0.00051378 0.00039652 0.00015219
0.02960824 0.01330754 -0.00787888
2.71053692 -21.33273683 12.73248482
-0.00071422 -0.00138028 0.00035176
0.00976039 -0.02774469 -0.01107145
3.15447249 -19.52370162 14.97224477
0.00115921 -0.00071862 0.00129490
0.00437561 -0.00111202 0.00260540
9.19684517 19.04356305 0.34633695
-0.00012968 -0.00049553 -0.00155173
0.00147245 0.00958423 0.00868486
8.56539715 21.83683833 1.46531167
0.00146661 0.00008971 -0.00007673
-0.00343650 -0.01240765 -0.00676904
-10.51731032 12.17370965 16.94662462
-0.00001624 -0.00077476 -0.00046832
-0.00616539 0.02092035 -0.02473721
-11.53448407 14.59410876 15.34837347
0.00084619 -0.00076666 0.00064352
0.00369696 -0.01802335 0.00124034
-5.98542993 -0.06412184 -14.31707127
-0.00011111 0.00061183 -0.00030761
0.00426716 0.00877246 -0.00352068
-6.62275139 0.14432942 -11.59249063
-0.00107194 0.00085538 -0.00018243
-0.01955091 -0.01085928 0.03688734
-8.15693613 8.29960573 -6.49523528
0.00073669 0.00015545 -0.00069162
-0.00185571 -0.01029582 -0.00499396
-9.85968965 6.40820518 -5.29707369
-0.00011325 0.00080566 0.00076852
-0.00536748 0.00461217 0.00287630
-7.59559681 -1.96968080 18.05118549
-0.00020140 -0.00091511 -0.00030291
-0.00169222 0.04345092 -0.00222584
-7.25936701 -4.18794216 19.73778661
0.00054436 -0.00000933 0.00015534
0.00160448 -0.01297836 0.03616669
-24.83880945 -6.43404890 -23.33411054
-0.00006890 0.00025147 -0.00045662
0.02074928 0.00281136 -0.00441820
-21.81252737 -6.68457273 -23.55553977
0.00076105 -0.00104248 -0.00077232
-0.00373099 0.01540046 0.00023796
8.62955261 13.11447834 4.73231260
0.00010726 -0.00003821 -0.00087967
0.00364911 -0.00610850 0.02167647
9.35723435 11.67813957 7.52631060
0.00051268 0.00076868 -0.00097526
-0.00894849 0.02015992 -0.02034589
23.98174906 27.35015250 -2.50897484
0.00130143 -0.00025347 -0.00004767
-0.01485202 0.01012741 -0.00278774
23.01760520 30.06210919 -1.74086069
-0.00069760 -0.00065044 0.00089980
-0.00474062 0.00420957 0.01502861
10.98319894 -0.89078559 -14.45859894
-0.00069289 0.00058220 0.00024560
-0.00681414 0.01630186 0.00194469
8.26325932 -1.49378548 -14.66556320
0.00026698 0.00017383 -0.00030996
0.00082092 0.00461497 0.00723914
-9.74892723 -1.05719350 14.25606195
-0.00015688 -0.00129199 0.00019164
-0.00384624 -0.00599135 0.00689111
-9.40175091 -2.67285833 11.70808199
0.00000590 -0.00010083 0.00130350
-0.00268369 0.00081356 0.01181528
-3.11581919 -26.42138750 11.97875357
-0.00036898 -0.00002834 -0.00089082
-0.00171736 -0.00387448 0.01497405
-3.36464721 -25.76735372 9.15958924
-0.00035117 0.00017643 0.00034051
0.01194807 0.00103591 0.00230238
-14.73720790 -2.54606698 -6.33529588
-0.00028362 0.00065649 -0.00019494
-0.00255491 0.00101127 -0.00715778
-16.12992684 -3.65162472 -8.77334401
0.00029734 -0.00058779 -0.00046953
0.00419208 0.00018580 0.01480680
-18.96391595 -9.44044514 -19.09983742
0.00044654 0.00038011 -0.00125878
-0.00472540 -0.00045905 0.01025507
-18.20482477 -12.18749435 -18.96029984
0.00006288 0.00081985 -0.00054406
0.00024491 -0.01000286 0.00234741
22.65658556 5.80280888 3.62016582
-0.00020259 0.00067098 0.00065855
-0.01604638 0.01665200 0.01267129
20.21134779 6.65702228 5.53380679
-0.00011068 0.00100363 0.00023692
0.02139051 -0.00109737 -0.01851378
18.28298891 -10.84435163 -11.88575210
0.00004272 0.00010962 0.00127823
0.01837056 -0.02191604 -0.02073973
18.52934455 -10.66085228 -14.72799529
0.00104793 -0.00003477 -0.00014762
0.01262262 -0.01067920 0.00830056
-1.84986253 0.91058446 -7.03941294
0.00053507 -0.00155212 0.00105440
-0.01139192 0.00460386 0.00181878
-4.74769674 0.42371545 -6.16100051
-0.00012188 0.00049714 -0.00016738
0.00099279 0.01149947 0.00064762
-2.96738651 -4.45205976 -18.48543464
-0.00043773 -0.00024897 -0.00085821
0.01052323 -0.01988868 -0.01272197
-3.64364402 -1.59959904 -18.60187207
-0.00013692 0.00032642 0.00027403
-0.00306123 -0.01532552 0.01323288
13.81694764 17.69060890 -20.00069357
0.00002880 0.00039814 -0.00117801
0.00305973 -0.01217780 -0.01147065
12.56962857 15.80875086 -21.92887650
-0.00058003 0.00053338 0.00089013
0.01469345 0.00623051 0.01300239
-13.87381042 17.16800964 -11.70284460
-0.00072627 0.00002997 -0.00080772
0.00378994 -0.00206554 0.00010543
-14.67031241 16.02171391 -14.24351377
0.00014037 -0.00004263 -0.00098151
0.00353106 -0.03481665 -0.01504938
1.98199293 15.71128022 6.34095191
0.00051931 0.00001969 0.00012044
-0.01310072 0.01238917 -0.00457980
-0.03005861 15.85106322 8.89189381
0.00046409 -0.00019120 -0.00082060
0.02908174 -0.00215935 -0.03363838
-4.97654943 -8.14581057 2.61108180
0.00184163 0.00029573 -0.00028391
-0.01883321 0.01637483 -0.01098688
-3.25504490 -10.24798735 3.10426144
-0.00001644 -0.00023080 -0.00007037
0.03343437 -0.02856063 -0.02275528
1.28071526 -3.85790183 3.19068243
0.00023993 -0.00141165 -0.00007799
-0.00409776 0.02609017 0.00740937
3.12792962 -4.50723555 1.11650382
0.00046334 -0.00014208 -0.00000074
0.05029580 0.03675460 -0.05850147
8.13341227 7.85099725 3.54142664
-0.00074880 -0.00003491 -0.00016461
0.03683922 -0.02093351 0.01647646
11.24840505 7.92100290 3.77489176
0.00029809 -0.00003104 -0.00077708
-0.01216161 -0.00469072 0.00905696
-7.76573318 -11.23744436 -2.39278279
-0.00086314 0.00033189 -0.00004548
0.00444499 -0.01801124 0.01120774
-10.39096888 -9.94805215 -1.28306147
-0.00048808 0.00003360 0.00053700
0.00987827 -0.00143562 0.00360428
5.22867991 -15.82965756 -12.59951354
-0.00006415 -0.00098284 -0.00106035
0.00531650 0.00341238 -0.02078999
2.74730757 -16.66337693 -11.63684860
-0.00022896 0.00098228 -0.00004281
0.00487006 0.02896232 -0.04478564
4.86927685 -4.89846275 -4.51458410
-0.00098162 0.00039891 0.00049854
-0.01407576 0.00569415 -0.01055295
5.17785512 -6.65189377 -2.51659032
0.00093123 -0.00037919 0.00071113
-0.00964408 -0.00594340 0.01184719
16.71067826 2.62389834 24.24037483
0.00000617 0.00011824 0.00088169
0.00422641 -0.00077386 0.00554207
19.43148473 3.06954218 25.57273603
-0.00001663 0.00045402 -0.00016622
-0.01017600 0.00265837 -0.00942705
-9.66695940 0.92028048 1.51154683
0.00004360 -0.00045550 -0.00011971
0.00870118 -0.00236997 -0.00999200
-10.00583955 3.35934052 2.70085129
-0.00004339 -0.00049074 0.00021434
0.00235928 0.01903786 0.00191623
-5.00925903 13.56875237 -8.57728836
-0.00012071 0.00001788 0.00015925
-0.00062149 0.00700232 -0.00575696
-7.56386302 12.35014294 -8.89073835
0.00042333 -0.00017112 -0.00048643
-0.01991470 -0.00640651 0.00243586
1.32548775 11.88269313 -6.48914310
0.00081190 -0.00020521 -0.00020897
-0.01278304 -0.02279457 -0.01010620
1.87154983 14.37927038 -6.22065254
0.00042029 -0.00020670 -0.00018053
0.01362224 0.03327019 0.00775411
-10.69231297 8.37711305 -13.03185526
-0.00005818 -0.00085314 -0.00079207
0.00479691 -0.01805453 -0.00002236
-11.86088022 9.99948765 -10.87898184
0.00059936 0.00043851 0.00016516
-0.00049010 -0.00284615 -0.00090617
7.73669718 5.30989510 13.28836109
-0.00037506 -0.00022156 0.00099592
-0.01997501 -0.01391095 0.01264352
9.67508168 3.93676907 14.44407633
0.00008951 -0.00027376 0.00004386
0.00069201 -0.01263528 0.00972293
-14.20701777 10.85308636 -7.12922519
-0.00024304 0.00161613 -0.00022856
0.01373664 0.01204414 -0.00372404
-16.96580876 10.83074625 -7.93903110
0.00025267 -0.00027841 0.00004401
0.00702315 -0.00619921 -0.00239516
9.22890725 9.23801330 -2.25088436
0.00025892 0.00008002 -0.00048022
0.00689871 0.04197597 0.00504737
7.70365575 7.99075548 -4.70146726
-0.00014154 -0.00003048 0.00037815
0.02314495 0.00964753 0.03744380
14.48301806 -18.98049441 -27.43308894
0.00002506 -0.00012222 0.00005539
-0.00410740 -0.02705784 0.00545281
13.41493166 -20.30401887 -25.14832355
0.00005152 0.00026275 0.00052175
-0.00608232 0.00188462 0.02348288
4.92554574 5.05663145 2.20308291
-0.00030394 -0.00067530 -0.00037263
0.01486113 0.02936412 -0.01775920
5.61235478 7.06220705 -0.15311730
-0.00065771 -0.00013140 0.00010244
-0.00618826 -0.01326173 0.03749230
19.91170636 -6.16513075 -6.86943091
0.00003399 0.00190246 -0.00062859
0.01569387 -0.00384142 0.00964765
17.27311706 -5.06390069 -6.21775669
-0.00122064 0.00051224 0.00014297
-0.00566492 0.00506134 0.00436379
-2.58650956 -0.83738217 -1.00922609
-0.00003415 0.00034154 0.00023022
-0.01235723 0.02664857 0.01351822
-2.09161479 -1.58134156 -3.76520932
-0.00017544 -0.00074268 -0.00038121
-0.01029359 0.01743906 -0.03401101
3.95681494 -3.41666560 -12.31013035
-0.00068116 0.00037308 -0.00046930
0.01271753 -0.02147822 -0.00324003
1.09476824 -2.78975526 -11.80425790
0.00000289 -0.00039182 -0.00003628
-0.00234979 -0.00469048 0.00142062
19.76983311 8.52058068 -7.82483145
0.00040551 0.00030296 -0.00071847
-0.00081365 -0.00225473 -0.00016170
20.90836406 8.24577231 -5.18447724
0.00096719 -0.00112839 0.00036510
-0.00203517 0.00150634 -0.00418427
-7.01313753 3.82609533 8.92182747
-0.00017115 -0.00029645 -0.00042841
-0.01670854 0.04682342 0.00282640
-7.18332924 6.57536593 10.37994139
0.00114875 -0.00052882 -0.00044218
0.00104692 -0.00190966 0.00630645
-2.13497847 -17.87296029 11.61386073
0.00056803 0.00001745 -0.00017797
0.00230890 0.00766713 -0.00311506
-2.78979120 -15.53344904 10.00113928
-0.00001568 -0.00085260 -0.00015151
-0.00817303 0.00512082 -0.00884679
8.41981631 -0.58801585 -3.03547136
-0.00046777 0.00083269 -0.00153335
0.00685636 0.00404797 0.00789013
7.53939179 1.27492803 -5.26095563
0.00023819 0.00077250 0.00011919
0.00670826 0.00561789 -0.00337069
0.34420625 -11.85340737 1.85484062
0.00002296 -0.00012758 0.00023079
0.00540728 -0.00349516 0.00955852
-0.93885135 -10.59552829 -0.29750182
-0.00048225 -0.00000044 0.00034922
-0.00935572 0.00917152 -0.00720587
-19.54458065 -1.46385829 6.89205579
0.00055157 0.00112095 -0.00060128
0.00606373 0.00055363 0.00335572
-21.27448417 0.44732327 5.92387525
-0.00076322 0.00047286 0.00052631
-0.01194827 0.01537940 -0.00363000
-5.04732726 8.11917980 -26.21675474
-0.00072400 -0.00011209 -0.00051927
0.02648213 0.01377026 -0.05527096
-5.27195792 7.53854697 -23.77408580
0.00097245 0.00041721 -0.00003948
-0.01645858 -0.00408360 0.02260790
4.17174718 1.68582772 -2.45681284
0.00034364 0.00003734 0.00029112
0.00562656 0.00842036 -0.00201492
2.13853905 0.25398179 -1.42469967
0.00045212 0.00013251 -0.00022305
-0.02477313 -0.02489685 0.00856823
14.91149410 7.50355712 5.80371746
0.00030485 0.00096404 -0.00002883
-0.00056911 -0.00242895 0.00867040
15.61793158 9.84042544 4.12153407
-0.00112638 -0.00106378 0.00015161
-0.00645044 -0.00570809 0.00171229
1.53467530 -11.76643787 -13.89800911
0.00015247 0.00005220 -0.00014936
0.00604741 0.00640063 0.00209449
-13.56557006 14.63458835 22.75588382
-0.00001694 0.00013519 0.00015126
-0.00376717 -0.00123270 -0.00301518
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02522771
0.33356667
444.46086366
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1311195241
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3813153889 (a.u.)
total exchange computation time: 2.6319861412 s
-154.1632731010
-931.35911059
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1311195241
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3805957002 (a.u.)
total exchange computation time: 2.6289479733 s
-154.1702452448
Anderson extrapolation: theta=1.3537553880 (1.3537553880)
-931.35934045
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1311195241
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3794948547 (a.u.)
total exchange computation time: 2.6344940662 s
-154.1804934242
Anderson extrapolation: theta=0.0533612259 (0.0533612259)
-931.35947730
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1311195241
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3793383380 (a.u.)
total exchange computation time: 2.6296911240 s
-154.1817126705
Anderson extrapolation: theta=1.9214455832 (1.9214455832)
-931.35948226
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1311195241
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3790101729 (a.u.)
total exchange computation time: 2.6288480759 s
-154.1841933215
Anderson extrapolation: theta=0.2198714809 (0.2198714809)
-931.35948718
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1311195241
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3789310383 (a.u.)
total exchange computation time: 2.6339581013 s
-154.1847309154
Anderson extrapolation: theta=1.8273055373 (1.8273055373)
-931.35948803
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1311195241
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3788097229 (a.u.)
total exchange computation time: 2.6303260326 s
-154.1854948944
Anderson extrapolation: theta=0.2855159029 (0.2855159029)
-931.35948889
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1311195241
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3787991933 (a.u.)
total exchange computation time: 2.6319539547 s
-154.1855009367
Anderson extrapolation: theta=1.3296049481 (1.3296049481)
-931.35948905
-22.557049 -171.747908 -243.927955
-137.439760 457.784621 -804.910844
-159.996809 286.036713 -1048.838800
1098.853406
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1311195241
ExchangeOperator: bisection time: 1.150 s
total exchange = -52.3788038368 (a.u.)
total exchange computation time: 2.6330990791 s
679.08384050
-1084.37428477
89.69389731
-388.57346688
-174.81067141
78.63998659
551.60419304
0.00000000
-931.35948909
-9.22309678 -5.34221579 9.72850609
0.00011267 0.00000274 0.00019110
0.03201440 -0.03515221 0.01853942
-13.80520394 5.03964746 8.95626346
0.00012673 -0.00008194 -0.00013527
-0.00404437 -0.01302253 0.00556375
-15.81459716 1.56961765 2.94459667
-0.00021453 -0.00014903 0.00009119
-0.01252537 -0.01086994 0.03561668
2.42531779 -19.68076221 13.32773959
-0.00028737 0.00019529 0.00003663
-0.01035361 0.01855365 0.01206431
9.78091956 20.81131847 0.46466620
0.00032735 0.00010453 -0.00014748
-0.00070443 -0.00747376 -0.00996222
-11.17870336 12.78027245 15.18997650
-0.00021186 0.00020038 0.00008786
0.00469731 -0.00754144 0.01652058
-6.01639936 1.13381307 -12.93383616
0.00008185 -0.00028312 0.00017681
0.02046061 0.00765134 -0.03787030
-8.92375809 6.67423237 -6.84091980
0.00021118 0.00026172 -0.00002341
-0.00599512 0.00047620 -0.00346704
-7.47201339 -3.71569885 18.04644151
0.00032414 -0.00000863 -0.00007590
0.00171503 -0.04747889 -0.03301419
-23.40218877 -7.56716740 -23.52436666
-0.00033831 -0.00007763 -0.00033725
-0.01465107 -0.01421077 -0.00546385
8.42290375 13.08917620 6.59910879
0.00044205 0.00032482 0.00039387
0.00505911 -0.00513579 -0.01237946
23.16061782 28.89867584 -3.11750755
-0.00036790 -0.00042222 0.00029653
0.01225477 -0.01068226 -0.00881178
9.37670059 -0.00023567 -14.62065118
0.00042895 0.00025611 -0.00006421
-0.00432936 -0.01553022 -0.01232688
-9.07545022 -1.07951800 12.58155856
-0.00015536 -0.00014968 -0.00052191
0.00474903 0.00549540 -0.00651956
-2.12969024 -25.92412466 10.52326143
-0.00007656 0.00001221 0.00017475
-0.00265075 0.00184394 -0.03070106
-15.23228477 -4.11192078 -7.23736003
-0.00018535 0.00006289 -0.00019881
-0.00416956 -0.01905522 -0.02002136
-19.42033714 -11.01559842 -18.24090916
-0.00011418 -0.00024246 0.00017948
0.00946929 0.01824276 -0.01759660
21.19704975 5.36603847 4.66127449
-0.00040582 0.00018830 0.00003487
-0.00535665 -0.01102926 0.01070598
19.36220716 -11.60739935 -13.33343572
0.00073050 0.00017691 0.00009543
-0.04068100 0.03203540 0.01179088
-3.14522006 -0.30227334 -6.57876556
-0.00032596 -0.00011004 0.00013399
0.01300966 -0.01405218 -0.00745734
-3.78990468 -3.18145585 -17.56828903
0.00030988 0.00007662 -0.00009521
-0.00960541 0.04052820 0.00186050
14.23404251 16.41509870 -21.27989148
0.00016605 -0.00002399 -0.00010721
-0.01080047 0.00486894 -0.00216142
-14.60871155 17.56191988 -13.31886781
0.00024663 0.00052718 -0.00000119
-0.01627623 0.02807005 0.00356405
1.46619882 15.09739973 7.95244875
-0.00037936 0.00003978 -0.00040198
-0.01345920 -0.01611714 0.03761882
-4.42276288 -9.22408306 3.92369506
0.00019032 0.00013411 -0.00008490
-0.01558025 0.00629343 0.03175401
2.12054388 -5.15094122 2.31083543
-0.00013608 0.00024660 0.00003193
-0.03111173 -0.07114869 0.04501382
9.67912828 7.14544161 4.45625721
-0.00003789 0.00013786 -0.00016078
-0.01849795 0.02224304 -0.02743192
-9.25070868 -10.25496034 -2.68431025
0.00003268 -0.00037079 0.00030942
-0.03094936 0.02696997 -0.00565051
3.46446817 -15.59464711 -13.13535955
-0.00020639 -0.00007618 -0.00003730
-0.01229640 -0.03255481 0.06030928
3.77149722 -5.70263989 -3.24532307
0.00007871 0.00007320 0.00032662
0.02676946 -0.00899029 0.00521069
18.40126105 1.93373118 24.50880042
-0.00006969 -0.00012650 -0.00021006
0.00697454 -0.01215902 0.00211580
-8.86291156 2.57816555 1.52111860
-0.00023811 -0.00031479 0.00002907
-0.01447258 -0.01564000 0.00296732
-6.03733787 12.64346061 -9.81132973
0.00043563 -0.00041198 0.00015889
0.01103826 -0.00124148 -0.00752265
1.61692291 13.27691287 -7.61194554
-0.00003850 0.00015502 0.00015486
0.00166122 -0.01244231 0.00160226
-11.06068980 10.05760042 -12.51344836
-0.00050130 -0.00000152 0.00013387
0.00066054 0.01434504 -0.00369069
7.84572506 3.98311223 14.61863593
-0.00014589 -0.00029924 0.00005489
0.02404967 0.02026427 -0.01808188
-15.43830305 9.78815977 -7.92296061
0.00029737 0.00037520 0.00056391
-0.01565614 -0.00269411 0.00291279
8.67946518 7.77985484 -3.05051918
-0.00042740 -0.00020207 -0.00010463
-0.03371425 -0.05279997 -0.03809491
14.16892745 -20.72041151 -26.71760604
0.00000701 -0.00000839 0.00010217
0.00748875 0.03516763 -0.02450137
5.08298192 6.89109455 1.69188166
0.00017046 -0.00026128 0.00034248
-0.00144105 -0.01465605 -0.02106522
18.28033422 -5.85377099 -7.53916765
-0.00007246 -0.00005782 0.00011531
-0.01631958 0.00411072 0.00109569
-1.94201945 -2.09219734 -2.07509878
-0.00009172 -0.00022415 0.00008013
0.02084325 -0.03963962 0.03204117
2.78446794 -2.09724514 -12.03286387
0.00012794 -0.00014903 -0.00001931
-0.01437148 0.02883736 0.00658807
19.67506006 9.25320822 -6.14166967
0.00009310 -0.00018369 0.00024751
0.01244915 -0.01347481 0.00334995
-7.61974017 5.76543842 8.81400095
-0.00025965 -0.00016796 -0.00042959
0.01551666 -0.03847626 -0.00847691
-1.78133977 -16.08844236 11.38702998
0.00019216 -0.00008706 -0.00007337
0.00360435 -0.00883916 0.01427093
7.59357997 -0.44699738 -4.66001467
0.00014228 0.00005346 -0.00018422
-0.01058990 0.02241658 0.00314986
-1.01425624 -12.16610956 0.66430628
-0.00013693 -0.00023918 0.00008128
0.00047594 -0.00543868 -0.00028305
-19.97197074 -0.61657308 5.29782129
0.00000143 0.00034902 0.00012998
-0.00204890 -0.00231867 -0.00570621
-6.43461667 7.92175763 -25.14388699
-0.00021055 0.00027446 -0.00029759
0.00762262 -0.01056941 0.05404051
2.47057534 1.95129727 -1.83704047
-0.00053935 0.00008900 -0.00008853
0.02842987 0.01277599 -0.01037227
14.70996643 8.23415279 4.13643763
-0.00023536 -0.00001247 0.00003742
-0.00062902 0.00151078 -0.01177171
-8.21043445 -6.90035185 10.29701266
0.00030931 0.00022364 -0.00004599
-0.01990326 0.03461723 -0.00913080
-10.17132527 -5.94252059 8.31694735
-0.00061995 0.00119386 0.00021482
-0.00836819 -0.00471475 -0.00808659
-13.09690853 6.05071127 7.59122160
0.00003509 -0.00044249 -0.00069982
-0.00365727 -0.00638998 -0.00739674
-13.84608391 3.26346059 8.36688686
0.00049683 -0.00031838 0.00096674
0.00793454 0.01927888 0.00942469
-14.75694441 1.60495792 4.52218470
0.00072153 -0.00035602 -0.00074870
-0.01562474 0.00137063 -0.02281416
-17.45273841 0.74974616 3.57609610
0.00062788 0.00044728 0.00012260
0.02624767 0.01154204 -0.00660577
2.70012276 -21.35429116 12.73742199
-0.00067849 -0.00147149 0.00031340
0.00772802 -0.01690543 -0.00770886
3.17199478 -19.53451495 14.99174815
0.00116568 -0.00072456 0.00128128
-0.00121155 -0.00179533 -0.00927524
9.19494506 19.03642375 0.32332711
-0.00012128 -0.00044574 -0.00151397
0.00263899 0.01478874 0.00979881
8.58729099 21.83780377 1.46395335
0.00144586 0.00004165 -0.00010058
-0.00671952 -0.01111930 -0.00490805
-10.51774278 12.16272927 16.93884172
-0.00004140 -0.00068881 -0.00056820
-0.00615148 0.02115589 -0.02415299
-11.52167799 14.58205655 15.35806424
0.00085798 -0.00082417 0.00064975
0.00207607 -0.01012859 0.00181127
-5.98696581 -0.05467564 -14.32179337
-0.00009411 0.00064424 -0.00032253
0.00405174 0.00709362 -0.00377889
-6.63942958 0.15682728 -11.59409667
-0.00115478 0.00080516 -0.00002749
-0.02100200 -0.01372252 0.03895667
-8.14594262 8.30162201 -6.50576263
0.00072890 0.00011350 -0.00071145
-0.00195986 -0.01023906 -0.00471109
-9.86155294 6.42043145 -5.28545772
-0.00012859 0.00082658 0.00077013
-0.00213731 0.00562663 -0.00208940
-7.59866963 -1.98207605 18.04657357
-0.00020964 -0.00072095 -0.00031192
-0.00234404 0.05159402 -0.00218262
-7.25115250 -4.18847978 19.74122491
0.00055015 -0.00006081 0.00029734
0.00123366 -0.01222209 0.03334666
-24.83920709 -6.43019067 -23.34109528
0.00001637 0.00026424 -0.00047478
0.02099197 0.00343662 -0.00447036
-21.80122601 -6.69973807 -23.56711734
0.00073783 -0.00098219 -0.00077131
-0.00763450 0.01411240 0.00025971
8.63127337 13.11371802 4.71978184
0.00012017 -0.00006204 -0.00077642
0.00266768 -0.00555867 0.02886328
9.36465040 11.69028756 7.51105821
0.00047998 0.00084375 -0.00105143
-0.00706155 0.01658669 -0.01693692
24.00081539 27.34666075 -2.50977534
0.00123682 -0.00020715 -0.00006120
-0.01677650 0.01254651 -0.00383304
23.00699592 30.05248161 -1.72690312
-0.00071672 -0.00063650 0.00095657
-0.00461810 0.00261286 0.01275891
10.97259677 -0.88155307 -14.45485531
-0.00070504 0.00064103 0.00025532
0.00086767 0.01249702 0.00281442
8.26728922 -1.49103667 -14.66999074
0.00027108 0.00019470 -0.00027998
0.00118357 0.00560266 0.00743507
-9.75139832 -1.07675689 14.25914778
-0.00016743 -0.00131380 0.00021001
-0.00131445 -0.00468660 0.00209722
-9.40174471 -2.67434579 11.72799652
-0.00000602 -0.00010839 0.00134227
-0.00314876 -0.00451479 0.00716469
-3.12140651 -26.42193131 11.96585020
-0.00038010 -0.00004679 -0.00082092
-0.00372563 -0.00515846 0.01923902
-3.36954870 -25.76467547 9.16476742
-0.00030085 0.00018100 0.00034929
0.01268722 0.00120026 0.00199772
-14.74154054 -2.53618859 -6.33843924
-0.00029567 0.00065520 -0.00022729
-0.00334052 -0.00164600 -0.00867778
-16.12533833 -3.66043593 -8.77993316
0.00031302 -0.00058595 -0.00041143
0.00348334 0.00071539 0.01363233
-18.95736271 -9.43475751 -19.11840486
0.00042086 0.00036438 -0.00120706
-0.00784380 -0.00724300 0.01506078
-18.20387405 -12.17550319 -18.96838889
0.00006603 0.00077402 -0.00053449
0.00129719 -0.01242886 0.00234146
22.65305504 5.81338387 3.63043230
-0.00026625 0.00073812 0.00070898
-0.01511544 0.01621194 0.01201843
20.21034305 6.67204311 5.53679320
-0.00002063 0.00099344 0.00015896
0.02268958 -0.00389094 -0.01964811
18.28419263 -10.84337890 -11.86721425
0.00012219 0.00001752 0.00118422
0.02052889 -0.02316514 -0.02527656
18.54545030 -10.66170110 -14.72995527
0.00109808 -0.00007694 -0.00011275
0.01192786 -0.00996347 0.00876968
-1.84218560 0.88744378 -7.02354116
0.00049427 -0.00152611 0.00105925
-0.00857854 0.00812704 0.00055569
-4.74949452 0.43152500 -6.16349132
-0.00011701 0.00054447 -0.00016443
0.00138895 0.01166777 0.00079469
-2.97363002 -4.45640371 -18.49869757
-0.00039786 -0.00032491 -0.00090745
0.00899607 -0.01728447 -0.01138111
-3.64579169 -1.59517238 -18.59735614
-0.00014864 0.00026366 0.00032690
-0.00267290 -0.01539739 0.01264643
13.81747345 17.69620780 -20.01871522
0.00004179 0.00035348 -0.00121911
0.00329601 -0.00968083 -0.00864957
12.56137838 15.81694253 -21.91512609
-0.00051765 0.00055741 0.00094155
0.01583995 0.00553029 0.01216904
-13.88458835 17.16839589 -11.71495710
-0.00070395 0.00001797 -0.00079233
0.00713558 -0.00380691 0.00742462
-14.66809865 16.02000754 -14.25869764
0.00015573 -0.00016976 -0.00103345
0.00398637 -0.02741333 -0.01037496
1.98938112 15.71195523 6.34261819
0.00046661 0.00007185 0.00009881
-0.01269369 0.01314225 -0.00600924
-0.02220612 15.84812901 8.87855399
0.00057437 -0.00019568 -0.00095306
0.02490020 -0.00003002 -0.03120186
-4.94950213 -8.14087286 2.60648642
0.00176334 0.00036535 -0.00033099
-0.01949027 0.01770463 -0.01205582
-3.25426702 -10.25232456 3.10250863
0.00011790 -0.00034686 -0.00016083
0.03232943 -0.02824968 -0.02152619
1.28418867 -3.87827705 3.18973969
0.00021099 -0.00128531 -0.00003554
-0.01006884 0.03575436 0.01336611
3.13642092 -4.50824042 1.11469998
0.00066240 0.00000487 -0.00023172
0.04714478 0.03517617 -0.05456325
8.12330913 7.84983214 3.53946233
-0.00059442 -0.00012190 -0.00009588
0.03873146 -0.02165080 0.01716882
11.25250376 7.92039359 3.76351316
0.00024382 -0.00005208 -0.00073798
-0.01440664 -0.00561129 0.01007989
-7.77854402 -11.23301789 -2.39312159
-0.00082899 0.00024811 0.00000439
0.01226767 -0.02300287 0.01320502
-10.39798741 -9.94759215 -1.27489604
-0.00044183 0.00002632 0.00054524
0.01276189 -0.00212546 0.00042969
5.22788065 -15.84429563 -12.61605587
-0.00004171 -0.00096907 -0.00114458
0.00566803 0.00332886 -0.02044002
2.74402246 -16.64775523 -11.63886306
-0.00021064 0.00109699 -0.00022180
0.00409688 0.02718709 -0.04283523
4.85412122 -4.89230466 -4.50742932
-0.00103354 0.00042439 0.00045112
-0.01133868 0.00677917 -0.01266164
5.19152799 -6.65776381 -2.50556036
0.00088168 -0.00039493 0.00075217
-0.01461063 -0.00175846 0.00824052
16.71090025 2.62564817 24.25376999
0.00002119 0.00011489 0.00090267
0.00312865 -0.00086415 0.00472669
19.43092349 3.07643387 25.56995380
-0.00005978 0.00046107 -0.00020736
-0.01094850 0.00079636 -0.01070884
-9.66603871 0.91337532 1.50944503
0.00007907 -0.00046470 -0.00016030
0.00865763 -0.00213326 -0.00987703
-10.00641812 3.35256278 2.70412512
-0.00003457 -0.00041299 0.00022269
0.00195790 0.01902366 0.00217162
-5.01108878 13.56923509 -8.57507597
-0.00012133 0.00004744 0.00013714
0.00032035 0.00746868 -0.00506916
-7.55812334 12.34737989 -8.89796017
0.00033751 -0.00019870 -0.00047420
-0.02209377 -0.00709603 0.00355226
1.33727461 11.87891651 -6.49258732
0.00075932 -0.00029830 -0.00024952
-0.01295668 -0.02277349 -0.00974318
1.87827155 14.37718939 -6.22312283
0.00047618 -0.00006752 -0.00014415
0.01373668 0.03486052 0.01005205
-10.69303868 8.36376276 -13.04373693
-0.00004312 -0.00090808 -0.00078441
0.00257296 -0.00884323 0.00377165
-11.85190483 10.00597812 -10.87653216
0.00059412 0.00042492 0.00016759
-0.00207365 -0.00380860 0.00209215
7.73045925 5.30614549 13.30368729
-0.00045705 -0.00027254 0.00104180
-0.02016380 -0.01104417 0.00981810
9.67644554 3.93227549 14.44503225
0.00008865 -0.00032497 0.00008347
-0.00111267 -0.01243142 0.00966262
-14.21024248 10.87769740 -7.13276767
-0.00018670 0.00166397 -0.00024400
0.01384295 0.01137469 -0.00383382
-16.96180344 10.82638008 -7.93844436
0.00027691 -0.00030146 0.00003387
0.00484100 -0.00508185 -0.00256748
9.23300243 9.24049994 -2.25793301
0.00028555 0.00024507 -0.00046285
0.00613652 0.03881548 0.00345421
7.70224187 7.99059387 -4.69464766
-0.00005002 0.00000961 0.00052498
0.02165550 0.00997712 0.03443384
14.48326806 -18.98315684 -27.43209095
0.00000828 -0.00023119 0.00007725
-0.00410345 -0.02628313 0.00524791
13.41551805 -20.30001979 -25.13977765
0.00003029 0.00026871 0.00061069
-0.00431086 0.00102814 0.02005030
4.92144209 5.04740169 2.19694932
-0.00024297 -0.00055329 -0.00044430
0.01498226 0.03036128 -0.01732618
5.60229952 7.05982974 -0.15043186
-0.00068218 -0.00018500 0.00025513
-0.00579167 -0.01297933 0.03724960
19.91269717 -6.13671159 -6.87856407
0.00010516 0.00188602 -0.00058515
0.01914020 -0.00420584 0.01161624
17.25463393 -5.05606204 -6.21547846
-0.00123553 0.00052727 0.00015251
-0.00162538 0.00229677 0.00030881
-2.58740052 -0.83144241 -1.00535852
-0.00008095 0.00044366 0.00027853
-0.01054914 0.02334022 0.01012844
-2.09456185 -1.59194738 -3.77196970
-0.00021776 -0.00067276 -0.00051328
-0.01041895 0.01678748 -0.03063938
3.94698727 -3.41172754 -12.31726910
-0.00061933 0.00027513 -0.00048467
0.01754976 -0.02646978 -0.00428599
1.09473954 -2.79577623 -11.80475850
-0.00000408 -0.00040895 -0.00003105
-0.00106275 -0.00369807 0.00113592
19.77589080 8.52505594 -7.83561339
0.00040187 0.00029735 -0.00070892
-0.00096753 -0.00049169 0.00483394
20.92280947 8.22889267 -5.17912893
0.00094897 -0.00111453 0.00034036
-0.00688132 0.00527893 -0.00792639
-7.01621674 3.82308333 8.91548790
-0.00023931 -0.00010539 -0.00041752
-0.01665700 0.04670500 0.00250676
-7.16606588 6.56737511 10.37350195
0.00115181 -0.00053711 -0.00041897
0.00044777 -0.00214907 0.00505695
-2.12638723 -17.87246359 11.61109579
0.00057747 0.00004528 -0.00018917
0.00231298 0.00595683 -0.00236971
-2.79027687 -15.54608115 9.99859549
-0.00004884 -0.00083065 -0.00018815
-0.00805607 0.00562592 -0.00908819
8.41300990 -0.57540144 -3.05822990
-0.00042895 0.00084584 -0.00148004
0.01214556 0.00238664 0.01820788
7.54317017 1.28668771 -5.25927106
0.00026494 0.00078680 0.00010641
0.00638619 0.00138280 -0.00288746
0.34471628 -11.85542815 1.85859543
0.00004226 -0.00014237 0.00026737
0.00404018 -0.00374301 0.00834714
-0.94637182 -10.59525386 -0.29248430
-0.00052044 0.00003634 0.00031977
-0.00933644 0.00883378 -0.00721247
-19.53612125 -1.44702708 6.88313937
0.00057843 0.00111805 -0.00057854
0.00708315 -0.00197326 0.00777596
-21.28629858 0.45488750 5.93165865
-0.00080202 0.00052710 0.00050692
-0.00704604 0.01116966 -0.00586315
-5.05737584 8.11792045 -26.22623753
-0.00061272 -0.00005582 -0.00074740
0.02799278 0.01377097 -0.05639929
-5.25787549 7.54468001 -23.77398526
0.00089690 0.00040382 0.00004193
-0.02052592 -0.00247251 0.01724213
4.17707426 1.68664583 -2.45250774
0.00035666 0.00007414 0.00028637
0.00074531 0.00959435 -0.00031392
2.14456174 0.25520653 -1.42778281
0.00034921 0.00002657 -0.00018655
-0.02560465 -0.02696111 0.00929831
14.91604941 7.51794336 5.80355074
0.00030174 0.00094989 0.00001119
-0.00095175 -0.00450207 0.01091636
15.60083814 9.82429375 4.12386076
-0.00114281 -0.00106836 0.00015639
-0.00159210 0.00346801 0.00062630
1.53697859 -11.76563772 -13.90024390
0.00015466 0.00005449 -0.00014858
0.00620204 0.00638414 0.00225936
-13.56583069 14.63661408 22.75814744
-0.00001783 0.00013491 0.00015056
-0.00388335 -0.00121388 -0.00301289
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02513189
0.33435720
445.51420192
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1306868578
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3791286728 (a.u.)
total exchange computation time: 2.7898709774 s
-154.1529073698
-931.35871478
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1306868578
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3784746158 (a.u.)
total exchange computation time: 2.7891168594 s
-154.1596023096
Anderson extrapolation: theta=1.3758430934 (1.3758430934)
-931.35894884
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1306868578
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3774775863 (a.u.)
total exchange computation time: 2.7932329178 s
-154.1694776962
Anderson extrapolation: theta=0.0614859467 (0.0614859467)
-931.35909320
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1306868578
ExchangeOperator: bisection time: 1.240 s
total exchange = -52.3773432778 (a.u.)
total exchange computation time: 2.7890851498 s
-154.1706323494
Anderson extrapolation: theta=2.1053826875 (2.0000000000)
-931.35909995
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1306868578
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3770609502 (a.u.)
total exchange computation time: 2.7887220383 s
-154.1730009450
Anderson extrapolation: theta=0.2906634642 (0.2906634642)
-931.35910804
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1306868578
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3769850312 (a.u.)
total exchange computation time: 2.7908449173 s
-154.1735963942
Anderson extrapolation: theta=1.4448107466 (1.4448107466)
-931.35910987
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1306868578
ExchangeOperator: bisection time: 1.246 s
total exchange = -52.3769028042 (a.u.)
total exchange computation time: 2.7899570465 s
-154.1742019840
Anderson extrapolation: theta=0.3572283242 (0.3572283242)
-931.35911161
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1306868578
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3769001377 (a.u.)
total exchange computation time: 2.7888860703 s
-154.1741789029
Anderson extrapolation: theta=1.0538799671 (1.0538799671)
-931.35911206
-22.528851 -171.712808 -243.981607
-137.412670 457.779936 -804.956957
-159.941521 286.067128 -1048.938564
1098.948499
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0551598837
ExchangeOperator: pair fraction: ispin=0: 0.1306868578
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3769161883 (a.u.)
total exchange computation time: 2.7896149158 s
679.05688876
-1084.31860796
89.69982189
-388.61345668
-174.80684210
78.60715430
551.60419304
0.00000000
-931.35911228
-9.22128321 -5.34231034 9.73144415
0.00012903 -0.00001494 0.00020064
0.03160722 -0.03358366 0.01854545
-13.80331857 5.03836810 8.95425593
0.00012472 -0.00008820 -0.00013250
-0.00378834 -0.01132341 0.00519598
-15.81786346 1.56734030 2.94610190
-0.00021994 -0.00015406 0.00010873
-0.00850639 -0.00867930 0.03257541
2.42096730 -19.67776133 13.32833563
-0.00029086 0.00020209 0.00004472
-0.00322328 0.00789704 0.01938284
9.78582704 20.81285758 0.46241554
0.00032757 0.00009900 -0.00015339
0.00159119 -0.01402399 -0.01302558
-11.18186307 12.78324901 15.19135808
-0.00020904 0.00019434 0.00009600
0.00626076 -0.01594901 0.01513846
-6.01509268 1.12959572 -12.93133016
0.00009265 -0.00027827 0.00015724
0.02153745 0.01120961 -0.03822844
-8.92061347 6.67816003 -6.84128434
0.00020728 0.00026162 -0.00002411
-0.00920046 -0.00086515 0.00076014
-7.46714473 -3.71601148 18.04517559
0.00032530 -0.00003490 -0.00009189
0.00281627 -0.05465592 -0.02916547
-23.40731998 -7.56838665 -23.52944642
-0.00034475 -0.00008483 -0.00034001
-0.01039443 -0.01379126 -0.00529211
8.42955398 13.09402876 6.60496915
0.00044415 0.00032318 0.00038493
0.00311323 -0.00127158 -0.02241509
23.15514654 28.89230137 -3.11309363
-0.00036128 -0.00042764 0.00029287
0.01349664 -0.01040198 -0.00542745
9.38311808 0.00354610 -14.62166193
0.00042456 0.00024897 -0.00007083
-0.01273575 -0.01225799 -0.01341158
-9.07776225 -1.08174196 12.57370484
-0.00015348 -0.00014570 -0.00052280
0.00255485 0.00996436 0.00304388
-2.13084886 -25.92393434 10.52576426
-0.00007757 0.00001347 0.00015811
-0.00128150 0.00302200 -0.03401065
-15.23508107 -4.11105100 -7.24041936
-0.00018711 0.00005357 -0.00020836
-0.00269056 -0.01717310 -0.01712190
-19.42201324 -11.01916502 -18.23828490
-0.00010882 -0.00023098 0.00016930
0.01135547 0.02641382 -0.02197532
21.19094175 5.36882043 4.66183885
-0.00040911 0.00018335 0.00004081
-0.00744163 -0.00823272 0.01238266
19.37300772 -11.60462212 -13.33195885
0.00070928 0.00019338 0.00010244
-0.04183112 0.03199957 0.01548418
-3.15005923 -0.30397820 -6.57678450
-0.00032013 -0.00011814 0.00013042
0.00964444 -0.01743693 -0.00640270
-3.78529354 -3.18015024 -17.56970994
0.00030539 0.00009652 -0.00009452
-0.00786032 0.03686084 0.00079315
14.23649163 16.41475758 -21.28150798
0.00016025 -0.00002195 -0.00010890
-0.01176918 0.00306657 -0.00440693
-14.60507487 17.56993582 -13.31887191
0.00023737 0.00054001 -0.00000256
-0.01973872 0.02184259 -0.00888595
1.46045654 15.09793431 7.94656420
-0.00038504 0.00003066 -0.00038318
-0.00863671 -0.01935893 0.03547708
-4.41996813 -9.22204720 3.92254403
0.00018300 0.00013676 -0.00006898
-0.01289071 0.00402203 0.03016415
2.11838271 -5.14751661 2.31148809
-0.00014915 0.00020842 0.00005181
-0.01974308 -0.07734363 0.03225649
9.67848860 7.14759536 4.45373970
-0.00004722 0.00014954 -0.00017514
-0.01778157 0.02316218 -0.02842217
-9.25033785 -10.26041821 -2.67969071
0.00001412 -0.00035545 0.00030674
-0.04122581 0.03267811 -0.00478477
3.46132492 -15.59591535 -13.13568648
-0.00021242 -0.00009229 -0.00000712
-0.01115352 -0.03009860 0.05705530
3.77278117 -5.70157654 -3.24040366
0.00009297 0.00006730 0.00033072
0.02866215 -0.01397582 0.01072388
18.40024266 1.93178673 24.50565764
-0.00006565 -0.00013227 -0.00020850
0.00872590 -0.01026482 0.00397903
-8.86653910 2.57338343 1.52156614
-0.00024544 -0.00032280 0.00003055
-0.01402185 -0.01552577 0.00278552
-6.03076085 12.63727605 -9.80897536
0.00044164 -0.00041261 0.00015469
0.01233799 -0.00120494 -0.00881567
1.61635180 13.27919013 -7.60961652
-0.00003766 0.00014829 0.00015522
0.00162272 -0.01370784 -0.00018100
-11.06820668 10.05763299 -12.51145454
-0.00049990 0.00000376 0.00013027
0.00475917 0.00617234 -0.01031823
7.84362944 3.97870185 14.61938952
-0.00013301 -0.00028970 0.00004643
0.02604742 0.01681306 -0.01480749
-15.43390289 9.79377744 -7.91449077
0.00028995 0.00037367 0.00056558
-0.01319573 -0.00327973 0.00358492
8.67292419 7.77662006 -3.05223564
-0.00044382 -0.00022811 -0.00012266
-0.03014652 -0.04843233 -0.03201996
14.16906153 -20.72040169 -26.71616797
0.00001030 0.00000958 0.00009072
0.00528442 0.03471670 -0.02004689
5.08553319 6.88711877 1.69693758
0.00016957 -0.00026899 0.00033172
-0.00200862 -0.01531266 -0.02078999
18.27918436 -5.85462238 -7.53743382
-0.00008260 -0.00005505 0.00011647
-0.02312001 0.00664178 0.00344012
-1.94331493 -2.09571257 -2.07377329
-0.00008158 -0.00024326 0.00009644
0.01859534 -0.03466723 0.03139031
2.78633158 -2.09936935 -12.03312812
0.00011911 -0.00013334 -0.00001550
-0.01995082 0.03215573 0.00823414
19.67650456 9.25040085 -6.13794406
0.00010065 -0.00019196 0.00024887
0.01690617 -0.01865958 0.00193047
-7.62357511 5.76277063 8.80752438
-0.00025153 -0.00018747 -0.00043343
0.01605252 -0.03738776 -0.00645439
-1.77844343 -16.08978228 11.38598445
0.00019394 -0.00009118 -0.00006628
0.00331802 -0.00720586 0.01332347
7.59567327 -0.44610897 -4.66276584
0.00013550 0.00006651 -0.00018548
-0.01575637 0.02830167 -0.00803792
-1.01630837 -12.16971818 0.66552444
-0.00013630 -0.00024174 0.00008140
0.00198068 -0.00451502 0.00075419
-19.97195718 -0.61134668 5.29974900
-0.00000120 0.00034952 0.00012646
-0.00816333 0.00424216 -0.00800036
-6.43774557 7.92583382 -25.14814241
-0.00020554 0.00026866 -0.00026855
0.01188654 -0.01199236 0.05889558
2.46259478 1.95268148 -1.83840841
-0.00052334 0.00009544 -0.00009434
0.03381755 0.01227302 -0.01221224
14.70643357 8.23397158 4.13695345
-0.00023692 -0.00001374 0.00003110
-0.00541017 -0.00646789 -0.01278340
-8.20640472 -6.89593645 10.29604298
0.00022761 0.00036272 -0.00008450
-0.02008726 0.03346075 -0.00972070
-10.18088093 -5.92475721 8.31992193
-0.00065288 0.00117315 0.00018274
-0.00775365 -0.00542032 -0.00762119
-13.09649431 6.04387810 7.58049766
0.00001917 -0.00047009 -0.00072799
-0.00413364 -0.00711902 -0.00639463
-13.83838834 3.25927560 8.38167679
0.00052908 -0.00024162 0.00100349
0.00785330 0.01829750 0.00856374
-14.74660026 1.59965961 4.51025511
0.00065791 -0.00034999 -0.00083883
-0.01551607 0.00157881 -0.02130731
-17.44251587 0.75680905 3.57773268
0.00072669 0.00049011 0.00009876
0.02211918 0.00942409 -0.00506385
2.69018222 -21.37688156 12.74188671
-0.00065081 -0.00151825 0.00028858
0.00582200 -0.00598406 -0.00444035
3.18944281 -19.54543830 15.01068309
0.00115012 -0.00073268 0.00122166
-0.00640572 -0.00218038 -0.01990600
9.19320669 19.03019080 0.30091780
-0.00010835 -0.00037583 -0.00147164
0.00369113 0.01943098 0.01092437
8.60877302 21.83808776 1.46229423
0.00141154 -0.00000068 -0.00011647
-0.01008040 -0.00960078 -0.00287174
-10.51855225 12.15304546 16.92957858
-0.00006618 -0.00060241 -0.00066485
-0.00598130 0.02113793 -0.02315899
-11.50874468 14.56938360 15.36786603
0.00086308 -0.00084792 0.00065854
0.00042125 -0.00149762 0.00249051
-5.98825337 -0.04479469 -14.32674706
-0.00007809 0.00066956 -0.00033854
0.00379096 0.00530330 -0.00406228
-6.65739491 0.16848415 -11.59331521
-0.00124227 0.00074540 0.00013267
-0.02182463 -0.01552771 0.03943901
-8.13506923 8.30301077 -6.51657870
0.00072091 0.00007230 -0.00073001
-0.00194739 -0.00992965 -0.00437611
-9.86354722 6.43300256 -5.27396980
-0.00013097 0.00085141 0.00075188
0.00097024 0.00652871 -0.00684472
-7.60188611 -1.99130930 18.04182788
-0.00022033 -0.00049805 -0.00032067
-0.00288687 0.05751611 -0.00209921
-7.24286239 -4.18976644 19.74670690
0.00055408 -0.00010837 0.00042531
0.00068635 -0.01105784 0.02929625
-24.83831822 -6.42612182 -23.34835398
0.00010177 0.00027998 -0.00049307
0.02080863 0.00427246 -0.00448139
-21.79039254 -6.71403850 -23.57867898
0.00069860 -0.00092727 -0.00077014
-0.01156625 0.01277218 0.00030977
8.63315763 13.11261704 4.70902001
0.00012935 -0.00008344 -0.00064618
0.00182559 -0.00491674 0.03489065
9.37163367 11.70345207 7.49476782
0.00045583 0.00090307 -0.00111295
-0.00476028 0.01244921 -0.01317877
24.01885356 27.34393792 -2.51081076
0.00116472 -0.00015184 -0.00007866
-0.01851745 0.01453028 -0.00471335
22.99610363 30.04301416 -1.71216360
-0.00073527 -0.00062953 0.00100338
-0.00446279 0.00079848 0.01015255
10.96204778 -0.87155466 -14.45093920
-0.00068468 0.00068357 0.00026884
0.00909779 0.00832844 0.00380215
8.27139166 -1.48794449 -14.67396260
0.00027648 0.00021927 -0.00024923
0.00146105 0.00642557 0.00761771
-9.75394998 -1.09660750 14.26236214
-0.00016771 -0.00132993 0.00020889
0.00117614 -0.00321151 -0.00264520
-9.40193149 -2.67610994 11.74835015
-0.00001983 -0.00013816 0.00136196
-0.00361156 -0.01005859 0.00247188
-3.12722217 -26.42279127 11.95412591
-0.00039896 -0.00007026 -0.00073459
-0.00550777 -0.00632855 0.02302354
-3.37367263 -25.76192367 9.17006804
-0.00024806 0.00018633 0.00035634
0.01315256 0.00140882 0.00145380
-14.74607791 -2.52641109 -6.34211444
-0.00031077 0.00064323 -0.00026557
-0.00405150 -0.00421256 -0.01006374
-16.12053633 -3.66920331 -8.78568684
0.00032538 -0.00058183 -0.00035893
0.00257018 0.00130373 0.01206438
-18.95129019 -9.42951378 -19.13604929
0.00038305 0.00032285 -0.00113663
-0.01066404 -0.01308700 0.01941839
-18.20284384 -12.16427375 -18.97633443
0.00007317 0.00071884 -0.00052483
0.00219796 -0.01458427 0.00238604
22.64859814 5.82495244 3.64143535
-0.00032550 0.00080340 0.00075629
-0.01388823 0.01574597 0.01114017
20.21072886 6.68682547 5.53857546
0.00007373 0.00097268 0.00007712
0.02350203 -0.00627155 -0.02041073
18.28665449 -10.84382588 -11.85022550
0.00020936 -0.00007872 0.00107328
0.02214344 -0.02394931 -0.02903068
18.56228706 -10.66316055 -14.73137779
0.00114491 -0.00011566 -0.00007680
0.01099350 -0.00898684 0.00882774
-1.83503441 0.86480117 -7.00763532
0.00046522 -0.00148594 0.00105904
-0.00564246 0.01153800 -0.00066267
-4.75120718 0.44004962 -6.16593343
-0.00011014 0.00059218 -0.00016096
0.00197398 0.01168423 0.00090547
-2.97932220 -4.46180697 -18.51265800
-0.00036507 -0.00038866 -0.00095004
0.00705481 -0.01392196 -0.00947009
-3.64810318 -1.59168937 -18.59206517
-0.00015866 0.00020148 0.00037674
-0.00223365 -0.01503687 0.01175320
13.81820125 17.70121341 -20.03726696
0.00005560 0.00031977 -0.00124815
0.00346797 -0.00682316 -0.00556318
12.55409896 15.82547314 -21.90062988
-0.00045140 0.00057818 0.00098919
0.01659198 0.00463468 0.01114774
-13.89492896 17.16854882 -11.72661457
-0.00066815 -0.00000130 -0.00074703
0.01039109 -0.00562910 0.01475141
-14.66564059 16.01662111 -14.27451736
0.00017302 -0.00026595 -0.00106568
0.00447704 -0.01967231 -0.00540026
1.99599136 15.71343567 6.34391618
0.00041551 0.00012665 0.00007215
-0.01232462 0.01368353 -0.00704132
-0.01282759 15.84519296 8.86330193
0.00066565 -0.00019056 -0.00107419
0.01978298 0.00253268 -0.02808872
-4.92364932 -8.13485010 2.60115218
0.00168327 0.00043886 -0.00038085
-0.01970197 0.01828193 -0.01235128
-3.25150779 -10.25839308 3.09943655
0.00024499 -0.00045916 -0.00024465
0.02988233 -0.02672101 -0.01950300
1.28704500 -3.89646103 3.18961610
0.00015827 -0.00112055 0.00003082
-0.01573933 0.04489341 0.01911926
3.14780154 -4.50708947 1.10955217
0.00084324 0.00014222 -0.00044050
0.04137802 0.03205753 -0.04763552
8.11557968 7.84734014 3.53855023
-0.00043401 -0.00021096 -0.00002532
0.03979015 -0.02194339 0.01737068
11.25571954 7.91944039 3.75275233
0.00018121 -0.00007648 -0.00069505
-0.01624191 -0.00633283 0.01093484
-7.79060301 -11.23000118 -2.39265111
-0.00076363 0.00014437 0.00006211
0.01972807 -0.02777734 0.01505086
-10.40422382 -9.94726241 -1.26670428
-0.00038434 0.00001635 0.00054112
0.01537937 -0.00275577 -0.00244404
5.22742875 -15.85872969 -12.63385089
-0.00001805 -0.00095574 -0.00122724
0.00591004 0.00319909 -0.02002258
2.74098843 -16.63046733 -11.64350272
-0.00019620 0.00120323 -0.00039095
0.00296918 0.02482071 -0.03996177
4.83827070 -4.88573109 -4.50105053
-0.00107421 0.00045420 0.00039525
-0.00856794 0.00781596 -0.01468736
5.20430542 -6.66374161 -2.49402537
0.00081292 -0.00039415 0.00077883
-0.01904639 0.00213858 0.00481056
16.71131398 2.62734504 24.26745484
0.00003170 0.00011114 0.00092030
0.00201486 -0.00096945 0.00390539
19.42969125 3.08337438 25.56651528
-0.00010566 0.00046080 -0.00025336
-0.01150832 -0.00092968 -0.01181006
-9.66458743 0.90633942 1.50673792
0.00011413 -0.00047299 -0.00020023
0.00850447 -0.00192231 -0.00967077
-10.00687669 3.34695092 2.70753204
-0.00002712 -0.00033575 0.00023170
0.00169159 0.01878322 0.00223737
-5.01289889 13.57017553 -8.57317425
-0.00011826 0.00007881 0.00011782
0.00118412 0.00788891 -0.00438532
-7.55373770 12.34418196 -8.90496428
0.00024423 -0.00022871 -0.00045821
-0.02356779 -0.00759578 0.00427598
1.34826741 11.87374420 -6.49662867
0.00070628 -0.00039014 -0.00028892
-0.01300670 -0.02218632 -0.00954453
1.88583515 14.37724487 -6.22497707
0.00053223 0.00007626 -0.00009997
0.01369962 0.03551966 0.01157622
-10.69360670 8.34987051 -13.05538746
-0.00003707 -0.00092604 -0.00076131
0.00039294 0.00005524 0.00753653
-11.84305653 10.01223519 -10.87395425
0.00058258 0.00040748 0.00018218
-0.00357423 -0.00472606 0.00504985
7.72298555 5.30171903 13.31961520
-0.00053972 -0.00031101 0.00107553
-0.02030229 -0.00779130 0.00669058
9.67774121 3.92702004 14.44658035
0.00008060 -0.00037517 0.00012262
-0.00283048 -0.01214420 0.00950392
-14.21261882 10.90300554 -7.13654510
-0.00013082 0.00170837 -0.00026057
0.01350939 0.01035758 -0.00428015
-16.95750144 10.82170246 -7.93801497
0.00029181 -0.00031956 0.00002288
0.00245445 -0.00377647 -0.00281240
9.23747370 9.24536543 -2.26476997
0.00030789 0.00039392 -0.00045332
0.00479793 0.03404912 0.00121415
7.70215516 7.99104372 -4.68571774
0.00003494 0.00005084 0.00065993
0.01993228 0.01020764 0.03162300
14.48326657 -18.98743007 -27.43077133
-0.00000823 -0.00033558 0.00009775
-0.00397993 -0.02481660 0.00478311
13.41584025 -20.29595771 -25.13000295
0.00001682 0.00027090 0.00068442
-0.00227993 0.00004516 0.01604026
4.91825665 5.04003267 2.18975387
-0.00018177 -0.00042860 -0.00051365
0.01497407 0.03067858 -0.01662274
5.59188932 7.05665697 -0.14546353
-0.00070459 -0.00023712 0.00040512
-0.00517568 -0.01253460 0.03617499
19.91486102 -6.10855018 -6.88698532
0.00018838 0.00186866 -0.00053461
0.02159953 -0.00428944 0.01312134
17.23605120 -5.04808262 -6.21318130
-0.00123417 0.00053128 0.00014608
0.00229181 -0.00033135 -0.00345687
-2.58893800 -0.82407223 -1.00087021
-0.00011974 0.00053090 0.00031200
-0.00843821 0.01936429 0.00625507
-2.09814745 -1.60152436 -3.78060786
-0.00026035 -0.00060622 -0.00062897
-0.01043250 0.01578286 -0.02598991
3.93823515 -3.40841170 -12.32467052
-0.00053918 0.00015840 -0.00050411
0.02168419 -0.03066796 -0.00522998
1.09464571 -2.80202385 -11.80518950
-0.00000580 -0.00042198 -0.00002701
0.00022060 -0.00267640 0.00084570
19.78188919 8.52950107 -7.84609909
0.00039755 0.00029861 -0.00067949
-0.00114687 0.00111121 0.00957077
20.93683316 8.21233655 -5.17426639
0.00091202 -0.00108602 0.00030132
-0.01120465 0.00867519 -0.01118235
-7.02031680 3.82293371 8.90930197
-0.00030689 0.00008396 -0.00040797
-0.01642306 0.04598053 0.00216564
-7.14877507 6.55925257 10.36737244
0.00115215 -0.00054661 -0.00040142
-0.00028162 -0.00249872 0.00353082
-2.11765423 -17.87160182 11.60818561
0.00058686 0.00006560 -0.00019729
0.00228030 0.00398764 -0.00160303
-2.79125628 -15.55836847 9.99549473
-0.00008086 -0.00080699 -0.00022489
-0.00762110 0.00595443 -0.00889701
8.40694785 -0.56264076 -3.07987255
-0.00036827 0.00085233 -0.00138413
0.01755677 0.00079387 0.02874193
7.54733994 1.29853214 -5.25776345
0.00029029 0.00078411 0.00009542
0.00602546 -0.00270126 -0.00249263
0.34547392 -11.85767832 1.86286181
0.00005572 -0.00015811 0.00029866
0.00255039 -0.00396193 0.00696744
-0.95446449 -10.59443804 -0.28790879
-0.00055845 0.00007121 0.00029069
-0.00926911 0.00823635 -0.00701940
-19.52722775 -1.43031681 6.87469951
0.00060943 0.00110504 -0.00053772
0.00809057 -0.00439514 0.01220705
-21.29854482 0.46313628 5.93908272
-0.00082063 0.00056405 0.00047846
-0.00206259 0.00691647 -0.00806707
-5.06570885 8.11750506 -26.23917681
-0.00049878 -0.00000019 -0.00097657
0.02778067 0.01346304 -0.05577885
-5.24505102 7.55066152 -23.77282801
0.00080547 0.00039684 0.00010164
-0.02422943 -0.00094458 0.01198753
4.18244702 1.68805194 -2.44822188
0.00035018 0.00011537 0.00028831
-0.00391899 0.01058993 0.00126770
2.14901522 0.25477892 -1.43029609
0.00024370 -0.00008511 -0.00014786
-0.02604352 -0.02770926 0.00964175
14.92054639 7.53205369 5.80405305
0.00029703 0.00092763 0.00005960
-0.00135350 -0.00639447 0.01278393
15.58364713 9.80837460 4.12622583
-0.00113876 -0.00103404 0.00015669
0.00357643 0.01333296 -0.00047801
1.53931518 -11.76480329 -13.90246655
0.00015691 0.00005677 -0.00014774
0.00635676 0.00637714 0.00243901
-13.56610483 14.63863557 22.76040057
-0.00001874 0.00013463 0.00014986
-0.00401893 -0.00119541 -0.00299237
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02453217
0.33458011
445.81122422
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1310762574
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3774212593 (a.u.)
total exchange computation time: 2.6935098171 s
-154.1402539721
-931.35858784
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1310762574
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3767109467 (a.u.)
total exchange computation time: 2.6929941177 s
-154.1469794922
Anderson extrapolation: theta=1.3755173822 (1.3755173822)
-931.35882290
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1310762574
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3755839295 (a.u.)
total exchange computation time: 2.6940860748 s
-154.1570553175
Anderson extrapolation: theta=0.0624706819 (0.0624706819)
-931.35896813
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1310762574
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3753970351 (a.u.)
total exchange computation time: 2.6938109398 s
-154.1583675241
Anderson extrapolation: theta=2.1429985806 (2.0000000000)
-931.35897509
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1310762574
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3749879908 (a.u.)
total exchange computation time: 2.6963620186 s
-154.1611218818
Anderson extrapolation: theta=0.3112755618 (0.3112755618)
-931.35898345
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1310762574
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3748549975 (a.u.)
total exchange computation time: 2.6943471432 s
-154.1619196127
Anderson extrapolation: theta=1.3384647981 (1.3384647981)
-931.35898536
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1310762574
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3747032299 (a.u.)
total exchange computation time: 2.6943659782 s
-154.1627328684
Anderson extrapolation: theta=0.3861289421 (0.3861289421)
-931.35898700
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1310762574
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3746737563 (a.u.)
total exchange computation time: 2.6964218616 s
-154.1627945978
Anderson extrapolation: theta=1.0014668801 (1.0014668801)
-931.35898744
-22.495824 -171.672325 -244.034804
-137.384193 457.778853 -805.003252
-159.880017 286.106527 -1049.038056
1099.044771
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1310762574
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3746678845 (a.u.)
total exchange computation time: 2.5798559189 s
679.01700442
-1084.23870255
89.70740175
-388.66951616
-174.80050720
78.56253716
551.60419304
0.00000000
-931.35898762
-9.21922579 -5.34266398 9.73452528
0.00014495 -0.00003165 0.00020998
0.03029687 -0.03139719 0.01777379
-13.80146243 5.03700139 8.95228848
0.00012284 -0.00009346 -0.00012992
-0.00351910 -0.00910304 0.00482985
-15.82119538 1.56499599 2.94785844
-0.00022318 -0.00015787 0.00012448
-0.00407331 -0.00615599 0.02868138
2.41659194 -19.67469952 13.32908121
-0.00029086 0.00020344 0.00005628
0.00322597 -0.00265327 0.02556437
9.79074680 20.81428850 0.46006438
0.00032902 0.00009023 -0.00016091
0.00404081 -0.02006680 -0.01621018
-11.18497447 12.78610253 15.19285646
-0.00020547 0.00018392 0.00010328
0.00761577 -0.02455941 0.01317699
-6.01361985 1.12546486 -12.92911908
0.00010382 -0.00027187 0.00013793
0.02189552 0.01367623 -0.03683537
-8.91753983 6.68208101 -6.84164303
0.00020174 0.00026081 -0.00002272
-0.01230781 -0.00229455 0.00462197
-7.46225435 -3.71674577 18.04368467
0.00032703 -0.00006422 -0.00010567
0.00388660 -0.05938906 -0.02438578
-23.41253139 -7.56971230 -23.53456700
-0.00034893 -0.00009187 -0.00034270
-0.00585008 -0.01357411 -0.00516662
8.43622823 13.09887151 6.61065660
0.00044511 0.00032364 0.00037104
0.00062090 0.00306150 -0.03158054
23.14977938 28.88584666 -3.10872158
-0.00035409 -0.00043276 0.00029096
0.01445946 -0.00950778 -0.00199904
9.38943733 0.00723330 -14.62277613
0.00041580 0.00024361 -0.00007802
-0.02132174 -0.00854881 -0.01456023
-9.08005456 -1.08388906 12.56587460
-0.00015271 -0.00013948 -0.00051887
0.00043091 0.01423545 0.01224166
-2.13201738 -25.92372070 10.52800471
-0.00007789 0.00001527 0.00014000
0.00002561 0.00397843 -0.03639489
-15.23789812 -4.11031372 -7.24361077
-0.00018809 0.00004518 -0.00021636
-0.00110709 -0.01544070 -0.01398879
-19.42360175 -11.02252784 -18.23583017
-0.00010253 -0.00021564 0.00015698
0.01311443 0.03325518 -0.02592008
21.18477633 5.37153888 4.66249874
-0.00041341 0.00017973 0.00004756
-0.00926884 -0.00582974 0.01385566
19.38348557 -11.60159803 -13.33036253
0.00068767 0.00020965 0.00011126
-0.04219028 0.03128074 0.01882599
-3.15482400 -0.30581758 -6.57485283
-0.00031607 -0.00012788 0.00012739
0.00613184 -0.02045221 -0.00538708
-3.78074305 -3.17856026 -17.57112473
0.00030186 0.00011426 -0.00009443
-0.00587117 0.03212026 -0.00044867
14.23884996 16.41444010 -21.28315848
0.00015407 -0.00002087 -0.00011175
-0.01226007 0.00115279 -0.00666188
-14.60159048 17.57812027 -13.31894456
0.00022640 0.00054967 -0.00001025
-0.02291360 0.01569125 -0.02103573
1.45464764 15.09831953 7.94095335
-0.00038797 0.00001981 -0.00036579
-0.00276554 -0.02285023 0.03216187
-4.41727283 -9.21998030 3.92162571
0.00017725 0.00013816 -0.00005427
-0.00946770 0.00141176 0.02703775
2.11606924 -5.14468869 2.31238959
-0.00015605 0.00016765 0.00006470
-0.00705152 -0.08119649 0.01789304
9.67771174 7.14992780 4.45100293
-0.00005607 0.00016153 -0.00018984
-0.01664930 0.02347396 -0.02874220
-9.25028506 -10.26562398 -2.67510808
-0.00000941 -0.00033735 0.00030447
-0.05028129 0.03771994 -0.00404137
3.45809563 -15.59741579 -13.13557325
-0.00021772 -0.00010695 0.00002111
-0.00945493 -0.02692987 0.05271680
3.77428624 -5.70062101 -3.23540152
0.00010805 0.00005895 0.00033755
0.02998783 -0.01848510 0.01582830
18.39929159 1.92976309 24.50254555
-0.00006078 -0.00013713 -0.00020603
0.01020581 -0.00863152 0.00559268
-8.87027483 2.56848153 1.52203517
-0.00025254 -0.00033069 0.00003196
-0.01359592 -0.01514873 0.00270503
-6.02408866 12.63108220 -9.80668901
0.00044813 -0.00041326 0.00014994
0.01290439 -0.00129667 -0.00964502
1.61579322 13.28136164 -7.60728890
-0.00003682 0.00014103 0.00015493
0.00164786 -0.01453646 -0.00093260
-11.07568685 10.05771319 -12.50954031
-0.00049648 0.00000497 0.00012334
0.00855216 -0.00145592 -0.01661720
7.84173476 3.97442118 14.62002889
-0.00011916 -0.00028205 0.00003978
0.02782855 0.01295164 -0.01106879
-15.42960453 9.79936981 -7.90599328
0.00028396 0.00037197 0.00056764
-0.01008173 -0.00331902 0.00443056
8.66615063 7.77301163 -3.05419912
-0.00045811 -0.00025160 -0.00013714
-0.02540993 -0.04293371 -0.02426543
14.16923637 -20.72012403 -26.71488454
0.00001237 0.00002716 0.00008173
0.00278605 0.03364486 -0.01489026
5.08806896 6.88302486 1.70183312
0.00016836 -0.00027690 0.00032125
-0.00268711 -0.01543026 -0.01989953
18.27785615 -5.85542253 -7.53567344
-0.00009588 -0.00005109 0.00011888
-0.02849612 0.00874747 0.00591387
-1.94446694 -2.09949524 -2.07220564
-0.00007267 -0.00025965 0.00011221
0.01607316 -0.02904603 0.02993873
2.78804130 -2.10124549 -12.03332884
0.00010769 -0.00011624 -0.00001089
-0.02448306 0.03437221 0.00967205
19.67807949 9.24744952 -6.13420355
0.00011034 -0.00020274 0.00024947
0.02079248 -0.02325617 0.00039509
-7.62728621 5.75981439 8.80099802
-0.00024317 -0.00020622 -0.00043617
0.01649320 -0.03553029 -0.00418823
-1.77552149 -16.09117780 11.38504170
0.00019551 -0.00009437 -0.00005978
0.00275843 -0.00520003 0.01192347
7.59764501 -0.44500222 -4.66557902
0.00012612 0.00008245 -0.00019237
-0.02072222 0.03371676 -0.01875797
-1.01834521 -12.17336163 0.66674843
-0.00013488 -0.00024376 0.00008205
0.00352144 -0.00334854 0.00174605
-19.97200659 -0.60608755 5.30161498
-0.00000693 0.00035330 0.00012178
-0.01412202 0.01047479 -0.01019922
-6.44078276 7.92981748 -25.15194347
-0.00019801 0.00026224 -0.00023754
0.01737758 -0.01296714 0.06170528
2.45487511 1.95416037 -1.83987056
-0.00050476 0.00010132 -0.00010095
0.03844412 0.01058701 -0.01349137
14.70285898 8.23374048 4.13737064
-0.00024095 -0.00001926 0.00002438
-0.01027827 -0.01498257 -0.01334039
-8.20360606 -6.88947037 10.29447756
0.00014626 0.00049545 -0.00012484
-0.01973788 0.03151341 -0.01002261
-10.19091178 -5.90732601 8.32242943
-0.00068262 0.00115001 0.00015354
-0.00680257 -0.00590719 -0.00666842
-13.09633344 6.03660863 7.56938181
0.00000130 -0.00050063 -0.00075192
-0.00461176 -0.00783160 -0.00531947
-13.83021146 3.25621200 8.39699156
0.00056093 -0.00016994 0.00103647
0.00773531 0.01678828 0.00757915
-14.73720703 1.59445807 4.49701967
0.00059558 -0.00034310 -0.00092176
-0.01499589 0.00179429 -0.01928774
-17.43093773 0.76444950 3.57905892
0.00080701 0.00052355 0.00008181
0.01719788 0.00694485 -0.00323366
2.68059849 -21.39983871 12.74607930
-0.00063054 -0.00152129 0.00027650
0.00409916 0.00449656 -0.00146944
3.20649826 -19.55649528 15.02839806
0.00111438 -0.00074182 0.00112155
-0.01108652 -0.00229408 -0.02910177
9.19169453 19.02514871 0.27917800
-0.00009141 -0.00028830 -0.00142475
0.00460051 0.02341894 0.01202610
8.62963725 21.83778335 1.46045912
0.00136349 -0.00003645 -0.00012381
-0.01344200 -0.00790970 -0.00071777
-10.51972829 12.14465710 16.91889611
-0.00008995 -0.00051666 -0.00075658
-0.00565251 0.02083454 -0.02173980
-11.49578555 14.55661886 15.37782045
0.00086149 -0.00083544 0.00067031
-0.00119902 0.00761008 0.00326888
-5.98930860 -0.03458873 -14.33194971
-0.00006324 0.00068743 -0.00035572
0.00348201 0.00344253 -0.00434639
-6.67669779 0.17918937 -11.59011668
-0.00133158 0.00068055 0.00029132
-0.02189172 -0.01621590 0.03822122
-8.12431518 8.30379099 -6.52766297
0.00071319 0.00003283 -0.00074713
-0.00183360 -0.00938898 -0.00400484
-9.86548203 6.44597378 -5.26290137
-0.00012112 0.00087965 0.00071485
0.00385209 0.00729517 -0.01127902
-7.60527952 -1.99701761 18.03695354
-0.00023285 -0.00025658 -0.00032896
-0.00324203 0.06068724 -0.00195960
-7.23453021 -4.19173079 19.75398434
0.00055546 -0.00015049 0.00053474
-0.00000816 -0.00956060 0.02426669
-24.83615406 -6.42179113 -23.35588734
0.00018559 0.00029954 -0.00051132
0.02022264 0.00530064 -0.00445063
-21.78026792 -6.72755618 -23.59022165
0.00064357 -0.00087779 -0.00076872
-0.01537293 0.01144746 0.00038799
8.63515378 13.11121473 4.70039649
0.00013534 -0.00010205 -0.00049372
0.00110941 -0.00419368 0.03973646
9.37832520 11.71737955 7.47766975
0.00044191 0.00094439 -0.00115849
-0.00205273 0.00778089 -0.00911271
24.03575686 27.34210560 -2.51213503
0.00108599 -0.00008939 -0.00009936
-0.02002159 0.01603696 -0.00541957
22.98493782 30.03359565 -1.69680186
-0.00075312 -0.00063025 0.00103902
-0.00427622 -0.00115217 0.00729742
10.95205636 -0.86104582 -14.44679008
-0.00063013 0.00070864 0.00028660
0.01760363 0.00393973 0.00488902
8.27558364 -1.48445851 -14.67746761
0.00028283 0.00024682 -0.00021777
0.00164507 0.00706138 0.00778034
-9.75642955 -1.11665493 14.26541438
-0.00015807 -0.00133972 0.00018891
0.00354039 -0.00157749 -0.00713218
-9.40233960 -2.67849054 11.76885527
-0.00003543 -0.00019052 0.00136269
-0.00402262 -0.01557291 -0.00211598
-3.13337538 -26.42403908 11.94381264
-0.00042440 -0.00009816 -0.00063411
-0.00694350 -0.00732741 0.02616020
-3.37699050 -25.75908552 9.17545775
-0.00019396 0.00019259 0.00036069
0.01333136 0.00165659 0.00067321
-14.75086358 -2.51689176 -6.34640640
-0.00032858 0.00062110 -0.00030917
-0.00466783 -0.00661732 -0.01127951
-16.11557682 -3.67789078 -8.79070114
0.00033365 -0.00057520 -0.00031356
0.00147713 0.00193930 0.01014365
-18.94587122 -9.42507210 -19.15250363
0.00033439 0.00025948 -0.00104945
-0.01315337 -0.01793257 0.02325451
-18.20167892 -12.15393812 -18.98413374
0.00008357 0.00065549 -0.00051482
0.00289174 -0.01642233 0.00251500
22.64329009 5.83748601 3.65312113
-0.00037919 0.00086671 0.00079961
-0.01239600 0.01524408 0.01006114
20.21255503 6.70122348 5.53910683
0.00017039 0.00094311 -0.00000702
0.02381226 -0.00820386 -0.02077674
18.29047344 -10.84574062 -11.83501593
0.00030212 -0.00017730 0.00094849
0.02326505 -0.02430587 -0.03205328
18.57979757 -10.66517076 -14.73225930
0.00118746 -0.00014986 -0.00004144
0.00983649 -0.00775678 0.00848283
-1.82822902 0.84286569 -6.99177010
0.00044815 -0.00143228 0.00105402
-0.00271408 0.01472485 -0.00179037
-4.75279887 0.44929032 -6.16832005
-0.00010053 0.00063965 -0.00015709
0.00273206 0.01155482 0.00098721
-2.98458202 -4.46806345 -18.52719882
-0.00034079 -0.00043747 -0.00098389
0.00482842 -0.00997078 -0.00709999
-3.65055156 -1.58912791 -18.58605389
-0.00016680 0.00014165 0.00042231
-0.00174987 -0.01425198 0.01055509
13.81914160 17.70580085 -20.05615966
0.00007003 0.00029833 -0.00126419
0.00359105 -0.00367078 -0.00229195
12.54783640 15.83428779 -21.88545047
-0.00038293 0.00059490 0.00103228
0.01692616 0.00355076 0.00994888
-13.90463274 17.16835677 -11.73736799
-0.00061956 -0.00002800 -0.00067254
0.01339394 -0.00744011 0.02170995
-14.66290815 16.01202905 -14.29066803
0.00019233 -0.00033060 -0.00107747
0.00497745 -0.01197625 -0.00037283
2.00184627 15.71575472 6.34478264
0.00036579 0.00018321 0.00004214
-0.01201295 0.01400386 -0.00765000
-0.00223664 15.84241213 8.84632842
0.00073400 -0.00017401 -0.00118115
0.01367510 0.00557191 -0.02427183
-4.89900397 -8.12770691 2.59506098
0.00160319 0.00051312 -0.00043025
-0.01950032 0.01806425 -0.01183078
-3.24691718 -10.26609923 3.09516922
0.00035971 -0.00056297 -0.00031881
0.02627392 -0.02409448 -0.01680195
1.28893673 -3.91189367 3.19066426
0.00008391 -0.00092082 0.00011930
-0.02066195 0.05287806 0.02419218
3.16171806 -4.50397383 1.10148496
0.00099633 0.00026451 -0.00061635
0.03356058 0.02780467 -0.03844570
8.11028882 7.84350331 3.53870271
-0.00027098 -0.00030035 0.00004510
0.04001537 -0.02181496 0.01710066
11.25793991 7.91809908 3.74266165
0.00011201 -0.00010339 -0.00064901
-0.01763184 -0.00683801 0.01160461
-7.80145295 -11.22868684 -2.39125821
-0.00066947 0.00002217 0.00012687
0.02636275 -0.03203874 0.01664799
-10.40951768 -9.94710156 -1.25866231
-0.00031685 0.00000400 0.00052604
0.01765876 -0.00329211 -0.00494006
5.22733907 -15.87296768 -12.65287302
0.00000627 -0.00094301 -0.00130803
0.00599624 0.00303101 -0.01952631
2.73813637 -16.61165826 -11.65059148
-0.00018717 0.00129854 -0.00054629
0.00145052 0.02183184 -0.03608114
4.82189507 -4.87867852 -4.49557187
-0.00110367 0.00048804 0.00033146
-0.00585516 0.00874901 -0.01653699
5.21591557 -6.66958835 -2.48219555
0.00072731 -0.00037818 0.00079194
-0.02285875 0.00567835 0.00161044
16.71185119 2.62898250 24.28137904
0.00003763 0.00010693 0.00093454
0.00088697 -0.00109481 0.00306314
19.42775371 3.09025790 25.56235296
-0.00015322 0.00045387 -0.00030349
-0.01177363 -0.00246439 -0.01272888
-9.66261494 0.89918571 1.50343811
0.00014834 -0.00048048 -0.00023914
0.00824225 -0.00174404 -0.00937577
-10.00723160 3.34249021 2.71107608
-0.00002046 -0.00025997 0.00024058
0.00156583 0.01831051 0.00210958
-5.01463644 13.57159946 -8.57154129
-0.00011187 0.00011176 0.00010124
0.00194170 0.00823935 -0.00373427
-7.55079645 12.34051852 -8.91170633
0.00014657 -0.00026033 -0.00044014
-0.02423950 -0.00788226 0.00456868
1.35846307 11.86721217 -6.50125496
0.00065329 -0.00047845 -0.00032782
-0.01293324 -0.02103818 -0.00949911
1.89423834 14.37947722 -6.22612185
0.00058773 0.00022069 -0.00005133
0.01347083 0.03517796 0.01223418
-10.69415064 8.33598165 -13.06657609
-0.00003968 -0.00090891 -0.00072314
-0.00167252 0.00832818 0.01114806
-11.83442728 10.01820261 -10.87106686
0.00056522 0.00038641 0.00020851
-0.00492782 -0.00559129 0.00784017
7.71426760 5.29681506 13.33595316
-0.00062282 -0.00033550 0.00109597
-0.02037269 -0.00419700 0.00331619
9.67886341 3.92102031 14.44871091
0.00006583 -0.00042399 0.00016094
-0.00439709 -0.01175408 0.00925136
-14.21416721 10.92894847 -7.14058486
-0.00007715 0.00174775 -0.00027918
0.01276661 0.00892173 -0.00482814
-16.95304901 10.81679339 -7.93775795
0.00029657 -0.00033220 0.00001105
-0.00012605 -0.00241073 -0.00297892
9.24223902 9.25231766 -2.27153252
0.00032377 0.00052098 -0.00045418
0.00297558 0.02814604 -0.00163706
7.70329004 7.99211916 -4.67484977
0.00011076 0.00009344 0.00077886
0.01718206 0.01064465 0.02659185
14.48302116 -18.99322422 -27.42915858
-0.00002399 -0.00043256 0.00011580
-0.00373682 -0.02265787 0.00405335
13.41602272 -20.29189286 -25.11924519
0.00001199 0.00026892 0.00074097
-0.00008539 -0.00101385 0.01164143
4.91598891 5.03454381 2.18153968
-0.00012090 -0.00030404 -0.00057960
0.01482257 0.03029263 -0.01565840
5.58116191 7.05271601 -0.13827818
-0.00072412 -0.00028710 0.00054899
-0.00438496 -0.01192896 0.03425116
19.91834861 -6.08065165 -6.89460241
0.00027922 0.00185148 -0.00047901
0.02286682 -0.00412166 0.01409500
17.21760892 -5.04012350 -6.21109600
-0.00121727 0.00052499 0.00012508
0.00598136 -0.00275126 -0.00682458
-2.59099262 -0.81551528 -0.99599856
-0.00014983 0.00060182 0.00032972
-0.00629119 0.01534792 0.00242096
-2.10237241 -1.61013407 -3.79083883
-0.00030279 -0.00054433 -0.00072365
-0.01034275 0.01451360 -0.02035433
3.93081198 -3.40697539 -12.33239247
-0.00044411 0.00002677 -0.00052703
0.02485203 -0.03377014 -0.00598934
1.09456540 -2.80843549 -11.80556866
-0.00000242 -0.00043083 -0.00002411
0.00143606 -0.00165644 0.00057057
19.78781730 8.53401430 -7.85599822
0.00039246 0.00030602 -0.00063150
-0.00134684 0.00251681 0.01392312
20.95017015 8.19631211 -5.17008918
0.00085858 -0.00104450 0.00025005
-0.01495468 0.01165033 -0.01391786
-7.02542336 3.82560206 8.90324876
-0.00037313 0.00026905 -0.00039986
-0.01600132 0.04462539 0.00180732
-7.13150152 6.55097690 10.36145931
0.00114926 -0.00055767 -0.00039053
-0.00112996 -0.00291910 0.00180146
-2.10878148 -17.87049567 11.60517720
0.00059605 0.00007746 -0.00020225
0.00222076 0.00181846 -0.00082791
-2.79270275 -15.57029087 9.99184870
-0.00011048 -0.00078234 -0.00025999
-0.00687509 0.00611148 -0.00828277
8.40196179 -0.54983143 -3.09975372
-0.00028584 0.00085258 -0.00124592
0.02279533 -0.00067148 0.03890966
7.55187899 1.31021102 -5.25640860
0.00031409 0.00076534 0.00008581
0.00562092 -0.00648875 -0.00221083
0.34638786 -11.86017131 1.86755519
0.00006295 -0.00017466 0.00032405
0.00098772 -0.00414211 0.00546338
-0.96312523 -10.59311745 -0.28376348
-0.00059607 0.00010314 0.00026279
-0.00914748 0.00738998 -0.00663962
-19.51783841 -1.41387590 6.86700777
0.00064441 0.00108256 -0.00047915
0.00903378 -0.00661041 0.01646432
-21.31091747 0.47180894 5.94601239
-0.00081911 0.00058385 0.00044125
0.00280715 0.00277889 -0.01014459
-5.07233928 8.11791477 -26.25553456
-0.00038916 0.00005361 -0.00119962
0.02587795 0.01287232 -0.05340660
-5.23371148 7.55658514 -23.77093609
0.00069987 0.00039584 0.00014038
-0.02746152 0.00045752 0.00697785
4.18757959 1.69010707 -2.44385833
0.00032534 0.00016028 0.00029639
-0.00823798 0.01139244 0.00268394
2.15187259 0.25265311 -1.43221846
0.00013715 -0.00019704 -0.00010856
-0.02611274 -0.02708138 0.00959222
14.92496041 7.54577212 5.80533884
0.00029063 0.00089809 0.00011472
-0.00178112 -0.00806439 0.01419510
15.56667531 9.79327258 4.12856160
-0.00111334 -0.00095875 0.00015248
0.00886958 0.02352269 -0.00158674
1.54168589 -11.76393462 -13.90467611
0.00015921 0.00005905 -0.00014683
0.00650776 0.00636981 0.00262350
-13.56639296 14.64065291 22.76264328
-0.00001969 0.00013435 0.00014917
-0.00415915 -0.00116644 -0.00295399
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02467955
0.33430807
445.44874691
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1302109248
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3734095704 (a.u.)
total exchange computation time: 2.7058358192 s
-154.1285687563
-931.35752549
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1302109248
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3728245676 (a.u.)
total exchange computation time: 2.7082479000 s
-154.1347328193
Anderson extrapolation: theta=1.3704940882 (1.3704940882)
-931.35776434
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1302109248
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3719430542 (a.u.)
total exchange computation time: 2.7051069736 s
-154.1436983517
Anderson extrapolation: theta=0.0613366503 (0.0613366503)
-931.35791248
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1302109248
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3718304277 (a.u.)
total exchange computation time: 2.7055361271 s
-154.1446805708
Anderson extrapolation: theta=2.1927044847 (2.0000000000)
-931.35792004
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1302109248
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3716000380 (a.u.)
total exchange computation time: 2.7081220150 s
-154.1466481959
Anderson extrapolation: theta=0.3592153094 (0.3592153094)
-931.35792998
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1302109248
ExchangeOperator: bisection time: 1.246 s
total exchange = -52.3715337289 (a.u.)
total exchange computation time: 2.7047569752 s
-154.1471930480
Anderson extrapolation: theta=1.3176060647 (1.3176060647)
-931.35793277
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1302109248
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3714830425 (a.u.)
total exchange computation time: 2.7053508759 s
-154.1475949231
Anderson extrapolation: theta=0.4484640142 (0.4484640142)
-931.35793537
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1302109248
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3714960404 (a.u.)
total exchange computation time: 2.7078771591 s
-154.1474753648
Anderson extrapolation: theta=0.9139590545 (0.9139590545)
-931.35793621
-22.461727 -171.626165 -244.087916
-137.354598 457.781616 -805.049417
-159.816325 286.155451 -1049.137332
1099.143004
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0549418605
ExchangeOperator: pair fraction: ispin=0: 0.1302109248
ExchangeOperator: bisection time: 1.246 s
total exchange = -52.3715339392 (a.u.)
total exchange computation time: 2.6324069500 s
678.97012415
-1084.14142407
89.71563015
-388.73755744
-174.79317549
78.50700884
551.60419304
0.00000000
-931.35793663
-9.21693465 -5.34325983 9.73774353
0.00016011 -0.00004709 0.00021876
0.02863177 -0.02864749 0.01638946
-13.79963343 5.03556444 8.95035830
0.00012110 -0.00009745 -0.00012752
-0.00324870 -0.00642352 0.00449239
-15.82455873 1.56260418 2.94983624
-0.00022403 -0.00016031 0.00013803
0.00073646 -0.00332842 0.02401835
2.41224147 -19.67165818 13.33002400
-0.00028775 0.00019950 0.00007074
0.00887757 -0.01267307 0.03066893
9.79569774 20.81556461 0.45758818
0.00033175 0.00007852 -0.00017008
0.00657692 -0.02548037 -0.01943069
-11.18802713 12.78876658 15.19445649
-0.00020128 0.00016911 0.00010941
0.00866215 -0.03302349 0.01065799
-6.01197810 1.12143950 -12.92719217
0.00011498 -0.00026449 0.00011977
0.02151375 0.01505738 -0.03380875
-8.91456114 6.68598429 -6.84196605
0.00019467 0.00025925 -0.00001948
-0.01519784 -0.00377879 0.00801067
-7.45733398 -3.71793822 18.04200562
0.00032926 -0.00009528 -0.00011683
0.00481222 -0.06136732 -0.01903446
-23.41778793 -7.57114267 -23.53972743
-0.00035075 -0.00009886 -0.00034534
-0.00121185 -0.01362846 -0.00509321
8.44290728 13.10373788 6.61610040
0.00044466 0.00032643 0.00035268
-0.00236082 0.00777986 -0.03982827
23.14452378 28.87931859 -3.10436496
-0.00034648 -0.00043728 0.00029079
0.01512307 -0.00806956 0.00135272
9.39559209 0.01085454 -14.62400267
0.00040267 0.00024023 -0.00008582
-0.02973795 -0.00460673 -0.01576107
-9.08234356 -1.08592633 12.55813880
-0.00015301 -0.00013117 -0.00051039
-0.00160037 0.01806202 0.02073795
-2.13318569 -25.92347638 10.52996438
-0.00007759 0.00001748 0.00012093
0.00116900 0.00464928 -0.03778379
-15.24072372 -4.10969555 -7.24691010
-0.00018824 0.00003762 -0.00022272
0.00053433 -0.01394759 -0.01074756
-19.42508908 -11.02563411 -18.23357541
-0.00009535 -0.00019712 0.00014275
0.01478863 0.03875631 -0.02944612
21.17853941 5.37421236 4.66326552
-0.00041858 0.00017723 0.00005500
-0.01082752 -0.00387917 0.01508837
19.39363794 -11.59833262 -13.32862098
0.00066604 0.00022541 0.00012174
-0.04193741 0.03002107 0.02190409
-3.15954146 -0.30781474 -6.57296273
-0.00031381 -0.00013907 0.00012485
0.00265622 -0.02303084 -0.00448479
-3.77623786 -3.17672249 -17.57254298
0.00029937 0.00012936 -0.00009500
-0.00378525 0.02658573 -0.00175532
14.24111370 16.41413153 -21.28486037
0.00014775 -0.00002077 -0.00011573
-0.01229858 -0.00078519 -0.00884462
-14.59828285 17.58642578 -13.31917949
0.00021395 0.00055622 -0.00002391
-0.02551578 0.00981293 -0.03208130
1.44881740 15.09852848 7.93559061
-0.00038762 0.00000709 -0.00035038
0.00412627 -0.02661421 0.02776466
-4.41465057 -9.21790252 3.92091597
0.00017340 0.00013817 -0.00004150
-0.00552985 -0.00134124 0.02261730
2.11370136 -5.14248717 2.31342914
-0.00015638 0.00012551 0.00007017
0.00574515 -0.08265061 0.00336659
9.67680643 7.15244133 4.44804441
-0.00006425 0.00017354 -0.00020454
-0.01515072 0.02320828 -0.02841792
-9.25062018 -10.27053875 -2.67055664
-0.00003716 -0.00031689 0.00030256
-0.05763790 0.04183205 -0.00340160
3.45479340 -15.59912399 -13.13505332
-0.00022199 -0.00011982 0.00004682
-0.00716052 -0.02308455 0.04728155
3.77602266 -5.69980809 -3.23027727
0.00012369 0.00004843 0.00034686
0.03083120 -0.02243621 0.02039088
18.39841925 1.92767286 24.49947661
-0.00005522 -0.00014116 -0.00020284
0.01143150 -0.00702689 0.00684197
-8.87411544 2.56346276 1.52252507
-0.00025943 -0.00033832 0.00003337
-0.01319348 -0.01454257 0.00275585
-6.01731691 12.62487834 -9.80447706
0.00045472 -0.00041398 0.00014490
0.01270528 -0.00151655 -0.00997491
1.61524735 13.28342101 -7.60496847
-0.00003593 0.00013346 0.00015453
0.00180537 -0.01491043 -0.00065023
-11.08310104 10.05778215 -12.50775429
-0.00049122 0.00000246 0.00011332
0.01191348 -0.00830618 -0.02235278
7.84005477 3.97024043 14.62058286
-0.00010444 -0.00027647 0.00003509
0.02939018 0.00873770 -0.00715361
-15.42538394 9.80493657 -7.89746161
0.00027970 0.00037030 0.00057018
-0.00649381 -0.00316512 0.00544092
8.65918104 7.76907199 -3.05634980
-0.00046968 -0.00027207 -0.00014728
-0.01961045 -0.03667119 -0.01516148
14.16943272 -20.71958682 -26.71371599
0.00001311 0.00004403 0.00007552
0.00009827 0.03196014 -0.00927048
5.09058400 6.87881191 1.70657513
0.00016678 -0.00028473 0.00031140
-0.00346794 -0.01503186 -0.01840385
18.27630809 -5.85615519 -7.53386744
-0.00011150 -0.00004616 0.00012258
-0.03225599 0.01043010 0.00846194
-1.94549496 -2.10350200 -2.07040702
-0.00006509 -0.00027301 0.00012708
0.01340728 -0.02291660 0.02790618
2.78956214 -2.10285645 -12.03345495
0.00009426 -0.00009832 -0.00000563
-0.02772407 0.03529558 0.01080548
19.67981482 9.24431878 -6.13045999
0.00012189 -0.00021572 0.00024927
0.02409980 -0.02723260 -0.00116864
-7.63087006 5.75658406 8.79443934
-0.00023459 -0.00022384 -0.00043770
0.01684422 -0.03298029 -0.00177694
-1.77257827 -16.09261343 11.38419094
0.00019671 -0.00009646 -0.00005411
0.00194202 -0.00291694 0.01014078
7.59945688 -0.44363536 -4.66853691
0.00011432 0.00010103 -0.00020447
-0.02516224 0.03851844 -0.02831397
-1.02035489 -12.17703092 0.66798588
-0.00013268 -0.00024513 0.00008318
0.00504299 -0.00197979 0.00267055
-19.97216495 -0.60074761 5.30340228
-0.00001562 0.00036015 0.00011602
-0.01970534 0.01614421 -0.01219496
-6.44368590 7.93370111 -25.15526849
-0.00018741 0.00025544 -0.00020557
0.02385359 -0.01350565 0.06258332
2.44745203 1.95572094 -1.84143679
-0.00048399 0.00010604 -0.00010807
0.04231670 0.00779642 -0.01421089
14.69920509 8.23339380 4.13768492
-0.00024744 -0.00002918 0.00001750
-0.01495245 -0.02360208 -0.01342182
-8.20201706 -6.88107295 10.29229790
0.00006749 0.00061871 -0.00016594
-0.01882060 0.02882430 -0.01010023
-10.20135954 -5.89025685 8.32452825
-0.00070777 0.00112528 0.00012917
-0.00550778 -0.00619720 -0.00526523
-13.09645520 6.02885919 7.55793996
-0.00001847 -0.00053400 -0.00077139
-0.00506994 -0.00850425 -0.00420735
-13.82156052 3.25417729 8.41277082
0.00059224 -0.00010542 0.00106523
0.00759208 0.01479611 0.00649998
-14.72873285 1.58936649 4.48260216
0.00053622 -0.00033532 -0.00099546
-0.01406189 0.00201598 -0.01678737
-17.41830560 0.77251558 3.58018698
0.00086565 0.00054615 0.00007294
0.01150797 0.00411803 -0.00110648
2.67126598 -21.42252027 12.75018183
-0.00061688 -0.00148308 0.00027578
0.00258984 0.01420664 0.00111626
3.22287426 -19.56769286 15.04432949
0.00106068 -0.00075093 0.00098688
-0.01519855 -0.00216559 -0.03681738
9.19046432 19.02154186 0.25817523
-0.00007109 -0.00018592 -0.00137347
0.00534932 0.02669578 0.01307577
8.64967768 21.83699418 1.45858001
0.00130188 -0.00006512 -0.00012225
-0.01671544 -0.00612292 0.00147781
-10.52125075 12.13754562 16.90688129
-0.00011200 -0.00043277 -0.00084154
-0.00513928 0.02022961 -0.01985156
-11.48289990 14.54432052 15.38797520
0.00085351 -0.00078550 0.00068542
-0.00270920 0.01683418 0.00413136
-5.99015043 -0.02417178 -14.33741874
-0.00004973 0.00069764 -0.00037403
0.00312782 0.00155530 -0.00461727
-6.69734232 0.18890079 -11.58457571
-0.00141948 0.00061506 0.00044158
-0.02113762 -0.01584270 0.03533324
-8.11367350 8.30399579 -6.53899268
0.00070614 -0.00000399 -0.00076269
-0.00161537 -0.00863582 -0.00361033
-9.86718077 6.45939210 -5.25252419
-0.00010006 0.00091072 0.00066063
0.00645372 0.00791380 -0.01526606
-7.60887161 -1.99900663 18.03195910
-0.00024631 -0.00000834 -0.00033655
-0.00334856 0.06082786 -0.00175580
-7.22619853 -4.19428108 19.76274900
0.00055378 -0.00018602 0.00062224
-0.00081433 -0.00783474 0.01856673
-24.83275053 -6.41713558 -23.36369345
0.00026629 0.00032365 -0.00052937
0.01928036 0.00650053 -0.00438921
-21.77108544 -6.74037229 -23.60174053
0.00057351 -0.00083358 -0.00076692
-0.01892286 0.01019736 0.00049037
8.63721791 13.10955540 4.69420826
0.00013863 -0.00011758 -0.00032383
0.00049983 -0.00340731 0.04343011
9.38489094 11.73178390 7.46001320
0.00043978 0.00096574 -0.00118695
0.00101207 0.00266984 -0.00482049
24.05143311 27.34125612 -2.51379145
0.00100166 -0.00002179 -0.00012257
-0.02125384 0.01705717 -0.00594294
22.97350994 30.02410653 -1.68099290
-0.00077017 -0.00063904 0.00106273
-0.00406795 -0.00314679 0.00430511
10.94314380 -0.85029554 -14.44234132
-0.00054098 0.00071573 0.00030891
0.02603561 -0.00046624 0.00603533
8.27987644 -1.48053977 -14.68049579
0.00028972 0.00027657 -0.00018571
0.00173054 0.00749941 0.00791319
-9.75869214 -1.13679903 14.26802952
-0.00013916 -0.00134253 0.00015148
0.00571528 0.00019868 -0.01119178
-9.40299425 -2.68182555 11.78923072
-0.00005241 -0.00026484 0.00134513
-0.00428926 -0.02080759 -0.00647695
-3.13995413 -26.42573595 11.93510264
-0.00045478 -0.00012967 -0.00052244
-0.00792747 -0.00809848 0.02850428
-3.37949133 -25.75614585 9.18088873
-0.00013972 0.00019994 0.00036139
0.01321698 0.00193937 -0.00033019
-14.75593532 -2.50777798 -6.35138964
-0.00034869 0.00058961 -0.00035733
-0.00517580 -0.00879969 -0.01229351
-16.11052678 -3.68645940 -8.79509378
0.00033713 -0.00056591 -0.00027664
0.00022381 0.00260761 0.00792993
-18.94125837 -9.42172943 -19.16753280
0.00027627 0.00017834 -0.00094773
-0.01529642 -0.02178390 0.02653634
-18.20033678 -12.14460895 -18.99177892
0.00009630 0.00058534 -0.00050405
0.00334146 -0.01791959 0.00275542
22.63722234 5.85095384 3.66542352
-0.00042636 0.00092788 0.00083819
-0.01069361 0.01469842 0.00882651
20.21584055 6.71511871 5.53836487
0.00026729 0.00090658 -0.00009185
0.02362125 -0.00967561 -0.02074724
18.29571821 -10.84914497 -11.82177079
0.00039857 -0.00027656 0.00081271
0.02394814 -0.02428254 -0.03441109
18.59791092 -10.66765636 -14.73262092
0.00122487 -0.00017857 -0.00000827
0.00847519 -0.00629451 0.00775458
-1.82158997 0.82183264 -6.97601460
0.00044271 -0.00136630 0.00104466
0.00005419 0.01757347 -0.00279419
-4.75422311 0.45923917 -6.17064617
-0.00008752 0.00068631 -0.00015296
0.00363505 0.01128565 0.00103418
-2.98954593 -4.47493100 -18.54217477
-0.00032592 -0.00046935 -0.00100739
0.00245141 -0.00563423 -0.00440253
-3.65310718 -1.58743991 -18.57939572
-0.00017291 0.00008589 0.00046246
-0.00124022 -0.01304471 0.00909566
13.82030202 17.71016332 -20.07519281
0.00008489 0.00029018 -0.00126670
0.00368750 -0.00031711 0.00106771
12.54261118 15.84332005 -21.86966133
-0.00031396 0.00060683 0.00107017
0.01683415 0.00229083 0.00859603
-13.91351566 17.16770874 -11.74679088
-0.00056006 -0.00006176 -0.00057145
0.01573083 -0.00908275 0.02777560
-14.65987066 16.00670300 -14.30684155
0.00021363 -0.00036458 -0.00106909
0.00544891 -0.00465433 0.00447428
2.00696495 15.71893202 6.34518026
0.00031719 0.00024061 0.00001049
-0.01177347 0.01409350 -0.00784134
0.00919241 15.83997278 8.82786739
0.00077546 -0.00014406 -0.00127117
0.00661886 0.00908637 -0.01979526
-4.87555372 -8.11945663 2.58824471
0.00152464 0.00058489 -0.00047590
-0.01894681 0.01707166 -0.01051787
-3.24071635 -10.27528204 3.08987215
0.00045787 -0.00065423 -0.00038092
0.02177429 -0.02058067 -0.01359918
1.28956216 -3.92408561 3.19319507
-0.00000811 -0.00069210 0.00022612
-0.02438054 0.05908334 0.02809612
3.17769138 -4.49915415 1.09106155
0.00111481 0.00036806 -0.00075187
0.02443479 0.02288298 -0.02789155
8.10745036 7.83832952 3.53990322
-0.00010870 -0.00038839 0.00011346
0.03941840 -0.02127850 0.01636396
11.25907970 7.91633868 3.73328217
0.00003806 -0.00013191 -0.00060064
-0.01856284 -0.00712322 0.01207268
-7.81068722 -11.22933602 -2.38884503
-0.00055086 -0.00011578 0.00019746
0.03169857 -0.03549001 0.01790664
-10.41372931 -9.94714247 -1.25092309
-0.00024088 -0.00001034 0.00050167
0.01953049 -0.00372509 -0.00698876
5.22761686 -15.88701992 -12.67309185
0.00003058 -0.00093104 -0.00138665
0.00590165 0.00282967 -0.01895685
2.73537320 -16.59151121 -11.65989152
-0.00018522 0.00138033 -0.00068362
-0.00049400 0.01820675 -0.03113944
4.80516061 -4.87108976 -4.49110670
-0.00112238 0.00052535 0.00026068
-0.00330189 0.00951251 -0.01811011
5.22612480 -6.67508709 -2.47026704
0.00062751 -0.00034857 0.00079255
-0.02599743 0.00881734 -0.00131483
16.71244276 2.63055286 24.29549096
0.00003914 0.00010209 0.00094539
-0.00014596 -0.00127423 0.00224849
19.42509461 3.09699039 25.55741053
-0.00020149 0.00044099 -0.00035692
-0.01185504 -0.00383999 -0.01342306
-9.66013731 0.89192512 1.49956371
0.00018127 -0.00048729 -0.00027666
0.00787810 -0.00159262 -0.00899204
-10.00749054 3.33915169 2.71474941
-0.00001404 -0.00018658 0.00024855
0.00157957 0.01761879 0.00179444
-5.01625498 13.57352834 -8.57013719
-0.00010266 0.00014596 0.00008718
0.00256790 0.00850146 -0.00314415
-7.54934073 12.33637199 -8.91816839
0.00004790 -0.00029266 -0.00042178
-0.02405724 -0.00794253 0.00441597
1.36786611 11.85939079 -6.50646341
0.00060081 -0.00056097 -0.00036682
-0.01275521 -0.01935574 -0.00958846
1.90346710 14.38386549 -6.22651685
0.00064189 0.00036167 -0.00000180
0.01303770 0.03383461 0.01200917
-10.69479708 8.32260318 -13.07708151
-0.00005039 -0.00085972 -0.00067074
-0.00356901 0.01575315 0.01450158
-11.82610004 10.02382736 -10.86769898
0.00054274 0.00036192 0.00024557
-0.00607233 -0.00639501 0.01030258
7.70430109 5.29165388 13.35249435
-0.00070607 -0.00034481 0.00110235
-0.02037995 -0.00035981 -0.00019620
9.67971612 3.91430023 14.45140845
0.00004504 -0.00047103 0.00019800
-0.00577982 -0.01127010 0.00888935
-14.21493319 10.95543817 -7.14492051
-0.00002734 0.00178051 -0.00030051
0.01161241 0.00711329 -0.00561446
-16.94860431 10.81173658 -7.93768349
0.00029069 -0.00033921 -0.00000150
-0.00275371 -0.00102059 -0.00316350
9.24718669 9.26099485 -2.27839540
0.00033153 0.00062216 -0.00046722
0.00082627 0.02138432 -0.00474735
7.70547793 7.99384696 -4.66235208
0.00017423 0.00013792 0.00087545
0.01388918 0.01112851 0.02069285
14.48254674 -19.00040698 -27.42729740
-0.00003853 -0.00051938 0.00013033
-0.00337977 -0.01983709 0.00306226
13.41619995 -20.28789014 -25.10777398
0.00001623 0.00026257 0.00077917
0.00216300 -0.00209211 0.00706047
4.91462959 5.03091148 2.17236585
-0.00006094 -0.00018248 -0.00064111
0.01453098 0.02921251 -0.01444865
5.57016577 7.04804396 -0.12899370
-0.00074004 -0.00033426 0.00068327
-0.00340852 -0.01115821 0.03147783
19.92323762 -6.05300573 -6.90135567
0.00037257 0.00183539 -0.00042057
0.02282655 -0.00375543 0.01451380
17.19953321 -5.03233301 -6.20942896
-0.00118591 0.00050933 0.00009127
0.00936816 -0.00491359 -0.00972669
-2.59343281 -0.80601771 -0.99097853
-0.00017064 0.00065498 0.00033092
-0.00389934 0.01067592 -0.00183420
-2.10723125 -1.61785430 -3.80231724
-0.00034470 -0.00048802 -0.00079388
-0.01016967 0.01304935 -0.01402737
3.92491189 -3.40760872 -12.34048148
-0.00033849 -0.00011483 -0.00055252
0.02684859 -0.03554194 -0.00648874
1.09457310 -2.81494865 -11.80591286
0.00000569 -0.00043557 -0.00002230
0.00253597 -0.00066577 0.00031431
19.79366286 8.53868177 -7.86504406
0.00038651 0.00031873 -0.00056671
-0.00156176 0.00370302 0.01779122
20.96259064 8.18100167 -5.16676494
0.00079102 -0.00099170 0.00018866
-0.01811966 0.01419209 -0.01613075
-7.03151058 3.83100533 8.89730631
-0.00043724 0.00044727 -0.00039324
-0.01538521 0.04261325 0.00142931
-7.11429723 6.54252233 10.35565659
0.00114271 -0.00057052 -0.00038697
-0.00207660 -0.00337117 -0.00005942
-2.09977263 -17.86927807 11.60211804
0.00060497 0.00008021 -0.00020408
0.00214429 -0.00047192 -0.00006587
-2.79457056 -15.58183871 9.98769505
-0.00013647 -0.00075736 -0.00029180
-0.00584838 0.00611540 -0.00728914
8.39837277 -0.53706325 -3.11725026
-0.00018305 0.00084721 -0.00106829
0.02751931 -0.00196019 0.04804156
7.55676252 1.32149224 -5.25518924
0.00033614 0.00073190 0.00007708
0.00517611 -0.00988020 -0.00205927
0.34736234 -11.86291815 1.87258340
0.00006376 -0.00019186 0.00034316
-0.00059218 -0.00427547 0.00388940
-0.97234658 -10.59134395 -0.28002508
-0.00063308 0.00013115 0.00023678
-0.00896978 0.00632388 -0.00609338
-19.50789542 -1.39784012 6.86032507
0.00068299 0.00105165 -0.00040395
0.00985258 -0.00851947 0.02034665
-21.32311808 0.48065191 5.95232033
-0.00079828 0.00058728 0.00039598
0.00738830 -0.00110168 -0.01201969
-5.07738376 8.11911338 -26.27516540
-0.00029035 0.00010454 -0.00140969
0.02249149 0.01205545 -0.04942299
-5.22405495 7.56253679 -23.76861653
0.00058217 0.00040026 0.00015941
-0.03015302 0.00170587 0.00233704
4.19220730 1.69286039 -2.43933030
0.00028380 0.00020805 0.00030985
-0.01209827 0.01199004 0.00390877
2.15312961 0.24886759 -1.43355297
0.00003102 -0.00030374 -0.00007024
-0.02583877 -0.02514803 0.00916777
14.92926528 7.55899632 5.80749459
0.00028242 0.00086224 0.00017454
-0.00223554 -0.00948214 0.01508877
15.55024707 9.77961218 4.13080013
-0.00106660 -0.00084216 0.00014378
0.01400893 0.03354701 -0.00267063
1.54409154 -11.76303175 -13.90687159
0.00016157 0.00006133 -0.00014586
0.00665522 0.00636544 0.00280835
-13.56669558 14.64266618 22.76487570
-0.00002067 0.00013409 0.00014849
-0.00431368 -0.00113689 -0.00290011
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02420735
0.33372928
444.67753047
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553779070
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3707798600 (a.u.)
total exchange computation time: 2.6427910328 s
-154.1112844673
-931.35720065
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553779070
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3701358513 (a.u.)
total exchange computation time: 2.6415269375 s
-154.1175360220
Anderson extrapolation: theta=1.3728188755 (1.3728188755)
-931.35744800
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553779070
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3691178907 (a.u.)
total exchange computation time: 2.6422581673 s
-154.1268154553
Anderson extrapolation: theta=0.0614317073 (0.0614317073)
-931.35760137
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553779070
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3689490633 (a.u.)
total exchange computation time: 2.6418609619 s
-154.1279879534
Anderson extrapolation: theta=2.1820199338 (2.0000000000)
-931.35760913
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553779070
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3685752800 (a.u.)
total exchange computation time: 2.6434469223 s
-154.1304586263
Anderson extrapolation: theta=0.3473553916 (0.3473553916)
-931.35761921
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553779070
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3684387411 (a.u.)
total exchange computation time: 2.6433260441 s
-154.1312514275
Anderson extrapolation: theta=1.3156568915 (1.3156568915)
-931.35762199
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553779070
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3682840348 (a.u.)
total exchange computation time: 2.6410000324 s
-154.1320325516
Anderson extrapolation: theta=0.4302636745 (0.4302636745)
-931.35762465
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553779070
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3682465844 (a.u.)
total exchange computation time: 2.6416831017 s
-154.1321015877
Anderson extrapolation: theta=0.9233618459 (0.9233618459)
-931.35762557
-22.421659 -171.579853 -244.141070
-137.324197 457.788378 -805.095178
-159.745856 286.208525 -1049.236248
1099.240994
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553779070
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3682362112 (a.u.)
total exchange computation time: 2.6429889202 s
678.91266140
-1084.02390714
89.72505562
-388.81937416
-174.78382566
78.44141149
551.60419304
0.00000000
-931.35762614
-9.21442261 -5.34407670 9.74108822
0.00017407 -0.00006091 0.00022658
0.02567145 -0.02507729 0.01399237
-13.79782950 5.03407794 8.94846277
0.00011949 -0.00009996 -0.00012529
-0.00298718 -0.00334676 0.00418511
-15.82791639 1.56018670 2.95199934
-0.00022236 -0.00016119 0.00014896
0.00578526 -0.00008984 0.01849982
2.40795949 -19.66871460 13.33120340
-0.00028194 0.00019060 0.00008756
0.01370041 -0.02191221 0.03473053
9.80069941 20.81664415 0.45496206
0.00033578 0.00006423 -0.00018087
0.00908608 -0.03008664 -0.02252607
-11.19101296 12.79117586 15.19613874
-0.00019666 0.00015013 0.00011409
0.00929515 -0.04078868 0.00754798
-6.01017039 1.11753030 -12.92552608
0.00012580 -0.00025661 0.00010349
0.02055284 0.01558414 -0.02949497
-8.91169970 6.68985843 -6.84222728
0.00018618 0.00025692 -0.00001462
-0.01782804 -0.00528270 0.01085982
-7.45237648 -3.71960411 18.04017973
0.00033191 -0.00012657 -0.00012516
0.00549893 -0.06033343 -0.01335888
-23.42305381 -7.57267818 -23.54492716
-0.00035019 -0.00010594 -0.00034795
0.00336974 -0.01391216 -0.00504485
8.44956810 13.10866427 6.62123695
0.00044257 0.00033170 0.00033035
-0.00576616 0.01274775 -0.04701840
23.13938484 28.87272827 -3.09999790
-0.00033862 -0.00044094 0.00029230
0.01544923 -0.00615779 0.00452039
9.40151742 0.01444025 -14.62535079
0.00038538 0.00023888 -0.00009423
-0.03751261 -0.00063887 -0.01692729
-9.08464490 -1.08782426 12.55056298
-0.00015431 -0.00012104 -0.00049789
-0.00344020 0.02133663 0.02785085
-2.13434499 -25.92319618 10.53163257
-0.00007676 0.00001996 0.00010144
0.00204749 0.00499034 -0.03798915
-15.24354519 -4.10918498 -7.25029235
-0.00018754 0.00003078 -0.00022740
0.00218863 -0.01266921 -0.00744371
-19.42646232 -11.02844138 -18.23154781
-0.00008734 -0.00017613 0.00012681
0.01637119 0.04287622 -0.03250992
21.17221896 5.37685590 4.66414871
-0.00042445 0.00017564 0.00006300
-0.01199670 -0.00231730 0.01602955
19.40346677 -11.59483560 -13.32671044
0.00064469 0.00024038 0.00013372
-0.04108543 0.02819170 0.02468697
-3.16423843 -0.30998958 -6.57110722
-0.00031329 -0.00015142 0.00012275
-0.00060263 -0.02501570 -0.00369656
-3.77176186 -3.17467961 -17.57397477
0.00029796 0.00014143 -0.00009623
-0.00169411 0.02037115 -0.00300699
14.24328256 16.41381689 -21.28663049
0.00014153 -0.00002166 -0.00012080
-0.01188449 -0.00265708 -0.01086560
-14.59517207 17.59480699 -13.31966192
0.00020029 0.00055985 -0.00004289
-0.02757625 0.00429224 -0.04170245
1.44301900 15.09853210 7.93044207
-0.00038349 -0.00000762 -0.00033749
0.01193545 -0.03056454 0.02234020
-4.41207096 -9.21583508 3.92038072
0.00017165 0.00013679 -0.00003129
-0.00126599 -0.00405332 0.01708101
2.11137781 -5.14092327 2.31449465
-0.00015040 0.00008333 0.00006844
0.01752544 -0.08138476 -0.01007140
9.67578425 7.15513390 4.44486666
-0.00007155 0.00018524 -0.00021889
-0.01324738 0.02230828 -0.02737252
-9.25139996 -10.27513080 -2.66603143
-0.00006811 -0.00029466 0.00030095
-0.06271568 0.04463853 -0.00284811
3.45143592 -15.60101027 -13.13416863
-0.00022491 -0.00013051 0.00006942
-0.00417918 -0.01851257 0.04058633
3.77799694 -5.69916825 -3.22499571
0.00013964 0.00003605 0.00035834
0.03119641 -0.02567686 0.02424294
18.39763510 1.92552842 24.49646045
-0.00004913 -0.00014438 -0.00019901
0.01224940 -0.00551734 0.00804097
-8.87805783 2.55833180 1.52303623
-0.00026612 -0.00034558 0.00003482
-0.01282280 -0.01368887 0.00288366
-6.01044714 12.61866279 -9.80234207
0.00046100 -0.00041485 0.00013982
0.01172206 -0.00186065 -0.00975455
1.61471541 13.28536535 -7.60265306
-0.00003492 0.00012582 0.00015452
0.00209367 -0.01478049 0.00060487
-11.09042332 10.05778703 -12.50614071
-0.00048436 -0.00000334 0.00010056
0.01475213 -0.01424530 -0.02726942
7.83860152 3.96612709 14.62108164
-0.00008901 -0.00027311 0.00003246
0.03061852 0.00431662 -0.00306847
-15.42121346 9.81047892 -7.88888796
0.00027736 0.00036881 0.00057325
-0.00261752 -0.00262511 0.00649476
8.65206016 7.76484944 -3.05861745
-0.00047807 -0.00028922 -0.00015248
-0.01299591 -0.02999322 -0.00506853
14.16962981 -20.71880304 -26.71261896
0.00001245 0.00005986 0.00007227
-0.00267185 0.02957454 -0.00334905
5.09307229 6.87448299 1.71117517
0.00016479 -0.00029218 0.00030248
-0.00426335 -0.01394064 -0.01628014
18.27451119 -5.85680740 -7.53199616
-0.00012860 -0.00004047 0.00012760
-0.03426135 0.01172003 0.01105562
-1.94641954 -2.10768554 -2.06839311
-0.00005891 -0.00028315 0.00014080
0.01061774 -0.01653111 0.02544381
2.79086909 -2.10419512 -12.03349770
0.00007955 -0.00008032 0.00000012
-0.02945977 0.03471714 0.01153908
19.68173607 9.24097794 -6.12672545
0.00013497 -0.00023057 0.00024828
0.02678643 -0.03052383 -0.00267613
-7.63432397 5.75309929 8.78786696
-0.00022588 -0.00023994 -0.00043797
0.01701673 -0.02962134 0.00071622
-1.76962007 -16.09407156 11.38341841
0.00019744 -0.00009733 -0.00004944
0.00089437 -0.00046301 0.00803400
7.60107463 -0.44197134 -4.67171323
0.00010048 0.00012187 -0.00022100
-0.02866487 0.04252571 -0.03593332
-1.02232567 -12.18071547 0.66924394
-0.00012972 -0.00024575 0.00008476
0.00648603 -0.00044241 0.00347843
-19.97247534 -0.59528313 5.30509550
-0.00002704 0.00036971 0.00010933
-0.02467957 0.02102617 -0.01380632
-6.44640501 7.93748055 -25.15811071
-0.00017332 0.00024845 -0.00017366
0.03092573 -0.01364955 0.06151952
2.44035540 1.95734166 -1.84311266
-0.00046147 0.00010908 -0.00011542
0.04526123 0.00402601 -0.01436100
14.69543585 8.23286503 4.13789566
-0.00025619 -0.00004340 0.00001071
-0.01908820 -0.03169041 -0.01298308
-8.20158150 -6.87090899 10.28949922
-0.00000630 0.00072909 -0.00020658
-0.01729917 0.02520812 -0.00979016
-10.21214485 -5.87356748 8.32630438
-0.00072712 0.00109965 0.00011120
-0.00396240 -0.00634888 -0.00352742
-13.09688768 6.02058856 7.54624025
-0.00004004 -0.00056999 -0.00078629
-0.00548806 -0.00911361 -0.00308621
-13.81244429 3.25304938 8.42894845
0.00062293 -0.00004995 0.00108944
0.00743086 0.01235660 0.00535311
-14.72112046 1.58439846 4.46715581
0.00048156 -0.00032657 -0.00105796
-0.01269554 0.00226636 -0.01380614
-17.40496819 0.78083404 3.58124723
0.00089951 0.00055655 0.00007337
0.00506756 0.00097055 0.00131635
2.66209220 -21.44433117 12.75435278
-0.00060892 -0.00140723 0.00028473
0.00130580 0.02292135 0.00326559
3.23831880 -19.57902316 15.05800453
0.00099143 -0.00075909 0.00082373
-0.01870441 -0.00183038 -0.04304872
9.18956194 19.01957111 0.23797383
-0.00004807 -0.00007172 -0.00131808
0.00591732 0.02920488 0.01403899
8.66869369 21.83582977 1.45679147
0.00122733 -0.00008649 -0.00011186
-0.01977897 -0.00433920 0.00360942
-10.52308817 12.13167393 16.89364985
-0.00013154 -0.00035202 -0.00091777
-0.00442799 0.01930124 -0.01746497
-11.47018029 14.53305388 15.39838315
0.00083971 -0.00069854 0.00070411
-0.00404491 0.02573511 0.00501679
-5.99080056 -0.01365952 -14.34317074
-0.00003775 0.00070025 -0.00039335
0.00273797 -0.00027699 -0.00484001
-6.71928230 0.19764127 -11.57686931
-0.00150326 0.00055257 0.00057770
-0.01987082 -0.01474590 0.03129860
-8.10313083 8.30367133 -6.55054365
0.00070017 -0.00003737 -0.00077661
-0.00131144 -0.00770312 -0.00320442
-9.86848398 6.47329542 -5.24308261
-0.00006908 0.00094399 0.00059121
0.00871304 0.00837299 -0.01871513
-7.61266893 -1.99726774 18.02685706
-0.00025960 0.00023420 -0.00034315
-0.00315690 0.05789371 -0.00147597
-7.21791676 -4.19731152 19.77265154
0.00054866 -0.00021423 0.00068567
-0.00169316 -0.00597344 0.01248497
-24.82816539 -6.41208164 -23.37176857
0.00034250 0.00035294 -0.00054712
0.01802577 0.00783775 -0.00429570
-21.76306268 -6.75256344 -23.61322937
0.00048972 -0.00079423 -0.00076467
-0.02209092 0.00906195 0.00061378
8.63931268 13.10768726 4.69068170
0.00013962 -0.00012979 -0.00014121
-0.00001336 -0.00256757 0.04596375
9.39151869 11.74635186 7.44206122
0.00045078 0.00096553 -0.00119758
0.00436893 -0.00277280 -0.00038030
24.06580680 27.34145201 -2.51581210
0.00091297 0.00004895 -0.00014752
-0.02216463 0.01757023 -0.00627115
22.96183275 30.01442455 -1.66492009
-0.00078632 -0.00065591 0.00107411
-0.00383668 -0.00511149 0.00126779
10.93582686 -0.83957383 -14.43752268
-0.00041846 0.00070528 0.00033595
0.03394012 -0.00465186 0.00719903
8.28427530 -1.47616142 -14.68303899
0.00029676 0.00030764 -0.00015315
0.00171647 0.00771039 0.00802518
-9.76060447 -1.15693096 14.26995875
-0.00011177 -0.00133781 0.00009874
0.00769421 0.00211574 -0.01462574
-9.40391176 -2.68643577 11.80920921
-0.00007019 -0.00035917 0.00131053
-0.00441505 -0.02536548 -0.01045935
-3.14701872 -26.42792915 11.92813955
-0.00048805 -0.00016375 -0.00040304
-0.00835858 -0.00858509 0.02994144
-3.38118215 -25.75308732 9.18629946
-0.00008652 0.00020853 0.00035758
0.01282734 0.00226666 -0.00153421
-14.76132427 -2.49920350 -6.35712630
-0.00037063 0.00054973 -0.00040920
-0.00556349 -0.01072176 -0.01309607
-16.10546303 -3.69486820 -8.79900042
0.00033528 -0.00055388 -0.00024925
-0.00112940 0.00328510 0.00547757
-18.93758298 -9.41972182 -19.18093565
0.00021013 0.00008347 -0.00083380
-0.01708336 -0.02465762 0.02923597
-18.19878985 -12.13637801 -18.99925523
0.00011032 0.00050979 -0.00049204
0.00351996 -0.01906080 0.00312239
22.63049921 5.86532248 3.67826685
-0.00046620 0.00098671 0.00087146
-0.00880637 0.01409960 0.00746102
20.22057374 6.72842095 5.53635139
0.00036238 0.00086504 -0.00017572
0.02292730 -0.01065722 -0.02030936
18.30243068 -10.85403751 -11.81063457
0.00049700 -0.00037502 0.00066859
0.02423391 -0.02391461 -0.03613857
18.61654368 -10.67052772 -14.73250729
0.00125636 -0.00020088 0.00002119
0.00693676 -0.00462671 0.00666546
-1.81494760 0.80187660 -6.96043034
0.00044795 -0.00128959 0.00103152
0.00250961 0.01997700 -0.00363612
-4.75542458 0.46987968 -6.17290890
-0.00007060 0.00073162 -0.00014869
0.00464952 0.01089297 0.00105608
-2.99435959 -4.48214385 -18.55742054
-0.00032081 -0.00048312 -0.00101949
0.00005119 -0.00110660 -0.00151795
-3.65573880 -1.58655136 -18.57218012
-0.00017690 0.00003593 0.00049609
-0.00071204 -0.01140920 0.00736941
13.82168844 17.71450636 -20.09416053
0.00010015 0.00029593 -0.00125553
0.00378160 0.00312939 0.00439948
12.53841766 15.85249271 -21.85334537
-0.00024627 0.00061328 0.00110224
0.01629879 0.00086690 0.00710415
-13.92143449 17.16650407 -11.75451151
-0.00049165 -0.00010183 -0.00044773
0.01775387 -0.01053365 0.03278874
-14.65649923 16.00109171 -14.32274086
0.00023681 -0.00036981 -0.00104153
0.00589798 0.00209137 0.00901826
2.01136209 15.72297305 6.34509732
0.00026943 0.00029791 -0.00002113
-0.01160603 0.01395287 -0.00763779
0.02102710 15.83809029 8.80819318
0.00078635 -0.00009884 -0.00134171
-0.00128658 0.01304879 -0.01473378
-4.85326464 -8.11016010 2.58078385
0.00144895 0.00065114 -0.00051471
-0.01810742 0.01535810 -0.00847998
-3.23318105 -10.28572615 3.08374165
0.00053639 -0.00072980 -0.00042928
0.01666363 -0.01640845 -0.01007358
1.28869341 -3.93265655 3.19744778
-0.00011202 -0.00044283 0.00034555
-0.02648132 0.06293470 0.03036556
3.19516221 -4.49293207 1.07892878
0.00119478 0.00045096 -0.00084319
0.01471186 0.01770000 -0.01680944
8.10702769 7.83185166 3.54210662
0.00004937 -0.00047340 0.00017783
0.03795813 -0.02033402 0.01514582
11.25908184 7.91414174 3.72464258
-0.00003871 -0.00016113 -0.00055080
-0.01901808 -0.00718191 0.01232157
-7.81797880 -11.23216026 -2.38533441
-0.00041400 -0.00026558 0.00027231
0.03529416 -0.03783995 0.01873301
-10.41674399 -9.94741167 -1.24361219
-0.00015819 -0.00002619 0.00046993
0.02094421 -0.00403668 -0.00854841
5.22825635 -15.90089874 -12.69447246
0.00005407 -0.00091995 -0.00146277
0.00559627 0.00259573 -0.01830309
2.73257977 -16.57024833 -11.67109998
-0.00019216 0.00144596 -0.00079842
-0.00290352 0.01391928 -0.02505899
4.78822378 -4.86291800 -4.48775143
-0.00113115 0.00056529 0.00018425
-0.00099498 0.01003642 -0.01930128
5.23474075 -6.68004544 -2.45841911
0.00051633 -0.00030702 0.00078182
-0.02842418 0.01152042 -0.00393657
16.71302539 2.63204513 24.30974068
0.00003657 0.00009643 0.00095295
-0.00111091 -0.00149454 0.00145239
19.42170896 3.10348755 25.55164545
-0.00024958 0.00042291 -0.00041266
-0.01168664 -0.00500769 -0.01386532
-9.65717687 0.88456692 1.49513821
0.00021251 -0.00049355 -0.00031245
0.00741449 -0.00146959 -0.00852539
-10.00765268 3.33689295 2.71853271
-0.00000730 -0.00011643 0.00025488
0.00171962 0.01671723 0.00129995
-5.01771615 13.57597825 -8.56892578
-0.00009119 0.00018100 0.00007539
0.00304740 0.00865258 -0.00263045
-7.54935940 12.33173870 -8.92435981
-0.00004826 -0.00032478 -0.00040491
-0.02301352 -0.00778253 0.00384305
1.37648743 11.85038317 -6.51225951
0.00054926 -0.00063562 -0.00040638
-0.01247781 -0.01718946 -0.00977542
1.91349490 14.39032735 -6.22617585
0.00069383 0.00049517 0.00004505
0.01238993 0.03151528 0.01092562
-10.69566225 8.31019017 -13.08669818
-0.00006843 -0.00078220 -0.00060532
-0.00526163 0.02219234 0.01752045
-11.81814495 10.02906019 -10.86369969
0.00051613 0.00033430 0.00029174
-0.00695541 -0.00712285 0.01229612
7.69308557 5.28647065 13.36902351
-0.00078919 -0.00033823 0.00109433
-0.02030916 0.00358335 -0.00372769
9.68021462 3.90688944 14.45465078
0.00001905 -0.00051588 0.00023336
-0.00694242 -0.01068685 0.00842298
-14.21498749 10.98236382 -7.14960025
0.00001716 0.00180528 -0.00032526
0.01016946 0.00500863 -0.00649891
-16.94432837 10.80661723 -7.93780291
0.00027412 -0.00034056 -0.00001479
-0.00535469 0.00035920 -0.00334382
9.25218501 9.27098261 -2.28554923
0.00033012 0.00069482 -0.00049313
-0.00151899 0.01418285 -0.00793398
7.70851704 7.99625679 -4.64858621
0.00022299 0.00018458 0.00094586
0.00997954 0.01171151 0.01377086
14.48186519 -19.00880548 -27.42524856
-0.00005138 -0.00059335 0.00014029
-0.00291084 -0.01637320 0.00181317
13.41650975 -20.28401564 -25.09587006
0.00002959 0.00025189 0.00079866
0.00437612 -0.00313925 0.00247840
4.91416082 5.02906947 2.16230652
-0.00000246 -0.00006711 -0.00069711
0.01409495 0.02725920 -0.01296569
5.55896073 7.04268807 -0.11778007
-0.00075162 -0.00037795 0.00080442
-0.00226032 -0.01022407 0.02782433
19.92952559 -6.02558996 -6.90721944
0.00046298 0.00182106 -0.00036154
0.02143264 -0.00325929 0.01437976
17.18203164 -5.02484365 -6.20835802
-0.00114146 0.00048543 0.00004665
0.01239241 -0.00678350 -0.01211539
-2.59611197 -0.79586586 -0.98607092
-0.00018177 0.00068893 0.00031502
-0.00154801 0.00594104 -0.00595054
-2.11271334 -1.62477478 -3.81465534
-0.00038576 -0.00043788 -0.00083751
-0.00993246 0.01149442 -0.00732605
3.92065725 -3.41042028 -12.34896817
-0.00022739 -0.00026059 -0.00057937
0.02753526 -0.03580760 -0.00665541
1.09473623 -2.82150261 -11.80623779
0.00001801 -0.00043636 -0.00002149
0.00349112 0.00027701 0.00008286
19.79941271 8.54357619 -7.87299955
0.00037968 0.00033580 -0.00048727
-0.00178289 0.00465279 0.02109697
20.97390063 8.16656100 -5.16442929
0.00071173 -0.00092944 0.00011930
-0.02069120 0.01628776 -0.01782191
-7.03854071 3.83902020 8.89145146
-0.00049838 0.00061574 -0.00038822
-0.01454005 0.03985180 0.00103150
-7.09722020 6.53386115 10.34985023
0.00113214 -0.00058521 -0.00039112
-0.00309951 -0.00381609 -0.00197233
-2.09063236 -17.86808939 11.59905485
0.00061356 0.00007352 -0.00020285
0.00206018 -0.00280380 0.00066815
-2.79679681 -15.59301177 9.98309468
-0.00015776 -0.00073265 -0.00031887
-0.00457400 0.00597973 -0.00596064
8.39647030 -0.52441520 -3.13180252
-0.00006281 0.00083700 -0.00085699
0.03134113 -0.00303756 0.05539087
7.56196328 1.33216793 -5.25409609
0.00035630 0.00068559 0.00006871
0.00469029 -0.01278792 -0.00204031
0.34830052 -11.86592701 1.87784998
0.00005818 -0.00020949 0.00035578
-0.00213713 -0.00435591 0.00228911
-0.98211765 -10.58918289 -0.27666013
-0.00066924 0.00015441 0.00021329
-0.00872808 0.00506152 -0.00540310
-19.49734861 -1.38232646 6.85488934
0.00072453 0.00101377 -0.00031409
0.01047884 -0.01002093 0.02364020
-21.33486589 0.48942736 5.95789164
-0.00075958 0.00057558 0.00034356
0.01155457 -0.00462402 -0.01363539
-5.08104981 8.12105082 -26.29782519
-0.00020780 0.00015176 -0.00160061
0.01791921 0.01106363 -0.04403255
-5.21624638 7.56859300 -23.76615373
0.00045469 0.00040942 0.00016041
-0.03224730 0.00277603 -0.00184829
4.19609354 1.69634854 -2.43456270
0.00022758 0.00025785 0.00032789
-0.01542297 0.01238548 0.00492020
2.15280307 0.24354085 -1.43432562
-0.00007338 -0.00040010 -0.00003434
-0.02526498 -0.02202180 0.00840633
14.93343315 7.57163940 5.81057507
0.00027230 0.00082118 0.00023686
-0.00272219 -0.01062064 0.01541761
15.53467738 9.76800774 4.13287499
-0.00099985 -0.00068620 0.00013075
0.01866534 0.04279660 -0.00370630
1.54653293 -11.76209471 -13.90905198
0.00016398 0.00006361 -0.00014483
0.00680299 0.00636188 0.00298810
-13.56701321 14.64467550 22.76709803
-0.00002169 0.00013383 0.00014782
-0.00446896 -0.00109495 -0.00284752
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02450406
0.33312208
443.86846783
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553779070
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3661545160 (a.u.)
total exchange computation time: 2.6566159725 s
-154.0963028535
-931.35678391
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553779070
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3655912864 (a.u.)
total exchange computation time: 2.6528241634 s
-154.1021715930
Anderson extrapolation: theta=1.3526512439 (1.3526512439)
-931.35703542
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553779070
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3647358583 (a.u.)
total exchange computation time: 2.6535360813 s
-154.1106637947
Anderson extrapolation: theta=0.0538390541 (0.0538390541)
-931.35718689
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553779070
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3646149926 (a.u.)
total exchange computation time: 2.6584289074 s
-154.1116247774
Anderson extrapolation: theta=1.9617745328 (1.9617745328)
-931.35719303
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553779070
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3643558273 (a.u.)
total exchange computation time: 2.6527578831 s
-154.1136128229
Anderson extrapolation: theta=0.2266277377 (0.2266277377)
-931.35719997
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553779070
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3642924766 (a.u.)
total exchange computation time: 2.6525669098 s
-154.1140404207
Anderson extrapolation: theta=1.8499012325 (1.8499012325)
-931.35720146
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553779070
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3641965823 (a.u.)
total exchange computation time: 2.6538829803 s
-154.1146246885
Anderson extrapolation: theta=0.2873935247 (0.2873935247)
-931.35720345
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553779070
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3641906218 (a.u.)
total exchange computation time: 2.6525950432 s
-154.1145946229
Anderson extrapolation: theta=1.3178725553 (1.3178725553)
-931.35720398
-22.377097 -171.528019 -244.196234
-137.293401 457.799252 -805.140319
-159.670498 286.271233 -1049.336553
1099.342116
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553779070
ExchangeOperator: pair fraction: ispin=0: 0.1315954570
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3641986253 (a.u.)
total exchange computation time: 2.6532630920 s
678.84905956
-1083.89127324
89.73452051
-388.91188136
-174.77343132
78.36661748
551.60419304
0.00000000
-931.35720448
-9.21171254 -5.34508702 9.74454085
0.00018622 -0.00007269 0.00023306
0.02157517 -0.02074243 0.01120825
-13.79604861 5.03256563 8.94659952
0.00011802 -0.00010081 -0.00012321
-0.00275686 0.00003957 0.00391340
-15.83122942 1.55776852 2.95430516
-0.00021802 -0.00016035 0.00015689
0.01106484 0.00336111 0.01232447
2.40378320 -19.66594008 13.33265073
-0.00027388 0.00017721 0.00010620
0.01766499 -0.03015339 0.03778296
9.80577118 20.81749158 0.45216217
0.00034106 0.00004782 -0.00019317
0.01145173 -0.03372521 -0.02533055
-11.19392708 12.79327047 15.19787922
-0.00019184 0.00012746 0.00011705
0.00944816 -0.04735443 0.00394238
-6.00820411 1.11374133 -12.92408754
0.00013588 -0.00024870 0.00008979
0.01863621 0.01515807 -0.02376149
-8.90897579 6.69369180 -6.84240473
0.00017642 0.00025382 -0.00000846
-0.02012215 -0.00676279 0.01310361
-7.44737656 -3.72173544 18.03825078
0.00033484 -0.00015661 -0.00013056
0.00588402 -0.05645039 -0.00764398
-23.42829370 -7.57432102 -23.55016581
-0.00034734 -0.00011323 -0.00035053
0.00771701 -0.01441638 -0.00500796
8.45618445 13.11368900 6.62601076
0.00043869 0.00033956 0.00030462
-0.00934380 0.01780665 -0.05301066
23.13436509 28.86609044 -3.09559596
-0.00033069 -0.00044351 0.00029537
0.01539787 -0.00383743 0.00740267
9.40715336 0.01802103 -14.62682951
0.00036439 0.00023951 -0.00010321
-0.04410949 0.00309644 -0.01800889
-9.08697278 -1.08955758 12.54320203
-0.00015652 -0.00010956 -0.00048196
-0.00516237 0.02329481 0.03411137
-2.13548849 -25.92287749 10.53300767
-0.00007557 0.00002252 0.00008216
0.00256964 0.00495591 -0.03699117
-15.24634979 -4.10877215 -7.25373202
-0.00018600 0.00002454 -0.00023038
0.00377966 -0.01161136 -0.00416319
-19.42770926 -11.03091788 -18.22977102
-0.00007853 -0.00015337 0.00010943
0.01786811 0.04562868 -0.03508669
21.16580595 5.37948157 4.66515555
-0.00043082 0.00017474 0.00007140
-0.01277589 -0.00119927 0.01662216
19.41297864 -11.59112110 -13.32460944
0.00062392 0.00025428 0.00014704
-0.03968885 0.02584501 0.02713477
-3.16894005 -0.31235740 -6.56928023
-0.00031433 -0.00016462 0.00012101
-0.00344124 -0.02632206 -0.00307500
-3.76729894 -3.17247958 -17.57542977
0.00029760 0.00015019 -0.00009804
0.00027236 0.01370561 -0.00406302
14.24535973 16.41348176 -21.28848444
0.00013564 -0.00002346 -0.00012684
-0.01105483 -0.00434655 -0.01260013
-14.59227403 17.60322131 -13.32046607
0.00018577 0.00056068 -0.00006628
-0.02891145 -0.00106844 -0.04928087
1.43731267 15.09829993 7.92546588
-0.00037517 -0.00002438 -0.00032761
0.02042320 -0.03461128 0.01610168
-4.40950113 -9.21379891 3.91997724
0.00017212 0.00013406 -0.00002413
0.00309164 -0.00655681 0.01076660
2.10918946 -5.13998723 2.31548247
-0.00013886 0.00004251 0.00006037
0.02734381 -0.07735823 -0.02132438
9.67465986 7.15799858 4.44147774
-0.00007777 0.00019632 -0.00023250
-0.01091353 0.02077576 -0.02556356
-9.25266357 -10.27937848 -2.66152820
-0.00010099 -0.00027138 0.00029962
-0.06513820 0.04589529 -0.00232739
3.44804621 -15.60303938 -13.13297083
-0.00022610 -0.00013868 0.00008824
-0.00048154 -0.01324391 0.03261716
3.78021188 -5.69872651 -3.21952712
0.00015567 0.00002222 0.00037158
0.03113540 -0.02811333 0.02726109
18.39694546 1.92334141 24.49350632
-0.00004272 -0.00014688 -0.00019465
0.01268145 -0.00420347 0.00891769
-8.88209915 2.55309524 1.52356964
-0.00027262 -0.00035234 0.00003636
-0.01243541 -0.01260154 0.00310008
-6.00348694 12.61243288 -9.80028233
0.00046658 -0.00041591 0.00013499
0.00998652 -0.00227375 -0.00904922
1.61419962 13.28719566 -7.60033298
-0.00003374 0.00011838 0.00015536
0.00252190 -0.01416726 0.00269315
-11.09763180 10.05768202 -12.50473750
-0.00047619 -0.00001193 0.00008553
0.01699695 -0.01917578 -0.03118792
7.83738448 3.96204705 14.62155675
-0.00007305 -0.00027204 0.00003192
0.03146002 -0.00015701 0.00097229
-15.41706317 9.81600101 -7.88026421
0.00027704 0.00036768 0.00057686
0.00136962 -0.00179242 0.00755066
8.64483902 7.76039550 -3.06092420
-0.00048289 -0.00030292 -0.00015230
-0.00575189 -0.02328385 0.00575588
14.16980630 -20.71779111 -26.71154777
0.00001037 0.00007428 0.00007210
-0.00543955 0.02649884 0.00267105
5.09552769 6.87004653 1.71564961
0.00016237 -0.00029895 0.00029484
-0.00516175 -0.01238320 -0.01345362
18.27244997 -5.85736918 -7.53003959
-0.00014629 -0.00003420 0.00013393
-0.03450079 0.01265074 0.01359315
-1.94726221 -2.11199662 -2.06618291
-0.00005415 -0.00029003 0.00015316
0.00787698 -0.01021696 0.02259410
2.79194878 -2.10526596 -12.03345142
0.00006436 -0.00006301 0.00000612
-0.02962963 0.03259856 0.01180602
19.68386398 9.23740163 -6.12301155
0.00014927 -0.00024693 0.00024655
0.02882362 -0.03309375 -0.00406121
-7.63764660 5.74938600 8.78130010
-0.00021715 -0.00025409 -0.00043697
0.01696043 -0.02543397 0.00318345
-1.76665497 -16.09553327 11.38270786
0.00019758 -0.00009692 -0.00004591
-0.00034557 0.00204412 0.00568608
7.60247125 -0.43997924 -4.67516677
0.00008517 0.00014455 -0.00024076
-0.03086368 0.04565118 -0.04090578
-1.02424640 -12.18440345 0.67052883
-0.00012605 -0.00024555 0.00008673
0.00778498 0.00121514 0.00416018
-19.97297612 -0.58965643 5.30668220
-0.00004080 0.00038153 0.00010196
-0.02884457 0.02494153 -0.01487452
-6.44888554 7.94115468 -25.16047832
-0.00015556 0.00024149 -0.00014273
0.03815403 -0.01343858 0.05874446
2.43360795 1.95899343 -1.84489931
-0.00043767 0.00010998 -0.00012270
0.04728057 -0.00052837 -0.01397674
14.69151935 8.23209178 4.13800623
-0.00026684 -0.00006147 0.00000428
-0.02230678 -0.03857980 -0.01202664
-8.20220614 -6.85920013 10.28610055
-0.00007266 0.00082299 -0.00024527
-0.01518482 0.02075505 -0.00914866
-10.22317300 -5.85726722 8.32786434
-0.00073964 0.00107372 0.00010113
-0.00216624 -0.00634750 -0.00140391
-13.09765650 6.01175940 7.53435140
-0.00006320 -0.00060831 -0.00079664
-0.00584922 -0.00964249 -0.00198495
-13.80287266 3.25267875 8.44545414
0.00065294 -0.00000524 0.00110890
0.00726044 0.00953175 0.00416876
-14.71428614 1.57956933 4.45086334
0.00043327 -0.00031686 -0.00110750
-0.01093975 0.00248760 -0.01044382
-17.39132021 0.78921197 3.58238815
0.00090592 0.00055355 0.00008421
-0.00192912 -0.00243562 0.00398864
2.65299844 -21.46473730 12.75872386
-0.00060575 -0.00129807 0.00030155
0.00024275 0.03051558 0.00496827
3.25261702 -19.59046563 15.06904128
0.00090909 -0.00076555 0.00063801
-0.02159900 -0.00132873 -0.04786020
9.18902222 19.01939020 0.21863282
-0.00002312 0.00005114 -0.00125898
0.00629703 0.03093517 0.01489250
8.68649751 21.83439942 1.45522415
0.00114084 -0.00010077 -0.00009305
-0.02255576 -0.00264755 0.00560057
-10.52519697 12.12698515 16.87934805
-0.00014775 -0.00027574 -0.00098320
-0.00350471 0.01803699 -0.01456060
-11.45770857 14.52336444 15.40909856
0.00082098 -0.00057693 0.00072635
-0.00512244 0.03378983 0.00586930
-5.99128290 -0.00316423 -14.34921937
-0.00002744 0.00069549 -0.00041346
0.00230682 -0.00205228 -0.00500224
-6.74244009 0.20547803 -11.56724474
-0.00157967 0.00049654 0.00069398
-0.01753490 -0.01268483 0.02562308
-8.09266853 8.30287478 -6.56229101
0.00069558 -0.00006664 -0.00078888
-0.00093515 -0.00662668 -0.00280275
-9.86925321 6.48771189 -5.23478800
-0.00002963 0.00097881 0.00050891
0.01059794 0.00867161 -0.02156831
-7.61665972 -1.99198077 18.02166456
-0.00027148 0.00045903 -0.00034847
-0.00265822 0.05216530 -0.00112852
-7.20973875 -4.20070806 19.78331924
0.00053988 -0.00023475 0.00072404
-0.00260671 -0.00406977 0.00629702
-24.82247551 -6.40654735 -23.38010695
0.00041307 0.00038789 -0.00056443
0.01652042 0.00927118 -0.00417972
-21.75639379 -6.76419922 -23.62468058
0.00039397 -0.00075923 -0.00076188
-0.02478031 0.00807175 0.00075219
8.64140663 13.10566175 4.68997209
0.00013869 -0.00013848 0.00004947
-0.00044566 -0.00168740 0.04737569
9.39841420 11.76074990 7.42408593
0.00047583 0.00094280 -0.00119002
0.00789557 -0.00835614 0.00407762
24.07882210 27.34272471 -2.51821707
0.00082124 0.00012073 -0.00017343
-0.02273556 0.01756721 -0.00641289
22.94992043 30.00442931 -1.64876959
-0.00080150 -0.00068059 0.00107318
-0.00359339 -0.00696984 -0.00172166
10.93058998 -0.82913721 -14.43226283
-0.00026572 0.00067872 0.00036763
0.04082831 -0.00834595 0.00830939
8.28877936 -1.47131053 -14.68509037
0.00030354 0.00033910 -0.00012021
0.00160073 0.00768904 0.00810046
-9.76204525 -1.17693323 14.27099164
-0.00007696 -0.00132520 0.00003313
0.00934660 0.00405744 -0.01748780
-9.40509986 -2.69260055 11.82854669
-0.00008806 -0.00047013 0.00126087
-0.00433144 -0.02895228 -0.01384892
-3.15459558 -26.43064850 11.92301146
-0.00052187 -0.00019920 -0.00027973
-0.00819511 -0.00876471 0.03042145
-3.38208683 -25.74988987 9.19161617
-0.00003545 0.00021852 0.00034850
0.01217031 0.00262030 -0.00291345
-14.76705418 -2.49128611 -6.36366557
-0.00039388 0.00050262 -0.00046388
-0.00581892 -0.01233758 -0.01367034
-16.10046849 -3.70307568 -8.80257136
0.00032776 -0.00053908 -0.00023218
-0.00254827 0.00395671 0.00288179
-18.93495457 -9.41922538 -19.19254675
0.00013740 -0.00002124 -0.00071002
-0.01851548 -0.02659575 0.03135214
-18.19702720 -12.12931522 -19.00654018
0.00012448 0.00043033 -0.00047824
0.00341021 -0.01983536 0.00363293
22.62323638 5.88055522 3.69156744
-0.00049810 0.00104296 0.00089899
-0.00681178 0.01343590 0.00601395
20.22671205 6.74107006 5.53309322
0.00045363 0.00082052 -0.00025698
0.02173885 -0.01113589 -0.01946912
18.31062835 -10.86039568 -11.80171314
0.00059584 -0.00047133 0.00051863
0.02414755 -0.02322965 -0.03726820
18.63560157 -10.67368264 -14.73198517
0.00128125 -0.00021602 0.00004555
0.00524972 -0.00278476 0.00525729
-1.80815143 0.78314487 -6.94506893
0.00046228 -0.00120417 0.00101535
0.00450187 0.02183854 -0.00428258
-4.75634109 0.48118777 -6.17510692
-0.00004938 0.00077509 -0.00014436
0.00573547 0.01038395 0.00106336
-2.99917012 -4.48942452 -18.57275933
-0.00032532 -0.00047840 -0.00101969
-0.00225974 0.00341814 0.00141545
-3.65841407 -1.58636204 -18.56451287
-0.00017872 -0.00000655 0.00052222
-0.00018042 -0.00938662 0.00541962
13.82330662 17.71904119 -20.11285863
0.00011585 0.00031568 -0.00123105
0.00390148 0.00653811 0.00758208
12.53522303 15.86171850 -21.83659403
-0.00018166 0.00061363 0.00112800
0.01532901 -0.00069734 0.00550431
-13.92826526 17.16465382 -11.76022265
-0.00041654 -0.00014703 -0.00030679
0.01901540 -0.01159392 0.03620019
-14.65276633 15.99560859 -14.33808748
0.00026169 -0.00034893 -0.00099630
0.00628256 0.00813373 0.01312071
2.01504793 15.72786920 6.34454628
0.00022222 0.00035418 -0.00005122
-0.01150403 0.01359481 -0.00708930
0.03278294 15.83700752 8.78761599
0.00076363 -0.00003669 -0.00139068
-0.00983442 0.01737685 -0.00923792
-4.83208530 -8.09992233 2.57280328
0.00137709 0.00070914 -0.00054396
-0.01706757 0.01302911 -0.00583349
-3.22462451 -10.29717589 3.07699377
0.00059340 -0.00078749 -0.00046297
0.01124112 -0.01183384 -0.00641590
1.28620171 -3.93737047 3.20356148
-0.00022066 -0.00018336 0.00047028
-0.02670020 0.06407873 0.03069283
3.21353468 -4.48562521 1.06576583
0.00123513 0.00051287 -0.00088965
0.00504287 0.01260245 -0.00593211
8.10893134 7.82412760 3.54523825
0.00019969 -0.00055371 0.00023624
0.03562571 -0.01898089 0.01344471
11.25791844 7.91150464 3.71675814
-0.00011636 -0.00019013 -0.00050042
-0.01899066 -0.00701258 0.01234216
-7.82310733 -11.23730356 -2.38067572
-0.00026663 -0.00042232 0.00034953
0.03684856 -0.03888441 0.01906589
-10.41847508 -9.94792827 -1.23682519
-0.00007074 -0.00004305 0.00043289
0.02186579 -0.00421498 -0.00958323
5.22923882 -15.91461848 -12.71697481
0.00007585 -0.00090988 -0.00153602
0.00506551 0.00233382 -0.01755725
2.72960838 -16.54813240 -11.68384421
-0.00020993 0.00149276 -0.00088603
-0.00579442 0.00898801 -0.01782764
4.77122598 -4.85413116 -4.48557907
-0.00113118 0.00060674 0.00010394
0.00098435 0.01025632 -0.02001276
5.24161468 -6.68429775 -2.44681244
0.00039670 -0.00025535 0.00076105
-0.03013506 0.01377523 -0.00623253
16.71353994 2.63344581 24.32407942
0.00003028 0.00008974 0.00095729
-0.00196829 -0.00177891 0.00067448
19.41760708 3.10967780 25.54503063
-0.00029647 0.00040052 -0.00046974
-0.01126664 -0.00595574 -0.01407291
-9.65376202 0.87711865 1.49019023
0.00024166 -0.00049936 -0.00034617
0.00685304 -0.00137736 -0.00798350
-10.00770943 3.33565875 2.72239568
0.00000024 -0.00005037 0.00025885
0.00196747 0.01562129 0.00064447
-5.01899056 13.57895844 -8.56787558
-0.00007809 0.00021642 0.00006548
0.00336321 0.00868423 -0.00221779
-7.55078847 12.32662845 -8.93031570
-0.00013849 -0.00035581 -0.00039116
-0.02115338 -0.00740487 0.00288900
1.38434403 11.84032208 -6.51865470
0.00049901 -0.00070059 -0.00044682
-0.01211966 -0.01461117 -0.01002038
1.92428202 14.39872067 -6.22516526
0.00074271 0.00061741 0.00008593
0.01153464 0.02832004 0.00908590
-10.69684989 8.29913724 -13.09524108
-0.00009293 -0.00068052 -0.00052836
-0.00673215 0.02758054 0.02015337
-11.81061613 10.03385649 -10.85894682
0.00048653 0.00030388 0.00034483
-0.00753571 -0.00776952 0.01369187
7.68062538 5.28150702 13.38532422
-0.00087184 -0.00031563 0.00107214
-0.02015024 0.00747944 -0.00713291
9.68028764 3.89882369 14.45840933
-0.00001117 -0.00055818 0.00026661
-0.00785271 -0.01001474 0.00784978
-14.21441854 11.00959642 -7.15467828
0.00005530 0.00182098 -0.00035375
0.00850050 0.00267669 -0.00744946
-16.94038060 10.80151988 -7.93812727
0.00024720 -0.00033643 -0.00002881
-0.00782388 0.00166129 -0.00352010
9.25709023 9.28183958 -2.29318929
0.00031903 0.00073787 -0.00053176
-0.00391029 0.00688976 -0.01097591
7.71216775 7.99938438 -4.63397638
0.00025472 0.00023380 0.00098632
0.00555147 0.01238264 0.00603455
14.48100524 -19.01820742 -27.42308859
-0.00006212 -0.00065199 0.00014467
-0.00234281 -0.01233119 0.00032710
13.41708775 -20.28033354 -25.08381425
0.00005176 0.00023707 0.00079975
0.00647382 -0.00411307 -0.00194440
4.91455587 5.02889807 2.15145256
0.00005395 0.00003912 -0.00074668
0.01351747 0.02474062 -0.01129878
5.54761717 7.03670559 -0.10486119
-0.00075816 -0.00041745 0.00090885
-0.00094277 -0.00911341 0.02329616
19.93712708 -5.99837394 -6.91220193
0.00054507 0.00180886 -0.00030410
0.01874958 -0.00271181 0.01373874
17.16528956 -5.01777002 -6.20802959
-0.00108547 0.00045454 -0.00000667
0.01501196 -0.00834013 -0.01398072
-2.59888600 -0.78534990 -0.98152799
-0.00018348 0.00070371 0.00028274
0.00071186 0.00129366 -0.00984959
-2.11880415 -1.63099081 -3.82744242
-0.00042575 -0.00039417 -0.00085362
-0.00964102 0.00990270 -0.00056224
3.91809014 -3.41542635 -12.35786273
-0.00011620 -0.00040428 -0.00060616
0.02689406 -0.03452891 -0.00645561
1.09511330 -2.82803959 -11.80655764
0.00003388 -0.00043344 -0.00002157
0.00427894 0.00115403 -0.00012114
19.80505329 8.54875576 -7.87966208
0.00037194 0.00035626 -0.00039557
-0.00200533 0.00536513 0.02378818
20.98394254 8.15311856 -5.16318588
0.00062311 -0.00085950 0.00004405
-0.02268934 0.01794651 -0.01901423
-7.04646194 3.84947744 8.88565983
-0.00055563 0.00077135 -0.00038481
-0.01348634 0.03632205 0.00063616
-7.08033313 6.52496610 10.34392299
0.00111729 -0.00060160 -0.00040302
-0.00416782 -0.00420777 -0.00385383
-2.08136584 -17.86707254 11.59603260
0.00062183 0.00005742 -0.00019871
0.00198684 -0.00507607 0.00135822
-2.79930337 -15.60381835 9.97812901
-0.00017344 -0.00070872 -0.00033997
-0.00310367 0.00573567 -0.00436864
8.39648861 -0.51195331 -3.14296008
0.00007052 0.00082284 -0.00062064
0.03392048 -0.00389368 0.06030800
7.56745148 1.34205989 -5.25312798
0.00037441 0.00062849 0.00006015
0.00417307 -0.01516336 -0.00215093
0.34910773 -11.86920284 1.88325685
0.00004645 -0.00022732 0.00036190
-0.00360349 -0.00437448 0.00070774
-0.99242364 -10.58671163 -0.27362631
-0.00070427 0.00017220 0.00019286
-0.00842212 0.00364779 -0.00459878
-19.48615959 -1.36742695 6.85090242
0.00076809 0.00097077 -0.00021238
0.01084605 -0.01102885 0.02614729
-21.34590556 0.49791942 5.96262728
-0.00070490 0.00055037 0.00028516
0.01521171 -0.00771727 -0.01495403
-5.08361767 8.12366631 -26.32318356
-0.00014554 0.00019472 -0.00176725
0.01255682 0.00996192 -0.03754306
-5.21041413 7.57481934 -23.76380421
0.00031994 0.00042255 0.00014538
-0.03371715 0.00365172 -0.00550696
4.19903457 1.70059575 -2.42949357
0.00015898 0.00030882 0.00034960
-0.01815642 0.01256929 0.00570602
2.15092814 0.23686447 -1.43458307
-0.00017492 -0.00048168 -0.00000212
-0.02443894 -0.01791046 0.00736201
14.93743418 7.58363157 5.81460044
0.00026011 0.00077606 0.00029933
-0.00324091 -0.01146462 0.01516257
15.52025162 9.75902614 4.13472270
-0.00091577 -0.00049537 0.00011364
0.02249280 0.05061713 -0.00466990
1.54901083 -11.76112351 -13.91121634
0.00016644 0.00006589 -0.00014372
0.00694891 0.00636175 0.00315988
-13.56734641 14.64668100 22.76931044
-0.00002275 0.00013358 0.00014717
-0.00462171 -0.00103141 -0.00277680
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02441865
0.33278583
443.42043299
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1310762574
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3615583247 (a.u.)
total exchange computation time: 2.6614861488 s
-154.0778958399
-931.35669680
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1310762574
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3610165140 (a.u.)
total exchange computation time: 2.6622970104 s
-154.0835687771
Anderson extrapolation: theta=1.3651015322 (1.3651015322)
-931.35696205
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1310762574
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3601848598 (a.u.)
total exchange computation time: 2.6616499424 s
-154.0918469691
Anderson extrapolation: theta=0.0578000690 (0.0578000690)
-931.35712487
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1310762574
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3600645356 (a.u.)
total exchange computation time: 2.6637368202 s
-154.0928079246
Anderson extrapolation: theta=2.0531365147 (2.0000000000)
-931.35713225
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1310762574
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3598065637 (a.u.)
total exchange computation time: 2.6617579460 s
-154.0947965021
Anderson extrapolation: theta=0.2617636609 (0.2617636609)
-931.35714115
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1310762574
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3597408956 (a.u.)
total exchange computation time: 2.6619060040 s
-154.0952470415
Anderson extrapolation: theta=1.6465370998 (1.6465370998)
-931.35714321
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1310762574
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3596591992 (a.u.)
total exchange computation time: 2.6634840965 s
-154.0957474320
Anderson extrapolation: theta=0.3264460056 (0.3264460056)
-931.35714567
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1310762574
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3596589622 (a.u.)
total exchange computation time: 2.6620380878 s
-154.0956818980
Anderson extrapolation: theta=1.1841705360 (1.1841705360)
-931.35714635
-22.332288 -171.471251 -244.248495
-137.262703 457.814285 -805.184688
-159.594991 286.343034 -1049.433183
1099.442086
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0552325581
ExchangeOperator: pair fraction: ispin=0: 0.1310762574
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3596780675 (a.u.)
total exchange computation time: 2.6372110844 s
678.77823805
-1083.74405425
89.74458862
-389.01413221
-174.76210903
78.28399460
551.60419304
0.00000000
-931.35714689
-9.20883601 -5.34625737 9.74807996
0.00019608 -0.00008206 0.00023797
0.01677395 -0.01569132 0.00788679
-13.79428899 5.03105361 8.94476647
0.00011664 -0.00009986 -0.00012126
-0.00259282 0.00364360 0.00368583
-15.83445710 1.55537628 2.95670605
-0.00021092 -0.00015774 0.00016153
0.01654893 0.00677315 0.00571373
2.39974319 -19.66339817 13.33438954
-0.00026398 0.00015984 0.00012621
0.02083889 -0.03739305 0.04002345
9.81093129 20.81807883 0.44916686
0.00034756 0.00002978 -0.00020689
0.01382404 -0.03644409 -0.02800253
-11.19676831 12.79499975 15.19965012
-0.00018709 0.00010184 0.00011803
0.00906176 -0.05229886 -0.00010056
-6.00609406 1.11006930 -12.92283231
0.00014483 -0.00024121 0.00007927
0.01616282 0.01397542 -0.01714412
-8.90640712 6.69747301 -6.84248109
0.00016556 0.00024998 -0.00000129
-0.02210549 -0.00817876 0.01476219
-7.44233125 -3.72430228 18.03626286
0.00033789 -0.00018408 -0.00013309
0.00596938 -0.05037168 -0.00218054
-23.43347405 -7.57607507 -23.55544310
-0.00034235 -0.00012084 -0.00035311
0.01168463 -0.01516552 -0.00500169
8.46272871 13.11885111 6.63037561
0.00043294 0.00034999 0.00027611
-0.01299951 0.02273099 -0.05784638
23.12946413 28.85942301 -3.09113692
-0.00032286 -0.00044481 0.00029984
0.01503301 -0.00121456 0.01000054
9.41244901 0.02162570 -14.62844716
0.00034040 0.00024194 -0.00011272
-0.04917585 0.00632151 -0.01896761
-9.08934048 -1.09111119 12.53610423
-0.00015964 -0.00009740 -0.00046314
-0.00699118 0.02402598 0.03905781
-2.13661217 -25.92252056 10.53409741
-0.00007421 0.00002497 0.00006366
0.00272411 0.00456451 -0.03496852
-15.24912522 -4.10844890 -7.25720381
-0.00018367 0.00001876 -0.00023173
0.00526744 -0.01086300 -0.00106401
-19.42881836 -11.03304237 -18.22826492
-0.00006896 -0.00012949 0.00009081
0.01934822 0.04721301 -0.03731247
21.15929439 5.38209799 4.66629064
-0.00043748 0.00017430 0.00008002
-0.01313764 -0.00050654 0.01689697
19.42218432 -11.58720721 -13.32229911
0.00060396 0.00026688 0.00016156
-0.03792404 0.02314123 0.02929868
-3.17366822 -0.31492830 -6.56747696
-0.00031668 -0.00017834 0.00011954
-0.00571017 -0.02700672 -0.00264944
-3.76283391 -3.17017381 -17.57691610
0.00029819 0.00015549 -0.00010034
0.00203872 0.00690540 -0.00486991
14.24735162 16.41311309 -21.29043559
0.00013025 -0.00002606 -0.00013368
-0.00988903 -0.00575363 -0.01399696
-14.58959904 17.61162739 -13.32165041
0.00017072 0.00055877 -0.00009297
-0.02960826 -0.00637831 -0.05449861
1.43176390 15.09780074 7.92061391
-0.00036238 -0.00004324 -0.00032104
0.02930117 -0.03875043 0.00942398
-4.40690744 -9.21181332 3.91965683
0.00017480 0.00013012 -0.00002032
0.00735228 -0.00877127 0.00406568
2.10721206 -5.13964798 2.31630578
-0.00012291 0.00000435 0.00004723
0.03469308 -0.07104312 -0.02977702
9.67345128 7.16102353 4.43789161
-0.00008268 0.00020647 -0.00024502
-0.00818538 0.01869288 -0.02310295
-9.25442970 -10.28327209 -2.65704292
-0.00013446 -0.00024783 0.00029854
-0.06499520 0.04566414 -0.00185766
3.44465278 -15.60517066 -13.13152140
-0.00022522 -0.00014399 0.00010268
0.00390958 -0.00740931 0.02355047
3.78266702 -5.69850165 -3.21384822
0.00017160 0.00000733 0.00038616
0.03082057 -0.02977135 0.02942848
18.39635364 1.92112198 24.49062099
-0.00003618 -0.00014875 -0.00018990
0.01274776 -0.00306398 0.00955788
-8.88623640 2.54776146 1.52412696
-0.00027892 -0.00035851 0.00003803
-0.01206684 -0.01136894 0.00339501
-5.99644970 12.60618543 -9.79829240
0.00047112 -0.00041721 0.00013063
0.00765152 -0.00277781 -0.00789485
1.61370329 13.28891667 -7.59799213
-0.00003229 0.00011135 0.00015745
0.00309587 -0.01317369 0.00542489
-11.10470914 10.05742907 -12.50357490
-0.00046702 -0.00002281 0.00006875
0.01866401 -0.02313923 -0.03406832
7.83641015 3.95796580 14.62203937
-0.00005673 -0.00027323 0.00003341
0.03197883 -0.00446086 0.00480802
-15.41290231 9.82150928 -7.87158221
0.00027874 0.00036705 0.00058101
0.00525911 -0.00066226 0.00858983
8.63757351 7.75576193 -3.06318654
-0.00048391 -0.00031326 -0.00014649
0.00176439 -0.01693899 0.01683865
14.16994082 -20.71657475 -26.71045597
0.00000688 0.00008698 0.00007500
-0.00811899 0.02289217 0.00862447
5.09794327 6.86551453 1.72002026
0.00015952 -0.00030480 0.00028882
-0.00590629 -0.01036411 -0.00993509
18.27012259 -5.85783337 -7.52797815
-0.00016370 -0.00002751 0.00014155
-0.03322209 0.01334404 0.01604252
-1.94804412 -2.11638652 -2.06379840
-0.00005077 -0.00029374 0.00016402
0.00529457 -0.00421486 0.01963361
2.79279988 -2.10608532 -12.03331407
0.00004944 -0.00004712 0.00001215
-0.02839828 0.02916756 0.01164405
19.68621425 9.23357000 -6.11932899
0.00016448 -0.00026446 0.00024415
0.03031676 -0.03507862 -0.00527308
-7.64083839 5.74547649 8.77475781
-0.00020848 -0.00026592 -0.00043473
0.01672749 -0.02055892 0.00555281
-1.76369254 -16.09697920 11.38204118
0.00019705 -0.00009525 -0.00004362
-0.00173881 0.00446987 0.00322539
7.60362976 -0.43763497 -4.67893589
0.00006910 0.00016863 -0.00026231
-0.03163273 0.04802266 -0.04290694
-1.02610708 -12.18808204 0.67184581
-0.00012175 -0.00024449 0.00008901
0.00892350 0.00293061 0.00471577
-19.97369942 -0.58383732 5.30815416
-0.00005650 0.00039510 0.00009419
-0.03218743 0.02784589 -0.01532860
-6.45107172 7.94472514 -25.16239273
-0.00013412 0.00023470 -0.00011354
0.04521944 -0.01295411 0.05477890
2.42722526 1.96064113 -1.84679380
-0.00041303 0.00010840 -0.00012969
0.04854422 -0.00561608 -0.01319798
14.68743075 8.23102089 4.13802403
-0.00027884 -0.00008265 -0.00000155
-0.02437661 -0.04377412 -0.01062539
-8.20376141 -6.84621927 10.28214119
-0.00012911 0.00089696 -0.00028067
-0.01244846 0.01545104 -0.00818109
-10.23433391 -5.84135596 8.32933825
-0.00074449 0.00104792 0.00010011
-0.00021180 -0.00628217 0.00090598
-13.09878379 6.00233928 7.52234090
-0.00008770 -0.00064859 -0.00080261
-0.00614089 -0.01007449 -0.00093304
-13.79285605 3.25289229 8.46221533
0.00068227 0.00002734 0.00112352
0.00709415 0.00641257 0.00298823
-14.70812227 1.57489265 4.43393081
0.00039297 -0.00030630 -0.00114257
-0.00879037 0.00267936 -0.00672449
-17.37779045 0.79744064 3.58377352
0.00088289 0.00053623 0.00010636
-0.00934775 -0.00604495 0.00685318
2.64391955 -21.48327325 12.76339942
-0.00060652 -0.00116023 0.00032445
-0.00061706 0.03695663 0.00624134
3.26559152 -19.60198954 15.07714485
0.00081615 -0.00076968 0.00043533
-0.02389795 -0.00069597 -0.05135540
9.18886842 19.02110520 0.20020452
0.00000312 0.00017938 -0.00119675
0.00654569 0.03184280 0.01556910
8.70291898 21.83280681 1.45400005
0.00104335 -0.00010820 -0.00006624
-0.02516891 -0.00099401 0.00752380
-10.52752056 12.12340178 16.86415388
-0.00015972 -0.00020533 -0.00103567
-0.00235868 0.01643009 -0.01112275
-11.44555080 14.51574586 15.42017368
0.00079848 -0.00042522 0.00075186
-0.00589076 0.04047405 0.00661678
-5.99162386 0.00720528 -14.35557456
-0.00001898 0.00068375 -0.00043398
0.00183755 -0.00369389 -0.00504188
-6.76667252 0.21253739 -11.55604982
-0.00164530 0.00044985 0.00078533
-0.01458881 -0.01016939 0.01909074
-8.08226354 8.30167211 -6.57421014
0.00069263 -0.00009132 -0.00079955
-0.00050696 -0.00545282 -0.00242072
-9.86937292 6.50265981 -5.22781524
0.00001669 0.00101456 0.00041625
0.01207779 0.00882547 -0.02379171
-7.62081343 -1.98349678 18.01640290
-0.00028073 0.00065584 -0.00035224
-0.00186885 0.04417154 -0.00071497
-7.20172050 -4.20435402 19.79437286
0.00052736 -0.00024758 0.00073742
-0.00351991 -0.00220929 0.00025125
-24.81577316 -6.40044487 -23.38870149
0.00047714 0.00042879 -0.00058124
0.01483798 0.01074943 -0.00404955
-21.75124358 -6.77534031 -23.63608570
0.00028835 -0.00072794 -0.00075851
-0.02692346 0.00724451 0.00089785
8.64347326 13.10353284 4.69216595
0.00013612 -0.00014352 0.00024371
-0.00080898 -0.00077984 0.04770217
9.40579361 11.77463581 7.40636055
0.00051533 0.00089743 -0.00116450
0.01143748 -0.01385069 0.00841341
24.09044402 27.34507404 -2.52101507
0.00072788 0.00019146 -0.00019959
-0.02296720 0.01705470 -0.00639282
22.93778788 29.99400691 -1.63272460
-0.00081572 -0.00071253 0.00106024
-0.00336933 -0.00866606 -0.00461514
10.92785531 -0.81921209 -14.42649374
-0.00008784 0.00063861 0.00040360
0.04624599 -0.01128858 0.00929786
8.29338152 -1.46598841 -14.68664530
0.00030966 0.00037000 -0.00008702
0.00139284 0.00743530 0.00814392
-9.76291321 -1.19668683 14.27095276
-0.00003606 -0.00130455 -0.00004269
0.01067184 0.00604699 -0.01962640
-9.40655342 -2.70053971 11.84703543
-0.00010503 -0.00059328 0.00119858
-0.00397976 -0.03133155 -0.01664272
-3.16267468 -26.43390501 11.91974778
-0.00055377 -0.00023472 -0.00015640
-0.00742434 -0.00862517 0.02994640
-3.38224564 -25.74653184 9.19675433
0.00001243 0.00023000 0.00033349
0.01126917 0.00300302 -0.00443158
-14.77314071 -2.48412485 -6.37104265
-0.00041791 0.00044958 -0.00052043
-0.00594241 -0.01362471 -0.01401013
-16.09563012 -3.71104067 -8.80596568
0.00031442 -0.00052161 -0.00022582
-0.00398368 0.00459812 0.00023117
-18.93346090 -9.42035890 -19.20223639
0.00005953 -0.00013208 -0.00057876
-0.01960498 -0.02766464 0.03290401
-18.19505555 -12.12346808 -19.01360248
0.00013761 0.00034840 -0.00046206
0.00302089 -0.02027040 0.00428946
22.61555608 5.89661141 3.70523661
-0.00052174 0.00109635 0.00092054
-0.00475837 0.01269665 0.00453196
20.23418265 6.75303669 5.52864187
0.00053906 0.00077508 -0.00033402
0.02008140 -0.01111058 -0.01824214
18.32030593 -10.86817751 -11.79507574
0.00069361 -0.00056427 0.00036522
0.02371153 -0.02226146 -0.03782596
18.65498120 -10.67700823 -14.73114084
0.00129903 -0.00022337 0.00006362
0.00345424 -0.00081502 0.00358734
-1.80107935 0.76575154 -6.92996998
0.00048355 -0.00111236 0.00099694
0.00591021 0.02310274 -0.00472502
-4.75690611 0.49313226 -6.17723976
-0.00002366 0.00081628 -0.00014002
0.00685638 0.00978182 0.00106374
-3.00411914 -4.49649570 -18.58801138
-0.00033891 -0.00045552 -0.00100807
-0.00439338 0.00777779 0.00427607
-3.66110039 -1.58674799 -18.55651348
-0.00017839 -0.00004008 0.00054000
0.00034389 -0.00702366 0.00328436
13.82516390 17.72397671 -20.13109204
0.00013215 0.00034899 -0.00119412
0.00408031 0.00976999 0.01049445
12.53296786 15.87090155 -21.81950535
-0.00012185 0.00060735 0.00114707
0.01394936 -0.00237623 0.00383050
-13.93393065 17.16209303 -11.76371522
-0.00033788 -0.00019559 -0.00015560
0.01948853 -0.01217390 0.03780793
-14.64864840 15.99062396 -14.35262997
0.00028801 -0.00030495 -0.00093534
0.00659767 0.01339147 0.01672196
2.01802874 15.73359852 6.34356077
0.00017532 0.00040859 -0.00007850
-0.01145433 0.01303981 -0.00626501
0.04393607 15.83698971 8.76647264
0.00070532 0.00004361 -0.00141676
-0.01870992 0.02193027 -0.00352608
-4.81195197 -8.08888605 2.56446520
0.00130971 0.00075663 -0.00056145
-0.01591421 0.01022108 -0.00272976
-3.21537904 -10.30935087 3.06985268
0.00062817 -0.00082617 -0.00048179
0.00577765 -0.00709999 -0.00279734
1.28207366 -3.93815725 3.21155622
-0.00032625 0.00007512 0.00059220
-0.02498995 0.06244879 0.02898938
3.23221621 -4.47754601 1.05223932
0.00123710 0.00055460 -0.00089318
-0.00408250 0.00782772 0.00420574
8.11301834 7.81524028 3.54919385
0.00033859 -0.00062771 0.00028669
0.03236611 -0.01724106 0.01125133
11.25559117 7.90843776 3.70963009
-0.00019292 -0.00021799 -0.00045041
-0.01848664 -0.00662328 0.01213708
-7.82597756 -11.24482993 -2.37484856
-0.00011730 -0.00058049 0.00042704
0.03624591 -0.03853766 0.01887457
-10.41886609 -9.94870319 -1.23062550
0.00001944 -0.00006035 0.00039272
0.02227683 -0.00425497 -0.01008045
5.23053172 -15.92819518 -12.74055317
0.00009498 -0.00090092 -0.00160603
0.00429957 0.00205093 -0.01671338
2.72628188 -16.52546562 -11.69768102
-0.00024048 0.00151822 -0.00094186
-0.00916118 0.00347386 -0.00949803
4.75428850 -4.84471574 -4.48463320
-0.00112390 0.00064836 0.00002186
0.00257708 0.01011513 -0.02016834
5.24664175 -6.68770583 -2.43558773
0.00027152 -0.00019538 0.00073158
-0.03114266 0.01557847 -0.00819257
16.71393385 2.63473746 24.33845949
0.00002075 0.00008175 0.00095850
-0.00269700 -0.00213375 -0.00008339
19.41281472 3.11550305 25.53755332
-0.00034114 0.00037473 -0.00052718
-0.01059835 -0.00666588 -0.01404495
-9.64992718 0.86958597 1.48475297
0.00026827 -0.00050491 -0.00037757
0.00617560 -0.00133551 -0.00738558
-10.00764560 3.33538192 2.72629815
0.00000895 0.00001090 0.00025989
0.00230048 0.01436737 -0.00013487
-5.02005885 13.58247085 -8.56696131
-0.00006405 0.00025169 0.00005703
0.00350861 0.00858191 -0.00191775
-7.55351396 12.32106439 -8.93609454
-0.00021965 -0.00038490 -0.00038193
-0.01857632 -0.00683680 0.00162743
1.39145787 11.82936552 -6.52566400
0.00045035 -0.00075437 -0.00048829
-0.01169991 -0.01171318 -0.01027934
1.93577606 14.40884961 -6.22359782
0.00078771 0.00072509 0.00011806
0.01049385 0.02439227 0.00663837
-10.69845012 8.28977462 -13.10254887
-0.00012297 -0.00055900 -0.00044148
-0.00797161 0.03190497 0.02237529
-11.80354915 10.03817662 -10.85335482
0.00045520 0.00027098 0.00040222
-0.00779709 -0.00833443 0.01440140
7.66693026 5.27700179 13.40118778
-0.00095364 -0.00027756 0.00103661
-0.01988859 0.01115684 -0.01025806
9.67987939 3.89014418 14.46264896
-0.00004456 -0.00059754 0.00029730
-0.00848892 -0.00925221 0.00717605
-14.21332863 11.03699308 -7.16021286
0.00008633 0.00182683 -0.00038612
0.00669318 0.00018990 -0.00839557
-16.93691233 10.79652435 -7.93866735
0.00021067 -0.00032726 -0.00004353
-0.01005946 0.00282946 -0.00368551
9.26175581 9.29311879 -2.30150204
0.00029833 0.00075155 -0.00058228
-0.00622082 -0.00019490 -0.01375174
7.71615870 8.00327085 -4.61899671
0.00026762 0.00028597 0.00099383
0.00076211 0.01315417 -0.00235701
14.48000171 -19.02836510 -27.42090858
-0.00007035 -0.00069308 0.00014253
-0.00168783 -0.00778499 -0.00137338
13.41806250 -20.27690351 -25.07187760
0.00008213 0.00021850 0.00078338
0.00839370 -0.00497647 -0.00606868
4.91577936 5.03024293 2.13990615
0.00010769 0.00013364 -0.00078904
0.01278642 0.02152845 -0.00943720
5.53621583 7.03016458 -0.09051458
-0.00075966 -0.00045226 0.00099376
0.00020796 -0.00792716 0.01826940
19.94587766 -5.97132412 -6.91634242
0.00061390 0.00179885 -0.00025014
0.01494240 -0.00219058 0.01267384
17.14946750 -5.01120753 -6.20855799
-0.00101963 0.00041792 -0.00006655
0.01721667 -0.00958398 -0.01533499
-2.60161641 -0.77475466 -0.97758871
-0.00017631 0.00070001 0.00023529
0.00279995 -0.00310070 -0.01337595
-2.12548583 -1.63659995 -3.84026396
-0.00046447 -0.00035690 -0.00084250
-0.00931324 0.00834247 0.00600749
3.91717127 -3.42254856 -12.36715294
-0.00001015 -0.00053977 -0.00063136
0.02501669 -0.03179846 -0.00587991
1.09575262 -2.83450585 -11.80688492
0.00005259 -0.00042710 -0.00002242
0.00487889 0.00195100 -0.00029326
19.81057097 8.55426413 -7.88486673
0.00036330 0.00037916 -0.00029419
-0.00222438 0.00584353 0.02583885
20.99259391 8.14077598 -5.16310778
0.00052743 -0.00078365 -0.00003512
-0.02414585 0.01918473 -0.01974029
-7.05520969 3.86216072 8.87990719
-0.00060809 0.00091080 -0.00038300
-0.01218953 0.03194082 0.00024780
-7.06370149 6.51581317 10.33775956
0.00109805 -0.00061943 -0.00042241
-0.00525103 -0.00452063 -0.00563621
-2.07197754 -17.86636679 11.59309360
0.00062983 0.00003234 -0.00019187
0.00193208 -0.00720001 0.00198851
-2.80200015 -15.61427342 9.97289559
-0.00018285 -0.00068595 -0.00035419
-0.00149927 0.00541003 -0.00259328
8.39858578 -0.49973006 -3.15042160
0.00021134 0.00080560 -0.00037006
0.03501357 -0.00454428 0.06234824
7.57319544 1.35102256 -5.25229170
0.00039035 0.00056284 0.00005088
0.00363325 -0.01697082 -0.00238484
0.34969409 -11.87274675 1.88870709
0.00002898 -0.00024510 0.00036170
-0.00494999 -0.00432577 -0.00080785
-1.00324578 -10.58401681 -0.27087433
-0.00073793 0.00018400 0.00017588
-0.00805397 0.00212593 -0.00371207
-19.47430585 -1.35320335 6.84851798
0.00081250 0.00092477 -0.00010233
0.01089175 -0.01149049 0.02772256
-21.35601296 0.50593853 5.96644645
-0.00063647 0.00051351 0.00022202
0.01828552 -0.01032602 -0.01595339
-5.08541597 8.12689233 -26.35084280
-0.00010597 0.00023307 -0.00190585
0.00681444 0.00881381 -0.03029888
-5.20664827 7.58126947 -23.76179220
0.00018046 0.00043885 0.00011658
-0.03455943 0.00432655 -0.00859154
4.20086287 1.70561328 -2.42407474
0.00008051 0.00036014 0.00037406
-0.02025487 0.01254985 0.00626555
2.14755544 0.22909043 -1.43438934
-0.00027269 -0.00054498 0.00002537
-0.02342107 -0.01307656 0.00609714
14.94123658 7.59492113 5.81955506
0.00024575 0.00072808 0.00035961
-0.00378887 -0.01202039 0.01434344
15.50720436 9.75314668 4.13628421
-0.00081837 -0.00027675 0.00009278
0.02518178 0.05639699 -0.00554314
1.55152605 -11.76011816 -13.91336372
0.00016895 0.00006816 -0.00014256
0.00710059 0.00637191 0.00332378
-13.56769569 14.64868292 22.77151319
-0.00002384 0.00013335 0.00014654
-0.00477680 -0.00096562 -0.00270280
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02417311
0.33297377
443.67085885
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1318983234
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3571121747 (a.u.)
total exchange computation time: 2.6260390282 s
-154.0596350374
-931.35768046
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1318983234
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3565810522 (a.u.)
total exchange computation time: 2.6279170513 s
-154.0650824062
Anderson extrapolation: theta=1.3650167018 (1.3650167018)
-931.35795207
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1318983234
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3557449229 (a.u.)
total exchange computation time: 2.6272749901 s
-154.0731396251
Anderson extrapolation: theta=0.0589032374 (0.0589032374)
-931.35811911
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1318983234
ExchangeOperator: bisection time: 1.246 s
total exchange = -52.3556047875 (a.u.)
total exchange computation time: 2.6268281937 s
-154.0741904123
Anderson extrapolation: theta=2.0984547101 (2.0000000000)
-931.35812686
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1318983234
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3552915606 (a.u.)
total exchange computation time: 2.6281778812 s
-154.0764446871
Anderson extrapolation: theta=0.2867120774 (0.2867120774)
-931.35813619
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1318983234
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3551920293 (a.u.)
total exchange computation time: 2.6268000603 s
-154.0770814143
Anderson extrapolation: theta=1.4986235803 (1.4986235803)
-931.35813836
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1318983234
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3550623760 (a.u.)
total exchange computation time: 2.6272299290 s
-154.0778268626
Anderson extrapolation: theta=0.3578607772 (0.3578607772)
-931.35814065
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1318983234
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3550385474 (a.u.)
total exchange computation time: 2.6262421608 s
-154.0778787452
Anderson extrapolation: theta=1.0820935789 (1.0820935789)
-931.35814132
-22.284797 -171.413539 -244.298620
-137.232693 457.833367 -805.228201
-159.517490 286.419827 -1049.526821
1099.540220
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1318983234
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3550315182 (a.u.)
total exchange computation time: 2.6176538467 s
678.70034404
-1083.58439367
89.75531463
-389.12475533
-174.74961994
78.19550693
551.60419304
0.00000000
-931.35814178
-9.20583008 -5.34754877 9.75167990
0.00020329 -0.00008862 0.00024106
0.01125729 -0.00983133 0.00415321
-13.79254938 5.02956971 8.94296185
0.00011533 -0.00009704 -0.00011941
-0.00250705 0.00734962 0.00347678
-15.83755710 1.55303628 2.95915103
-0.00020106 -0.00015335 0.00016264
0.02179963 0.01029962 -0.00138440
2.39586394 -19.66114475 13.33643712
-0.00025264 0.00013902 0.00014716
0.02324018 -0.04357586 0.04143325
9.81619805 20.81838492 0.44595552
0.00035517 0.00001063 -0.00022181
0.01575499 -0.03802156 -0.03002958
-11.19953963 12.79632557 15.20142024
-0.00018267 0.00007423 0.00011684
0.00809008 -0.05504605 -0.00452429
-6.00385932 1.10650509 -12.92170935
0.00015239 -0.00023443 0.00007225
0.01326324 0.01237884 -0.01014804
-8.90400899 6.70119112 -6.84244356
0.00015378 0.00024543 0.00000656
-0.02369353 -0.00950552 0.01579187
-7.43723989 -3.72725771 18.03425811
0.00034090 -0.00020796 -0.00013290
0.00574876 -0.04252025 0.00290068
-23.43856426 -7.57794612 -23.56075897
-0.00033545 -0.00012887 -0.00035567
0.01514454 -0.01606528 -0.00499086
8.46917268 13.12418857 6.63429420
0.00042535 0.00036283 0.00024548
-0.01652739 0.02723515 -0.06127153
23.12467914 28.85274620 -3.08660072
-0.00031532 -0.00044469 0.00030555
0.01429273 0.00166702 0.01218789
9.41736528 0.02527913 -14.63021113
0.00031432 0.00024583 -0.00012267
-0.05224395 0.00882305 -0.01970988
-9.09176213 -1.09247945 12.52930776
-0.00016369 -0.00008522 -0.00044214
-0.00873619 0.02331781 0.04259912
-2.13771483 -25.92212842 10.53491737
-0.00007287 0.00002712 0.00004645
0.00250614 0.00381069 -0.03192486
-15.25186001 -4.10820945 -7.26068381
-0.00018062 0.00001330 -0.00023154
0.00660191 -0.01037129 0.00177303
-19.42977819 -11.03480263 -18.22704666
-0.00005865 -0.00010511 0.00007116
0.02075699 0.04760248 -0.03911222
21.15268147 5.38471050 4.66755607
-0.00044421 0.00017411 0.00008868
-0.01302690 -0.00022250 0.01678427
19.43109743 -11.58311479 -13.31976276
0.00058503 0.00027799 0.00017707
-0.03569704 0.02007794 0.03103998
-3.17844044 -0.31770754 -6.56569413
-0.00032002 -0.00019222 0.00011823
-0.00728379 -0.02698529 -0.00242022
-3.75835316 -3.16781477 -17.57844001
0.00029963 0.00015730 -0.00010297
0.00356606 0.00010425 -0.00536220
14.24926722 16.41270004 -21.29249473
0.00012554 -0.00002927 -0.00014112
-0.00842753 -0.00675302 -0.01495159
-14.58715246 17.61998426 -13.32325519
0.00015553 0.00055419 -0.00012170
-0.02947230 -0.01140820 -0.05720988
1.42644118 15.09700261 7.91583464
-0.00034505 -0.00006419 -0.00031794
0.03809915 -0.04271415 0.00261800
-4.40425703 -9.20989540 3.91936778
0.00017962 0.00012513 -0.00001999
0.01138960 -0.01062258 -0.00278401
2.10550230 -5.13985682 2.31689937
-0.00010385 -0.00003001 0.00003051
0.03938778 -0.06255516 -0.03522390
9.67217955 7.16419269 4.43412724
-0.00008607 0.00021540 -0.00025608
-0.00501092 0.01601344 -0.01991447
-9.25669725 -10.28681342 -2.65257198
-0.00016716 -0.00022481 0.00029769
-0.06219754 0.04387606 -0.00144272
3.44128951 -15.60735910 -13.12989028
-0.00022191 -0.00014617 0.00011219
0.00897060 -0.00108299 0.01340114
3.78535993 -5.69850646 -3.20794229
0.00018730 -0.00000818 0.00040161
0.03021553 -0.03054201 0.03063112
18.39586017 1.91887891 24.48780940
-0.00002970 -0.00015007 -0.00018490
0.01241736 -0.00205533 0.00988874
-8.89046674 2.54233997 1.52471048
-0.00028502 -0.00036399 0.00003987
-0.01165782 -0.00993847 0.00374918
-5.98935342 12.59991655 -9.79636338
0.00047432 -0.00041878 0.00012697
0.00481466 -0.00332487 -0.00635784
1.61323084 13.29053605 -7.59560942
-0.00003052 0.00010492 0.00016105
0.00379530 -0.01182992 0.00858565
-11.11164250 10.05699760 -12.50267512
-0.00045715 -0.00003548 0.00005078
0.01972876 -0.02611627 -0.03579168
7.83568252 3.95385013 14.62255907
-0.00004027 -0.00027655 0.00003677
0.03205365 -0.00843991 0.00826713
-15.40870088 9.82701243 -7.86283394
0.00028238 0.00036707 0.00058567
0.00888512 0.00074900 0.00951893
8.63032161 7.75099769 -3.06531898
-0.00048102 -0.00032048 -0.00013499
0.00948505 -0.01112541 0.02787634
14.17001271 -20.71518178 -26.70929763
0.00000205 0.00009768 0.00008092
-0.01064865 0.01873581 0.01436899
5.10031328 6.86090258 1.72431427
0.00015624 -0.00030947 0.00028473
-0.00686250 -0.00779818 -0.00596077
18.26753891 -5.85819461 -7.52579295
-0.00018011 -0.00002052 0.00015039
-0.03056568 0.01384675 0.01831348
-1.94878517 -2.12080894 -2.06126243
-0.00004865 -0.00029451 0.00017333
0.00292674 0.00123386 0.01658735
2.79343190 -2.10667965 -12.03308689
0.00003548 -0.00003331 0.00001798
-0.02586312 0.02453348 0.01103463
19.68879840 9.22946776 -6.11568710
0.00018031 -0.00028285 0.00024118
0.03122851 -0.03641578 -0.00626953
-7.64390113 5.74140838 8.76825835
-0.00020002 -0.00027502 -0.00043131
0.01619660 -0.01482601 0.00774262
-1.76074352 -16.09839065 11.38139938
0.00019577 -0.00009237 -0.00004260
-0.00323135 0.00670020 0.00072250
7.60454423 -0.43492021 -4.68303602
0.00005305 0.00019373 -0.00028406
-0.03078856 0.04955994 -0.04167703
-1.02789892 -12.19173803 0.67319918
-0.00011692 -0.00024253 0.00009154
0.00986384 0.00465826 0.00513122
-19.97467104 -0.57780339 5.30950786
-0.00007365 0.00040989 0.00008638
-0.03453028 0.02965052 -0.01504866
-6.45290905 7.94819567 -25.16388454
-0.00010919 0.00022822 -0.00008666
0.05170791 -0.01222805 0.04975714
2.42121707 1.96224550 -1.84879010
-0.00038795 0.00010414 -0.00013618
0.04896847 -0.01097644 -0.01203584
14.68315410 8.22961231 4.13795985
-0.00029154 -0.00010591 -0.00000654
-0.02501540 -0.04668514 -0.00879583
-8.20607959 -6.83229148 10.27768044
-0.00017312 0.00094757 -0.00031148
-0.00909285 0.00932328 -0.00690000
-10.24550780 -5.82582972 8.33086769
-0.00074116 0.00102246 0.00010874
0.00184201 -0.00617696 0.00331923
-13.10028744 5.99230173 7.51027322
-0.00011321 -0.00069040 -0.00080443
-0.00634929 -0.01039402 0.00003898
-13.78240468 3.25349883 8.47915965
0.00071092 0.00004675 0.00113338
0.00693353 0.00309261 0.00183851
-14.70249713 1.57038019 4.41658616
0.00036208 -0.00029493 -0.00116191
-0.00633130 0.00288926 -0.00274252
-17.36483358 0.80529884 3.58557890
0.00082924 0.00050414 0.00014046
-0.01691065 -0.00966124 0.00983927
2.63480285 -21.49954427 12.76845750
-0.00061042 -0.00099843 0.00035173
-0.00129372 0.04224595 0.00711138
3.27710140 -19.61355610 15.08210105
0.00071501 -0.00077103 0.00022092
-0.02560682 0.00003810 -0.05359606
9.18911578 19.02477172 0.18273039
0.00002982 0.00030976 -0.00113198
0.00652322 0.03197704 0.01613284
8.71779794 21.83115328 1.45323707
0.00093672 -0.00010989 -0.00003271
-0.02702827 0.00016702 0.00888555
-10.52998871 12.12082534 16.84827804
-0.00016654 -0.00014216 -0.00107299
-0.00097545 0.01448895 -0.00714906
-11.43375404 14.51060778 15.43165432
0.00077356 -0.00025000 0.00078004
-0.00631189 0.04529982 0.00718002
-5.99185221 0.01734841 -14.36223875
-0.00001247 0.00066566 -0.00045439
0.00134606 -0.00516440 -0.00494783
-6.79179905 0.21897350 -11.54368491
-0.00169789 0.00041397 0.00084883
-0.01115531 -0.00739205 0.01199569
-8.07188962 8.30013525 -6.58627762
0.00069151 -0.00011108 -0.00080873
-0.00004103 -0.00422325 -0.00207219
-9.86875244 6.51814861 -5.22230058
0.00006824 0.00105062 0.00031583
0.01315645 0.00882827 -0.02536360
-7.62508167 -1.97230569 18.01109742
-0.00028625 0.00081663 -0.00035421
-0.00083086 0.03453925 -0.00024826
-7.19391798 -4.20813538 19.80544187
0.00051117 -0.00025302 0.00072676
-0.00440377 -0.00045391 -0.00547161
-24.80816144 -6.39368360 -23.39754421
0.00053411 0.00047570 -0.00059749
0.01305183 0.01221077 -0.00390527
-21.74774342 -6.78603741 -23.64743579
0.00017521 -0.00069969 -0.00075453
-0.02845840 0.00658552 0.00104730
8.64549032 13.10135613 4.69728329
0.00013220 -0.00014483 0.00043703
-0.00111191 0.00013975 0.04693203
9.41387397 11.78767288 7.38915079
0.00056892 0.00083036 -0.00112185
0.01479836 -0.01898266 0.01246835
24.10065838 27.34846859 -2.52420486
0.00063438 0.00025907 -0.00022522
-0.02279901 0.01603911 -0.00615154
22.92544884 29.98305340 -1.61696245
-0.00082897 -0.00075097 0.00103597
-0.00311472 -0.01015181 -0.00726523
10.92795488 -0.80997880 -14.42015482
0.00010828 0.00058850 0.00044319
0.04975348 -0.01324429 0.01007913
8.29806904 -1.46021060 -14.68770112
0.00031473 0.00039938 -0.00005373
0.00109092 0.00694673 0.00815456
-9.76312714 -1.21606984 14.26971105
0.00000960 -0.00127578 -0.00012575
0.01168179 0.00803639 -0.02103353
-9.40825088 -2.71039905 11.86450419
-0.00011998 -0.00072322 0.00112621
-0.00333765 -0.03227514 -0.01878581
-3.17120880 -26.43769012 11.91831941
-0.00058135 -0.00026904 -0.00003688
-0.00607333 -0.00817260 0.02855936
-3.38171380 -25.74298976 9.20162089
0.00005620 0.00024310 0.00031209
0.01015627 0.00340582 -0.00604515
-14.77959143 -2.47779859 -6.37927835
-0.00044217 0.00039202 -0.00057787
-0.00593144 -0.01455568 -0.01410965
-16.09103590 -3.71872385 -8.80934584
0.00029528 -0.00050161 -0.00023019
-0.00538329 0.00518922 -0.00237186
-18.93316874 -9.42318787 -19.20990947
-0.00002210 -0.00024559 -0.00044232
-0.02035272 -0.02789916 0.03388428
-18.19289876 -12.11886323 -19.02040190
0.00014862 0.00026538 -0.00044293
0.00236761 -0.02036701 0.00507563
22.60758415 5.91344572 3.71918352
-0.00053701 0.00114651 0.00093601
-0.00271720 0.01185740 0.00304190
20.24288396 6.76432239 5.52307252
0.00061680 0.00073077 -0.00040528
0.01797284 -0.01057741 -0.01664009
18.33143670 -10.87732366 -11.79075655
0.00078888 -0.00065268 0.00021073
0.02292194 -0.02101819 -0.03779847
18.67457252 -10.68038376 -14.73007666
0.00130935 -0.00022251 0.00007446
0.00159433 0.00123641 0.00171936
-1.79364506 0.74977409 -6.91516061
0.00050918 -0.00101669 0.00097716
0.00663761 0.02372572 -0.00495726
-4.75705092 0.50567624 -6.17930741
0.00000664 0.00085486 -0.00013567
0.00797435 0.00910084 0.00106328
-3.00933741 -4.50309021 -18.60300136
-0.00036071 -0.00041546 -0.00098513
-0.00627848 0.01183361 0.00695252
-3.66376564 -1.58756439 -18.54831280
-0.00017594 -0.00006337 0.00054874
0.00085465 -0.00437549 0.00099514
13.82727125 17.72951100 -20.14868230
0.00014938 0.00039486 -0.00114609
0.00435304 0.01268094 0.01301990
12.53156759 15.87993897 -21.80218191
-0.00006846 0.00059403 0.00115922
0.01218332 -0.00414392 0.00211525
-13.93840166 17.15878615 -11.76489068
-0.00025901 -0.00024535 -0.00000183
0.01911829 -0.01218334 0.03746386
-14.64412612 15.98646004 -14.36614764
0.00031543 -0.00024112 -0.00086077
0.00682840 0.01785469 0.01978098
2.02030755 15.74012701 6.34219130
0.00012856 0.00046038 -0.00010200
-0.01143354 0.01231070 -0.00524068
0.05394254 15.83831592 8.74511319
0.00061097 0.00014254 -0.00141964
-0.02747479 0.02649274 0.00211470
-4.79279395 -8.07722336 2.55595982
0.00124714 0.00079196 -0.00056565
-0.01471453 0.00707349 0.00067545
-3.20577948 -10.32196098 3.06254016
0.00064097 -0.00084559 -0.00048618
0.00049121 -0.00240782 0.00064814
1.27641408 -3.93511678 3.22132762
-0.00042120 0.00032164 0.00070324
-0.02148526 0.05822256 0.02536201
3.25064754 -4.46898707 1.03897056
0.00120352 0.00057777 -0.00085746
-0.01235233 0.00351015 0.01327921
8.11908895 7.80529632 3.55383901
0.00046230 -0.00069379 0.00032713
0.02819390 -0.01510458 0.00854530
11.25213092 7.90496497 3.70324588
-0.00026645 -0.00024381 -0.00040173
-0.01750977 -0.00601622 0.01169252
-7.82662642 -11.25471814 -2.36786464
0.00002527 -0.00073441 0.00050269
0.03354372 -0.03681007 0.01815702
-10.41789185 -9.94973889 -1.22504361
0.00011023 -0.00007752 0.00035165
0.02216326 -0.00414860 -0.01002353
5.23208814 -15.94164620 -12.76515583
0.00011050 -0.00089316 -0.00167237
0.00329700 0.00174832 -0.01575730
2.72239393 -16.50258594 -11.71209994
-0.00028567 0.00152017 -0.00096166
-0.01296001 -0.00251584 -0.00019702
4.73750897 -4.83468041 -4.48492338
-0.00111098 0.00068856 -0.00005959
0.00374794 0.00956574 -0.01969956
5.24976021 -6.69015916 -2.42486512
0.00014365 -0.00012899 0.00069482
-0.03144997 0.01691846 -0.00979972
16.71416248 2.63589834 24.35283445
0.00000851 0.00007212 0.00095656
-0.00329454 -0.00258292 -0.00086587
19.40737282 3.12091977 25.52921526
-0.00038252 0.00034655 -0.00058401
-0.00965458 -0.00712800 -0.01377204
-9.64571386 0.86197144 1.47886307
0.00029202 -0.00051031 -0.00040639
0.00545102 -0.00130986 -0.00672040
-10.00744078 3.33598561 2.73019235
0.00001914 0.00006673 0.00025753
0.00268611 0.01296194 -0.00102121
-5.02091211 13.58650921 -8.56616456
-0.00004977 0.00028625 0.00004956
0.00348080 0.00833611 -0.00174292
-7.55737792 12.31508132 -8.94177364
-0.00028904 -0.00041134 -0.00037833
-0.01539238 -0.00610225 0.00013435
1.39785466 11.81769110 -6.53330329
0.00040351 -0.00079583 -0.00053075
-0.01123236 -0.00858536 -0.01050547
1.94791323 14.42047346 -6.22162355
0.00082813 0.00081554 0.00013928
0.00929148 0.01988375 0.00374908
-10.70053889 8.28236733 -13.10848535
-0.00015759 -0.00042198 -0.00034641
-0.00897444 0.03516541 0.02415985
-11.79696001 10.04198596 -10.84688022
0.00042348 0.00023595 0.00046097
-0.00773324 -0.00881467 0.01435582
7.65201625 5.27318031 13.41642266
-0.00103410 -0.00022531 0.00098921
-0.01949821 0.01441876 -0.01294498
9.67895090 3.88089764 14.46732838
-0.00007993 -0.00063362 0.00032504
-0.00882772 -0.00841007 0.00640177
-14.21182852 11.06440137 -7.16626198
0.00010985 0.00182237 -0.00042227
0.00481600 -0.00237228 -0.00929846
-16.93406056 10.79170223 -7.93943331
0.00016567 -0.00031370 -0.00005890
-0.01196565 0.00380699 -0.00383365
9.26604013 9.30438606 -2.31065757
0.00026859 0.00073732 -0.00064316
-0.00833758 -0.00677175 -0.01605366
7.72019635 8.00796348 -4.60416150
0.00026031 0.00034144 0.00096623
-0.00433792 0.01399828 -0.01115349
14.47889474 -19.03899990 -27.41881273
-0.00007576 -0.00071479 0.00013308
-0.00096178 -0.00284023 -0.00325053
13.41955167 -20.27377846 -25.06031287
0.00011989 0.00019668 0.00075098
0.01009131 -0.00570375 -0.00979243
4.91778648 5.03290718 2.12778137
0.00015823 0.00021354 -0.00082343
0.01195355 0.01758380 -0.00739646
5.52482723 7.02313775 -0.07504831
-0.00075557 -0.00048171 0.00105570
0.00179692 -0.00648979 0.01204972
19.95554401 -5.94440855 -6.91970618
0.00066530 0.00179077 -0.00020122
0.01021868 -0.00176211 0.01127595
17.13470059 -5.00523240 -6.21002621
-0.00094565 0.00037686 -0.00013097
0.01899695 -0.01051648 -0.01619589
-2.60417521 -0.76434946 -0.97446918
-0.00016134 0.00067974 0.00017517
0.00452865 -0.00682517 -0.01605576
-2.13273828 -1.64169780 -3.85271733
-0.00050178 -0.00032583 -0.00080537
-0.00895196 0.00686429 0.01216401
3.91778557 -3.43161959 -12.37680350
0.00008603 -0.00066150 -0.00065348
0.02206615 -0.02778850 -0.00495015
1.09669095 -2.84085254 -11.80723017
0.00007335 -0.00041768 -0.00002390
0.00528468 0.00265991 -0.00043420
19.81595233 8.56013064 -7.88848781
0.00035379 0.00040355 -0.00018580
-0.00243228 0.00609383 0.02721936
20.99976547 8.12960917 -5.16423948
0.00042689 -0.00070358 -0.00011633
-0.02507081 0.02000590 -0.02001435
-7.06470449 3.87680153 8.87416973
-0.00065469 0.00103042 -0.00038275
-0.01062501 0.02661062 -0.00012576
-7.04739166 6.50638319 10.33125071
0.00107442 -0.00063831 -0.00044874
-0.00631691 -0.00472036 -0.00725477
-2.06247084 -17.86610230 11.59027646
0.00063768 -0.00000091 -0.00018261
0.00190911 -0.00907851 0.00254442
-2.80478881 -15.62439692 9.96750325
-0.00018554 -0.00066463 -0.00036095
0.00018260 0.00502791 -0.00071415
8.40282880 -0.48778530 -3.15406203
0.00035332 0.00078606 -0.00011751
0.03448609 -0.00502162 0.06128053
7.57916207 1.35894514 -5.25160157
0.00040406 0.00049100 0.00004044
0.00307490 -0.01819491 -0.00272592
0.34997709 -11.87655578 1.89410782
0.00000632 -0.00026254 0.00035548
-0.00614235 -0.00421387 -0.00223592
-1.01456153 -10.58119169 -0.26834985
-0.00076994 0.00018942 0.00016265
-0.00761768 0.00052642 -0.00276568
-19.46178460 -1.33968396 6.84783254
0.00085633 0.00087807 0.00001202
0.01056271 -0.01136889 0.02825026
-21.36499972 0.51332478 5.96928790
-0.00055675 0.00046705 0.00015546
0.02073676 -0.01241841 -0.01662624
-5.08679664 8.13065851 -26.38035895
-0.00008988 0.00026674 -0.00201393
0.00105713 0.00766475 -0.02260754
-5.20500043 7.58798477 -23.76030672
0.00003886 0.00045748 0.00007645
-0.03475391 0.00479174 -0.01105385
4.20144981 1.71139995 -2.41827192
-0.00000519 0.00041100 0.00040035
-0.02169318 0.01234489 0.00660476
2.14274735 0.22051498 -1.43382193
-0.00036599 -0.00058755 0.00004741
-0.02224991 -0.00776176 0.00469068
14.94480678 7.60547399 5.82538874
0.00022910 0.00067841 0.00041544
-0.00436163 -0.01229592 0.01298734
15.49570039 9.75072357 4.13750600
-0.00071282 -0.00003975 0.00006856
0.02648554 0.05961780 -0.00631234
1.55407939 -11.75907860 -13.91549327
0.00017152 0.00007045 -0.00014135
0.00725527 0.00638804 0.00347038
-13.56806160 14.65068147 22.77370653
-0.00002497 0.00013313 0.00014592
-0.00493662 -0.00090982 -0.00261200
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02430654
0.33383524
444.81871474
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1318983234
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3517571201 (a.u.)
total exchange computation time: 2.6264581680 s
-154.0444470253
-931.35917486
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1318983234
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3513126165 (a.u.)
total exchange computation time: 2.6271331310 s
-154.0492492079
Anderson extrapolation: theta=1.3479197139 (1.3479197139)
-931.35944293
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1318983234
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3506275214 (a.u.)
total exchange computation time: 2.6285259724 s
-154.0562194101
Anderson extrapolation: theta=0.0527318300 (0.0527318300)
-931.35960415
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1318983234
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3505205068 (a.u.)
total exchange computation time: 2.6274287701 s
-154.0570640922
Anderson extrapolation: theta=1.9602512369 (1.9602512369)
-931.35961063
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555959302
ExchangeOperator: pair fraction: ispin=0: 0.1324607896
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3503790204 (a.u.)
total exchange computation time: 2.6550099850 s
-154.0589202271
Anderson extrapolation: theta=-0.3356458313 (-0.3356458313)
-931.35970989
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555959302
ExchangeOperator: pair fraction: ispin=0: 0.1324607896
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3504213988 (a.u.)
total exchange computation time: 2.6576609612 s
-154.0585408564
Anderson extrapolation: theta=0.2436242130 (0.2436242130)
-931.35971030
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555959302
ExchangeOperator: pair fraction: ispin=0: 0.1324607896
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3503981007 (a.u.)
total exchange computation time: 2.6560628414 s
-154.0586502543
Anderson extrapolation: theta=3.9423464101 (2.0000000000)
-931.35971202
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555959302
ExchangeOperator: pair fraction: ispin=0: 0.1324607896
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3503305609 (a.u.)
total exchange computation time: 2.6554589272 s
-154.0589967621
Anderson extrapolation: theta=1.1341418044 (1.1341418044)
-931.35971547
-22.237089 -171.354432 -244.346756
-137.203990 457.856320 -805.270912
-159.441079 286.501888 -1049.617668
1099.637231
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555959302
ExchangeOperator: pair fraction: ispin=0: 0.1324607896
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3502477737 (a.u.)
total exchange computation time: 2.6592781544 s
678.62362673
-1083.42214489
89.76501362
-389.23886275
-174.73710292
78.10376141
551.60419304
0.00000000
-931.35971799
-9.20273731 -5.34891602 9.75531189
0.00020749 -0.00009196 0.00024215
0.00505860 -0.00315617 0.00008698
-13.79082910 5.02814251 8.94118406
0.00011405 -0.00009233 -0.00011768
-0.00248762 0.01097013 0.00327994
-15.84048892 1.55077575 2.96158533
-0.00018866 -0.00014721 0.00016007
0.02640699 0.01359808 -0.00860603
2.39216399 -19.65922749 13.33880435
-0.00024030 0.00011538 0.00016855
0.02472837 -0.04836947 0.04174288
9.82158636 20.81839769 0.44251251
0.00036362 -0.00000892 -0.00023755
0.01709785 -0.03800243 -0.03116759
-11.20224854 12.79722672 15.20315546
-0.00017893 0.00004597 0.00011333
0.00646908 -0.05484094 -0.00914368
-6.00152225 1.10303637 -12.92066467
0.00015836 -0.00022857 0.00006887
0.00994649 0.01042214 -0.00301036
-8.90179364 6.70483589 -6.84228420
0.00014133 0.00024025 0.00001476
-0.02472254 -0.01064264 0.01609247
-7.43210418 -3.73054118 18.03227575
0.00034372 -0.00022744 -0.00013024
0.00522017 -0.03322198 0.00745857
-23.44353764 -7.57994111 -23.56611334
-0.00032696 -0.00013736 -0.00035822
0.01787213 -0.01694520 -0.00491394
8.47548915 13.12973615 6.63774009
0.00041606 0.00037778 0.00021362
-0.01957481 0.03087131 -0.06261830
23.12000442 28.84608226 -3.08197050
-0.00030829 -0.00044303 0.00031223
0.01307171 0.00481111 0.01381152
9.42187850 0.02900063 -14.63212717
0.00028735 0.00025076 -0.00013288
-0.05262121 0.01034674 -0.02000234
-9.09425116 -1.09366782 12.52283992
-0.00016861 -0.00007385 -0.00041976
-0.01039521 0.02090315 0.04444285
-2.13879815 -25.92170689 10.53549104
-0.00007174 0.00002880 0.00003111
0.00187420 0.00271734 -0.02775920
-15.25454388 -4.10805002 -7.26415013
-0.00017695 0.00000804 -0.00023000
0.00767982 -0.01007343 0.00421964
-19.43057789 -11.03619564 -18.22613015
-0.00004767 -0.00008090 0.00005077
0.02192719 0.04652606 -0.04018697
21.14596805 5.38732130 4.66895100
-0.00045073 0.00017396 0.00009714
-0.01233737 -0.00035994 0.01613122
19.43973515 -11.57886747 -13.31698693
0.00056743 0.00028741 0.00019328
-0.03275288 0.01655835 0.03198702
-3.18326886 -0.32069496 -6.56392998
-0.00032395 -0.00020586 0.00011700
-0.00801252 -0.02605882 -0.00237692
-3.75384489 -3.16545493 -17.58000528
0.00030178 0.00015565 -0.00010575
0.00477837 -0.00651069 -0.00545616
14.25111781 16.41223489 -21.29466921
0.00012164 -0.00003286 -0.00014889
-0.00672580 -0.00718137 -0.01527619
-14.58493326 17.62825312 -13.32530132
0.00014070 0.00054716 -0.00015109
-0.02816532 -0.01591800 -0.05708694
1.42141239 15.09587494 7.91107557
-0.00032343 -0.00008699 -0.00031827
0.04595860 -0.04591855 -0.00387784
-4.40151876 -9.20805944 3.91905725
0.00018641 0.00011931 -0.00002315
0.01502067 -0.01198955 -0.00951911
2.10409641 -5.14054824 2.31722121
-0.00008311 -0.00005945 0.00001180
0.04128524 -0.05193029 -0.03754998
9.67086916 7.16748540 4.43020924
-0.00008769 0.00022276 -0.00026526
-0.00129800 0.01262975 -0.01577977
-9.25944464 -10.29001625 -2.64811216
-0.00019770 -0.00020316 0.00029704
-0.05654024 0.04028669 -0.00111039
3.43799544 -15.60955589 -13.12815578
-0.00021586 -0.00014503 0.00011624
0.01454243 0.00553875 0.00235938
3.78828595 -5.69874690 -3.20180005
0.00020256 -0.00002379 0.00041735
0.02911599 -0.03017204 0.03060774
18.39546250 1.91661998 24.48507409
-0.00002353 -0.00015094 -0.00017981
0.01159579 -0.00134204 0.00990514
-8.89478702 2.53684181 1.52532292
-0.00029088 -0.00036869 0.00004189
-0.01111425 -0.00833427 0.00410918
-5.98222001 12.59362202 -9.79448340
0.00047597 -0.00042063 0.00012417
0.00158335 -0.00386260 -0.00450441
1.61278767 13.29206417 -7.59316048
-0.00002836 0.00009927 0.00016633
0.00459229 -0.01013449 0.01192142
-11.11842366 10.05636466 -12.50205147
-0.00044691 -0.00004937 0.00003231
0.02010387 -0.02791258 -0.03604205
7.83520218 3.94966935 14.62314255
-0.00002394 -0.00028175 0.00004176
0.03142970 -0.01179760 0.01113850
-15.40443091 9.83252137 -7.85401223
0.00028776 0.00036788 0.00059075
0.01204126 0.00241544 0.01027070
8.62314288 7.74614761 -3.06723636
-0.00047427 -0.00032486 -0.00011796
0.01676503 -0.00593338 0.03836746
14.17000244 -20.71364426 -26.70802845
-0.00000400 0.00010611 0.00008967
-0.01290578 0.01403566 0.01966162
5.10263035 6.85623046 1.72856229
0.00015245 -0.00031267 0.00028287
-0.00787869 -0.00464915 -0.00129053
18.26471943 -5.85844903 -7.52346647
-0.00019480 -0.00001334 0.00016029
-0.02656208 0.01408858 0.02019297
-1.94950365 -2.12522184 -2.05859849
-0.00004770 -0.00029258 0.00018104
0.00076141 0.00626222 0.01340514
2.79386439 -2.10708472 -12.03277458
0.00002316 -0.00002218 0.00002338
-0.02206455 0.01876763 0.00997050
19.69162348 9.22508458 -6.11209358
0.00019639 -0.00030168 0.00023777
0.03132497 -0.03680867 -0.00698161
-7.64683892 5.73722590 8.76181862
-0.00019195 -0.00028091 -0.00042684
0.01519213 -0.00806831 0.00963671
-1.75781943 -16.09975041 11.38076315
0.00019371 -0.00008845 -0.00004286
-0.00476244 0.00856215 -0.00173583
7.60522118 -0.43182311 -4.68745767
0.00003790 0.00021931 -0.00030429
-0.02811743 0.04993164 -0.03700228
-1.02961466 -12.19535808 0.67459213
-0.00011169 -0.00023970 0.00009424
0.01048166 0.00634757 0.00535560
-19.97590905 -0.57154071 5.31074546
-0.00009169 0.00042525 0.00007895
-0.03559046 0.03008839 -0.01382807
-6.45434747 7.95157186 -25.16499249
-0.00008125 0.00022219 -0.00006267
0.05694479 -0.01125097 0.04354034
2.41558666 1.96376520 -1.85087925
-0.00036296 0.00009712 -0.00014198
0.04824211 -0.01629444 -0.01050350
14.67868447 8.22784356 4.13782781
-0.00030412 -0.00012990 -0.00001048
-0.02389730 -0.04661933 -0.00652023
-8.20895504 -6.81779230 10.27279682
-0.00020220 0.00097157 -0.00033646
-0.00514306 0.00242723 -0.00532900
-10.25656880 -5.81068204 8.33260054
-0.00072950 0.00099734 0.00012709
0.00386574 -0.00612031 0.00566155
-13.10218021 5.98162718 7.49820793
-0.00013937 -0.00073325 -0.00080250
-0.00645327 -0.01057744 0.00090842
-13.77152837 3.25429491 8.49621664
0.00073894 0.00005243 0.00113867
0.00678031 -0.00031414 0.00075415
-14.69726001 1.56604479 4.39907343
0.00034187 -0.00028276 -0.00116454
-0.00355887 0.00306959 0.00145578
-17.35291311 0.81256493 3.58798729
0.00074512 0.00045754 0.00018671
-0.02426754 -0.01315142 0.01280333
2.62560687 -21.51322620 12.77395140
-0.00061675 -0.00081743 0.00038178
-0.00180583 0.04635389 0.00759917
3.28704194 -19.62512032 15.08377255
0.00060819 -0.00076921 -0.00000002
-0.02668319 0.00084977 -0.05455511
9.18976292 19.03039799 0.16624498
0.00005597 0.00043895 -0.00106530
0.00628070 0.03126474 0.01650797
8.73102045 21.82950999 1.45301864
0.00082371 -0.00010761 0.00000541
-0.02828627 0.00095058 0.00977870
-10.53251663 12.11913688 16.83196406
-0.00016722 -0.00008762 -0.00109301
0.00064043 0.01221268 -0.00265035
-11.42234411 14.50824594 15.44357499
0.00074765 -0.00005981 0.00080998
-0.00636955 0.04779700 0.00747224
-5.99199806 0.02717503 -14.36920618
-0.00000802 0.00064202 -0.00047402
0.00083388 -0.00640805 -0.00466412
-6.81760924 0.22495658 -11.53058482
-0.00173581 0.00038953 0.00088294
-0.00740572 -0.00457349 0.00470106
-8.06151821 8.29833956 -6.59847211
0.00069230 -0.00012581 -0.00081657
0.00042877 -0.00298624 -0.00176628
-9.86732564 6.53417847 -5.21834035
0.00012329 0.00108640 0.00021045
0.01378916 0.00868339 -0.02622008
-7.62940083 -1.95899783 18.00577672
-0.00028713 0.00093601 -0.00035420
0.00039698 0.02389614 0.00025061
-7.18638534 -4.21194455 19.81617555
0.00049149 -0.00025161 0.00069367
-0.00523127 0.00114523 -0.01072271
-24.79974983 -6.38617397 -23.40662628
0.00058373 0.00052840 -0.00061315
0.01123549 0.01358764 -0.00375854
-21.74598736 -6.79633091 -23.65872170
0.00005718 -0.00067377 -0.00074997
-0.02931448 0.00610209 0.00118712
8.64743923 13.09918798 4.70527692
0.00012718 -0.00014237 0.00062475
-0.00134298 0.00106205 0.04495858
9.42286126 11.79954656 7.37270517
0.00063541 0.00074368 -0.00106351
0.01774585 -0.02344841 0.01608658
24.10947547 27.35284612 -2.52777165
0.00054244 0.00032148 -0.00024948
-0.02220782 0.01451348 -0.00572294
22.91291891 29.97147773 -1.60164556
-0.00084117 -0.00079496 0.00100142
-0.00286011 -0.01138048 -0.00964642
10.93110366 -0.80155720 -14.41319818
0.00031403 0.00053279 0.00048536
0.05096238 -0.01402460 0.01056506
8.30282341 -1.45400706 -14.68825718
0.00031840 0.00042627 -0.00002048
0.00070379 0.00621897 0.00812332
-9.76262513 -1.23496032 14.26718028
0.00005870 -0.00123898 -0.00021295
0.01234951 0.00997959 -0.02165097
-9.41015289 -2.72223642 11.88082165
-0.00013168 -0.00085378 0.00104643
-0.00238642 -0.03163355 -0.02026717
-3.18011512 -26.44197609 11.91864133
-0.00060233 -0.00030089 0.00007524
-0.00419655 -0.00742178 0.02632446
-3.38055953 -25.73923895 9.20611697
0.00009504 0.00025786 0.00028400
0.00885532 0.00381931 -0.00770176
-14.78640567 -2.47236440 -6.38837877
-0.00046609 0.00033144 -0.00063520
-0.00578013 -0.01509442 -0.01395208
-16.08677160 -3.72608901 -8.81287136
0.00027064 -0.00047936 -0.00024486
-0.00668228 0.00570305 -0.00480782
-18.93412392 -9.42772668 -19.21550591
-0.00010605 -0.00035831 -0.00030313
-0.02073863 -0.02727734 0.03424725
-18.19059686 -12.11550659 -19.02689025
0.00015647 0.00018262 -0.00042035
0.00147160 -0.02014379 0.00597664
22.59944570 5.93100672 3.73331685
-0.00054410 0.00119298 0.00094547
-0.00075065 0.01088821 0.00159074
20.25268676 6.77495984 5.51648337
0.00068503 0.00068970 -0.00046923
0.01542378 -0.00952794 -0.01466379
18.34397226 -10.88775793 -11.78875388
0.00088011 -0.00073542 0.00005770
0.02173440 -0.01948177 -0.03711152
18.69426155 -10.68368352 -14.72890711
0.00131204 -0.00021322 0.00007743
-0.00027665 0.00331155 -0.00026647
-1.78580397 0.73525070 -6.90065505
0.00053623 -0.00091988 0.00095686
0.00660459 0.02366517 -0.00498047
-4.75670701 0.51877797 -6.18130990
0.00004142 0.00089050 -0.00013133
0.00905318 0.00834832 0.00105952
-3.01494047 -4.50895949 -18.61756525
-0.00038960 -0.00035971 -0.00095180
-0.00786258 0.01545455 0.00936004
-3.66637851 -1.58864895 -18.54005113
-0.00017148 -0.00007537 0.00054798
0.00132781 -0.00149901 -0.00137120
13.82964539 17.73582245 -20.16547461
0.00016796 0.00045160 -0.00108879
0.00474025 0.01509377 0.01502573
12.53091399 15.88872242 -21.78472884
-0.00002303 0.00057338 0.00116434
0.01005547 -0.00596589 0.00039038
-13.94170098 17.15473260 -11.76377012
-0.00018333 -0.00029385 0.00014646
0.01792743 -0.01156117 0.03512322
-14.63918535 15.98339036 -14.37845302
0.00034363 -0.00016065 -0.00077487
0.00697177 0.02153388 0.02226725
2.02188565 15.74740997 6.34050065
0.00008189 0.00050887 -0.00012105
-0.01141193 0.01142485 -0.00408339
0.06226518 15.84126577 8.72388335
0.00048224 0.00025946 -0.00140035
-0.03553966 0.03074375 0.00732911
-4.77453774 -8.06512716 2.54749584
0.00118946 0.00081402 -0.00055564
-0.01351949 0.00372507 0.00422065
-3.19614981 -10.33471866 3.05526736
0.00063289 -0.00084626 -0.00047705
-0.00444804 0.00207951 0.00381840
1.26943774 -3.92850807 3.23265335
-0.00049872 0.00054628 0.00079606
-0.01646084 0.05174020 0.02007710
3.26832184 -4.46021300 1.02651563
0.00113832 0.00058437 -0.00078724
-0.01956459 -0.00028012 0.02109244
8.12688745 7.79442665 3.55900787
0.00056692 -0.00075035 0.00035544
0.02301855 -0.01258171 0.00530945
11.24759757 7.90112347 3.69757827
-0.00033498 -0.00026670 -0.00035538
-0.01603360 -0.00518800 0.01099536
-7.82521951 -11.26686229 -2.35976795
0.00015288 -0.00087863 0.00057435
0.02892432 -0.03378540 0.01692459
-10.41555930 -9.95102883 -1.22007603
0.00019943 -0.00009394 0.00031198
0.02150114 -0.00389087 -0.00939578
5.23384661 -15.95499006 -12.79072419
0.00012145 -0.00088667 -0.00173451
0.00206693 0.00142860 -0.01466088
2.71771170 -16.47986045 -11.72653093
-0.00034702 0.00149707 -0.00094201
-0.01707225 -0.00879066 0.00981650
4.72095913 -4.82405883 -4.48642087
-0.00109417 0.00072561 -0.00013771
0.00448162 0.00856682 -0.01854197
5.25095122 -6.69157563 -2.41474309
0.00001604 -0.00005815 0.00065228
-0.03101571 0.01775963 -0.01102244
16.71418920 2.63690093 24.36715635
-0.00000582 0.00006052 0.00095154
-0.00372296 -0.00309150 -0.00159135
19.40133923 3.12589964 25.52003316
-0.00041956 0.00031704 -0.00063922
-0.00847690 -0.00731994 -0.01325752
-9.64116646 0.85427664 1.47256131
0.00031268 -0.00051561 -0.00043237
0.00465889 -0.00128364 -0.00599642
-10.00707134 3.33738368 2.73402397
0.00003098 0.00011656 0.00025138
0.00311053 0.01143111 -0.00198616
-5.02155204 13.59105847 -8.56547463
-0.00003597 0.00031949 0.00004252
0.00327822 0.00793474 -0.00170192
-7.56218521 12.30872427 -8.94744450
-0.00034443 -0.00043449 -0.00038114
-0.01171990 -0.00523149 -0.00150817
1.40356306 11.80549053 -6.54158642
0.00035866 -0.00082423 -0.00057396
-0.01071857 -0.00531417 -0.01064873
1.96061984 14.43331591 -6.21941951
0.00086335 0.00088670 0.00014814
0.00795097 0.01494605 0.00058935
-10.70317767 8.27711519 -13.11294118
-0.00019579 -0.00027390 -0.00024502
-0.00972682 0.03732319 0.02546996
-11.79084482 10.04525509 -10.83952580
0.00039267 0.00019914 0.00051791
-0.00734482 -0.00920179 0.01351934
7.63590726 5.27024250 13.43086420
-0.00111260 -0.00016103 0.00093210
-0.01892641 0.01704610 -0.01501069
9.67748138 3.87113568 14.47240015
-0.00011602 -0.00066609 0.00034942
-0.00883739 -0.00748803 0.00553360
-14.21003325 11.09166427 -7.17288096
0.00012569 0.00180743 -0.00046190
0.00294030 -0.00494370 -0.01010124
-16.93194213 10.78711342 -7.94043421
0.00011381 -0.00029667 -0.00007479
-0.01342168 0.00452848 -0.00394627
9.26981348 9.31523832 -2.32079697
0.00023075 0.00069751 -0.00071243
-0.01018658 -0.01271526 -0.01785457
7.72396815 8.01351402 -4.59000984
0.00023215 0.00040039 0.00090272
-0.00944711 0.01485870 -0.01993611
14.47772883 -19.04980876 -27.41691610
-0.00007812 -0.00071575 0.00011572
-0.00019281 0.00237154 -0.00525084
13.42165929 -20.27100298 -25.04934829
0.00016402 0.00017224 0.00070439
0.01150829 -0.00626360 -0.01301318
4.92052619 5.03664908 2.11520328
0.00020510 0.00027591 -0.00084913
0.01099016 0.01294712 -0.00518578
5.51354876 7.01571318 -0.05884355
-0.00074476 -0.00050500 0.00109095
0.00349452 -0.00490964 0.00520391
19.96583662 -5.91760097 -6.92237888
0.00069601 0.00178415 -0.00015849
0.00481663 -0.00147684 0.00963991
17.12109792 -4.99990179 -6.21248701
-0.00086530 0.00033263 -0.00019790
0.02033743 -0.01113197 -0.01656569
-2.60645648 -0.75436253 -0.97233365
-0.00013954 0.00064461 0.00010440
0.00614027 -0.01037094 -0.01858433
-2.14053936 -1.64637497 -3.86442521
-0.00053756 -0.00030066 -0.00074419
-0.00856140 0.00545941 0.01778719
3.91975222 -3.44239366 -12.38675744
0.00016839 -0.00076469 -0.00067116
0.01824690 -0.02272004 -0.00370420
1.09795316 -2.84703622 -11.80760204
0.00009536 -0.00040556 -0.00002589
0.00548798 0.00326993 -0.00053988
19.82118462 8.56637061 -7.89044072
0.00034346 0.00042849 -0.00007326
-0.00262281 0.00611713 0.02786922
21.00540054 8.11966843 -5.16659779
0.00032368 -0.00062106 -0.00019774
-0.02544816 0.02039214 -0.01983341
-7.07485046 3.89307320 8.86842456
-0.00069430 0.00112609 -0.00038398
-0.00876104 0.02022398 -0.00047268
-7.03146897 6.49666392 10.32429724
0.00104654 -0.00065771 -0.00048123
-0.00733022 -0.00477868 -0.00864769
-2.05284714 -17.86639420 11.58761526
0.00064551 -0.00004113 -0.00017126
0.00192371 -0.01060801 0.00301069
-2.80756628 -15.63421229 9.96206714
-0.00018132 -0.00064494 -0.00035998
0.00188113 0.00460939 0.00118731
8.40918533 -0.47614830 -3.15394681
0.00048980 0.00076483 0.00012436
0.03232126 -0.00537202 0.05711465
7.58531714 1.36575263 -5.25107850
0.00041546 0.00041541 0.00002842
0.00250611 -0.01880834 -0.00315941
0.34988365 -11.88062306 1.89937153
-0.00002083 -0.00027939 0.00034369
-0.00714750 -0.00403063 -0.00353810
-1.02634413 -10.57833432 -0.26599487
-0.00080003 0.00018824 0.00015335
-0.00711043 -0.00110388 -0.00178734
-19.44861601 -1.32686133 6.84887845
0.00089795 0.00083308 0.00012623
0.00980974 -0.01065478 0.02765649
-21.37271559 0.51994997 5.97111039
-0.00046844 0.00041318 0.00008690
0.02249210 -0.01395083 -0.01693794
-5.08811252 8.13489444 -26.41126063
-0.00009676 0.00029576 -0.00209021
-0.00442056 0.00654464 -0.01473538
-5.20548253 7.59499373 -23.75949869
-0.00010211 0.00047756 0.00002766
-0.03425192 0.00503784 -0.01282934
4.20070727 1.71794318 -2.41206431
-0.00009527 0.00046062 0.00042753
-0.02240520 0.01194850 0.00670228
2.13657565 0.21146384 -1.43296706
-0.00045423 -0.00060794 0.00006350
-0.02094114 -0.00221868 0.00318687
14.94810968 7.61527329 5.83201837
0.00021008 0.00062816 0.00046471
-0.00494943 -0.01229920 0.01113137
15.48581962 9.75195421 4.13834093
-0.00060513 0.00020437 0.00004144
0.02623088 0.05987800 -0.00696345
1.55667168 -11.75800474 -13.91760418
0.00017414 0.00007274 -0.00014008
0.00739484 0.00639650 0.00359534
-13.56844471 14.65267685 22.77589077
-0.00002613 0.00013293 0.00014532
-0.00506655 -0.00082322 -0.00252933
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02434877
0.33536922
446.86266694
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1346673878
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3478589768 (a.u.)
total exchange computation time: 2.7105221748 s
-154.0284885371
-931.36220966
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1346673878
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3473926741 (a.u.)
total exchange computation time: 2.7130949497 s
-154.0332678174
Anderson extrapolation: theta=1.4023315262 (1.4023315262)
-931.36250401
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1346673878
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3466151975 (a.u.)
total exchange computation time: 2.7159130573 s
-154.0406079806
Anderson extrapolation: theta=0.0731086725 (0.0731086725)
-931.36269754
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1346673878
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3464594171 (a.u.)
total exchange computation time: 2.7137100697 s
-154.0417122679
Anderson extrapolation: theta=2.4198575809 (2.0000000000)
-931.36271045
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1346673878
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3461145221 (a.u.)
total exchange computation time: 2.7142300606 s
-154.0440174342
Anderson extrapolation: theta=0.4706110021 (0.4706110021)
-931.36272885
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1346673878
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3459545328 (a.u.)
total exchange computation time: 2.7154490948 s
-154.0449587616
Anderson extrapolation: theta=0.8913514137 (0.8913514137)
-931.36273494
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1346673878
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3458396898 (a.u.)
total exchange computation time: 2.7133920193 s
-154.0454993102
Anderson extrapolation: theta=0.5994204931 (0.5994204931)
-931.36273909
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1346673878
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3458035725 (a.u.)
total exchange computation time: 2.7121050358 s
-154.0455222036
Anderson extrapolation: theta=0.6703998415 (0.6703998415)
-931.36274090
-22.191284 -171.294015 -244.391420
-137.177270 457.882923 -805.312957
-159.368554 286.588908 -1049.704377
1099.732157
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1346673878
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3458060279 (a.u.)
total exchange computation time: 2.7125878334 s
678.53322484
-1083.24891140
89.77798754
-389.35590206
-174.72333460
78.01204376
551.60419304
0.00000000
-931.36274171
-9.19960551 -5.35030762 9.75894455
0.00020843 -0.00009172 0.00024116
-0.00137765 0.00408277 -0.00393714
-13.78912802 5.02679994 8.93943156
0.00011273 -0.00008576 -0.00011602
-0.00261605 0.01456247 0.00316118
-15.84321703 1.54862012 2.96395323
-0.00017399 -0.00013940 0.00015379
0.03065126 0.01674139 -0.01580904
2.38865481 -19.65768340 13.34149361
-0.00022728 0.00008934 0.00019008
0.02592909 -0.05289504 0.04199631
9.82710657 20.81811729 0.43882906
0.00037289 -0.00002821 -0.00025383
0.01895266 -0.03701184 -0.03215333
-11.20490754 12.79770480 15.20482013
-0.00017613 0.00001829 0.00010737
0.00442453 -0.05283140 -0.01404356
-5.99910846 1.09964806 -12.91964322
0.00016268 -0.00022366 0.00006902
0.00685107 0.00865039 0.00358282
-8.89976902 6.70839856 -6.84200069
0.00012837 0.00023450 0.00002303
-0.02567829 -0.01171795 0.01605597
-7.42692819 -3.73408095 18.03035092
0.00034623 -0.00024218 -0.00012537
0.00454028 -0.02408462 0.01146912
-23.44837314 -7.58206683 -23.57150563
-0.00031720 -0.00014637 -0.00036076
0.02007826 -0.01808544 -0.00495230
8.48165461 13.13552190 6.64070291
0.00040533 0.00039446 0.00018126
-0.02217078 0.03401823 -0.06324013
23.11543054 28.83945544 -3.07723373
-0.00030190 -0.00043972 0.00031970
0.01175546 0.00805279 0.01521541
9.42598577 0.03280196 -14.63419751
0.00026059 0.00025628 -0.00014323
-0.05144749 0.01111366 -0.02024649
-9.09682040 -1.09469492 12.51671495
-0.00017435 -0.00006390 -0.00039675
-0.01192696 0.01778534 0.04505105
-2.13986702 -25.92126438 10.53585056
-0.00007098 0.00002985 0.00001793
0.00108585 0.00136840 -0.02347340
-15.25716849 -4.10796830 -7.26758390
-0.00017276 0.00000284 -0.00022731
0.00861523 -0.01016046 0.00623587
-19.43120842 -11.03722973 -18.22552366
-0.00003604 -0.00005733 0.00002979
0.02329855 0.04514325 -0.04138459
21.13915945 5.38992932 4.67047037
-0.00045682 0.00017367 0.00010525
-0.01133083 -0.00077186 0.01539228
19.44812019 -11.57449242 -13.31396434
0.00055130 0.00029507 0.00020997
-0.02994628 0.01320575 0.03289869
-3.18815908 -0.32388342 -6.56218416
-0.00032809 -0.00021898 0.00011573
-0.00808381 -0.02493266 -0.00253987
-3.74929976 -3.16314531 -17.58161265
0.00030450 0.00015069 -0.00010852
0.00578727 -0.01277218 -0.00530371
14.25291651 16.41171434 -21.29696154
0.00011864 -0.00003653 -0.00015676
-0.00493730 -0.00711316 -0.01529415
-14.58293134 17.63639918 -13.32778786
0.00012663 0.00053783 -0.00018006
-0.02657963 -0.02037462 -0.05559079
1.41673815 15.09439303 7.90628658
-0.00029794 -0.00011142 -0.00032174
0.05318978 -0.04910425 -0.00961791
-4.39866461 -9.20631596 3.91867329
0.00019501 0.00011283 -0.00002968
0.01840618 -0.01320897 -0.01588884
2.10300903 -5.14164029 2.31725337
-0.00006178 -0.00008341 -0.00000762
0.04165623 -0.04126026 -0.03796958
9.66954876 7.17087554 4.42616950
-0.00008731 0.00022832 -0.00027221
0.00280278 0.00900381 -0.01125031
-9.26262821 -10.29290829 -2.64366091
-0.00022504 -0.00018349 0.00029636
-0.04978190 0.03620419 -0.00151803
3.43481357 -15.61170995 -13.12640308
-0.00020686 -0.00014048 0.00011454
0.02047100 0.01216211 -0.00895700
3.79143659 -5.69922011 -3.19542169
0.00021729 -0.00003910 0.00043295
0.02817377 -0.02938653 0.03003838
18.39515429 1.91435070 24.48241520
-0.00001783 -0.00015148 -0.00017472
0.01057370 -0.00077570 0.00989360
-8.89919305 2.53127935 1.52596705
-0.00029646 -0.00037253 0.00004411
-0.01060544 -0.00660786 0.00455449
-5.97507438 12.58729769 -9.79263818
0.00047591 -0.00042276 0.00012238
-0.00181688 -0.00442580 -0.00246194
1.61237993 13.29351411 -7.59061957
-0.00002577 0.00009449 0.00017334
0.00550598 -0.00844492 0.01532558
-11.12504973 10.05551638 -12.50170587
-0.00043655 -0.00006406 0.00001385
0.02016983 -0.02921215 -0.03573739
7.83496430 3.94539756 14.62381197
-0.00000795 -0.00028854 0.00004810
0.03074293 -0.01458032 0.01348894
-15.40006804 9.83804894 -7.84511129
0.00029466 0.00036961 0.00059624
0.01476900 0.00428911 0.01106887
8.61609349 7.74125177 -3.06885775
-0.00046389 -0.00032681 -0.00009567
0.02358963 -0.00163356 0.04830516
14.16989261 -20.71199847 -26.70660757
-0.00001119 0.00011212 0.00010108
-0.01504798 0.00934769 0.02472268
5.10488664 6.85152248 1.73280035
0.00014811 -0.00031417 0.00028349
-0.00896471 -0.00117424 0.00371074
18.26169503 -5.85859476 -7.52098420
-0.00020734 -0.00000599 0.00017115
-0.02220720 0.01449653 0.02201242
-1.95021625 -2.12958643 -2.05583113
-0.00004780 -0.00028819 0.00018722
-0.00113542 0.01080088 0.01062857
2.79412666 -2.10734500 -12.03238534
0.00001288 -0.00001406 0.00002819
-0.01788757 0.01281032 0.00873262
19.69469021 9.22041743 -6.10855393
0.00021251 -0.00032072 0.00023404
0.03135358 -0.03724676 -0.00751842
-7.64965950 5.73298116 8.75545324
-0.00018441 -0.00028317 -0.00042144
0.01412022 -0.00071538 0.01134537
-1.75493208 -16.10104412 11.38011354
0.00019086 -0.00008364 -0.00004434
-0.00633080 0.01013302 -0.00402084
7.60568121 -0.42834081 -4.69216479
0.00002434 0.00024512 -0.00032161
-0.02462680 0.05040332 -0.03034600
-1.03124953 -12.19892917 0.67602640
-0.00010617 -0.00023600 0.00009704
0.01097458 0.00804369 0.00553980
-19.97742164 -0.56504591 5.31187639
-0.00011012 0.00044069 0.00007225
-0.03610360 0.02994500 -0.01224617
-6.45534657 7.95486125 -25.16576454
-0.00005071 0.00021667 -0.00004180
0.06181211 -0.01019062 0.03761510
2.41032842 1.96515918 -1.85304943
-0.00033834 0.00008737 -0.00014697
0.04749329 -0.02162830 -0.00891707
14.67403047 8.22571516 4.13764548
-0.00031585 -0.00015339 -0.00001322
-0.02172226 -0.04470247 -0.00414367
-8.21214568 -6.80314436 10.26758660
-0.00021419 0.00096624 -0.00035456
-0.00072668 -0.00503774 -0.00352960
-10.26739288 -5.79590945 8.33468038
-0.00070959 0.00097244 0.00015488
0.00588079 -0.00607182 0.00794213
-13.10446848 5.97030437 7.48619831
-0.00016579 -0.00077661 -0.00079727
-0.00647860 -0.01065129 0.00164928
-13.76023653 3.25507173 8.51331986
0.00076641 0.00004431 0.00113978
0.00666665 -0.00366129 -0.00021314
-14.69224100 1.56189752 4.38164992
0.00033336 -0.00026984 -0.00114988
-0.00060826 0.00325181 0.00572023
-17.34247990 0.81902503 3.59118034
0.00063201 0.00039723 0.00024481
-0.03110437 -0.01636851 0.01563665
2.61630021 -21.52406727 12.77991103
-0.00062493 -0.00062153 0.00041329
-0.00219744 0.04954084 0.00782065
3.29534717 -19.63663247 15.08210058
0.00049790 -0.00076405 -0.00022298
-0.02730529 0.00167634 -0.05458915
9.19079499 19.03794035 0.15077128
0.00008094 0.00056363 -0.00099745
0.00593931 0.02976643 0.01670678
8.74250939 21.82792496 1.45339952
0.00070647 -0.00010281 0.00004648
-0.02910685 0.00140149 0.01032184
-10.53500531 12.11819689 16.81548765
-0.00016092 -0.00004289 -0.00109377
0.00244251 0.00967997 0.00227959
-11.41132456 14.50881341 15.45595361
0.00072211 0.00013598 0.00084048
-0.00613393 0.04804556 0.00745975
-5.99209280 0.03660893 -14.37645945
-0.00000563 0.00061380 -0.00049232
0.00033761 -0.00740522 -0.00429445
-6.84387330 0.23065937 -11.51719663
-0.00175860 0.00037547 0.00088817
-0.00374847 -0.00230965 -0.00214405
-8.05112053 8.29636086 -6.61077484
0.00069501 -0.00013559 -0.00082329
0.00089389 -0.00180066 -0.00152181
-9.86505377 6.55074049 -5.21598706
0.00018016 0.00112140 0.00010277
0.01404938 0.00845169 -0.02648793
-7.63369565 -1.94422545 18.00047138
-0.00028279 0.00101154 -0.00035210
0.00172957 0.01307791 0.00077844
-7.17917331 -4.21568354 19.82625208
0.00046854 -0.00024406 0.00064027
-0.00600423 0.00254939 -0.01542081
-24.79064964 -6.37783161 -23.41593869
0.00062608 0.00058648 -0.00062825
0.00949508 0.01484240 -0.00363343
-21.74602787 -6.80625044 -23.66993485
-0.00006313 -0.00064948 -0.00074486
-0.02958127 0.00578696 0.00131532
8.64930584 13.09708492 4.71602589
0.00012131 -0.00013621 0.00080251
-0.00153305 0.00195379 0.04205675
9.43293613 11.80998318 7.35724543
0.00071278 0.00064058 -0.00099150
0.02012911 -0.02701809 0.01916443
24.11693152 27.35811312 -2.53168918
0.00045357 0.00037681 -0.00027164
-0.02129163 0.01256654 -0.00512699
22.90021369 29.95920459 -1.58691987
-0.00085236 -0.00084349 0.00095773
-0.00261867 -0.01237323 -0.01173858
10.93737572 -0.79399512 -14.40559405
0.00052048 0.00047613 0.00052899
0.05009703 -0.01371153 0.01079076
8.30762092 -1.44742238 -14.68831539
0.00032035 0.00044978 0.00001267
0.00025339 0.00528734 0.00810374
-9.76136627 -1.25323920 14.26332260
0.00011011 -0.00119433 -0.00030108
0.01281703 0.01187559 -0.02149225
-9.41220116 -2.73601248 11.89589700
-0.00013895 -0.00097904 0.00096145
-0.00117474 -0.02968198 -0.02132929
-3.18927864 -26.44671692 11.92057657
-0.00061487 -0.00032924 0.00017701
-0.00194195 -0.00645396 0.02349208
-3.37886255 -25.73525408 9.21014104
0.00012835 0.00027433 0.00024915
0.00745072 0.00424574 -0.00935835
-14.79357414 -2.46785528 -6.39833427
-0.00048918 0.00026933 -0.00069149
-0.00552025 -0.01531301 -0.01360289
-16.08291683 -3.73310465 -8.81669154
0.00024093 -0.00045518 -0.00026900
-0.00785697 0.00613246 -0.00701012
-18.93635010 -9.43393721 -19.21900347
-0.00019101 -0.00046715 -0.00016340
-0.02085249 -0.02599829 0.03415351
-18.18820478 -12.11338449 -19.03301231
0.00016029 0.00010121 -0.00039390
0.00039960 -0.01970791 0.00697179
22.59126125 5.94923503 3.74754768
-0.00054338 0.00123528 0.00094918
0.00110016 0.00981774 0.00022215
20.26343483 6.78501336 5.50899553
0.00074215 0.00065383 -0.00052454
0.01253591 -0.00803174 -0.01241014
18.35783985 -10.89938617 -11.78902564
0.00096579 -0.00081145 -0.00009142
0.02020887 -0.01773447 -0.03588114
18.71393363 -10.68678033 -14.72775388
0.00130714 -0.00019552 0.00007224
-0.00212141 0.00535390 -0.00227229
-1.77755812 0.72217766 -6.88645472
0.00056177 -0.00082441 0.00093677
0.00589893 0.02306810 -0.00485441
-4.75580826 0.53239134 -6.18324745
0.00008050 0.00092301 -0.00012699
0.01007421 0.00756517 0.00106723
-3.02102539 -4.51388162 -18.63155550
-0.00042435 -0.00029010 -0.00090925
-0.00914696 0.01862236 0.01146896
-3.66891000 -1.58982538 -18.53187350
-0.00016517 -0.00007538 0.00053753
0.00176091 0.00149404 -0.00374447
13.83231003 17.74305895 -20.18134605
0.00018837 0.00051713 -0.00102439
0.00525256 0.01698355 0.01650138
12.53087665 15.89714025 -21.76725184
0.00001318 0.00054521 0.00116249
0.00767020 -0.00782199 -0.00129446
-13.94390160 17.14997051 -11.76049700
-0.00011379 -0.00033872 0.00028199
0.01611544 -0.01039825 0.03122216
-14.63381732 15.98164042 -14.38939371
0.00037224 -0.00006656 -0.00067979
0.00703509 0.02452512 0.02427261
2.02276435 15.75539312 6.33855974
0.00003534 0.00055355 -0.00013534
-0.01137819 0.01044392 -0.00291055
0.06840973 15.84609979 8.70310268
0.00032292 0.00039264 -0.00136128
-0.04244996 0.03444922 0.01179584
-4.75711008 -8.05280267 2.53929052
0.00113646 0.00082234 -0.00053120
-0.01242739 0.00034501 0.00774436
-3.18679275 -10.34734889 3.04822858
0.00060556 -0.00082927 -0.00045567
-0.00893072 0.00623830 0.00664638
1.26145258 -3.91872841 3.24520954
-0.00055384 0.00074165 0.00086521
-0.01052317 0.04389639 0.01377157
3.28479710 -4.45145611 1.01535338
0.00104581 0.00057655 -0.00068763
-0.02571851 -0.00354685 0.02766544
8.13609667 7.78278590 3.56450213
0.00064866 -0.00079601 0.00036955
0.01698972 -0.00977139 0.00159704
11.24208158 7.89696402 3.69258451
-0.00039666 -0.00028583 -0.00031230
-0.01416070 -0.00417758 0.01009268
-7.82203994 -11.28107702 -2.35063402
0.00025896 -0.00100875 0.00064033
0.02300343 -0.02991022 0.01537067
-10.41190903 -9.95255723 -1.21568427
0.00028271 -0.00010833 0.00027758
0.01926817 -0.00315236 -0.00744316
5.23573176 -15.96824637 -12.81719106
0.00012692 -0.00088150 -0.00179199
0.00060810 0.00110207 -0.01347780
2.71198318 -16.45767370 -11.74036030
-0.00042527 0.00144925 -0.00088178
-0.02123120 -0.01461929 0.01966867
4.70468395 -4.81291222 -4.48905473
-0.00107512 0.00075776 -0.00020995
0.00484450 0.00717210 -0.01681968
5.25024139 -6.69190368 -2.40529659
-0.00010862 0.00001530 0.00060540
-0.03000643 0.01819511 -0.01192714
16.71398775 2.63771405 24.38138071
-0.00002166 0.00004672 0.00094362
-0.00402954 -0.00366729 -0.00228609
19.39478612 3.13043090 25.51003856
-0.00045141 0.00028725 -0.00069196
-0.00711324 -0.00725965 -0.01255946
-9.63633354 0.84650316 1.46589205
0.00032948 -0.00052104 -0.00045540
0.00356617 -0.00137375 -0.00527669
-10.00651127 3.33948233 2.73773386
0.00004452 0.00015999 0.00024119
0.00351612 0.00982837 -0.00300490
-5.02199107 13.59609401 -8.56488901
-0.00002329 0.00035084 0.00003541
0.00292767 0.00741152 -0.00177655
-7.56771078 12.30204660 -8.95320780
-0.00038434 -0.00045390 -0.00039072
-0.00781744 -0.00427003 -0.00318282
1.40861457 11.79296426 -6.55052216
0.00031590 -0.00083922 -0.00061758
-0.01021221 -0.00202359 -0.01070211
1.97381374 14.44707434 -6.21717936
0.00089298 0.00093732 0.00014398
0.00655068 0.00983406 -0.00262492
-10.70641258 8.27415045 -13.11583604
-0.00023663 -0.00011884 -0.00013908
-0.01026649 0.03858007 0.02638912
-11.78517977 10.04796027 -10.83134284
0.00036394 0.00016090 0.00057005
-0.00672263 -0.00951917 0.01200131
7.61863834 5.26834939 13.44438579
-0.00118843 -0.00008746 0.00086791
-0.01819546 0.01896886 -0.01641175
9.67547026 3.86091480 14.47781104
-0.00015156 -0.00069468 0.00037010
-0.00855861 -0.00650370 0.00458757
-14.20805779 11.11862419 -7.18011901
0.00013403 0.00178212 -0.00050455
0.00114314 -0.00744243 -0.01077578
-16.93064625 10.78280215 -7.94167697
0.00005694 -0.00027722 -0.00009108
-0.01441691 0.00499403 -0.00402821
9.27296253 9.32531131 -2.33203060
0.00018615 0.00063512 -0.00078784
-0.01164534 -0.01782547 -0.01905926
7.72716097 8.01997520 -4.57707998
0.00018355 0.00046285 0.00080415
-0.01434431 0.01571576 -0.02831257
14.47655110 -19.06047227 -27.41534127
-0.00007731 -0.00069523 0.00009005
0.00058994 0.00766884 -0.00731492
13.42447222 -20.26861137 -25.03918124
0.00021341 0.00014581 0.00064568
0.01266945 -0.00667035 -0.01572524
4.92393944 5.04118446 2.10230738
0.00024792 0.00031819 -0.00086558
0.00997083 0.00774867 -0.00286421
5.50248445 7.00798772 -0.04231987
-0.00072689 -0.00052159 0.00109721
0.00525457 -0.00321195 -0.00214038
19.97642442 -5.89088390 -6.92446079
0.00070398 0.00177835 -0.00012262
-0.00091582 -0.00136273 0.00791685
17.10874166 -4.99525341 -6.21596306
-0.00078020 0.00028642 -0.00026556
0.02131724 -0.01149181 -0.01655617
-2.60836142 -0.74501121 -0.97133709
-0.00011161 0.00059570 0.00002418
0.00753099 -0.01356757 -0.02068786
-2.14886514 -1.65071756 -3.87504298
-0.00057175 -0.00028095 -0.00066124
-0.00817602 0.00418598 0.02281641
3.92283716 -3.45456016 -12.39693840
0.00023415 -0.00084594 -0.00068331
0.01394565 -0.01705336 -0.00224226
1.09955170 -2.85301949 -11.80800698
0.00011783 -0.00039114 -0.00002825
0.00551171 0.00379059 -0.00061571
19.82625617 8.57298548 -7.89068563
0.00033239 0.00045316 0.00004072
-0.00279760 0.00595479 0.02792732
21.00947598 8.11097746 -5.17017162
0.00021979 -0.00053766 -0.00027769
-0.02540747 0.02043039 -0.01930565
-7.08553336 3.91058432 8.86265043
-0.00072576 0.00119367 -0.00038653
-0.00664197 0.01285602 -0.00077734
-7.01599553 6.48665178 10.31681379
0.00101467 -0.00067706 -0.00051887
-0.00827033 -0.00469132 -0.00977789
-2.04310554 -17.86733622 11.58513857
0.00065348 -0.00008685 -0.00015817
0.00197882 -0.01177144 0.00339700
-2.81022847 -15.64374516 9.95670379
-0.00017025 -0.00062695 -0.00035135
0.00353670 0.00419640 0.00303607
8.41752272 -0.46484053 -3.15033125
0.00061487 0.00074234 0.00034440
0.02890040 -0.00563503 0.05059770
7.59162581 1.37140743 -5.25074906
0.00042456 0.00033839 0.00001445
0.00195014 -0.01889424 -0.00367638
0.34935216 -11.88493736 1.90441839
-0.00005172 -0.00029536 0.00032685
-0.00797194 -0.00378947 -0.00470220
-1.03856250 -10.57554460 -0.26374943
-0.00082796 0.00018042 0.00014804
-0.00655901 -0.00272276 -0.00081092
-19.43484621 -1.31469169 6.85161933
0.00093572 0.00079197 0.00023609
0.00867961 -0.00946556 0.02612269
-21.37905302 0.52572016 5.97189481
-0.00037418 0.00035407 0.00001760
0.02365061 -0.01498272 -0.01698239
-5.08969931 8.13953146 -26.44306538
-0.00012491 0.00032040 -0.00213462
-0.00936245 0.00551391 -0.00700386
-5.20806379 7.60231144 -23.75947693
-0.00023993 0.00049826 -0.00002712
-0.03321291 0.00509847 -0.01398695
4.19859160 1.72521870 -2.40544595
-0.00018704 0.00050834 0.00045476
-0.02251702 0.01140610 0.00662807
2.12912054 0.20227672 -1.43191687
-0.00053705 -0.00060581 0.00007343
-0.01960158 0.00326189 0.00167242
14.95110924 7.62431882 5.83933019
0.00018863 0.00057830 0.00050566
-0.00555294 -0.01210733 0.00890948
15.47754644 9.75685454 4.13874910
-0.00050126 0.00044413 0.00001187
0.02461363 0.05748959 -0.00750866
1.55930367 -11.75689654 -13.91969579
0.00017682 0.00007503 -0.00013878
0.00757518 0.00643380 0.00370683
-13.56884545 14.65466937 22.77806621
-0.00002727 0.00013273 0.00014474
-0.00479457 -0.00086463 -0.00252121
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02527046
0.33747125
449.66351624
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1346673878
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3420289753 (a.u.)
total exchange computation time: 2.7123398781 s
-154.0189957090
-931.36470763
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1346673878
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3417702572 (a.u.)
total exchange computation time: 2.7141191959 s
-154.0224086785
Anderson extrapolation: theta=1.3903273747 (1.3903273747)
-931.36497995
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1346673878
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3413688746 (a.u.)
total exchange computation time: 2.7133519650 s
-154.0274423996
Anderson extrapolation: theta=0.0716225467 (0.0716225467)
-931.36515573
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1346673878
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3413061805 (a.u.)
total exchange computation time: 2.7128820419 s
-154.0281048961
Anderson extrapolation: theta=2.3709452457 (2.0000000000)
-931.36516695
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1346673878
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3411755692 (a.u.)
total exchange computation time: 2.7122550011 s
-154.0294473245
Anderson extrapolation: theta=0.4366349218 (0.4366349218)
-931.36518250
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1346673878
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3411308550 (a.u.)
total exchange computation time: 2.7136631012 s
-154.0298966784
Anderson extrapolation: theta=0.9150176212 (0.9150176212)
-931.36518724
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1346673878
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3411143537 (a.u.)
total exchange computation time: 2.7150170803 s
-154.0300678926
Anderson extrapolation: theta=0.5492275168 (0.5492275168)
-931.36519051
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1346673878
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3411293271 (a.u.)
total exchange computation time: 2.7145779133 s
-154.0299315090
Anderson extrapolation: theta=0.6981416454 (0.6981416454)
-931.36519184
-22.145136 -171.233428 -244.431711
-137.153162 457.912794 -805.354578
-159.298298 286.679365 -1049.786289
1099.823740
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1346673878
ExchangeOperator: bisection time: 1.246 s
total exchange = -52.3411570000 (a.u.)
total exchange computation time: 2.7129631042 s
678.45570153
-1083.08961854
89.78780668
-389.46668246
-174.71124269
77.92378457
551.60419304
0.00000000
-931.36519248
-9.19648433 -5.35166771 9.76254684
0.00020597 -0.00008763 0.00023809
-0.00819002 0.01183141 -0.00800854
-13.78744711 5.02556971 8.93770346
0.00011133 -0.00007745 -0.00011443
-0.00282814 0.01775047 0.00300303
-15.84570866 1.54659365 2.96619917
-0.00015748 -0.00013014 0.00014392
0.03356222 0.01927938 -0.02257563
2.38534566 -19.65654737 13.34450686
-0.00021390 0.00006133 0.00021145
0.02609672 -0.05601596 0.04107358
9.83277300 20.81755134 0.43489755
0.00038276 -0.00004666 -0.00027035
0.01942500 -0.03472631 -0.03207075
-11.20753240 12.79777529 15.20637647
-0.00017452 -0.00000754 0.00009891
0.00185008 -0.04759462 -0.01884948
-5.99664181 1.09632648 -12.91859412
0.00016535 -0.00021973 0.00007244
0.00350892 0.00663306 0.00973743
-8.89794251 6.71187083 -6.84159332
0.00011510 0.00022826 0.00003107
-0.02594230 -0.01254139 0.01522939
-7.42171718 -3.73780652 18.02851457
0.00034834 -0.00025210 -0.00011861
0.00364303 -0.01451886 0.01482456
-23.45305374 -7.58433207 -23.57693612
-0.00030656 -0.00015590 -0.00036329
0.02132445 -0.01900586 -0.00487282
8.48764902 13.14157008 6.64317785
0.00039347 0.00041236 0.00014921
-0.02393439 0.03556902 -0.06140055
23.11094735 28.83289074 -3.07237957
-0.00029632 -0.00043470 0.00032772
0.00994742 0.01147585 0.01596815
9.42969614 0.03668902 -14.63642405
0.00023516 0.00026192 -0.00015356
-0.04741777 0.01083062 -0.01991137
-9.09948164 -1.09558482 12.51093753
-0.00018087 -0.00005602 -0.00037370
-0.01343222 0.01285012 0.04457450
-2.14092751 -25.92081133 10.53602899
-0.00007070 0.00003015 0.00000716
-0.00000695 -0.00021148 -0.01839756
-15.25972664 -4.10796496 -7.27096956
-0.00016818 -0.00000245 -0.00022374
0.00917606 -0.01038264 0.00766965
-19.43165922 -11.03791554 -18.22523645
-0.00002381 -0.00003485 0.00000843
0.02428804 0.04226659 -0.04168672
21.13226344 5.39253138 4.67210848
-0.00046222 0.00017308 0.00011283
-0.00967897 -0.00151659 0.01407350
19.45627420 -11.57001548 -13.31068794
0.00053684 0.00030090 0.00022682
-0.02630850 0.00946581 0.03262293
-3.19311167 -0.32726422 -6.56045793
-0.00033205 -0.00023129 0.00011436
-0.00729213 -0.02293837 -0.00281066
-3.74470999 -3.16093423 -17.58326093
0.00030765 0.00014265 -0.00011111
0.00645941 -0.01847442 -0.00476780
14.25467711 16.41113891 -21.29937187
0.00011658 -0.00003998 -0.00016444
-0.00310258 -0.00631043 -0.01458254
-14.58113447 17.64438806 -13.33070327
0.00011361 0.00052627 -0.00020763
-0.02405545 -0.02457253 -0.05159571
1.41247425 15.09253230 7.90142339
-0.00026931 -0.00013710 -0.00032787
0.05811952 -0.05075155 -0.01420589
-4.39566845 -9.20467440 3.91816674
0.00020521 0.00010585 -0.00003936
0.02125682 -0.01395207 -0.02173019
2.10224300 -5.14305065 2.31699261
-0.00004078 -0.00010161 -0.00002668
0.04000066 -0.02951048 -0.03612919
9.66824998 7.17433513 4.42204297
-0.00008468 0.00023185 -0.00027659
0.00739824 0.00472165 -0.00578643
-9.26619584 -10.29552102 -2.63922137
-0.00024837 -0.00016627 0.00029557
-0.04093524 0.03075340 -0.00157099
3.43178962 -15.61377019 -13.12471948
-0.00019480 -0.00013258 0.00010706
0.02644300 0.01854143 -0.02014817
3.79480458 -5.69992002 -3.18881158
0.00023137 -0.00005371 0.00044792
0.02657130 -0.02740707 0.02816759
18.39492765 1.91207543 24.47983264
-0.00001278 -0.00015179 -0.00016972
0.00905824 -0.00040904 0.00953050
-8.90368089 2.52566592 1.52664633
-0.00030176 -0.00037551 0.00004654
-0.00999680 -0.00497821 0.00489790
-5.96794277 12.58093922 -9.79081195
0.00047407 -0.00042516 0.00012167
-0.00531614 -0.00489299 -0.00031578
1.61201466 13.29489889 -7.58796042
-0.00002269 0.00009064 0.00018203
0.00644770 -0.00652945 0.01847040
-11.13152019 10.05444274 -12.50163597
-0.00042632 -0.00007911 -0.00000408
0.01959841 -0.02929045 -0.03397110
7.83496360 3.94101328 14.62458544
0.00000746 -0.00029650 0.00005541
0.02918487 -0.01640736 0.01497054
-15.39559123 9.84360960 -7.83612496
0.00030276 0.00037234 0.00060206
0.01674312 0.00635289 0.01156496
8.60922609 7.73634332 -3.07010648
-0.00045027 -0.00032670 -0.00006874
0.02937858 0.00207590 0.05642699
14.16966670 -20.71028057 -26.70499598
-0.00001938 0.00011566 0.00011490
-0.01678082 0.00440196 0.02901194
5.10707377 6.84680544 1.73706704
0.00014326 -0.00031374 0.00028676
-0.00990828 0.00281719 0.00898541
18.25849931 -5.85862866 -7.51833211
-0.00021742 0.00000151 0.00018278
-0.01698719 0.01466746 0.02325071
-1.95093762 -2.13386769 -2.05298178
-0.00004881 -0.00028165 0.00019197
-0.00279354 0.01463836 0.00783378
2.79425093 -2.10750645 -12.03192874
0.00000496 -0.00000915 0.00003227
-0.01294369 0.00629045 0.00713264
19.69799883 9.21546294 -6.10507227
0.00022842 -0.00033972 0.00023012
0.03050329 -0.03663370 -0.00773421
-7.65237115 5.72873091 8.74917538
-0.00017757 -0.00028137 -0.00041528
0.01246810 0.00768722 0.01262475
-1.75209356 -16.10225966 11.37943290
0.00018722 -0.00007817 -0.00004695
-0.00781536 0.01113740 -0.00612475
7.60595126 -0.42446966 -4.69710601
0.00001293 0.00027085 -0.00033486
-0.01972877 0.04967376 -0.02119073
-1.03279974 -12.20243819 0.67750340
-0.00010049 -0.00023147 0.00009989
0.01111199 0.00957955 0.00552074
-19.97921274 -0.55832009 5.31291283
-0.00012846 0.00045571 0.00006657
-0.03521102 0.02848146 -0.00982169
-6.45586882 7.95807202 -25.16624640
-0.00001812 0.00021175 -0.00002422
0.06492831 -0.00895869 0.03073663
2.40543657 1.96638631 -1.85528841
-0.00031442 0.00007501 -0.00015107
0.04550129 -0.02644541 -0.00703774
14.66920890 8.22324189 4.13743117
-0.00032605 -0.00017513 -0.00001466
-0.01792578 -0.03982942 -0.00143737
-8.21538087 -6.78880516 10.26216007
-0.00020739 0.00092954 -0.00036497
0.00405862 -0.01292444 -0.00156664
-10.27785655 -5.78150898 8.33724696
-0.00068168 0.00094769 0.00019164
0.00778019 -0.00604248 0.01005334
-13.10715380 5.95832878 7.47428977
-0.00019207 -0.00081997 -0.00078930
-0.00638909 -0.01057308 0.00225403
-13.74853611 3.25562417 8.53041001
0.00079341 0.00002289 0.00113719
0.00655290 -0.00682462 -0.00105623
-14.68725927 1.55794954 4.36457698
0.00033708 -0.00025625 -0.00111788
0.00242897 0.00340276 0.00994394
-17.33395295 0.82448196 3.59533171
0.00049310 0.00032486 0.00031376
-0.03689151 -0.01905673 0.01811217
2.60685888 -21.53187218 12.78634995
-0.00063443 -0.00041494 0.00044492
-0.00245077 0.05158717 0.00766439
3.30197896 -19.64804188 15.07708305
0.00038650 -0.00075537 -0.00044350
-0.02722548 0.00257196 -0.05335327
9.19219105 19.04730699 0.13632147
0.00010380 0.00068059 -0.00092925
0.00525365 0.02748370 0.01667687
8.75221449 21.82642582 1.45441298
0.00058758 -0.00009743 0.00008825
-0.02908766 0.00122943 0.01012815
-10.53734429 12.11785015 16.79915095
-0.00014682 -0.00000902 -0.00107363
0.00445940 0.00690220 0.00757960
-11.40068092 14.51232540 15.46878940
0.00069810 0.00032758 0.00087018
-0.00561543 0.04574070 0.00707775
-5.99216686 0.04558899 -14.38397592
-0.00000531 0.00058201 -0.00050849
-0.00018465 -0.00815376 -0.00361789
-6.87036709 0.23622061 -11.50393984
-0.00176597 0.00037094 0.00086552
0.00013857 0.00009248 -0.00894303
-8.04066806 8.29427181 -6.62317083
0.00069951 -0.00014070 -0.00082914
0.00131237 -0.00070153 -0.00133898
-9.86192085 6.56782049 -5.21525711
0.00023716 0.00115519 -0.00000450
0.01385029 0.00809012 -0.02602141
-7.63788449 -1.92865159 17.99521376
-0.00027290 0.00104320 -0.00034786
0.00310912 0.00242105 0.00129553
-7.17232925 -4.21926629 19.83538353
0.00044261 -0.00023119 0.00056894
-0.00668742 0.00374782 -0.01949216
-24.78096753 -6.36857962 -23.42547377
0.00066157 0.00064920 -0.00064285
0.00788117 0.01586208 -0.00351160
-21.74788130 -6.81581531 -23.68106739
-0.00018303 -0.00062614 -0.00073927
-0.02910788 0.00563780 0.00142089
8.65107849 13.09510160 4.72935235
0.00011476 -0.00012646 0.00096582
-0.00167140 0.00282108 0.03788184
9.44424464 11.81876397 7.34296021
0.00079812 0.00052550 -0.00090841
0.02164360 -0.02931676 0.02150766
24.12308270 27.36415027 -2.53592093
0.00036934 0.00042321 -0.00029101
-0.01993928 0.01014701 -0.00435559
22.88734799 29.94617315 -1.57291358
-0.00086258 -0.00089544 0.00090623
-0.00238371 -0.01306035 -0.01347067
10.94671804 -0.78727336 -14.39732860
0.00071840 0.00042322 0.00057265
0.04678799 -0.01218687 0.01058337
8.31243396 -1.44051366 -14.68787695
0.00032032 0.00046906 0.00004564
-0.00026943 0.00415108 0.00803147
-9.75932190 -1.27079026 14.25814775
0.00016264 -0.00114219 -0.00038725
0.01289554 0.01364555 -0.02068602
-9.41432142 -2.75160764 11.90966517
-0.00014082 -0.00109321 0.00087339
0.00026200 -0.02620369 -0.02177577
-3.19856117 -26.45185329 11.92395156
-0.00061756 -0.00035322 0.00026606
0.00062627 -0.00528542 0.02009732
-3.37670893 -25.73100899 9.21359156
0.00015577 0.00029252 0.00020768
0.00596980 0.00465708 -0.01094266
-14.80108094 -2.46428464 -6.40912344
-0.00051091 0.00020717 -0.00074583
-0.00511964 -0.01511382 -0.01299628
-16.07954359 -3.73974445 -8.82094134
0.00020686 -0.00042949 -0.00030135
-0.00882176 0.00644204 -0.00882674
-18.93985424 -9.44174107 -19.22040788
-0.00027567 -0.00056900 -0.00002538
-0.02058720 -0.02386131 0.03341001
-18.18578821 -12.11247021 -19.03870710
0.00015942 0.00002212 -0.00036327
-0.00082336 -0.01900715 0.00801998
22.58314422 5.96806502 3.76179212
-0.00053549 0.00127285 0.00094750
0.00276102 0.00857698 -0.00104203
20.27495117 6.79457465 5.50074713
0.00078675 0.00062501 -0.00057002
0.00929933 -0.00607460 -0.00984963
18.37294596 -10.91210129 -11.79149642
0.00104426 -0.00087971 -0.00023390
0.01820232 -0.01568281 -0.03386545
18.73347569 -10.68954902 -14.72673992
0.00129491 -0.00016969 0.00005902
-0.00386202 0.00729071 -0.00419758
-1.76895074 0.71051838 -6.87255191
0.00058293 -0.00073262 0.00091752
0.00445817 0.02186278 -0.00456726
-4.75429211 0.54646835 -6.18511959
0.00012351 0.00095223 -0.00012260
0.01098161 0.00673780 0.00108270
-3.02767090 -4.51766245 -18.64484286
-0.00046362 -0.00020875 -0.00085890
-0.01007622 0.02119903 0.01317753
-3.67133358 -1.59091024 -18.52392535
-0.00015719 -0.00006311 0.00051748
0.00214404 0.00450825 -0.00606957
13.83529658 17.75133630 -20.19620618
0.00021120 0.00058885 -0.00095533
0.00592258 0.01812571 0.01730411
12.53130939 15.90507870 -21.74985417
0.00003926 0.00050956 0.00115392
0.00509375 -0.00962748 -0.00290222
-13.94511457 17.14457115 -11.75531039
-0.00005286 -0.00037768 0.00039846
0.01370830 -0.00867692 0.02578962
-14.62801813 15.98139352 -14.39884683
0.00040091 0.00003828 -0.00057770
0.00699833 0.02679472 0.02570475
2.02294573 15.76401633 6.33644046
-0.00001096 0.00059400 -0.00014487
-0.01128301 0.00935938 -0.00175226
0.07195269 15.85304507 8.68304493
0.00013928 0.00053886 -0.00130628
-0.04744250 0.03712643 0.01512852
-4.74044405 -8.04045704 2.53155983
0.00108775 0.00081698 -0.00049268
-0.01141438 -0.00296670 0.01111318
-3.17798302 -10.35959681 3.04159712
0.00056103 -0.00079613 -0.00042353
-0.01286553 0.00998591 0.00908975
1.25282250 -3.90625850 3.25860973
-0.00058343 0.00090281 0.00090711
-0.00396031 0.03499115 0.00673684
3.29969618 -4.44291658 1.00588664
0.00093051 0.00055645 -0.00056381
-0.03072319 -0.00629192 0.03294714
8.14634712 7.77054630 3.57009427
0.00070379 -0.00082956 0.00036749
0.01000069 -0.00665168 -0.00260211
11.23569774 7.89254854 3.68820930
-0.00044973 -0.00030044 -0.00027338
-0.01181815 -0.00297481 0.00895694
-7.81745057 -11.29712483 -2.34055808
0.00033863 -0.00112132 0.00069903
0.01599333 -0.02519116 0.01336549
-10.40707789 -9.95427882 -1.21174868
0.00035822 -0.00012024 0.00025057
0.01769131 -0.00267612 -0.00577917
5.23765417 -15.98143514 -12.84448394
0.00012619 -0.00087770 -0.00184424
-0.00096699 0.00075721 -0.01209794
2.70495349 -16.43638292 -11.75298426
-0.00052054 0.00137717 -0.00078057
-0.02540303 -0.02066662 0.02987212
4.68870567 -4.80132607 -4.49271940
-0.00105532 0.00078332 -0.00027380
0.00484687 0.00534161 -0.01443291
5.24769258 -6.69111661 -2.39658105
-0.00022760 0.00008946 0.00055571
-0.02823583 0.01810687 -0.01239867
16.71353935 2.63830241 24.39546498
-0.00003842 0.00003042 0.00093288
-0.00417358 -0.00430804 -0.00296985
19.38779706 3.13451725 25.49927423
-0.00047719 0.00025830 -0.00074137
-0.00551017 -0.00691246 -0.01162376
-9.63128206 0.83864550 1.45889940
0.00034233 -0.00052648 -0.00047532
0.00272156 -0.00128998 -0.00447751
-10.00573571 3.34218332 2.74125960
0.00005970 0.00019677 0.00022686
0.00391548 0.00817852 -0.00400619
-5.02225066 13.60158378 -8.56441226
-0.00001235 0.00037974 0.00002774
0.00242591 0.00673551 -0.00197853
-7.57371545 12.29510723 -8.95916615
-0.00040793 -0.00046925 -0.00040710
-0.00373117 -0.00324195 -0.00483285
1.41304020 11.78031398 -6.56011380
0.00027527 -0.00084084 -0.00066110
-0.00967910 0.00122881 -0.01060063
1.98740909 14.46143547 -6.21510007
0.00091676 0.00096686 0.00012683
0.00509209 0.00462643 -0.00576948
-10.71027667 8.27355014 -13.11711362
-0.00027915 0.00003914 -0.00003040
-0.01054696 0.03874873 0.02681167
-11.77992672 10.05008206 -10.82242436
0.00033824 0.00012155 0.00061456
-0.00585651 -0.00974289 0.00978717
7.60025429 5.26761880 13.45690156
-0.00126075 -0.00000798 0.00079972
-0.01720675 0.01993680 -0.01696652
9.67293461 3.85029534 14.48350309
-0.00018525 -0.00071913 0.00038676
-0.00793305 -0.00546497 0.00357070
-14.20601226 11.14512800 -7.18801746
0.00013527 0.00174687 -0.00054963
-0.00053619 -0.00981476 -0.01129180
-16.93023394 10.77879694 -7.94316660
-0.00000282 -0.00025651 -0.00010760
-0.01483558 0.00514095 -0.00405775
9.27539788 9.33429184 -2.34443231
0.00013616 0.00055340 -0.00086713
-0.01282471 -0.02217417 -0.01975137
7.72947468 8.02739953 -4.56588530
0.00011610 0.00052850 0.00067338
-0.01867195 0.01641907 -0.03570112
14.47540952 -19.07066580 -27.41421475
-0.00007336 -0.00065332 0.00005601
0.00134339 0.01285045 -0.00934759
13.42806160 -20.26662856 -25.02997793
0.00026690 0.00011811 0.00057710
0.01351616 -0.00689031 -0.01784511
4.92796376 5.04619473 2.08923595
0.00028641 0.00033810 -0.00087236
0.00886909 0.00199813 -0.00045527
5.49174218 7.00006541 -0.02592736
-0.00070185 -0.00053104 0.00107278
0.00700114 -0.00141465 -0.00981570
19.98695609 -5.86425035 -6.92605750
0.00068824 0.00177263 -0.00009387
-0.00678812 -0.00144024 0.00615553
17.09769186 -4.99130933 -6.22045378
-0.00069200 0.00023934 -0.00033229
0.02185737 -0.01155012 -0.01610859
-2.60980483 -0.73649139 -0.97160840
-0.00007861 0.00053487 -0.00006344
0.00862199 -0.01621145 -0.02219870
-2.15769199 -1.65480360 -3.88426241
-0.00060433 -0.00026623 -0.00055920
-0.00777024 0.00302097 0.02713190
3.92677677 -3.46777179 -12.40725678
0.00028165 -0.00090314 -0.00068914
0.00930433 -0.01094574 -0.00061148
1.10148803 -2.85877045 -11.80844967
0.00014003 -0.00037479 -0.00003086
0.00535333 0.00421125 -0.00066084
19.83115627 8.57996529 -7.88921898
0.00032066 0.00047673 0.00015340
-0.00294136 0.00558694 0.02722691
21.01199430 8.10353859 -5.17492861
0.00011718 -0.00045502 -0.00035461
-0.02482254 0.02002468 -0.01834439
-7.09662333 3.92888334 8.85682865
-0.00074793 0.00122891 -0.00039025
-0.00420801 0.00439375 -0.00104212
-7.00102894 6.47635212 10.30873109
0.00097919 -0.00069569 -0.00056049
-0.00909668 -0.00442796 -0.01059575
-2.03324266 -17.86899967 11.58287008
0.00066180 -0.00013631 -0.00014373
0.00209285 -0.01243941 0.00367122
-2.81267390 -15.65302085 9.95152651
-0.00015261 -0.00061064 -0.00033542
0.00510239 0.00378664 0.00476484
8.42763129 -0.45387811 -3.14361475
0.00072358 0.00071885 0.00053349
0.02431566 -0.00586356 0.04196425
7.59805399 1.37590427 -5.25064493
0.00043142 0.00026221 -0.00000176
0.00140652 -0.01839467 -0.00425768
0.34833211 -11.88948391 1.90917708
-0.00008550 -0.00031020 0.00030561
-0.00856618 -0.00347551 -0.00569622
-1.05118285 -10.57292174 -0.26155368
-0.00085348 0.00016608 0.00014669
-0.00593563 -0.00429783 0.00014809
-19.42054447 -1.30310215 6.85596116
0.00096801 0.00075672 0.00033766
0.00712770 -0.00779295 0.02359505
-21.38394098 0.53057211 5.97163845
-0.00027667 0.00029194 -0.00005114
0.02407942 -0.01543034 -0.01666514
-5.09185990 8.14450641 -26.47529937
-0.00017192 0.00034095 -0.00214792
-0.01364709 0.00454719 0.00049473
-5.21268054 7.60994162 -23.76031237
-0.00037204 0.00051876 -0.00008511
-0.03145535 0.00493379 -0.01439781
4.19509595 1.73319325 -2.39842138
-0.00027773 0.00055348 0.00048123
-0.02187578 0.01069277 0.00632938
2.12046413 0.19328951 -1.43076418
-0.00061422 -0.00058170 0.00007721
-0.01817524 0.00854287 0.00017888
14.95376848 7.63262234 5.84718804
0.00016471 0.00052965 0.00053682
-0.00615276 -0.01170816 0.00634766
15.47078174 9.76527819 4.13869710
-0.00040681 0.00066844 -0.00001965
0.02161939 0.05230819 -0.00792375
1.56197634 -11.75575379 -13.92176750
0.00017956 0.00007734 -0.00013743
0.00774247 0.00646287 0.00379576
-13.56926288 14.65665888 22.78023287
-0.00002839 0.00013253 0.00014415
-0.00483168 -0.00090128 -0.00249761
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02523040
0.33996208
452.98243373
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1349269876
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3382480362 (a.u.)
total exchange computation time: 2.7593290806 s
-154.0050357235
-931.36751832
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1349269876
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3379758347 (a.u.)
total exchange computation time: 2.7627060413 s
-154.0083061429
Anderson extrapolation: theta=1.3643784349 (1.3643784349)
-931.36778307
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1349269876
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3375173154 (a.u.)
total exchange computation time: 2.7593050003 s
-154.0133030935
Anderson extrapolation: theta=0.0606040326 (0.0606040326)
-931.36794791
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1349269876
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3374175053 (a.u.)
total exchange computation time: 2.7591938972 s
-154.0141089749
Anderson extrapolation: theta=2.1669712223 (2.0000000000)
-931.36795647
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1349269876
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3371937852 (a.u.)
total exchange computation time: 2.7615320683 s
-154.0158264825
Anderson extrapolation: theta=0.3325940237 (0.3325940237)
-931.36796774
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1349269876
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3371173381 (a.u.)
total exchange computation time: 2.7590808868 s
-154.0163359475
Anderson extrapolation: theta=1.3339983340 (1.3339983340)
-931.36797083
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1349269876
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3370371178 (a.u.)
total exchange computation time: 2.7594501972 s
-154.0167816982
Anderson extrapolation: theta=0.4130288882 (0.4130288882)
-931.36797403
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1349269876
ExchangeOperator: bisection time: 1.246 s
total exchange = -52.3370278818 (a.u.)
total exchange computation time: 2.7589039803 s
-154.0167330995
Anderson extrapolation: theta=0.9452624815 (0.9452624815)
-931.36797516
-22.103750 -171.176544 -244.461789
-137.132257 457.945465 -805.396059
-159.236007 286.768920 -1049.857848
1099.906369
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1349269876
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3370378559 (a.u.)
total exchange computation time: 2.7587947845 s
678.38365725
-1082.94199016
89.79647313
-389.56897584
-174.70010247
77.84275919
551.60419304
0.00000000
-931.36797595
-9.19342634 -5.35293654 9.76608734
0.00020002 -0.00007951 0.00023298
-0.01495371 0.01973198 -0.01187107
-13.78578803 5.02447642 8.93599852
0.00010980 -0.00006762 -0.00011293
-0.00312287 0.02047454 0.00283790
-15.84794138 1.54471591 2.96827095
-0.00013984 -0.00011975 0.00013075
0.03504010 0.02113616 -0.02864942
2.38223785 -19.65584349 13.34783698
-0.00020061 0.00003201 0.00023209
0.02559106 -0.05798815 0.03920210
9.83858928 20.81671750 0.43071862
0.00039282 -0.00006355 -0.00028661
0.01969016 -0.03097263 -0.03117199
-11.21014300 12.79747861 15.20778739
-0.00017430 -0.00003007 0.00008802
-0.00102062 -0.04000372 -0.02349515
-5.99414808 1.09305608 -12.91746991
0.00016633 -0.00021682 0.00007885
0.00032349 0.00468948 0.01516519
-8.89631612 6.71524635 -6.84106845
0.00010181 0.00022166 0.00003854
-0.02571461 -0.01311813 0.01381320
-7.41647806 -3.74164409 18.02679259
0.00035002 -0.00025723 -0.00011034
0.00291292 -0.00541386 0.01733145
-23.45756983 -7.58674393 -23.58240420
-0.00029551 -0.00016589 -0.00036577
0.02163741 -0.01981089 -0.00477539
8.49345879 13.14789266 6.64517910
0.00038096 0.00043069 0.00011862
-0.02473754 0.03572264 -0.05752175
23.10654090 28.82641457 -3.06740223
-0.00029175 -0.00042790 0.00033599
0.00783210 0.01496647 0.01619590
9.43304070 0.04065964 -14.63880420
0.00021237 0.00026721 -0.00016361
-0.04121965 0.00974580 -0.01916525
-9.10224652 -1.09637559 12.50550399
-0.00018814 -0.00005093 -0.00035118
-0.01482685 0.00693732 0.04300860
-2.14198806 -25.92035990 10.53606548
-0.00007103 0.00002960 -0.00000094
-0.00128157 -0.00191384 -0.01311888
-15.26221401 -4.10804172 -7.27429605
-0.00016341 -0.00000790 -0.00021960
0.00938628 -0.01081457 0.00843653
-19.43192264 -11.03827529 -18.22527083
-0.00001112 -0.00001411 -0.00001294
0.02503367 0.03839088 -0.04142209
21.12529276 5.39512174 4.67385517
-0.00046665 0.00017205 0.00011963
-0.00755532 -0.00249110 0.01238304
19.46422526 -11.56546552 -13.30715987
0.00052436 0.00030478 0.00024327
-0.02221948 0.00564969 0.03136888
-3.19812052 -0.33082199 -6.55875339
-0.00033540 -0.00024245 0.00011281
-0.00574999 -0.02046275 -0.00321428
-3.74007038 -3.15886567 -17.58494600
0.00031106 0.00013188 -0.00011335
0.00683072 -0.02342699 -0.00393237
14.25641379 16.41051480 -21.30189469
0.00011545 -0.00004285 -0.00017161
-0.00127425 -0.00484983 -0.01329632
-14.57952319 17.65218737 -13.33401672
0.00010199 0.00051260 -0.00023273
-0.02112256 -0.02858270 -0.04601088
1.40865873 15.09028004 7.89645061
-0.00023878 -0.00016327 -0.00033596
0.06062494 -0.05101438 -0.01728777
-4.39250831 -9.20314046 3.91749256
0.00021675 0.00009855 -0.00005186
0.02362851 -0.01442560 -0.02688267
2.10178557 -5.14468867 2.31645312
-0.00002095 -0.00011381 -0.00004442
0.03711511 -0.01790999 -0.03286833
9.66700828 7.17783116 4.41787180
-0.00007960 0.00023309 -0.00027801
0.01235289 0.00008603 0.00024813
-9.27007926 -10.29789650 -2.63479395
-0.00026697 -0.00015199 0.00029469
-0.03139576 0.02480844 -0.00183813
3.42896968 -15.61568739 -13.12319131
-0.00017974 -0.00012158 0.00009398
0.03208910 0.02423282 -0.03072718
3.79837756 -5.70083137 -3.18198417
0.00024450 -0.00006707 0.00046166
0.02449744 -0.02456066 0.02526297
18.39477088 1.90979701 24.47732360
-0.00000860 -0.00015196 -0.00016496
0.00720180 -0.00027075 0.00896944
-8.90824585 2.52001408 1.52736339
-0.00030672 -0.00037763 0.00004914
-0.00927540 -0.00327593 0.00520255
-5.96085217 12.57454300 -9.78898815
0.00047044 -0.00042778 0.00012204
-0.00882592 -0.00532450 0.00177722
1.61169914 13.29623330 -7.58515879
-0.00001913 0.00008778 0.00019224
0.00739353 -0.00457625 0.02123900
-11.13783945 10.05314314 -12.50182815
-0.00041650 -0.00009395 -0.00002084
0.01860919 -0.02842365 -0.03120434
7.83518805 3.93650243 14.62547441
0.00002191 -0.00030516 0.00006328
0.02701051 -0.01725543 0.01561284
-15.39098525 9.84921926 -7.82704940
0.00031168 0.00037617 0.00060809
0.01795742 0.00853394 0.01187223
8.60258533 7.73145088 -3.07091989
-0.00043400 -0.00032483 -0.00003816
0.03391213 0.00516576 0.06250090
14.16931132 -20.70852870 -26.70316056
-0.00002835 0.00011670 0.00013074
-0.01812542 -0.00036103 0.03257279
5.10918445 6.84211014 1.74140305
0.00013795 -0.00031119 0.00029273
-0.01073607 0.00712701 0.01422417
18.25517254 -5.85854940 -7.51550066
-0.00022468 0.00000896 0.00019486
-0.01126572 0.01431212 0.02369324
-1.95168053 -2.13803602 -2.05007200
-0.00005060 -0.00027331 0.00019532
-0.00415605 0.01780181 0.00520308
2.79427535 -2.10761937 -12.03141712
-0.00000037 -0.00000758 0.00003550
-0.00776236 -0.00020692 0.00539626
19.70154277 9.21022582 -6.10165028
0.00024374 -0.00035824 0.00022616
0.02907398 -0.03539784 -0.00766227
-7.65498662 5.72453997 8.74299492
-0.00017168 -0.00027507 -0.00040856
0.01044292 0.01682306 0.01350513
-1.74931535 -16.10338927 11.37870501
0.00018284 -0.00007233 -0.00005056
-0.00923773 0.01159539 -0.00791713
7.60606910 -0.42021529 -4.70221072
0.00000421 0.00029605 -0.00034307
-0.01417036 0.04833287 -0.01070213
-1.03426423 -12.20587332 0.67902300
-0.00009481 -0.00022619 0.00010268
0.01095814 0.01096658 0.00535563
-19.98127550 -0.55137455 5.31387351
-0.00014607 0.00046975 0.00006226
-0.03325834 0.02608940 -0.00694725
-6.45589016 7.96121368 -25.16649114
0.00001571 0.00020750 -0.00001025
0.06664182 -0.00756134 0.02360268
2.40089576 1.96740942 -1.85758168
-0.00029172 0.00006030 -0.00015419
0.04278364 -0.03073115 -0.00507640
14.66424903 8.22046136 4.13720578
-0.00033403 -0.00019383 -0.00001468
-0.01309946 -0.03289728 0.00134016
-8.21836731 -6.77525806 10.25663752
-0.00018071 0.00086041 -0.00036724
0.00900160 -0.02091718 0.00045610
-10.28784341 -5.76747883 8.34042966
-0.00064638 0.00092292 0.00023647
0.00949938 -0.00608121 0.01189201
-13.11023068 5.94570521 7.46251937
-0.00021778 -0.00086272 -0.00077915
-0.00619235 -0.01035393 0.00271352
-13.73643409 3.25575835 8.54743543
0.00082003 -0.00001075 0.00113154
0.00647678 -0.00964021 -0.00170584
-14.68212867 1.55421010 4.34811347
0.00035241 -0.00024196 -0.00107027
0.00507696 0.00358866 0.01336045
-17.32768695 0.82877097 3.60059310
0.00033356 0.00024299 0.00039173
-0.04120412 -0.02102340 0.02005752
2.59726735 -21.53651550 12.79325860
-0.00064477 -0.00020195 0.00047535
-0.00261132 0.05267091 0.00723241
3.30694220 -19.65929366 15.06879570
0.00027668 -0.00074299 -0.00065673
-0.02653350 0.00348831 -0.05102568
9.19390908 19.05835800 0.12289373
0.00012340 0.00078659 -0.00086160
0.00434032 0.02440607 0.01644004
8.76013691 21.82500203 1.45604715
0.00047004 -0.00009368 0.00012808
-0.02845031 0.00060614 0.00936867
-10.53940998 12.11792642 16.78327877
-0.00012426 0.00001323 -0.00103144
0.00658536 0.00398516 0.01307379
-11.39038143 14.51864067 15.48205897
0.00067660 0.00050520 0.00089756
-0.00491017 0.04120811 0.00632722
-5.99225223 0.05406933 -14.39171411
-0.00000712 0.00054776 -0.00052141
-0.00069906 -0.00861599 -0.00270637
-6.89685239 0.24178752 -11.49123113
-0.00175781 0.00037545 0.00081628
0.00385775 0.00211499 -0.01515731
-8.03013516 8.29213976 -6.63564889
0.00070560 -0.00014160 -0.00083438
0.00166729 0.00026189 -0.00123074
-9.85793911 6.58539629 -5.21612191
0.00029248 0.00118734 -0.00010847
0.01322923 0.00764660 -0.02487717
-7.64188277 -1.91292934 17.99003553
-0.00025742 0.00103274 -0.00034160
0.00446903 -0.00754394 0.00177148
-7.16589504 -4.22261935 19.84332037
0.00041433 -0.00021408 0.00048230
-0.00715585 0.00462837 -0.02292041
-24.77080242 -6.35835550 -23.43522407
0.00069090 0.00071551 -0.00065699
0.00647299 0.01659327 -0.00341047
-21.75151865 -6.82503465 -23.69211285
-0.00029960 -0.00060309 -0.00073331
-0.02795690 0.00564478 0.00149558
8.65274871 13.09329118 4.74500045
0.00010777 -0.00011329 0.00110963
-0.00175239 0.00362445 0.03251589
9.45687960 11.82574804 7.32999311
0.00088765 0.00040385 -0.00081727
0.02218559 -0.03022990 0.02310640
24.12801187 27.37080930 -2.54041961
0.00029140 0.00045889 -0.00030692
-0.01821503 0.00732085 -0.00343138
22.87433619 29.93234128 -1.55973286
-0.00087188 -0.00094962 0.00084842
-0.00216619 -0.01345797 -0.01482869
10.95892781 -0.78129849 -14.38841454
0.00089870 0.00037851 0.00061478
0.04146870 -0.00969842 0.01003910
8.31723049 -1.43335053 -14.68694630
0.00031810 0.00048333 0.00007834
-0.00081680 0.00283314 0.00797818
-9.75648722 -1.28750504 14.25170513
0.00021486 -0.00108310 -0.00046868
0.01266866 0.01528337 -0.01917310
-9.41642563 -2.76880872 11.92209878
-0.00013643 -0.00119093 0.00078424
0.00188296 -0.02163009 -0.02186350
-3.20780532 -26.45731358 11.92855823
-0.00060943 -0.00037219 0.00034053
0.00335065 -0.00399901 0.01636060
-3.37418946 -25.72647850 9.21637146
0.00017710 0.00031235 0.00015999
0.00446942 0.00505242 -0.01240232
-14.80890149 -2.46164027 -6.42070910
-0.00053078 0.00014657 -0.00079725
-0.00460811 -0.01454643 -0.01217680
-16.07671100 -3.74598945 -8.82573209
0.00016932 -0.00040279 -0.00034023
-0.00955616 0.00662717 -0.01020247
-18.94462010 -9.45100731 -19.21976473
-0.00035856 -0.00066055 0.00010842
-0.01999041 -0.02095016 0.03208191
-18.18342210 -12.11272081 -19.04391038
0.00015337 -0.00005373 -0.00032831
-0.00214182 -0.01812346 0.00909241
22.57519640 5.98742067 3.77597270
-0.00052129 0.00130503 0.00094093
0.00419420 0.00717261 -0.00217221
20.28703743 6.80376365 5.49189507
0.00081761 0.00060498 -0.00060457
0.00580319 -0.00372972 -0.00706672
18.38916762 -10.92577754 -11.79604268
0.00111351 -0.00093903 -0.00036654
0.01569539 -0.01335276 -0.03106236
18.75278107 -10.69187089 -14.72598321
0.00127587 -0.00013628 0.00003832
-0.00545807 0.00906176 -0.00593421
-1.76007014 0.70019898 -6.85892900
0.00059697 -0.00064672 0.00089967
0.00241401 0.02018828 -0.00417361
-4.75210294 0.56095829 -6.18692538
0.00017000 0.00097802 -0.00011813
0.01177564 0.00588612 0.00110317
-3.03493394 -4.52014408 -18.65732262
-0.00050599 -0.00011810 -0.00080242
-0.01066537 0.02317377 0.01447082
-3.67362575 -1.59171881 -18.51634919
-0.00014777 -0.00003876 0.00048821
0.00246895 0.00741418 -0.00825648
13.83864611 17.76072451 -20.21000582
0.00023705 0.00066369 -0.00088431
0.00673074 0.01851041 0.01745832
12.53205431 15.91242712 -21.73263437
0.00005453 0.00046665 0.00113902
0.00238114 -0.01138021 -0.00438957
-13.94548740 17.13864001 -11.74854323
-0.00000253 -0.00040874 0.00049064
0.01092865 -0.00652637 0.01933404
-14.62179003 15.98278877 -14.40672461
0.00042924 0.00015107 -0.00047077
0.00687202 0.02841588 0.02663486
2.02243561 15.77321314 6.33421379
-0.00005672 0.00062990 -0.00014983
-0.01111912 0.00821459 -0.00068035
0.07258808 15.86226569 8.66391435
-0.00006002 0.00069336 -0.00124042
-0.05011605 0.03850267 0.01710855
-4.72447756 -8.02829322 2.52451022
0.00104292 0.00079847 -0.00044093
-0.01052951 -0.00609298 0.01421640
-3.16996177 -10.37123272 3.03552275
0.00050161 -0.00074862 -0.00038222
-0.01622203 0.01327009 0.01113178
1.24394970 -3.89164411 3.27242280
-0.00058599 0.00102691 0.00091992
0.00270541 0.02575776 -0.00046549
3.31271234 -4.43476267 0.99843910
0.00079692 0.00052613 -0.00042082
-0.03466884 -0.00854983 0.03704836
8.15721048 7.75789904 3.57552693
0.00072880 -0.00084996 0.00034746
0.00224190 -0.00333429 -0.00720471
11.22858960 7.88795074 3.68438302
-0.00049240 -0.00030980 -0.00023954
-0.00906916 -0.00160437 0.00761000
-7.81188104 -11.31471652 -2.32966301
0.00038857 -0.00121377 0.00074912
0.00845262 -0.02006709 0.01115072
-10.40116251 -9.95616443 -1.20816727
0.00042631 -0.00012976 0.00023116
0.01564092 -0.00198244 -0.00372120
5.23951732 -15.99457750 -12.87251825
0.00011876 -0.00087530 -0.00189057
-0.00266688 0.00041962 -0.01058273
2.69636693 -16.41635871 -11.76377746
-0.00063189 0.00128185 -0.00063984
-0.02910378 -0.02599202 0.03901663
4.67302444 -4.78941254 -4.49726860
-0.00103608 0.00080068 -0.00032682
0.00457159 0.00315311 -0.01152046
5.24341331 -6.68921985 -2.38862538
-0.00033796 0.00016227 0.00050489
-0.02578489 0.01753147 -0.01247565
16.71283516 2.63862675 24.40936723
-0.00005549 0.00001139 0.00091939
-0.00418087 -0.00501072 -0.00363653
19.38047031 3.13817995 25.48779753
-0.00049604 0.00023131 -0.00078656
-0.00371642 -0.00629809 -0.01049695
-9.62606379 0.83070878 1.45163234
0.00035149 -0.00053164 -0.00049196
0.00176597 -0.00123705 -0.00366592
-10.00472018 3.34538554 2.74453981
0.00007638 0.00022678 0.00020852
0.00424716 0.00651196 -0.00497382
-5.02236159 13.60748634 -8.56405677
-0.00000362 0.00040574 0.00001914
0.00184975 0.00598958 -0.00223093
-7.57994878 12.28796918 -8.96542070
-0.00041485 -0.00048032 -0.00042999
0.00034517 -0.00218072 -0.00637367
1.41687264 11.76773901 -6.57035511
0.00023680 -0.00082945 -0.00070387
-0.00915220 0.00434818 -0.01033443
2.00131653 14.47608014 -6.21337438
0.00093458 0.00097531 0.00009728
0.00362942 -0.00049134 -0.00869556
-10.71478715 8.27532458 -13.11674801
-0.00032231 0.00019574 0.00007908
-0.01057735 0.03790698 0.02677692
-11.77503259 10.05160675 -10.81290606
0.00031642 0.00008147 0.00064889
-0.00482621 -0.00987817 0.00701580
7.58081571 5.26811006 13.46837752
-0.00132848 0.00007344 0.00073101
-0.01594740 0.01991557 -0.01667123
9.66991278 3.83934095 14.48941398
-0.00021573 -0.00073924 0.00039916
-0.00698637 -0.00438196 0.00249548
-14.20399960 11.17103029 -7.19660794
0.00013000 0.00170230 -0.00059646
-0.00204475 -0.01200063 -0.01163285
-16.93073084 10.77510680 -7.94490491
-0.00006310 -0.00023584 -0.00012412
-0.01467161 0.00497718 -0.00402846
9.27704725 9.34191340 -2.35804450
0.00008217 0.00045574 -0.00094812
-0.01360256 -0.02563087 -0.01989333
7.73064406 8.03583012 -4.55687860
0.00003273 0.00059652 0.00051546
-0.02213768 0.01687813 -0.04159970
14.47435028 -19.08007176 -27.41366110
-0.00006647 -0.00059093 0.00001391
0.00202972 0.01768857 -0.01125838
13.43247934 -20.26506803 -25.02186827
0.00032323 0.00008990 0.00050112
0.01405526 -0.00692143 -0.01934790
4.93253164 5.05132745 2.07613661
0.00032034 0.00033371 -0.00086925
0.00774327 -0.00414651 0.00197644
5.48142898 6.99205640 -0.01013642
-0.00066982 -0.00053305 0.00101698
0.00867577 0.00043427 -0.01749830
19.99707175 -5.83770507 -6.92727697
0.00064882 0.00176619 -0.00007226
-0.01250853 -0.00171228 0.00442243
17.08798160 -4.98807310 -6.22593173
-0.00060364 0.00019332 -0.00039584
0.02139471 -0.01098115 -0.01499937
-2.61071982 -0.72896511 -0.97324019
-0.00004172 0.00046435 -0.00015611
0.00943627 -0.01830893 -0.02316382
-2.16699505 -1.65870449 -3.89181904
-0.00063523 -0.00025603 -0.00044102
-0.00735339 0.00197416 0.03072149
3.93128661 -3.48165425 -12.41761263
0.00031009 -0.00093522 -0.00068814
0.00462038 -0.00475765 0.00110106
1.10375245 -2.86426332 -11.80893285
0.00016122 -0.00035693 -0.00003359
0.00502377 0.00453468 -0.00067536
19.83587610 8.58728751 -7.88608370
0.00030841 0.00049845 0.00026180
-0.00305757 0.00504285 0.02583875
21.01299135 8.09732695 -5.18080986
0.00001796 -0.00037488 -0.00042681
-0.02374681 0.01920325 -0.01699891
-7.10797118 3.94745164 8.85094301
-0.00075963 0.00122762 -0.00039493
-0.00152194 -0.00502664 -0.00125045
-6.98661985 6.46578109 10.29999902
0.00094061 -0.00071289 -0.00060477
-0.00978720 -0.00398957 -0.01107699
-2.02325152 -17.87142548 11.58082658
0.00067068 -0.00018748 -0.00012837
0.00225150 -0.01261163 0.00384729
-2.81480663 -15.66206447 9.94664125
-0.00012886 -0.00059594 -0.00031280
0.00652216 0.00340849 0.00630915
8.43923009 -0.44327505 -3.13432642
0.00081209 0.00069447 0.00068475
0.01901140 -0.00607238 0.03207671
7.60456837 1.37927378 -5.25080174
0.00043610 0.00018918 -0.00002045
0.00088735 -0.01735580 -0.00489161
0.34678706 -11.89424345 1.91358666
-0.00012126 -0.00032363 0.00028067
-0.00893566 -0.00309856 -0.00650986
-1.06416697 -10.57056229 -0.25934886
-0.00087636 0.00014545 0.00014916
-0.00526171 -0.00579694 0.00106509
-19.40580590 -1.29199022 6.86174904
0.00099322 0.00072899 0.00042732
0.00521166 -0.00577903 0.02029775
-21.38735321 0.53447840 5.97036075
-0.00017883 0.00022912 -0.00011793
0.02381355 -0.01532014 -0.01603345
-5.09485687 8.14976003 -26.50750304
-0.00023491 0.00035775 -0.00213141
-0.01718915 0.00367410 0.00758760
-5.21922508 7.61787417 -23.76203020
-0.00049563 0.00053816 -0.00014326
-0.02904342 0.00456520 -0.01406915
4.19025961 1.74182312 -2.39100891
-0.00036438 0.00059542 0.00050611
-0.02053868 0.00983585 0.00584874
2.11069383 0.18482586 -1.42960053
-0.00068551 -0.00053678 0.00007504
-0.01671948 0.01344230 -0.00124359
14.95605065 7.64020830 5.85543492
0.00013836 0.00048293 0.00055708
-0.00674521 -0.01116277 0.00356853
15.46534200 9.77690761 4.13815947
-0.00032669 0.00086714 -0.00005263
0.01760403 0.04495944 -0.00821823
1.56469057 -11.75457635 -13.92381883
0.00018236 0.00007966 -0.00013606
0.00790774 0.00650439 0.00385737
-13.56969714 14.65864525 22.78239083
-0.00002953 0.00013234 0.00014359
-0.00495644 -0.00076473 -0.00238970
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02537933
0.34259662
456.49281888
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1344943213
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3343432375 (a.u.)
total exchange computation time: 2.7728149891 s
-153.9961345885
-931.37004460
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1344943213
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3341415084 (a.u.)
total exchange computation time: 2.7730720043 s
-153.9988134207
Anderson extrapolation: theta=1.3720279814 (1.3720279814)
-931.37030595
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1344943213
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3337834341 (a.u.)
total exchange computation time: 2.7742159367 s
-154.0030118438
Anderson extrapolation: theta=0.0624862008 (0.0624862008)
-931.37046908
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1344943213
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3336926551 (a.u.)
total exchange computation time: 2.7735929489 s
-154.0037779996
Anderson extrapolation: theta=2.1547856135 (2.0000000000)
-931.37047735
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1349269876
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3334944067 (a.u.)
total exchange computation time: 2.7593350410 s
-154.0054459074
Anderson extrapolation: theta=0.2609941916 (0.2609941916)
-931.37049552
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1349269876
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3334337744 (a.u.)
total exchange computation time: 2.7600290775 s
-154.0058690873
Anderson extrapolation: theta=1.7116682673 (1.7116682673)
-931.37049785
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1349269876
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3333488844 (a.u.)
total exchange computation time: 2.7615931034 s
-154.0063929444
Anderson extrapolation: theta=0.2661189652 (0.2661189652)
-931.37050042
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1349269876
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3333454995 (a.u.)
total exchange computation time: 2.7586128712 s
-154.0063431742
Anderson extrapolation: theta=1.3043696368 (1.3043696368)
-931.37050094
-22.066467 -171.124125 -244.491096
-137.115110 457.980426 -805.437776
-159.181577 286.856301 -1049.928872
1099.989068
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1349269876
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3333548292 (a.u.)
total exchange computation time: 2.7604939938 s
678.32103205
-1082.81413834
89.80428102
-389.65779191
-174.69052927
77.77257269
551.60419304
0.00000000
-931.37050128
-9.19048372 -5.35405313 9.76953626
0.00019069 -0.00006739 0.00022600
-0.02134911 0.02742428 -0.01527882
-13.78415304 5.02354109 8.93431548
0.00010810 -0.00005655 -0.00011152
-0.00350586 0.02257988 0.00265471
-15.84990377 1.54300122 2.97012171
-0.00012182 -0.00010862 0.00011471
0.03501796 0.02213916 -0.03373642
2.37932745 -19.65558696 13.35146953
-0.00018777 0.00000194 0.00025155
0.02431365 -0.05894620 0.03648981
9.84455747 20.81564471 0.42629921
0.00040289 -0.00007821 -0.00030221
0.01949248 -0.02600633 -0.02950329
-11.21276147 12.79687331 15.20901705
-0.00017560 -0.00004819 0.00007484
-0.00403597 -0.03048642 -0.02777185
-5.99165187 1.08982185 -12.91622870
0.00016573 -0.00021488 0.00008780
-0.00266395 0.00287521 0.01966697
-8.89488812 6.71852067 -6.84043703
0.00008878 0.00021483 0.00004513
-0.02495428 -0.01344802 0.01179543
-7.41121648 -3.74552344 18.02520432
0.00035125 -0.00025786 -0.00010093
0.00185036 0.00296456 0.01926969
-23.46191899 -7.58930863 -23.58790912
-0.00028455 -0.00017622 -0.00036819
0.02097726 -0.02039305 -0.00464028
8.49907772 13.15449084 6.64673658
0.00036830 0.00044873 0.00009057
-0.02447604 0.03442335 -0.05157336
23.10219488 28.82005386 -3.06229994
-0.00028834 -0.00041929 0.00034424
0.00543589 0.01848381 0.01589437
9.43606725 0.04470544 -14.64133220
0.00019317 0.00027179 -0.00017319
-0.03343313 0.00803036 -0.01811068
-9.10512577 -1.09711283 12.50040224
-0.00019606 -0.00004907 -0.00032971
-0.01599312 0.00032548 0.04047809
-2.14305849 -25.91992324 10.53600077
-0.00007204 0.00002817 -0.00000633
-0.00264307 -0.00367519 -0.00784441
-15.26462895 -4.10820191 -7.27755746
-0.00015862 -0.00001362 -0.00021524
0.00922440 -0.01142951 0.00850210
-19.43199293 -11.03833886 -18.22562477
0.00000186 0.00000438 -0.00003401
0.02546799 0.03351082 -0.04049095
21.11826380 5.39769289 4.67569739
-0.00046988 0.00017048 0.00012548
-0.00498018 -0.00360036 0.01036406
19.47200489 -11.56087197 -13.30338980
0.00051411 0.00030669 0.00025877
-0.01763237 0.00175875 0.02890341
-3.20317373 -0.33453763 -6.55707364
-0.00033781 -0.00025223 0.00011104
-0.00360002 -0.01756675 -0.00366029
-3.73537807 -3.15697784 -17.58666140
0.00031460 0.00011879 -0.00011510
0.00692169 -0.02746260 -0.00286566
14.25814063 16.40985327 -21.30452009
0.00011524 -0.00004480 -0.00017799
0.00044475 -0.00270211 -0.01150999
-14.57807486 17.65976617 -13.33768514
0.00009194 0.00049695 -0.00025465
-0.01793817 -0.03230802 -0.03925259
1.40531091 15.08763421 7.89134446
-0.00020766 -0.00018915 -0.00034523
0.06037190 -0.04962718 -0.01873654
-4.38916588 -9.20171782 3.91661099
0.00022939 0.00009107 -0.00006681
0.02551401 -0.01466132 -0.03124665
2.10161447 -5.14646487 2.31566006
-0.00000281 -0.00012018 -0.00006025
0.03344030 -0.00686949 -0.02868339
9.66586188 7.18132785 4.41370254
-0.00007194 0.00023188 -0.00027621
0.01745818 -0.00479665 0.00675676
-9.27420490 -10.30008059 -2.63038072
-0.00028053 -0.00014085 0.00029361
-0.02132980 0.01851374 -0.00237509
3.42639729 -15.61741763 -13.12190020
-0.00016201 -0.00010796 0.00007587
0.03686994 0.02874922 -0.03966426
3.80213953 -5.70193220 -3.17496187
0.00025643 -0.00007876 0.00047366
0.02190439 -0.02089737 0.02140666
18.39466968 1.90751650 24.47488376
-0.00000545 -0.00015212 -0.00016054
0.00504960 -0.00034801 0.00822448
-8.91288237 2.51433696 1.52812059
-0.00031127 -0.00037889 0.00005187
-0.00842985 -0.00162549 0.00540944
-5.95382965 12.56810570 -9.78715065
0.00046506 -0.00043059 0.00012349
-0.01206817 -0.00560367 0.00386113
1.61144065 13.29753241 -7.58219330
-0.00001509 0.00008593 0.00020374
0.00832589 -0.00264007 0.02349121
-11.14401515 10.05162425 -12.50226106
-0.00040728 -0.00010809 -0.00003594
0.01722945 -0.02658062 -0.02754496
7.83562088 3.93185846 14.62648383
0.00003508 -0.00031399 0.00007126
0.02419593 -0.01708768 0.01541862
-15.38624074 9.85489477 -7.81788226
0.00032103 0.00038114 0.00061422
0.01837950 0.01077241 0.01196995
8.59620620 7.72659830 -3.07125113
-0.00041580 -0.00032151 -0.00000510
0.03684994 0.00774466 0.06602444
14.16881611 -20.70677962 -26.70107385
-0.00003791 0.00011538 0.00014817
-0.01902729 -0.00475057 0.03522452
5.11121232 6.83746982 1.74584879
0.00013226 -0.00030637 0.00030131
-0.01140358 0.01160120 0.01914685
18.25175885 -5.85835972 -7.51248641
-0.00022901 0.00001632 0.00020708
-0.00555323 0.01427906 0.02384524
-1.95245551 -2.14206701 -2.04712207
-0.00005301 -0.00026352 0.00019737
-0.00523949 0.02025385 0.00274601
2.79423988 -2.10773389 -12.03086386
-0.00000302 -0.00000929 0.00003780
-0.00254424 -0.00644901 0.00356217
19.70531101 9.20471563 -6.09828741
0.00025817 -0.00037596 0.00022231
0.02703402 -0.03348743 -0.00731675
-7.65752152 5.72047880 8.73691864
-0.00016692 -0.00026393 -0.00040150
0.00806710 0.02651107 0.01395963
-1.74660840 -16.10442943 11.37791605
0.00017776 -0.00006639 -0.00005501
-0.01050114 0.01147078 -0.00937543
7.60607762 -0.41558805 -4.70739798
-0.00000156 0.00032040 -0.00034571
-0.00826854 0.04635186 0.00042714
-1.03564418 -12.20922384 0.68058391
-0.00008929 -0.00022024 0.00010536
0.01051208 0.01216389 0.00504900
-19.98359482 -0.54422774 5.31478059
-0.00016240 0.00048234 0.00005950
-0.03026317 0.02288297 -0.00378272
-6.45539739 7.96429700 -25.16655379
0.00005005 0.00020400 -0.00000001
0.06688242 -0.00604596 0.01621989
2.39668500 1.96819545 -1.85991411
-0.00027061 0.00004357 -0.00015628
0.03931662 -0.03433900 -0.00304275
14.65918810 8.21742703 4.13699073
-0.00033934 -0.00020858 -0.00001328
-0.00757277 -0.02445016 0.00412313
-8.22080208 -6.76299289 10.25114293
-0.00013405 0.00075918 -0.00036142
0.01383578 -0.02863684 0.00239420
-10.29724808 -5.75382138 8.34434119
-0.00060458 0.00089783 0.00028809
0.01096286 -0.00620185 0.01337644
-13.11368706 5.93244709 7.45091527
-0.00024247 -0.00090432 -0.00076746
-0.00589638 -0.01000574 0.00300776
-13.72393513 3.25530172 8.56435630
0.00084630 -0.00005493 0.00112353
0.00638226 -0.01198904 -0.00221845
-14.67668693 1.55069059 4.33246876
0.00037896 -0.00022713 -0.00100809
0.00791978 0.00367379 0.01707673
-17.32394619 0.83177155 3.60708374
0.00015989 0.00015476 0.00047633
-0.04380817 -0.02216416 0.02135420
2.58751578 -21.53793082 12.80061049
-0.00065557 0.00001340 0.00050342
-0.00267777 0.05274760 0.00650851
3.31027931 -19.67033166 15.05738118
0.00017108 -0.00072687 -0.00085805
-0.02515919 0.00440341 -0.04752202
9.19589312 19.07090476 0.11047353
0.00013878 0.00087841 -0.00079539
0.00318621 0.02054128 0.01596749
8.76631573 21.82361538 1.45825550
0.00035640 -0.00009343 0.00016371
-0.02718033 -0.00048136 0.00807171
-10.54107207 12.11824692 16.76820784
-0.00009292 0.00002347 -0.00096676
0.00875739 0.00102814 0.01858380
-11.38038287 14.52748142 15.49571630
0.00065818 0.00066051 0.00092120
-0.00410588 0.03481543 0.00524261
-5.99238044 0.06202164 -14.39961816
-0.00001100 0.00051216 -0.00053015
-0.00120171 -0.00880949 -0.00157401
-6.92310126 0.24748405 -11.47945135
-0.00173486 0.00038747 0.00074300
0.00737249 0.00377233 -0.02071656
-8.01950008 8.29002376 -6.64820238
0.00071295 -0.00013893 -0.00083934
0.00193103 0.00104694 -0.00119560
-9.85314660 6.60344073 -5.21851134
0.00034439 0.00121753 -0.00020639
0.01218439 0.00712873 -0.02305111
-7.64560716 -1.89766944 17.98496586
-0.00023652 0.00098334 -0.00033339
0.00576474 -0.01663848 0.00224373
-7.15989939 -4.22568875 19.84985251
0.00038404 -0.00019362 0.00038307
-0.00767195 0.00538711 -0.02565214
-24.76024060 -6.34711444 -23.44518339
0.00071499 0.00078408 -0.00067074
0.00531925 0.01697326 -0.00332349
-21.75686937 -6.83390806 -23.70306665
-0.00041008 -0.00057971 -0.00072712
-0.02612168 0.00579860 0.00153380
8.65431153 13.09170289 4.76264132
0.00010057 -0.00009700 0.00122900
-0.00177147 0.00434769 0.02591700
9.47087423 11.83087944 7.31844211
0.00097724 0.00028147 -0.00072117
0.02166539 -0.02967474 0.02393411
24.13182471 27.37791699 -2.54512859
0.00022122 0.00048231 -0.00031879
-0.01613915 0.00414071 -0.00237668
22.86119164 29.91768463 -1.54746094
-0.00088033 -0.00100480 0.00078589
-0.00197209 -0.01355430 -0.01578287
10.97367905 -0.77591800 -14.37888521
0.00105398 0.00034553 0.00065389
0.03454192 -0.00644625 0.00910335
8.32197696 -1.42601378 -14.68552669
0.00031353 0.00049192 0.00011073
-0.00142187 0.00137256 0.00787629
-9.75287612 -1.30328316 14.24408746
0.00026559 -0.00101764 -0.00054257
0.01216251 0.01675626 -0.01699904
-9.41841443 -2.78733543 11.93319246
-0.00012525 -0.00126816 0.00069529
0.00358993 -0.01617578 -0.02168085
-3.21684412 -26.46301895 11.93416758
-0.00059007 -0.00038573 0.00039934
0.00612729 -0.00262873 0.01242328
-3.37139607 -25.72163835 9.21839126
0.00019239 0.00033375 0.00010671
0.00301861 0.00542035 -0.01367888
-14.81700446 -2.45988740 -6.43304103
-0.00054834 0.00008906 -0.00084490
-0.00398556 -0.01360846 -0.01114888
-16.07446406 -3.75182829 -8.83114812
0.00012933 -0.00037562 -0.00038366
-0.01002041 0.00667613 -0.01105965
-18.95061109 -9.46155750 -19.21715540
-0.00043831 -0.00073855 0.00023552
-0.01904818 -0.01723017 0.03013470
-18.18118725 -12.11408213 -19.04855642
0.00014184 -0.00012565 -0.00028900
-0.00350047 -0.01708335 0.01014957
22.56750563 6.00721590 3.79002015
-0.00050176 0.00133111 0.00093006
0.00536350 0.00559409 -0.00314882
20.29947935 6.81272407 5.48260992
0.00083380 0.00059515 -0.00062744
0.00212581 -0.00108129 -0.00412731
18.40635120 -10.94027214 -11.80249263
0.00117137 -0.00098825 -0.00048596
0.01263067 -0.01074242 -0.02739221
18.77175194 -10.69363739 -14.72559019
0.00125072 -0.00009611 0.00001113
-0.00685659 0.01060270 -0.00737975
-1.75104159 0.69111684 -6.84556188
0.00060166 -0.00056844 0.00088356
-0.00011994 0.01813135 -0.00371052
-4.74919208 0.57580898 -6.18866357
0.00021942 0.00100032 -0.00011354
0.01241727 0.00503184 0.00114446
-3.04285062 -4.52120547 -18.66891552
-0.00055008 -0.00002070 -0.00074159
-0.01091603 0.02450522 0.01530879
-3.67576661 -1.59207300 -18.50927903
-0.00013715 -0.00000302 0.00045045
0.00272856 0.01008079 -0.01022896
13.84240814 17.77124714 -20.22273550
0.00026646 0.00073850 -0.00081401
0.00766325 0.01810532 0.01695440
12.53294515 15.91907808 -21.71568359
0.00005872 0.00041683 0.00111835
-0.00032960 -0.01300570 -0.00572725
-13.94519046 17.13230890 -11.74059117
0.00003602 -0.00043037 0.00055515
0.00793940 -0.00406117 0.01224511
-14.61514078 15.98592552 -14.41297003
0.00045689 0.00026924 -0.00036106
0.00666033 0.02943196 0.02707256
2.02124405 15.78291340 6.33194542
-0.00010163 0.00066104 -0.00015068
-0.01086471 0.00702783 0.00026697
0.07015204 15.87384598 8.64583229
-0.00026489 0.00085032 -0.00116948
-0.05016788 0.03833028 0.01761784
-4.70915639 -8.01650282 2.51833188
0.00100142 0.00076776 -0.00037725
-0.00978414 -0.00893983 0.01695463
-3.16293470 -10.38205536 3.03013059
0.00042969 -0.00068870 -0.00033339
-0.01898530 0.01606259 0.01277117
1.23524271 -3.87545113 3.28620733
-0.00056182 0.00111356 0.00090373
0.00912806 0.01665817 -0.00745908
3.32360379 -4.42713274 0.99326211
0.00064927 0.00048750 -0.00026333
-0.03760533 -0.01035927 0.04004494
8.16821123 7.74504744 3.58051804
0.00072096 -0.00085662 0.00030805
-0.00607945 0.00007321 -0.01208750
11.22092565 7.88325462 3.68102313
-0.00052310 -0.00031326 -0.00021159
-0.00595763 -0.00009025 0.00607063
-7.80579347 -11.33353803 -2.31808456
0.00040751 -0.00128496 0.00078979
0.00081739 -0.01478160 0.00875904
-10.39428856 -9.95817153 -1.20481392
0.00048539 -0.00013628 0.00022094
0.01328052 -0.00121286 -0.00128191
5.24121703 -16.00769415 -12.90120114
0.00010431 -0.00087431 -0.00193041
-0.00440958 0.00006316 -0.00891920
2.68599672 -16.39792745 -11.77217949
-0.00075662 0.00116698 -0.00046505
-0.03195252 -0.03023724 0.04654657
4.65762339 -4.77730577 -4.50252386
-0.00101835 0.00080848 -0.00036704
0.00410707 0.00066723 -0.00816878
5.23755378 -6.68624865 -2.38143430
-0.00043687 0.00023169 0.00045463
-0.02263301 0.01644987 -0.01212819
16.71187474 2.63864400 24.42304661
-0.00007235 -0.00001062 0.00090320
-0.00407187 -0.00576036 -0.00428828
19.37291580 3.14145667 25.47567752
-0.00050722 0.00020736 -0.00082679
-0.00175533 -0.00542554 -0.00919656
-9.62073729 0.82269624 1.44414061
0.00035679 -0.00053648 -0.00050524
0.00082475 -0.00113007 -0.00283482
-10.00344436 3.34898685 2.74751519
0.00009424 0.00025001 0.00018637
0.00449701 0.00485777 -0.00586807
-5.02235915 13.61375598 -8.56383801
0.00000244 0.00042833 0.00000920
0.00111559 0.00506965 -0.00263718
-7.58616096 12.28069748 -8.97206586
-0.00040544 -0.00048710 -0.00045885
0.00426221 -0.00113405 -0.00775108
1.42014418 11.75543052 -6.58122978
0.00020047 -0.00080573 -0.00074517
-0.00863188 0.00726239 -0.00988291
2.01544640 14.49069469 -6.21218160
0.00094649 0.00096327 0.00005645
0.00220157 -0.00539980 -0.01129453
-10.71994588 8.27942220 -13.11474135
-0.00036506 0.00034677 0.00018744
-0.01034930 0.03602502 0.02626663
-11.77043424 10.05252604 -10.80295779
0.00029901 0.00004101 0.00067102
-0.00369593 -0.00992762 0.00381714
7.56039977 5.26982188 13.47883176
-0.00139045 0.00015269 0.00066520
-0.01438554 0.01887852 -0.01554260
9.66646277 3.82811800 14.49547780
-0.00024171 -0.00075488 0.00040707
-0.00572974 -0.00327034 0.00137739
-14.20211225 11.19619712 -7.20591136
0.00011898 0.00164927 -0.00064431
-0.00335159 -0.01395859 -0.01178908
-16.93212690 10.77172169 -7.94689012
-0.00012150 -0.00021646 -0.00014038
-0.01391753 0.00450960 -0.00393121
9.27786298 9.34796414 -2.37287588
0.00002580 0.00034580 -0.00102859
-0.01399023 -0.02818555 -0.01949683
7.73045670 8.04529511 -4.55042139
-0.00006249 0.00066564 0.00033744
-0.02447310 0.01695510 -0.04554231
14.47341543 -19.08839367 -27.41379743
-0.00005702 -0.00050999 -0.00003550
0.00259573 0.02193164 -0.01292991
13.43775848 -20.26393169 -25.01494437
0.00038113 0.00006191 0.00042028
0.01428674 -0.00677632 -0.02022161
4.93757408 5.05620605 2.06315840
0.00034968 0.00030390 -0.00085626
0.00661938 -0.01044496 0.00438190
5.47164748 6.98407401 0.00458211
-0.00063124 -0.00052748 0.00093049
0.01021274 0.00229298 -0.02483889
20.00642080 -5.81126473 -6.92822540
0.00058670 0.00175831 -0.00005742
-0.01790244 -0.00214454 0.00284395
17.07958255 -4.98550987 -6.23232893
-0.00051666 0.00014939 -0.00045481
0.02118525 -0.01052177 -0.01386891
-2.61105651 -0.72256091 -0.97629160
-0.00000210 0.00038640 -0.00025161
0.00996081 -0.01984770 -0.02358349
-2.17674878 -1.66248440 -3.89749287
-0.00066440 -0.00024986 -0.00030965
-0.00692506 0.00104297 0.03358342
3.93607962 -3.49582828 -12.42790100
0.00031972 -0.00094234 -0.00068014
0.00009347 0.00126934 0.00281696
1.10632476 -2.86947827 -11.80945743
0.00018079 -0.00033792 -0.00003633
0.00455158 0.00477120 -0.00066398
19.84040855 8.59491878 -7.88136487
0.00029575 0.00051760 0.00036312
-0.00313818 0.00433078 0.02375666
21.01253304 8.09229221 -5.18773291
-0.00007582 -0.00029899 -0.00049272
-0.02215956 0.01794430 -0.01526496
-7.11941231 3.96571187 8.84498074
-0.00075996 0.00118625 -0.00040037
0.00136190 -0.01522199 -0.00141043
-6.97281058 6.45496556 10.29058808
0.00089954 -0.00072793 -0.00065028
-0.01031785 -0.00337570 -0.01120160
-2.01312240 -17.87462421 11.57901886
0.00068029 -0.00023830 -0.00011250
0.00245446 -0.01226276 0.00392229
-2.81653964 -15.67089920 9.94214266
-0.00009968 -0.00058270 -0.00028434
0.00776295 0.00307328 0.00761905
8.45199402 -0.43304414 -3.12307223
0.00087819 0.00066923 0.00079441
0.01334568 -0.00627853 0.02160094
7.61113713 1.38157961 -5.25125834
0.00043874 0.00012143 -0.00004182
0.00040439 -0.01580950 -0.00557051
0.34469438 -11.89919290 1.91759729
-0.00015805 -0.00033540 0.00025281
-0.00907296 -0.00266033 -0.00713196
-1.07747356 -10.56855810 -0.25707877
-0.00089638 0.00011892 0.00015527
-0.00453929 -0.00719127 0.00192480
-19.39074793 -1.28123246 6.86878090
0.00101000 0.00070999 0.00050233
0.00300533 -0.00352151 0.01641775
-21.38930600 0.53744578 5.96810042
-0.00008351 0.00016790 -0.00018152
0.02284915 -0.01465052 -0.01509049
-5.09890729 8.15523883 -26.53924170
-0.00031083 0.00037114 -0.00208689
-0.01997109 0.00288287 0.01420393
-5.22754957 7.62608650 -23.76461027
-0.00060803 0.00055565 -0.00019853
-0.02597619 0.00399411 -0.01298280
4.18416454 1.75105579 -2.38323798
-0.00044415 0.00063359 0.00052864
-0.01851122 0.00884738 0.00518001
2.09989885 0.17718604 -1.42851310
-0.00075082 -0.00047290 0.00006725
-0.01525091 0.01782781 -0.00256582
14.95791942 7.64711015 5.86390049
0.00010963 0.00043865 0.00056573
-0.00732028 -0.01051043 0.00066258
15.46098115 9.79129242 4.13711818
-0.00026439 0.00103255 -0.00008656
0.01288864 0.03600973 -0.00839187
1.56744725 -11.75336399 -13.92584944
0.00018523 0.00008199 -0.00013468
0.00808015 0.00654143 0.00389753
-13.57014865 14.66062896 22.78454047
-0.00003068 0.00013218 0.00014304
-0.00501040 -0.00061956 -0.00229410
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02535428
0.34514700
459.89107261
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3311328680 (a.u.)
total exchange computation time: 2.7848939896 s
-153.9904144298
-931.37218733
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3309886555 (a.u.)
total exchange computation time: 2.7831687927 s
-153.9926154201
Anderson extrapolation: theta=1.3478155621 (1.3478155621)
-931.37243658
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3307158171 (a.u.)
total exchange computation time: 2.7824580669 s
-153.9961361332
Anderson extrapolation: theta=0.0524380897 (0.0524380897)
-931.37258649
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3306351716 (a.u.)
total exchange computation time: 2.7847790718 s
-153.9968478287
Anderson extrapolation: theta=1.8989532283 (1.8989532283)
-931.37259239
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3304572227 (a.u.)
total exchange computation time: 2.7837071419 s
-153.9983516166
Anderson extrapolation: theta=0.2201026245 (0.2201026245)
-931.37259880
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3304094449 (a.u.)
total exchange computation time: 2.7819759846 s
-153.9987038824
Anderson extrapolation: theta=1.8556279642 (1.8556279642)
-931.37260010
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3303369110 (a.u.)
total exchange computation time: 2.7828109264 s
-153.9991841618
Anderson extrapolation: theta=0.2897387908 (0.2897387908)
-931.37260181
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3303329962 (a.u.)
total exchange computation time: 2.7830390930 s
-153.9991523782
Anderson extrapolation: theta=1.3005025275 (1.3005025275)
-931.37260224
-22.033681 -171.076760 -244.516948
-137.102123 458.017088 -805.480089
-159.135804 286.940328 -1049.997036
1100.069422
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3303408554 (a.u.)
total exchange computation time: 2.7816879749 s
678.26980415
-1082.71122842
89.81128979
-389.72911960
-174.68300765
77.71646993
551.60419304
0.00000000
-931.37260259
-9.18770579 -5.35495816 9.77286731
0.00017824 -0.00005146 0.00021743
-0.02703401 0.03451939 -0.01804597
-13.78254509 5.02277995 8.93265292
0.00010618 -0.00004457 -0.00011020
-0.00395897 0.02399793 0.00247553
-15.85159601 1.54145734 2.97171220
-0.00010424 -0.00009721 0.00009638
0.03334055 0.02223298 -0.03752502
2.37660463 -19.65578519 13.35538359
-0.00017579 -0.00002837 0.00026940
0.02228593 -0.05895067 0.03292588
9.85067604 20.81437129 0.42165219
0.00041280 -0.00009002 -0.00031679
0.01902973 -0.01991951 -0.02715928
-11.21541107 12.79603281 15.21003246
-0.00017844 -0.00006112 0.00005957
-0.00699366 -0.01976854 -0.03158411
-5.98917620 1.08660981 -12.91483576
0.00016366 -0.00021382 0.00009884
-0.00537865 0.00121462 0.02324709
-8.89365264 6.72169124 -6.83971460
0.00007627 0.00020789 0.00005053
-0.02371630 -0.01352664 0.00922357
-7.40594061 -3.74937991 18.02376471
0.00035193 -0.00025439 -0.00009065
0.00079611 0.01052859 0.02068621
-23.46610632 -7.59203066 -23.59344984
-0.00027415 -0.00018680 -0.00037054
0.01946922 -0.02074880 -0.00452315
8.50450782 13.16135458 6.64789620
0.00035605 0.00046578 0.00006606
-0.02316797 0.03186158 -0.04373066
23.09789079 28.81383575 -3.05707503
-0.00028621 -0.00040889 0.00035221
0.00284392 0.02197926 0.01511096
9.43883589 0.04881320 -14.64399993
0.00017826 0.00027538 -0.00018216
-0.02456638 0.00596556 -0.01676766
-9.10812841 -1.09784757 12.49561278
-0.00020453 -0.00005068 -0.00030973
-0.01693755 -0.00661640 0.03721010
-2.14414931 -25.91951493 10.53587554
-0.00007377 0.00002582 -0.00000907
-0.00407839 -0.00544800 -0.00279385
-15.26697274 -4.10845028 -7.28075327
-0.00015401 -0.00001971 -0.00021104
0.00870237 -0.01224139 0.00784819
-19.43186675 -11.03814390 -18.22629109
0.00001499 0.00002013 -0.00005444
0.02559673 0.02774305 -0.03894090
21.11119641 5.40023625 4.67761957
-0.00047169 0.00016834 0.00013024
-0.00206273 -0.00473519 0.00813467
19.47964850 -11.55626486 -13.29939675
0.00050632 0.00030660 0.00027268
-0.01264635 -0.00212021 0.02517000
-3.20825471 -0.33838878 -6.55542214
-0.00033899 -0.00026046 0.00010903
-0.00099338 -0.01445667 -0.00416823
-3.73063237 -3.15530188 -17.58839891
0.00031812 0.00010389 -0.00011625
0.00676223 -0.03047564 -0.00161516
14.25987090 16.40917090 -21.30723429
0.00011585 -0.00004549 -0.00018333
0.00194286 -0.00000755 -0.00927527
-14.57676491 17.66709572 -13.34165637
0.00008355 0.00047946 -0.00027294
-0.01471580 -0.03569550 -0.03184957
1.40242884 15.08460553 7.88609376
-0.00017736 -0.00021391 -0.00035483
0.05747868 -0.04664823 -0.01860796
-4.38562662 -9.20040828 3.91548835
0.00024289 0.00008351 -0.00008379
0.02698217 -0.01476016 -0.03480155
2.10170136 -5.14829406 2.31464572
0.00001335 -0.00012112 -0.00007380
0.02937126 0.00321295 -0.02403541
9.66485016 7.18478753 4.40958541
-0.00006166 0.00022814 -0.00027100
0.02250018 -0.00972789 0.01352132
-9.27849509 -10.30212185 -2.62598580
-0.00028892 -0.00013294 0.00029216
-0.01130593 0.01222670 -0.00322656
3.42410934 -15.61892609 -13.12091508
-0.00014214 -0.00009236 0.00005374
0.04042230 0.03190213 -0.04642682
3.80607048 -5.70319425 -3.16777442
0.00026690 -0.00008839 0.00048348
0.01881899 -0.01653687 0.01678766
18.39460744 1.90523330 24.47250737
-0.00000346 -0.00015238 -0.00015654
0.00267421 -0.00064009 0.00735241
-8.91758393 2.50864731 1.52891952
-0.00031536 -0.00037933 0.00005468
-0.00747772 -0.00006225 0.00553015
-5.94690024 12.56162517 -9.78528336
0.00045810 -0.00043351 0.00012599
-0.01503047 -0.00574207 0.00583182
1.61124640 13.29881115 -7.57904658
-0.00001058 0.00008505 0.00021626
0.00921013 -0.00076261 0.02517668
-11.15005793 10.04990030 -12.50290647
-0.00039885 -0.00012105 -0.00004899
0.01557211 -0.02380437 -0.02320294
7.83624037 3.92708266 14.62761219
0.00004665 -0.00032250 0.00007895
0.02080905 -0.01598422 0.01448650
-15.38135444 9.86065338 -7.80862277
0.00033040 0.00038725 0.00062036
0.01805389 0.01301671 0.01190183
8.59011135 7.72180546 -3.07107301
-0.00039653 -0.00031697 0.00002907
0.03808953 0.00993350 0.06686763
14.16817411 -20.70506719 -26.69871540
-0.00004781 0.00011198 0.00016672
-0.01948099 -0.00846947 0.03690343
5.11315221 6.83291899 1.75044225
0.00012626 -0.00029926 0.00031226
-0.01191439 0.01604723 0.02346417
18.24830233 -5.85805989 -7.50928821
-0.00023045 0.00002365 0.00021929
-0.00004420 0.01423516 0.02364083
-1.95327091 -2.14594176 -2.04415096
-0.00005591 -0.00025263 0.00019820
-0.00603931 0.02212332 0.00048372
2.79418478 -2.10789816 -12.03028312
-0.00000303 -0.00001410 0.00003916
0.00248716 -0.01224223 0.00172441
19.70928781 9.19894709 -6.09498098
0.00027141 -0.00039254 0.00021869
0.02446228 -0.03098833 -0.00674274
-7.65999418 5.71662217 8.73095006
-0.00016344 -0.00024774 -0.00039430
0.00546230 0.03644762 0.01401948
-1.74398246 -16.10538109 11.37705476
0.00017208 -0.00006067 -0.00006011
-0.01160322 0.01079008 -0.01046787
7.60602236 -0.41060322 -4.71258196
-0.00000430 0.00034361 -0.00034263
-0.00241224 0.04390437 0.01153996
-1.03694303 -12.21248052 0.68218378
-0.00008407 -0.00021373 0.00010785
0.00980730 0.01317083 0.00462091
-19.98614762 -0.53690439 5.31565849
-0.00017698 0.00049312 0.00005838
-0.02641082 0.01904373 -0.00057784
-6.45438863 7.96733369 -25.16649131
0.00008418 0.00020131 0.00000640
0.06584766 -0.00443101 0.00869852
2.39277756 1.96871657 -1.86227002
-0.00025143 0.00002516 -0.00015732
0.03526463 -0.03727323 -0.00099294
14.65406876 8.21420407 4.13680748
-0.00034174 -0.00021877 -0.00001046
-0.00173494 -0.01518015 0.00682011
-8.22238891 -6.75248276 10.24579507
-0.00006847 0.00062784 -0.00034813
0.01826622 -0.03565562 0.00410935
-10.30598089 -5.74054401 8.34907250
-0.00055741 0.00087206 0.00034497
0.01212857 -0.00640955 0.01446201
-13.11750481 5.91857576 7.43949550
-0.00026576 -0.00094422 -0.00075490
-0.00550330 -0.00952827 0.00314010
-13.71104503 3.25411033 8.58114121
0.00087218 -0.00010749 0.00111379
0.00628702 -0.01373966 -0.00254636
-14.67075982 1.54739624 4.31787063
0.00041638 -0.00021194 -0.00093169
0.01039600 0.00376079 0.02032196
-17.32289026 0.83341376 3.61488310
-0.00002045 0.00006378 0.00056464
-0.04447075 -0.02237257 0.02187465
2.57760010 -21.53611345 12.80836127
-0.00066650 0.00022705 0.00052797
-0.00267148 0.05183466 0.00550780
3.31207451 -19.68109979 15.04305421
0.00007254 -0.00070704 -0.00104263
-0.02307323 0.00530455 -0.04282898
9.19807243 19.08471042 0.09903192
0.00014895 0.00095295 -0.00073159
0.00179080 0.01594450 0.01526355
8.77082877 21.82219923 1.46095853
0.00024900 -0.00009837 0.00019307
-0.02539014 -0.00193769 0.00629923
-10.54219746 12.11863043 16.75427584
-0.00005282 0.00002180 -0.00088003
0.01087179 -0.00184507 0.02387296
-11.37063595 14.53845588 15.50969494
0.00064308 0.00078691 0.00093982
-0.00328672 0.02706115 0.00387006
-5.99258230 0.06943404 -14.40761868
-0.00001690 0.00047629 -0.00053385
-0.00168445 -0.00874935 -0.00023539
-6.94889830 0.25341177 -11.46894121
-0.00169816 0.00040546 0.00064852
0.01059477 0.00502931 -0.02552929
-8.00874666 8.28797192 -6.66082913
0.00072116 -0.00013347 -0.00084431
0.00208825 0.00162700 -0.00123678
-9.84760735 6.62192206 -5.22231348
0.00039121 0.00124550 -0.00029550
0.01073475 0.00656443 -0.02057103
-7.64897826 -1.88342924 17.98003371
-0.00021055 0.00089910 -0.00032332
0.00694570 -0.02459359 0.00268652
-7.15437392 -4.22842799 19.85481253
0.00035188 -0.00017051 0.00027414
-0.00807111 0.00592668 -0.02767086
-24.74935278 -6.33483316 -23.45534639
0.00073505 0.00085326 -0.00068419
0.00450020 0.01689271 -0.00325673
-21.76382098 -6.84242608 -23.71392645
-0.00051192 -0.00055574 -0.00072090
-0.02372878 0.00593857 0.00151334
8.65576578 13.09038104 4.78187055
0.00009343 -0.00007798 0.00131895
-0.00172395 0.00496329 0.01811229
9.48619666 11.83419219 7.30835795
0.00106255 0.00016426 -0.00062315
0.02009927 -0.02770347 0.02404848
24.13464845 27.38527846 -2.54998322
0.00016013 0.00049214 -0.00032613
-0.01376209 0.00067340 -0.00121885
22.84792623 29.90219728 -1.53615629
-0.00088806 -0.00105978 0.00072030
-0.00180897 -0.01335675 -0.01632164
10.99054723 -0.77093258 -14.36879798
0.00117864 0.00032682 0.00068859
0.02648052 -0.00271303 0.00788698
8.32663628 -1.41859290 -14.68362438
0.00030651 0.00049437 0.00014272
-0.00201078 -0.00017164 0.00778434
-9.74851962 -1.31803436 14.23542798
0.00031372 -0.00094656 -0.00060634
0.01140156 0.01804147 -0.01421598
-9.42018323 -2.80685349 11.94295741
-0.00010707 -0.00132202 0.00060738
0.00531252 -0.01019160 -0.02135150
-3.22550740 -26.46888543 11.94053831
-0.00055951 -0.00039364 0.00044196
0.00883173 -0.00124259 0.00843917
-3.36841768 -25.71646602 9.21957274
0.00020199 0.00035656 0.00004872
0.00167948 0.00574696 -0.01470808
-14.82535169 -2.45896853 -6.44605623
-0.00056316 0.00003608 -0.00088798
-0.00326908 -0.01232515 -0.00993555
-16.07283124 -3.75725797 -8.83724195
0.00008802 -0.00034852 -0.00042948
-0.01020068 0.00658722 -0.01136624
-18.95776948 -9.47316366 -19.21269923
-0.00051352 -0.00079969 0.00035339
-0.01776861 -0.01270017 0.02756697
-18.17916694 -12.11649042 -19.05258043
0.00012477 -0.00019309 -0.00024547
-0.00485247 -0.01592854 0.01115719
22.56014357 6.02735396 3.80387463
-0.00047803 0.00135039 0.00091553
0.00625186 0.00384228 -0.00396520
20.31205155 6.82161822 5.47307183
0.00083480 0.00059654 -0.00063815
-0.00163963 0.00176129 -0.00111655
18.42430885 -10.95542509 -11.81062135
0.00121546 -0.00102623 -0.00058846
0.00895099 -0.00784945 -0.02278561
18.79030260 -10.69475410 -14.72564944
0.00122032 -0.00005021 -0.00002118
-0.00802180 0.01186325 -0.00843548
-1.74202039 0.68314591 -6.83242216
0.00059528 -0.00049912 0.00086940
-0.00300235 0.01579870 -0.00321951
-4.74552021 0.59096804 -6.19033161
0.00027117 0.00101914 -0.00010875
0.01291107 0.00417625 0.00119871
-3.05143630 -4.52076504 -18.67957020
-0.00059453 0.00008081 -0.00067827
-0.01084298 0.02518565 0.01568323
-3.67774025 -1.59180937 -18.50283576
-0.00012560 0.00004286 0.00040523
0.00292408 0.01237850 -0.01190706
13.84663981 17.78287939 -20.23442610
0.00029986 0.00081010 -0.00074697
0.00868621 0.01694540 0.01586388
12.53381580 15.92493198 -21.69908382
0.00005206 0.00036069 0.00109260
-0.00293083 -0.01447569 -0.00687863
-13.94440695 17.12572890 -11.73188864
0.00006226 -0.00044155 0.00059025
0.00490947 -0.00141106 0.00493435
-14.60808334 15.99086605 -14.41755628
0.00048351 0.00039040 -0.00025050
0.00637167 0.02987443 0.02704562
2.01938662 15.79304436 6.32969341
-0.00014531 0.00068729 -0.00014796
-0.01051585 0.00581929 0.00106605
0.06464141 15.88777540 8.62882996
-0.00046462 0.00100325 -0.00109932
-0.04760244 0.03652632 0.01672405
-4.69443485 -8.00526030 2.51319262
0.00096268 0.00072612 -0.00030325
-0.00918133 -0.01144421 0.01926911
-3.15707117 -10.39189359 3.02552114
0.00034767 -0.00061839 -0.00027866
-0.02116285 0.01835401 0.01401937
1.22709514 -3.85823724 3.29953473
-0.00051244 0.00116407 0.00086000
0.01504094 0.00806453 -0.01394770
3.33219055 -4.42013769 0.99053933
0.00049155 0.00044234 -0.00009565
-0.03960130 -0.01174437 0.04203434
8.17883940 7.73220033 3.58476836
0.00067862 -0.00084947 0.00024845
-0.01464797 0.00342990 -0.01708460
11.21289658 7.87855297 3.67803529
-0.00054047 -0.00031030 -0.00019027
-0.00254568 0.00154000 0.00436775
-7.79965581 -11.35326546 -2.30596931
0.00039582 -0.00133474 0.00082054
-0.00653963 -0.00958466 0.00629524
-10.38660070 -9.96025296 -1.20153913
0.00053418 -0.00013945 0.00022135
0.01059996 -0.00033898 0.00148547
5.24264649 -16.02080693 -12.93043065
0.00008274 -0.00087479 -0.00196319
-0.00614468 -0.00029379 -0.00712397
2.67366826 -16.38134932 -11.77772886
-0.00089045 0.00103770 -0.00026429
-0.03355821 -0.03304601 0.05172334
4.64247404 -4.76515811 -4.50827974
-0.00100274 0.00080569 -0.00039292
0.00353219 -0.00203153 -0.00450150
5.23030716 -6.68226930 -2.37498651
-0.00052150 0.00029565 0.00040666
-0.01879469 0.01486314 -0.01135180
16.71066477 2.63830823 24.43646318
-0.00008855 -0.00003576 0.00088438
-0.00386160 -0.00654506 -0.00492457
19.36525371 3.14440089 25.46299388
-0.00051012 0.00018746 -0.00086142
0.00033811 -0.00431565 -0.00775641
-9.61536024 0.81461444 1.43647515
0.00035820 -0.00054080 -0.00051511
-0.00013261 -0.00098366 -0.00199873
-10.00189294 3.35288588 2.75013094
0.00011291 0.00026657 0.00016077
0.00464263 0.00324786 -0.00666515
-5.02228834 13.62033631 -8.56378087
0.00000535 0.00044699 -0.00000255
0.00030988 0.00406126 -0.00311237
-7.59211193 12.27335628 -8.97918606
-0.00038055 -0.00048965 -0.00049289
0.00792281 -0.00011464 -0.00891496
1.42288670 11.74356712 -6.59271013
0.00016622 -0.00077065 -0.00078424
-0.00813248 0.00991169 -0.00924145
2.02971119 14.50497831 -6.21168102
0.00095270 0.00093182 0.00000581
0.00083969 -0.00999511 -0.01349324
-10.72573887 8.28572766 -13.11112491
-0.00040633 0.00048798 0.00029275
-0.00985164 0.03309664 0.02528628
-11.76606240 10.05283690 -10.79277559
0.00028629 0.00000052 0.00067951
-0.00252900 -0.00989022 0.00034182
7.53910220 5.27269068 13.48833346
-0.00144540 0.00022575 0.00060554
-0.01251311 0.01688621 -0.01366226
9.66266162 3.81669463 14.50162604
-0.00026197 -0.00076593 0.00041035
-0.00419046 -0.00214194 0.00023004
-14.20043031 11.22050847 -7.21593729
0.00010307 0.00158878 -0.00069242
-0.00443262 -0.01565292 -0.01176162
-16.93437592 10.76861296 -7.94911625
-0.00017570 -0.00019955 -0.00015609
-0.01261165 0.00376920 -0.00376045
9.27782129 9.35228750 -2.38890215
-0.00003135 0.00022726 -0.00110641
-0.01398490 -0.02984067 -0.01859705
7.72876948 8.05579921 -4.54675530
-0.00016459 0.00073406 0.00014793
-0.02550829 0.01653713 -0.04722445
14.47263966 -19.09537146 -27.41472620
-0.00004559 -0.00041337 -0.00009105
0.00299930 0.02536622 -0.01426106
13.44391319 -20.26321065 -25.00925978
0.00043936 0.00003489 0.00033718
0.01421625 -0.00644948 -0.02045610
4.94302219 5.06044452 2.05044874
0.00037453 0.00024848 -0.00083365
0.00554018 -0.01668226 0.00668843
5.46249189 6.97623214 0.01777837
-0.00058680 -0.00051440 0.00081551
0.01154022 0.00410589 -0.03144625
20.01467269 -5.78495581 -6.92899953
0.00050350 0.00174838 -0.00004866
-0.02282459 -0.00271743 0.00144176
17.07248186 -4.98359148 -6.23957611
-0.00043140 0.00010786 -0.00050843
0.02054687 -0.00980479 -0.01237545
-2.61078273 -0.71737310 -0.98078835
0.00003911 0.00030332 -0.00034779
0.01021081 -0.02082136 -0.02349805
-2.18692691 -1.66620039 -3.90110849
-0.00069180 -0.00024727 -0.00016803
-0.00648900 0.00022748 0.03574165
3.94087835 -3.50992453 -12.43801673
0.00031150 -0.00092559 -0.00066524
-0.00411999 0.00693050 0.00447639
1.10917602 -2.87440082 -11.81002269
0.00019815 -0.00031811 -0.00003897
0.00395022 0.00492344 -0.00062684
19.84474867 8.60281548 -7.87519007
0.00028284 0.00053354 0.00045457
-0.00318208 0.00347207 0.02100802
21.01071665 8.08835720 -5.19559149
-0.00016207 -0.00022916 -0.00055078
-0.02005963 0.01623978 -0.01315431
-7.13076997 3.98303920 8.83893202
-0.00074831 0.00110231 -0.00040637
0.00434280 -0.02587063 -0.00152640
-6.95963366 6.44394315 10.28049064
0.00085667 -0.00074012 -0.00069555
-0.01066772 -0.00259103 -0.01095745
-2.00284285 -17.87857448 11.57745153
0.00069080 -0.00028667 -0.00009651
0.00269137 -0.01141526 0.00390579
-2.81779688 -15.67954558 9.93811101
-0.00006586 -0.00057072 -0.00025110
0.00879102 0.00279331 0.00865521
8.46557585 -0.42319801 -3.11049421
0.00092107 0.00064318 0.00086133
0.00764094 -0.00647692 0.01115917
7.61773068 1.38291653 -5.25205633
0.00043950 0.00006095 -0.00006604
-0.00003604 -0.01379312 -0.00628549
0.34204566 -11.90430538 1.92117082
-0.00019493 -0.00034526 0.00022280
-0.00898118 -0.00216682 -0.00755777
-1.09105834 -10.56699464 -0.25469071
-0.00091338 0.00008696 0.00016474
-0.00378088 -0.00845439 0.00270828
-19.37550578 -1.27069052 6.87681894
0.00101731 0.00070046 0.00056072
0.00057258 -0.00114130 0.01216567
-21.38985845 0.53951528 5.96491525
0.00000646 0.00011053 -0.00024064
0.02118941 -0.01343122 -0.01385238
-5.10418167 8.16089431 -26.57010985
-0.00039660 0.00038147 -0.00201642
-0.02201725 0.00217214 0.02029418
-5.23746605 7.63454362 -23.76798601
-0.00070660 0.00057041 -0.00024780
-0.02227191 0.00323150 -0.01113540
4.17693498 1.76083068 -2.37514960
-0.00051429 0.00066748 0.00054812
-0.01582308 0.00774543 0.00435467
2.08816921 0.17063882 -1.42758291
-0.00081015 -0.00039233 0.00005433
-0.01379155 0.02161389 -0.00376075
14.95933957 7.65336784 5.87240668
0.00007861 0.00039717 0.00056245
-0.00786560 -0.00979439 -0.00226476
15.45741020 9.80788414 4.13556259
-0.00022206 0.00115948 -0.00012096
0.00783293 0.02612461 -0.00844806
1.57024732 -11.75211651 -13.92785914
0.00018815 0.00008434 -0.00013328
0.00825925 0.00658482 0.00391661
-13.57061760 14.66261051 22.78668213
-0.00003185 0.00013205 0.00014252
-0.00504525 -0.00049092 -0.00219257
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02520391
0.34739868
462.89132660
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1334126555
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3291073617 (a.u.)
total exchange computation time: 2.6490521431 s
-153.9882927247
-931.37399551
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555232558
ExchangeOperator: pair fraction: ispin=0: 0.1325473229
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3284163493 (a.u.)
total exchange computation time: 2.6089799404 s
-153.9895153089
Anderson extrapolation: theta=0.8864721353 (0.8864721353)
-931.37366336
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1329367226
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3282925389 (a.u.)
total exchange computation time: 2.6992740631 s
-153.9917748518
Anderson extrapolation: theta=0.3454390354 (0.3454390354)
-931.37382048
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1329367226
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3281902453 (a.u.)
total exchange computation time: 2.6979899406 s
-153.9930369681
Anderson extrapolation: theta=0.3720940691 (0.3720940691)
-931.37384351
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1329367226
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3281134821 (a.u.)
total exchange computation time: 2.6999530792 s
-153.9938060333
Anderson extrapolation: theta=1.4173755261 (1.4173755261)
-931.37385130
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1329367226
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3279994134 (a.u.)
total exchange computation time: 2.6983990669 s
-153.9948751653
Anderson extrapolation: theta=0.4692496277 (0.4692496277)
-931.37385925
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1329367226
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3279572677 (a.u.)
total exchange computation time: 2.7004218102 s
-153.9952227995
Anderson extrapolation: theta=1.0241242171 (1.0241242171)
-931.37386237
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1329367226
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3279362470 (a.u.)
total exchange computation time: 2.6998929977 s
-153.9953504336
Anderson extrapolation: theta=0.4343227250 (0.4343227250)
-931.37386466
-22.008095 -126.660299 -244.537838
-137.093550 458.054817 -805.523316
-159.101645 331.394518 -1050.061154
1112.548465
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1329367226
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3279471608 (a.u.)
total exchange computation time: 2.6464610100 s
678.23075840
-1082.63679404
89.81785600
-389.77986302
-174.67787555
77.67718245
551.60419304
0.00000000
-931.37386537
-9.18513642 -5.35559688 9.77605914
0.00016312 -0.00003211 0.00020763
-0.03177021 0.04073294 -0.02006561
-13.78096769 5.02220395 8.93100945
0.00010400 -0.00003204 -0.00010897
-0.00449424 0.02473176 0.00231152
-15.85303104 1.54008497 2.97301320
-0.00008787 -0.00008596 0.00007642
0.03034180 0.02151779 -0.04010151
2.37405374 -19.65643821 13.35955166
-0.00016503 -0.00005850 0.00028522
0.01954211 -0.05818263 0.02858474
9.85694141 20.81294420 0.41679565
0.00042243 -0.00009848 -0.00033003
0.01844477 -0.01297177 -0.02433944
-11.21811463 12.79503981 15.21080420
-0.00018275 -0.00006840 0.00004248
-0.00975691 -0.00853785 -0.03488017
-5.98674203 1.08340713 -12.91326348
0.00016027 -0.00021358 0.00011151
-0.00782421 -0.00027904 0.02600200
-8.89260011 6.72475745 -6.83892102
0.00006449 0.00020096 0.00005449
-0.02209041 -0.01341791 0.00614750
-7.40065861 -3.75315516 18.02248468
0.00035207 -0.00024726 -0.00007979
-0.00026624 0.01718600 0.02155608
-23.47014345 -7.59491275 -23.59902546
-0.00026477 -0.00019751 -0.00037283
0.01701367 -0.02089981 -0.00437890
8.50975918 13.16846412 6.64871845
0.00034470 0.00048125 0.00004600
-0.02097329 0.02832530 -0.03428150
23.09360864 28.80778721 -3.05173354
-0.00028544 -0.00039669 0.00035968
0.00013849 0.02546175 0.01392074
9.44141499 0.05296698 -14.64679701
0.00016803 0.00027789 -0.00019040
-0.01520383 0.00376246 -0.01528791
-9.11126172 -1.09863334 12.49111037
-0.00021343 -0.00005589 -0.00029155
-0.01767636 -0.01362030 0.03347756
-2.14527160 -25.91914865 10.53572876
-0.00007624 0.00002257 -0.00000931
-0.00554292 -0.00719493 0.00183907
-15.26924939 -4.10879309 -7.28388854
-0.00014976 -0.00002627 -0.00020734
0.00785962 -0.01328388 0.00651844
-19.43154309 -11.03773491 -18.22725782
0.00002813 0.00003272 -0.00007393
0.02546433 0.02119304 -0.03686690
21.10411311 5.40274309 4.67960450
-0.00047194 0.00016563 0.00013383
0.00110256 -0.00579348 0.00582234
19.48719455 -11.55167410 -13.29520951
0.00050119 0.00030452 0.00028432
-0.00730861 -0.00594737 0.02012717
-3.21334335 -0.34235146 -6.55380279
-0.00033875 -0.00026707 0.00010674
0.00193394 -0.01124815 -0.00471447
-3.72583450 -3.15386103 -17.59014888
0.00032150 0.00008771 -0.00011673
0.00639143 -0.03246159 -0.00023558
14.26161616 16.40848847 -21.31002004
0.00011717 -0.00004468 -0.00018746
0.00318436 0.00317607 -0.00677659
-14.57556850 17.67414989 -13.34587331
0.00007677 0.00046031 -0.00028736
-0.01162914 -0.03876799 -0.02424582
1.39999020 15.08121697 7.88069951
-0.00014910 -0.00023679 -0.00036403
0.05239816 -0.04232692 -0.01717903
-4.38187920 -9.19921262 3.91409724
0.00025707 0.00007590 -0.00010243
0.02814696 -0.01482301 -0.03766418
2.10201483 -5.15009846 2.31344595
0.00002739 -0.00011714 -0.00008493
0.02525413 0.01224563 -0.01923285
9.66401202 7.18817217 4.40557259
-0.00004887 0.00022189 -0.00026228
0.02724201 -0.01458495 0.02036620
-9.28287250 -10.30406879 -2.62161578
-0.00029229 -0.00012819 0.00029034
-0.00179008 0.00623104 -0.00385825
3.42213323 -15.62018843 -13.12028813
-0.00012081 -0.00007552 0.00002877
0.04250254 0.03358400 -0.05066987
3.81014662 -5.70458387 -3.16045745
0.00027566 -0.00009563 0.00049079
0.01522029 -0.01161961 0.01164462
18.39456583 1.90294517 24.47018770
-0.00000274 -0.00015283 -0.00015299
0.00012984 -0.00113795 0.00642616
-8.92234317 2.50295718 1.52976111
-0.00031894 -0.00037899 0.00005754
-0.00645221 0.00137073 0.00557151
-5.94008679 12.55510034 -9.78337107
0.00044970 -0.00043648 0.00012942
-0.01760047 -0.00581295 0.00751588
1.61112320 13.30008401 -7.57570564
-0.00000562 0.00008512 0.00022951
0.01008541 0.00102161 0.02635280
-11.15598058 10.04799271 -12.50373088
-0.00039131 -0.00013235 -0.00005969
0.01372925 -0.02015032 -0.01839061
7.83702040 3.92218354 14.62885232
0.00005636 -0.00033023 0.00008601
0.01694706 -0.01410306 0.01298443
-15.37632885 9.86651241 -7.79927146
0.00033944 0.00039454 0.00062644
0.01711827 0.01531457 0.01174934
8.58431035 7.71708926 -3.07037903
-0.00037703 -0.00031136 0.00006304
0.03771854 0.01189086 0.06523362
14.16738182 -20.70342010 -26.69607225
-0.00005784 0.00010687 0.00018590
-0.01953712 -0.01141036 0.03766513
5.11500018 6.82849197 1.75521672
0.00012004 -0.00028991 0.00032524
-0.01229719 0.02033440 0.02697450
18.24484546 -5.85765024 -7.50590763
-0.00022912 0.00003093 0.00023128
0.00520696 0.01408912 0.02297455
-1.95413290 -2.14964583 -2.04117611
-0.00005915 -0.00024092 0.00019791
-0.00656629 0.02340486 -0.00161508
2.79414888 -2.10815688 -12.02968908
-0.00000053 -0.00002175 0.00003959
0.00723954 -0.01751536 -0.00006572
19.71345332 9.19293948 -6.09172657
0.00028322 -0.00040771 0.00021542
0.02145348 -0.02802778 -0.00599473
-7.66242471 5.71304671 8.72508964
-0.00016132 -0.00022644 -0.00038716
0.00276186 0.04636614 0.01373851
-1.74144603 -16.10624951 11.37611271
0.00016587 -0.00005542 -0.00006569
-0.01253484 0.00961724 -0.01122072
7.60594848 -0.40527968 -4.71767690
-0.00000411 0.00036550 -0.00033394
0.00316349 0.04119507 0.02225509
-1.03816622 -12.21563559 0.68381929
-0.00007926 -0.00020673 0.00011009
0.00888768 0.01402842 0.00410040
-19.98890417 -0.52943412 5.31653193
-0.00018939 0.00050181 0.00005887
-0.02185732 0.01476035 0.00250222
-6.45287188 7.97033618 -25.16636172
0.00011754 0.00019946 0.00000891
0.06385397 -0.00274950 0.00105855
2.38914218 1.96895014 -1.86463359
-0.00023444 0.00000538 -0.00015731
0.03078742 -0.03962409 0.00103445
14.64893602 8.21086401 4.13667685
-0.00034112 -0.00022413 -0.00000630
0.00411898 -0.00565988 0.00938213
-8.22285627 -6.74415783 10.24069905
0.00001373 0.00047016 -0.00032859
0.02197500 -0.04152704 0.00545469
-10.31397038 -5.72765946 8.35469014
-0.00050617 0.00084527 0.00040536
0.01295300 -0.00670650 0.01510407
-13.12165984 5.90412047 7.42826818
-0.00028727 -0.00098194 -0.00074213
-0.00502525 -0.00893415 0.00311386
-13.69776962 3.25207689 8.59777007
0.00089764 -0.00016581 0.00110308
0.00617461 -0.01480507 -0.00269556
-14.66419557 1.54433237 4.30451795
0.00046298 -0.00019648 -0.00084325
0.01241656 0.00380782 0.02297046
-17.32455978 0.83368485 3.62402307
-0.00019948 -0.00002616 0.00065344
-0.04316269 -0.02165123 0.02159078
2.56752070 -21.53111932 12.81644960
-0.00067727 0.00043490 0.00054784
-0.00260092 0.04990949 0.00421742
3.31245563 -19.69154283 15.02610242
-0.00001591 -0.00068358 -0.00120552
-0.02022439 0.00617631 -0.03690864
9.20036149 19.09949326 0.08852576
0.00015291 0.00100729 -0.00067112
0.00015081 0.01065465 0.01434017
8.77378574 21.82066433 1.46404762
0.00014978 -0.00010983 0.00021441
-0.02317775 -0.00367247 0.00414570
-10.54265655 12.11890087 16.74180692
-0.00000439 0.00000885 -0.00077268
0.01283522 -0.00449493 0.02867608
-11.36109045 14.55108882 15.52391075
0.00063122 0.00087995 0.00095238
-0.00252123 0.01848232 0.00228058
-5.99288739 0.07631023 -14.41563362
-0.00002472 0.00044112 -0.00053171
-0.00214280 -0.00846484 0.00128262
-6.97404603 0.25964771 -11.45999567
-0.00164895 0.00042781 0.00053593
0.01349399 0.00591212 -0.02958723
-7.99786525 8.28601980 -6.67353169
0.00072977 -0.00012609 -0.00084960
0.00212590 0.00198292 -0.00135270
-9.84141022 6.64080570 -5.22737635
0.00043133 0.00127111 -0.00037322
0.00890261 0.00597431 -0.01747161
-7.65192368 -1.87069629 17.97526620
-0.00018002 0.00078474 -0.00031152
0.00799723 -0.03138750 0.00309201
-7.14934310 -4.23080402 19.85807671
0.00031827 -0.00014561 0.00015834
-0.00838124 0.00625921 -0.02901253
-24.73818917 -6.32151658 -23.46570898
0.00075232 0.00092136 -0.00069740
0.00395238 0.01644416 -0.00321003
-21.77222685 -6.85058016 -23.72469350
-0.00060252 -0.00053060 -0.00071482
-0.02062356 0.00636798 0.00146010
8.65711438 13.08936338 4.80220981
0.00008661 -0.00005670 0.00137465
-0.00161614 0.00545706 0.00915241
9.50275088 11.83580710 7.29974762
0.00113952 0.00005767 -0.00052592
0.01757524 -0.02446977 0.02354385
24.13662875 27.39268119 -2.55491256
0.00010925 0.00048740 -0.00032861
-0.01114771 -0.00299442 0.00000802
22.83454995 29.88589136 -1.52585193
-0.00089519 -0.00111335 0.00065338
-0.00168383 -0.01287031 -0.01643520
11.00903830 -0.76611343 -14.35822738
0.00126907 0.00032379 0.00071788
0.01778418 0.00122778 0.00644879
8.33117238 -1.41118255 -14.68124499
0.00029712 0.00049041 0.00017434
-0.00258769 -0.00177121 0.00769428
-9.74346437 -1.33167986 14.22589727
0.00035828 -0.00087063 -0.00065760
0.01040784 0.01912373 -0.01087817
-9.42162644 -2.82699616 11.95141380
-0.00008195 -0.00135097 0.00052095
0.00698096 -0.00397620 -0.02095525
-3.23362942 -26.47482807 11.94742624
-0.00051823 -0.00039595 0.00046843
0.01137527 0.00011277 0.00452032
-3.36533636 -25.71094148 9.21985282
0.00020646 0.00038060 -0.00001288
0.00050883 0.00601992 -0.01544268
-14.83389927 -2.45880503 -6.45968034
-0.00057488 -0.00001099 -0.00092575
-0.00246995 -0.01071729 -0.00855443
-16.07182359 -3.76228396 -8.84403237
0.00004654 -0.00032206 -0.00047540
-0.01010186 0.00636388 -0.01111194
-18.96601683 -9.48554817 -19.20655359
-0.00058283 -0.00084065 0.00045950
-0.01615753 -0.00734840 0.02437389
-18.17744401 -12.11987491 -19.05592066
0.00010229 -0.00025564 -0.00019800
-0.00615418 -0.01468773 0.01208344
22.55316466 6.04772751 3.81748609
-0.00045125 0.00136217 0.00089799
0.00685728 0.00192425 -0.00462149
20.32452327 6.83062031 5.46346531
0.00082043 0.00060966 -0.00063661
-0.00539172 0.00466195 0.00187315
18.44281508 -10.97105911 -11.82014651
0.00124296 -0.00105166 -0.00066971
0.00450719 -0.00459658 -0.01698501
18.80836163 -10.69514376 -14.72622567
0.00118565 0.00000022 -0.00005678
-0.00895222 0.01282500 -0.00899112
-1.73318320 0.67614322 -6.81947975
0.00057673 -0.00043966 0.00085723
-0.00607953 0.01330627 -0.00273788
-4.74105708 0.60638305 -6.19192619
0.00032459 0.00103448 -0.00010372
0.01323995 0.00333464 0.00126348
-3.06068650 -4.51878107 -18.68926371
-0.00063804 0.00018374 -0.00061443
-0.01045569 0.02519929 0.01557008
-3.67953468 -1.59078711 -18.49712224
-0.00011338 0.00009713 0.00035389
0.00305787 0.01418648 -0.01322358
13.85140384 17.79555015 -20.24514448
0.00033754 0.00087556 -0.00068541
0.00975765 0.01509809 0.01426642
12.53450683 15.92989872 -21.68290560
0.00003523 0.00029901 0.00106258
-0.00530760 -0.01571681 -0.00781534
-13.94332255 17.11906241 -11.72288371
0.00007632 -0.00044176 0.00059572
0.00197150 0.00130742 -0.00225817
-14.60063541 15.99763746 -14.42048501
0.00050881 0.00051224 -0.00014098
0.00601379 0.02976601 0.02656641
2.01688473 15.80353197 6.32750674
-0.00018736 0.00070858 -0.00014230
-0.01006917 0.00460554 0.00170130
0.05621340 15.90394337 8.61285258
-0.00064905 0.00114560 -0.00103525
-0.04267459 0.03315756 0.01463901
-4.68027600 -7.99471916 2.50923430
0.00092612 0.00067506 -0.00022076
-0.00871404 -0.01355086 0.02111354
-3.15250463 -10.40060697 3.02177087
0.00025791 -0.00053973 -0.00021959
-0.02277419 0.02015117 0.01489450
1.21986937 -3.84052910 3.31200733
-0.00044028 0.00118096 0.00079116
0.02028288 0.00020366 -0.01974998
3.33835029 -4.41386241 0.99039267
0.00032745 0.00039233 0.00007825
-0.04072758 -0.01273889 0.04309131
8.18856985 7.71956341 3.58797163
0.00060159 -0.00082904 0.00016866
-0.02306146 0.00656901 -0.02197398
11.20471150 7.87394569 3.67531513
-0.00054344 -0.00030053 -0.00017614
0.00109195 0.00324197 0.00254758
-7.79391895 -11.37358030 -2.29346824
0.00035514 -0.00136375 0.00084111
-0.01337124 -0.00461559 0.00377123
-10.37826321 -9.96235517 -1.19817330
0.00057371 -0.00013960 0.00023192
0.00875211 0.00026724 0.00368675
5.24369937 -16.03393771 -12.96009677
0.00005424 -0.00087672 -0.00198839
-0.00780764 -0.00065545 -0.00521187
2.65928315 -16.36679646 -11.78010829
-0.00102766 0.00090027 -0.00004819
-0.03360711 -0.03422541 0.05406245
4.62754117 -4.75313496 -4.51431151
-0.00098952 0.00079163 -0.00040344
0.00293918 -0.00485400 -0.00064826
5.22190869 -6.67737904 -2.36923442
-0.00058907 0.00035213 0.00036276
-0.01428037 0.01278121 -0.01013734
16.70921815 2.63757133 24.44957794
-0.00010375 -0.00006414 0.00086299
-0.00357685 -0.00734926 -0.00554416
19.35761234 3.14708061 25.44983487
-0.00050426 0.00017252 -0.00088996
0.00252652 -0.00299859 -0.00621135
-9.60999132 0.80647236 1.42868719
0.00035570 -0.00054442 -0.00052157
-0.00109105 -0.00078891 -0.00116314
-10.00005699 3.35698395 2.75233821
0.00013193 0.00027669 0.00013216
0.00466502 0.00170720 -0.00733755
-5.02219853 13.62716555 -8.56391447
0.00000505 0.00046154 -0.00001619
-0.00045979 0.00306468 -0.00356519
-7.59757734 12.26600806 -8.98685262
-0.00034144 -0.00048811 -0.00053106
0.01121804 0.00086561 -0.00976837
1.42513081 11.73231116 -6.60475686
0.00013395 -0.00072534 -0.00082031
-0.00766510 0.01226397 -0.00841686
2.04402745 14.51864937 -6.21200739
0.00095352 0.00088239 -0.00005290
-0.00043851 -0.01420249 -0.01524601
-10.73213564 8.29406149 -13.10595876
-0.00044499 0.00061504 0.00039311
-0.00907492 0.02910270 0.02383950
-11.76184556 10.05254163 -10.78257243
0.00027830 -0.00003964 0.00067355
-0.00138306 -0.00976782 -0.00326131
7.51703774 5.27659438 13.49699785
-0.00149208 0.00028897 0.00055484
-0.01033631 0.01405898 -0.01115631
9.65860364 3.80513999 14.50778838
-0.00027545 -0.00077237 0.00040892
-0.00240744 -0.00100880 -0.00093152
-14.19902003 11.24386052 -7.22668404
0.00008307 0.00152195 -0.00074010
-0.00535963 -0.01705869 -0.01157608
-16.93739786 10.76573523 -7.95157285
-0.00022328 -0.00018642 -0.00017096
-0.01068059 0.00265789 -0.00351651
9.27692253 9.35478204 -2.40606816
-0.00008784 0.00010358 -0.00117977
-0.01366897 -0.03070321 -0.01731319
7.72551896 8.06731681 -4.54598341
-0.00026816 0.00079959 -0.00004363
-0.02519119 0.01554221 -0.04654883
14.47204771 -19.10079466 -27.41652896
-0.00003293 -0.00030476 -0.00015115
0.00320048 0.02779529 -0.01515629
13.45093916 -20.26288487 -25.00482887
0.00049669 0.00000957 0.00025444
0.01385012 -0.00594635 -0.02004872
4.94880983 5.06366059 2.03814899
0.00039514 0.00016828 -0.00080193
0.00454946 -0.02257694 0.00883503
5.45404355 6.96864191 0.02904740
-0.00053750 -0.00049413 0.00067582
0.01259283 0.00582030 -0.03693485
20.02152574 -5.75881344 -6.92968531
0.00040147 0.00173585 -0.00004521
-0.02712028 -0.00341295 0.00024955
17.06664041 -4.98227398 -6.24758173
-0.00034945 0.00006970 -0.00055538
0.01956966 -0.00887434 -0.01061093
-2.60988317 -0.71346135 -0.98672521
0.00008077 0.00021744 -0.00044253
0.01018057 -0.02121865 -0.02287899
-2.19750273 -1.66990244 -3.90253365
-0.00071740 -0.00024781 -0.00001906
-0.00604479 -0.00049348 0.03717811
3.94542458 -3.52359602 -12.44785812
0.00028692 -0.00088674 -0.00064378
-0.00791328 0.01208532 0.00602924
1.11226937 -2.87902163 -11.81062638
0.00021285 -0.00029784 -0.00004141
0.00324234 0.00500041 -0.00056839
19.84889377 8.61092496 -7.86772778
0.00026983 0.00054572 0.00053349
-0.00318881 0.00249102 0.01762336
21.00767089 8.08541747 -5.20425624
-0.00023868 -0.00016722 -0.00059946
-0.01743842 0.01408113 -0.01067740
-7.14186148 3.99878102 8.83278976
-0.00072455 0.00097484 -0.00041279
0.00728718 -0.03652663 -0.00161594
-6.94711051 6.43276193 10.26972166
0.00081277 -0.00074877 -0.00073906
-0.01082177 -0.00164429 -0.01034288
-1.99239836 -17.88322434 11.57612357
0.00070233 -0.00033064 -0.00008076
0.00295411 -0.01010595 0.00380551
-2.81851536 -15.68802076 9.93460980
-0.00002832 -0.00055975 -0.00021423
0.00958526 0.00257605 0.00939089
8.47962597 -0.41374883 -3.09723228
0.00094107 0.00061633 0.00088663
0.00215276 -0.00666455 0.00122383
7.62432202 1.38340813 -5.25323954
0.00043855 0.00000957 -0.00009324
-0.00042689 -0.01135919 -0.00702805
0.33884651 -11.90955066 1.92428116
-0.00023097 -0.00035299 0.00019146
-0.00866096 -0.00161982 -0.00778298
-1.10487485 -10.56594932 -0.25213667
-0.00092721 0.00005013 0.00017723
-0.00298895 -0.00957584 0.00340880
-19.36022853 -1.26021852 6.88560257
0.00101439 0.00070069 0.00060141
-0.00200401 0.00125081 0.00775208
-21.38911229 0.54076163 5.96088112
0.00008825 0.00005924 -0.00029413
0.01884865 -0.01167728 -0.01233174
-5.11080539 8.16668291 -26.59973425
-0.00048934 0.00038904 -0.00192217
-0.02337979 0.00153519 0.02584275
-5.24874748 7.64319879 -23.77204419
-0.00078878 0.00058169 -0.00028799
-0.01795939 0.00228937 -0.00853936
4.16873569 1.77108026 -2.36679434
-0.00057219 0.00069668 0.00056395
-0.01251655 0.00654690 0.00339425
2.07559433 0.16541623 -1.42688321
-0.00086355 -0.00029763 0.00003682
-0.01234781 0.02474087 -0.00480820
14.96027766 7.65902528 5.88077406
0.00004544 0.00035866 0.00054737
-0.00837271 -0.00905544 -0.00511796
15.45431929 9.82607692 4.13348925
-0.00020044 0.00124534 -0.00015536
0.00275243 0.01590499 -0.00839036
1.57309173 -11.75083367 -13.92984780
0.00019114 0.00008671 -0.00013188
0.00844689 0.00663173 0.00391716
-13.57110412 14.66459035 22.78881615
-0.00003306 0.00013196 0.00014203
-0.00540215 -0.00025368 -0.00203403
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02469163
0.34917374
465.25650448
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1329367226
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3276824609 (a.u.)
total exchange computation time: 2.6141262054 s
-153.9893900398
-931.37455770
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1329367226
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3275971293 (a.u.)
total exchange computation time: 2.6131858826 s
-153.9908124225
Anderson extrapolation: theta=1.3633409622 (1.3633409622)
-931.37479955
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1329367226
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3273850516 (a.u.)
total exchange computation time: 2.6159207821 s
-153.9933392892
Anderson extrapolation: theta=0.0630845114 (0.0630845114)
-931.37494872
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1329367226
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3272902183 (a.u.)
total exchange computation time: 2.6127288342 s
-153.9940527214
Anderson extrapolation: theta=2.1771736838 (2.0000000000)
-931.37495635
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1329367226
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3270672000 (a.u.)
total exchange computation time: 2.6135511398 s
-153.9956362842
Anderson extrapolation: theta=0.3335418969 (0.3335418969)
-931.37496596
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1329367226
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3269829954 (a.u.)
total exchange computation time: 2.6144537926 s
-153.9961465075
Anderson extrapolation: theta=1.2494642718 (1.2494642718)
-931.37496836
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1329367226
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3268928312 (a.u.)
total exchange computation time: 2.6142830849 s
-153.9965947026
Anderson extrapolation: theta=0.4093118742 (0.4093118742)
-931.37497049
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1329367226
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3268744559 (a.u.)
total exchange computation time: 2.6134569645 s
-153.9965844457
Anderson extrapolation: theta=0.9268645360 (0.9268645360)
-931.37497118
-21.989733 -126.624688 -244.554887
-137.089357 458.092949 -805.567734
-159.079090 331.468261 -1050.122621
1112.625222
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1329367226
ExchangeOperator: bisection time: 1.246 s
total exchange = -52.3268727758 (a.u.)
total exchange computation time: 2.6578249931 s
678.21157070
-1082.59881708
89.82120102
-389.80677792
-174.67527556
77.65687191
551.60419304
0.00000000
-931.37497160
-9.18281216 -5.35592136 9.77909617
0.00014599 -0.00001003 0.00019708
-0.03484437 0.04512480 -0.02094686
-13.77942496 5.02181875 8.92938382
0.00010156 -0.00001941 -0.00010784
-0.00500671 0.02440062 0.00209515
-15.85423199 1.53887861 2.97400482
-0.00007345 -0.00007535 0.00005563
0.02573075 0.01972665 -0.04075915
2.37165362 -19.65754008 13.36394025
-0.00015596 -0.00008779 0.00029848
0.01572693 -0.05572825 0.02296761
9.86334908 20.81141703 0.41175134
0.00043170 -0.00010311 -0.00034163
0.01756894 -0.00503686 -0.02077827
-11.22089346 12.79398095 15.21130686
-0.00018835 -0.00006986 0.00002402
-0.01203288 0.00285497 -0.03692058
-5.98436822 1.08020231 -12.91149061
0.00015570 -0.00021406 0.00012530
-0.00992405 -0.00158068 0.02765773
-8.89171801 6.72772015 -6.83808001
0.00005373 0.00019418 0.00005671
-0.01975865 -0.01295808 0.00248920
-7.39537865 -3.75679782 18.02137096
0.00035166 -0.00023699 -0.00006869
-0.00129816 0.02277652 0.02161111
-23.47404933 -7.59795609 -23.60463485
-0.00025692 -0.00020818 -0.00037502
0.01351433 -0.02057388 -0.00411751
8.51484875 13.17579218 6.64927622
0.00033474 0.00049459 0.00003131
-0.01775081 0.02355278 -0.02286054
23.08932756 28.80193509 -3.04628466
-0.00028609 -0.00038279 0.00036638
-0.00266653 0.02859071 0.01212867
9.44387681 0.05714978 -14.64971203
0.00016272 0.00027924 -0.00019781
-0.00546768 0.00151164 -0.01350569
-9.11453139 -1.09952420 12.48686624
-0.00022259 -0.00006462 -0.00027551
-0.01794599 -0.02032794 0.02890103
-2.14643664 -25.91883787 10.53559617
-0.00007947 0.00001847 -0.00000730
-0.00698667 -0.00875213 0.00597193
-15.27146541 -4.10923838 -7.28697352
-0.00014604 -0.00003338 -0.00020452
0.00660509 -0.01435263 0.00445090
-19.43102298 -11.03716243 -18.22850898
0.00004103 0.00004164 -0.00009208
0.02469975 0.01350614 -0.03369937
21.09703831 5.40520524 4.68163435
-0.00047051 0.00016245 0.00013619
0.00445363 -0.00656963 0.00336015
19.49468421 -11.54712923 -13.29086701
0.00049895 0.00030050 0.00029292
-0.00140749 -0.00970617 0.01329728
-3.21841708 -0.34640092 -6.55221981
-0.00033695 -0.00027198 0.00010420
0.00506244 -0.00785282 -0.00516312
-3.72098732 -3.15267061 -17.59190067
0.00032461 0.00007091 -0.00011647
0.00570451 -0.03287558 0.00123483
14.26338599 16.40783054 -21.31285807
0.00011903 -0.00004214 -0.00019022
0.00404891 0.00670530 -0.00396915
-14.57446179 17.68090498 -13.35027730
0.00007158 0.00043983 -0.00029780
-0.00856259 -0.04086435 -0.01632066
1.39795580 15.07750187 7.87517273
-0.00012412 -0.00025697 -0.00037218
0.04475336 -0.03614904 -0.01450471
-4.37791464 -9.19813130 3.91241555
0.00027167 0.00006832 -0.00012223
0.02862744 -0.01466577 -0.03934894
2.10252313 -5.15180839 2.31209781
0.00003923 -0.00010886 -0.00009350
0.02076705 0.01998217 -0.01410876
9.66338404 7.19144429 4.40171690
-0.00003390 0.00021325 -0.00025016
0.03097733 -0.01901284 0.02678386
-9.28726372 -10.30596766 -2.61727552
-0.00029089 -0.00012648 0.00028802
0.00722208 0.00042305 -0.00518238
3.42048502 -15.62119168 -13.12005208
-0.00009899 -0.00005832 0.00000250
0.04235761 0.03329810 -0.05147541
3.81434018 -5.70606313 -3.15305066
0.00028233 -0.00010016 0.00049530
0.01073498 -0.00600654 0.00588671
18.39452521 1.90064826 24.46791760
-0.00000336 -0.00015359 -0.00014997
-0.00254205 -0.00178896 0.00533978
-8.92715219 2.49727762 1.53064569
-0.00032194 -0.00037795 0.00006036
-0.00520167 0.00268901 0.00540432
-5.93340912 12.54853067 -9.78140081
0.00044012 -0.00043944 0.00013368
-0.01966775 -0.00567674 0.00904059
1.61107781 13.30136475 -7.57216139
-0.00000027 0.00008609 0.00024313
0.01070388 0.00274873 0.02661948
-11.16179731 10.04592967 -12.50469718
-0.00038481 -0.00014146 -0.00006775
0.01154130 -0.01526959 -0.01293820
7.83793117 3.91717563 14.63019262
0.00006391 -0.00033679 0.00009214
0.01242938 -0.01137225 0.01083848
-15.37117121 9.87248959 -7.78982951
0.00034777 0.00040292 0.00063236
0.01525349 0.01727583 0.01125463
8.57880033 7.71246479 -3.06918179
-0.00035825 -0.00030482 0.00009532
0.03532561 0.01352095 0.06029131
14.16643881 -20.70186103 -26.69313853
-0.00006772 0.00010052 0.00020507
-0.01888517 -0.01330893 0.03690208
5.11675328 6.82422182 1.76019930
0.00011371 -0.00027851 0.00033963
-0.01231900 0.02397742 0.02898441
18.24142876 -5.85713189 -7.50234980
-0.00022515 0.00003807 0.00024275
0.01021275 0.01366980 0.02161946
-1.95504554 -2.15316934 -2.03821373
-0.00006257 -0.00022881 0.00019659
-0.00673018 0.02369335 -0.00350728
2.79416882 -2.10855072 -12.02909554
0.00000431 -0.00003192 0.00003911
0.01159757 -0.02201154 -0.00178916
19.71778434 9.18671565 -6.08851840
0.00029326 -0.00042112 0.00021260
0.01761135 -0.02410987 -0.00497230
-7.66483393 5.70982895 8.71933520
-0.00016061 -0.00020032 -0.00038029
0.00001839 0.05521896 0.01297179
-1.73900631 -16.10704374 11.37508409
0.00015927 -0.00005093 -0.00007153
-0.01315234 0.00786306 -0.01147746
7.60589901 -0.39963833 -4.72260016
-0.00000116 0.00038577 -0.00031997
0.00833285 0.03763050 0.03206045
-1.03932084 -12.21868244 0.68548644
-0.00007502 -0.00019939 0.00011202
0.00761658 0.01451872 0.00340148
-19.99182935 -0.52184998 5.31742468
-0.00019920 0.00050814 0.00006088
-0.01629497 0.00985348 0.00530522
-6.45086252 7.97331747 -25.16622397
0.00014939 0.00019851 0.00000744
0.05999349 -0.00093444 -0.00677865
2.38574431 1.96887801 -1.86698917
-0.00021998 -0.00001532 -0.00015627
0.02545718 -0.04086215 0.00300329
14.64383507 8.20748028 4.13661860
-0.00033757 -0.00022459 -0.00000090
0.00970917 0.00386388 0.01161940
-8.22197687 -6.73837793 10.23593733
0.00010894 0.00029179 -0.00030460
0.02462953 -0.04578920 0.00628989
-10.32116603 -5.71518593 8.36123345
-0.00045234 0.00081709 0.00046741
0.01340010 -0.00708513 0.01526749
-13.12612285 5.88911765 7.41723170
-0.00030666 -0.00101699 -0.00072978
-0.00446638 -0.00822582 0.00292966
-13.68411579 3.24913610 8.61423373
0.00092257 -0.00022691 0.00109210
0.00602790 -0.01510566 -0.00268145
-14.65687036 1.54150187 4.29257305
0.00051653 -0.00018086 -0.00074556
0.01379597 0.00383564 0.02484876
-17.32887458 0.83262901 3.63448626
-0.00036922 -0.00011128 0.00073938
-0.03992802 -0.02001834 0.02047995
2.55728190 -21.52306643 12.82479639
-0.00068763 0.00063260 0.00056180
-0.00246904 0.04686766 0.00261861
3.31159728 -19.70160734 15.00688864
-0.00009100 -0.00065667 -0.00134155
-0.01653580 0.00699712 -0.02967895
9.20265979 19.11492908 0.07889845
0.00014978 0.00103889 -0.00061487
-0.00168530 0.00481404 0.01319383
8.77532223 21.81890436 1.46739078
0.00006029 -0.00012870 0.00022637
-0.02062973 -0.00556743 0.00170894
-10.54232903 12.11889583 16.73109544
0.00005135 -0.00001419 -0.00064729
0.01444805 -0.00678172 0.03270197
-11.35169947 14.56485446 15.53826633
0.00062225 0.00093722 0.00095817
-0.00186607 0.00955153 0.00055349
-5.99332381 0.08266765 -14.42356996
-0.00003435 0.00040752 -0.00052308
-0.00257175 -0.00798204 0.00294196
-6.99836676 0.26624599 -11.45286341
-0.00158861 0.00045305 0.00040832
0.01604229 0.00644656 -0.03287846
-7.98685356 8.28418920 -6.68631715
0.00073825 -0.00011775 -0.00085550
0.00202614 0.00209756 -0.00153492
-9.83466747 6.66005549 -5.23350998
0.00046321 0.00129431 -0.00043704
0.00670371 0.00538137 -0.01377264
-7.65437898 -1.85988696 17.97068819
-0.00014552 0.00064509 -0.00029815
0.00889464 -0.03697156 0.00345279
-7.14482593 -4.23279643 19.85956282
0.00028360 -0.00011979 0.00003851
-0.00858911 0.00638263 -0.02964792
-24.72678332 -6.30719221 -23.47626830
0.00076797 0.00098668 -0.00071044
0.00371260 0.01552565 -0.00317214
-21.78189665 -6.85834396 -23.73537107
-0.00067927 -0.00050355 -0.00070908
-0.01694352 0.00686998 0.00134814
8.65836393 13.08868016 4.82310999
0.00008037 -0.00003373 0.00139169
-0.00143493 0.00578277 -0.00080904
9.52038223 11.83592235 7.29258021
0.00120449 -0.00003356 -0.00043184
0.01422812 -0.02018745 0.02251065
24.13792586 27.39990040 -2.55984140
0.00006938 0.00046748 -0.00032601
-0.00836759 -0.00675470 0.00126497
22.82107048 29.86879666 -1.51655482
-0.00090191 -0.00116435 0.00058691
-0.00160319 -0.01209351 -0.01610432
11.02861929 -0.76121903 -14.34726156
0.00132354 0.00033680 0.00074097
0.00888179 0.00514387 0.00485409
8.33554988 -1.40388074 -14.67839405
0.00028549 0.00047991 0.00020561
-0.00310638 -0.00336422 0.00761233
-9.73777126 -1.34415334 14.21569987
0.00039834 -0.00079076 -0.00069421
0.00920242 0.01997621 -0.00704114
-9.42264181 -2.84738251 11.95858592
-0.00005026 -0.00135457 0.00043620
0.00853290 0.00221268 -0.02053309
-3.24105430 -26.48076379 11.95459120
-0.00046706 -0.00039284 0.00047925
0.01367501 0.00140596 0.00077534
-3.36222386 -25.70504800 9.21918647
0.00020659 0.00040562 -0.00007675
-0.00044676 0.00622735 -0.01582339
-14.84259822 -2.45929834 -6.47382872
-0.00058320 -0.00005089 -0.00095758
-0.00160128 -0.00881380 -0.00702531
-16.07143503 -3.76691992 -8.85150380
0.00000603 -0.00029678 -0.00051915
-0.00972589 0.00601247 -0.01030559
-18.97525441 -9.49838303 -19.19891416
-0.00064490 -0.00085810 0.00055128
-0.01422366 -0.00119449 0.02055105
-18.17609825 -12.12415956 -19.05852034
0.00007470 -0.00031299 -0.00014700
-0.00735081 -0.01338706 0.01288148
22.54660600 6.06821899 3.83081432
-0.00042259 0.00136579 0.00087809
0.00717337 -0.00015096 -0.00511907
20.33666455 6.83990812 5.45397358
0.00079099 0.00063443 -0.00062310
-0.00902224 0.00746111 0.00473722
18.46159754 -10.98697484 -11.83071261
0.00125117 -0.00106350 -0.00072569
-0.00048709 -0.00120062 -0.01041789
18.82587202 -10.69474742 -14.72735294
0.00114780 0.00005382 -0.00009367
-0.00957403 0.01341140 -0.00906429
-1.72471859 0.66995602 -6.80670514
0.00054550 -0.00039056 0.00084697
-0.00920801 0.01073098 -0.00228494
-4.73578251 0.62200243 -6.19344333
0.00037901 0.00104640 -0.00009840
0.01339674 0.00250005 0.00134054
-3.07057750 -4.51525273 -18.69800300
-0.00067936 0.00028533 -0.00055208
-0.00977310 0.02452657 0.01494672
-3.68114171 -1.58889541 -18.49221913
-0.00010074 0.00015757 0.00029802
0.00313044 0.01539767 -0.01412207
13.85676587 17.80914622 -20.25498851
0.00037959 0.00093221 -0.00063126
0.01082863 0.01263238 0.01224025
12.53487257 15.93390223 -21.66720636
0.00000933 0.00023268 0.00102919
-0.00736694 -0.01675224 -0.00852896
-13.94211732 17.11247605 -11.71401718
0.00007877 -0.00043094 0.00057261
-0.00077196 0.00399120 -0.00905068
-14.59281891 16.00623312 -14.42178559
0.00053252 0.00063247 -0.00003436
0.00559263 0.02908702 0.02562557
2.01376573 15.81430183 6.32542433
-0.00022740 0.00072490 -0.00013434
-0.00952871 0.00338199 0.00219644
0.04517004 15.92214345 8.59777237
-0.00080934 0.00127134 -0.00098154
-0.03579091 0.02839295 0.01165519
-4.66665120 -7.98500850 2.50656994
0.00089121 0.00061630 -0.00013179
-0.00837788 -0.01521240 0.02243580
-3.14933384 -10.40808536 3.01893344
0.00016272 -0.00045476 -0.00015770
-0.02382336 0.02144194 0.01540013
1.21388667 -3.82280848 3.32326953
-0.00034829 0.00116747 0.00070025
0.02474659 -0.00680533 -0.02474913
3.34201400 -4.40836785 0.99288691
0.00016049 0.00033906 0.00025462
-0.04099758 -0.01333764 0.04324011
8.19688696 7.70732909 3.58982819
0.00049156 -0.00079660 0.00006967
-0.03079592 0.00931089 -0.02648165
11.19659333 7.86953711 3.67275110
-0.00053128 -0.00028371 -0.00016965
0.00486110 0.00498924 0.00063049
-7.78900155 -11.39417800 -2.28073605
0.00028802 -0.00137330 0.00085160
-0.01948669 -0.00005803 0.00136572
-10.36938934 -9.96444100 -1.19458153
0.00060318 -0.00013634 0.00025331
0.00567362 0.00132953 0.00678353
5.24427375 -16.04710866 -12.99008229
0.00001919 -0.00088013 -0.00200559
-0.00935101 -0.00101202 -0.00320767
2.64283838 -16.35434114 -11.77917445
-0.00116145 0.00076150 0.00017108
-0.03188101 -0.03370506 0.05327148
4.61278842 -4.74140928 -4.52038300
-0.00097862 0.00076598 -0.00039811
0.00239826 -0.00770134 0.00325881
5.21263502 -6.67170548 -2.36410362
-0.00063687 0.00039909 0.00032469
-0.00911908 0.01020624 -0.00849745
16.70755231 2.63638402 24.46235292
-0.00011767 -0.00009580 0.00083911
-0.00323734 -0.00814703 -0.00614510
19.35012581 3.14957656 25.43629520
-0.00048937 0.00016331 -0.00091205
0.00476252 -0.00150861 -0.00460175
-9.60468926 0.79828193 1.42082794
0.00034931 -0.00054712 -0.00052463
-0.00203790 -0.00053369 -0.00033548
-9.99793513 3.36118666 2.75409579
0.00015075 0.00028073 0.00010111
0.00454881 0.00026698 -0.00786305
-5.02213691 13.63418261 -8.56426657
0.00000135 0.00047171 -0.00003191
-0.00134859 0.00191083 -0.00412918
-7.60235523 12.25871288 -8.99511784
-0.00028979 -0.00048279 -0.00057232
0.01406725 0.00174070 -0.01043131
1.42690516 11.72180682 -6.61731942
0.00010355 -0.00067120 -0.00085258
-0.00721764 0.01423814 -0.00738031
2.05831683 14.53145001 -6.21326812
0.00094938 0.00081672 -0.00011774
-0.00158746 -0.01794279 -0.01649357
-10.73908857 8.30417890 -13.09933159
-0.00047988 0.00072352 0.00048656
-0.00800228 0.02399587 0.02190316
-11.75771347 10.05164773 -10.77256915
0.00027484 -0.00007910 0.00065291
-0.00031030 -0.00955031 -0.00684221
7.49433982 5.28135970 13.50497851
-0.00152926 0.00033921 0.00051535
-0.00786579 0.01053309 -0.00817085
9.65439812 3.79352352 14.51389363
-0.00028125 -0.00077419 0.00040275
-0.00043349 0.00011754 -0.00208915
-14.19793822 11.26616710 -7.23814024
0.00005996 0.00144999 -0.00078663
-0.00595166 -0.01816607 -0.01119914
-16.94107437 10.76302039 -7.95424496
-0.00026240 -0.00017796 -0.00018465
-0.00846886 0.00148450 -0.00318708
9.27518605 9.35539489 -2.42429522
-0.00014208 -0.00002161 -0.00124686
-0.01288298 -0.03057711 -0.01552873
7.72072457 8.07978694 -4.54806432
-0.00036775 0.00085979 -0.00022769
-0.02355567 0.01392490 -0.04354755
14.47165190 -19.10451439 -27.41926060
-0.00001992 -0.00018863 -0.00021382
0.00316610 0.02905370 -0.01552240
13.45881396 -20.26292352 -25.00162666
0.00055193 -0.00001334 0.00017469
0.01319027 -0.00526642 -0.01898609
4.95487630 5.06549302 2.02639070
0.00041197 0.00006537 -0.00076193
0.00368966 -0.02779738 0.01074826
5.44636698 6.96140838 0.03805284
-0.00048457 -0.00046716 0.00051679
0.01331719 0.00738073 -0.04090944
20.02671669 -5.73288023 -6.93035579
0.00028332 0.00172035 -0.00004617
-0.03071101 -0.00417812 -0.00071923
17.06199831 -4.98150037 -6.25623766
-0.00027223 0.00003583 -0.00059458
0.01823330 -0.00770818 -0.00857571
-2.60835968 -0.71085001 -0.99406423
0.00012174 0.00013112 -0.00053368
0.00987394 -0.02103158 -0.02173899
-2.20844901 -1.67363473 -3.90168030
-0.00074119 -0.00025111 0.00013430
-0.00559763 -0.00112288 0.03789255
3.94948584 -3.53652686 -12.45733000
0.00024784 -0.00082808 -0.00061627
-0.01121677 0.01663350 0.00743723
1.11556143 -2.88333598 -11.81126490
0.00022446 -0.00027740 -0.00004356
0.00244314 0.00500666 -0.00048762
19.85284344 8.61918710 -7.85918541
0.00025687 0.00055367 0.00059735
-0.00315497 0.00139917 0.01363535
21.00355639 8.08334072 -5.21357538
-0.00030346 -0.00011509 -0.00063726
-0.01427321 0.01143594 -0.00782240
-7.15250639 4.01228427 8.82654846
-0.00068920 0.00080506 -0.00041957
0.01001655 -0.04657856 -0.00170547
-6.93525060 6.42147995 10.25831880
0.00076868 -0.00075327 -0.00077932
-0.01076194 -0.00055619 -0.00936415
-1.98177282 -17.88849357 11.57502883
0.00071495 -0.00036841 -0.00006557
0.00322014 -0.00838464 0.00362947
-2.81864640 -15.69633807 9.93168412
0.00001193 -0.00054953 -0.00017504
0.01011783 0.00242906 0.00979126
8.49380802 -0.40470810 -3.08389535
0.00093946 0.00058877 0.00087300
-0.00294345 -0.00682632 -0.00789675
7.63088720 1.38320357 -5.25485347
0.00043612 -0.00003111 -0.00012350
-0.00076259 -0.00855190 -0.00778701
0.33511657 -11.91489521 1.92691452
-0.00026524 -0.00035840 0.00015962
-0.00811525 -0.00102502 -0.00780318
-1.11887453 -10.56549087 -0.24937372
-0.00093775 0.00000906 0.00019239
-0.00217446 -0.01052678 0.00401189
-19.34507410 -1.24966987 6.89486129
0.00100081 0.00071052 0.00062409
-0.00464450 0.00356067 0.00334940
-21.38721096 0.54129233 5.95609122
0.00015909 0.00001619 -0.00034085
0.01582998 -0.00939559 -0.01053518
-5.11886198 8.17256560 -26.62777485
-0.00058636 0.00039413 -0.00180637
-0.02411242 0.00095510 0.03083986
-5.26112958 7.65199426 -23.77662572
-0.00085217 0.00058879 -0.00031607
-0.01307023 0.00118495 -0.00520755
4.15976930 1.78173108 -2.35823105
-0.00061540 0.00072081 0.00057563
-0.00863726 0.00526643 0.00232144
2.06226270 0.16170992 -1.42647818
-0.00091109 -0.00019162 0.00001537
-0.01092381 0.02715268 -0.00569414
14.96070262 7.66412775 5.88882779
0.00001029 0.00032318 0.00052093
-0.00883185 -0.00831520 -0.00782712
15.45139708 9.84524447 4.13090169
-0.00019914 0.00128975 -0.00018931
-0.00211973 0.00583365 -0.00822708
1.57598150 -11.74951523 -13.93181544
0.00019420 0.00008909 -0.00013048
0.00863612 0.00667388 0.00389881
-13.57160945 14.66656931 22.79094310
-0.00003432 0.00013193 0.00014158
-0.00546617 0.00000106 -0.00187295
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02467695
0.35029465
466.75006216
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1336722553
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3274613535 (a.u.)
total exchange computation time: 2.6179840565 s
-153.9957672649
-931.37490825
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1336722553
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3274110757 (a.u.)
total exchange computation time: 2.6189541817 s
-153.9970116282
Anderson extrapolation: theta=1.3501501762 (1.3501501762)
-931.37514348
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1336722553
ExchangeOperator: bisection time: 1.246 s
total exchange = -52.3272560058 (a.u.)
total exchange computation time: 2.6172940731 s
-153.9993332990
Anderson extrapolation: theta=0.0523308018 (0.0523308018)
-931.37528474
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1336722553
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3271740380 (a.u.)
total exchange computation time: 2.6170749664 s
-154.0000483237
Anderson extrapolation: theta=1.8794314115 (1.8794314115)
-931.37529022
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1336722553
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3269900314 (a.u.)
total exchange computation time: 2.6179640293 s
-154.0015799080
Anderson extrapolation: theta=0.2174306593 (0.2174306593)
-931.37529617
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1336722553
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3269370903 (a.u.)
total exchange computation time: 2.6165709496 s
-154.0019611880
Anderson extrapolation: theta=1.8608228964 (1.8608228964)
-931.37529738
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1336722553
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3268520877 (a.u.)
total exchange computation time: 2.6185657978 s
-154.0025100603
Anderson extrapolation: theta=0.2990617249 (0.2990617249)
-931.37529903
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1336722553
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3268419321 (a.u.)
total exchange computation time: 2.6172552109 s
-154.0025113017
Anderson extrapolation: theta=1.3399022870 (1.3399022870)
-931.37529946
-21.980000 -126.592598 -244.568223
-137.089527 458.130870 -805.613561
-159.069527 331.538272 -1050.181784
1112.700552
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1336722553
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3268405242 (a.u.)
total exchange computation time: 2.6401410103 s
678.20762961
-1082.59587746
89.82395990
-389.80883586
-174.67533551
77.65681710
551.60419304
0.00000000
-931.37529984
-9.18075670 -5.35589772 9.78197160
0.00012770 0.00001385 0.00018635
-0.03627321 0.04773965 -0.02077528
-13.77792085 5.02162179 8.92777435
0.00009885 -0.00000715 -0.00010681
-0.00553081 0.02325660 0.00190779
-15.85523444 1.53782444 2.97468201
-0.00006161 -0.00006585 0.00003487
0.02030344 0.01723334 -0.03996694
2.36937482 -19.65907189 13.36850603
-0.00014907 -0.00011554 0.00030863
0.01106785 -0.05219537 0.01648922
9.86989229 20.80985101 0.40654673
0.00044050 -0.00010356 -0.00035133
0.01665206 0.00327897 -0.01693593
-11.22376512 12.79294410 15.21152469
-0.00019497 -0.00006563 0.00000476
-0.01372490 0.01357821 -0.03795049
-5.98207098 1.07698528 -12.90950436
0.00015013 -0.00021517 0.00013977
-0.01174098 -0.00272174 0.02859384
-8.89098834 6.73058288 -6.83721980
0.00004426 0.00018768 0.00005694
-0.01704022 -0.01232543 -0.00159285
-7.39010872 -3.76026477 18.02042395
0.00035074 -0.00022408 -0.00005771
-0.00229108 0.02741615 0.02108763
-23.47785095 -7.60115814 -23.61027602
-0.00025104 -0.00021859 -0.00037705
0.00931822 -0.01989998 -0.00379430
8.51980137 13.18330195 6.64965764
0.00032657 0.00050535 0.00002274
-0.01400445 0.01827044 -0.01043387
23.08502591 28.79630354 -3.04074221
-0.00028817 -0.00036736 0.00037206
-0.00541344 0.03142643 0.00995369
9.44629645 0.06134425 -14.65273124
0.00016231 0.00027948 -0.00020429
0.00388235 -0.00057500 -0.01170904
-9.11793951 -1.10057187 12.48284507
-0.00023181 -0.00007667 -0.00026191
-0.01790396 -0.02652685 0.02398729
-2.14765559 -25.91859462 10.53550964
-0.00008342 0.00001361 -0.00000335
-0.00839578 -0.01015509 0.00941596
-15.27363047 -4.10979439 -7.29002416
-0.00014303 -0.00004107 -0.00020291
0.00507458 -0.01556270 0.00181458
-19.43031233 -11.03648575 -18.23002011
0.00005344 0.00004643 -0.00010843
0.02358149 0.00513078 -0.02990972
21.08999788 5.40761670 4.68369012
-0.00046735 0.00015897 0.00013731
0.00781294 -0.00695933 0.00102064
19.50216301 -11.54265923 -13.28642192
0.00049983 0.00029458 0.00029765
0.00481511 -0.01331410 0.00510386
-3.22345175 -0.35051096 -6.55067666
-0.00033353 -0.00027517 0.00010144
0.00822291 -0.00452952 -0.00557681
-3.71609613 -3.15173381 -17.59364293
0.00032732 0.00005422 -0.00011544
0.00482344 -0.03199762 0.00276735
14.26518705 16.40722434 -21.31572672
0.00012123 -0.00003773 -0.00019153
0.00451939 0.01044632 -0.00110658
-14.57342115 17.68734482 -13.35480721
0.00006789 0.00041844 -0.00030422
-0.00578149 -0.04230710 -0.00866066
1.39626665 15.07350789 7.86953405
-0.00010339 -0.00027373 -0.00037879
0.03583946 -0.02903772 -0.01118238
-4.37372922 -9.19716313 3.91043030
0.00028642 0.00006082 -0.00014269
0.02876408 -0.01449509 -0.04020537
2.10319164 -5.15336417 2.31064082
0.00004877 -0.00009692 -0.00009945
0.01634782 0.02642049 -0.00902899
9.66299505 7.19456973 4.39806783
-0.00001732 0.00020248 -0.00023489
0.03349866 -0.02289086 0.03258090
-9.29159923 -10.30786326 -2.61297524
-0.00028502 -0.00012765 0.00028497
0.01560023 -0.00497910 -0.00667434
3.41916359 -15.62193805 -13.12021315
-0.00007772 -0.00004164 -0.00002345
0.04034454 0.03155794 -0.04943737
3.81861655 -5.70758874 -3.14559845
0.00028653 -0.00010172 0.00049678
0.00558414 -0.00006191 -0.00012357
18.39446499 1.89833755 24.46568870
-0.00000536 -0.00015471 -0.00014750
-0.00522265 -0.00258219 0.00426204
-8.93200134 2.49161881 1.53157196
-0.00032427 -0.00037628 0.00006307
-0.00385501 0.00380564 0.00510887
-5.92688318 12.54191721 -9.77936080
0.00042957 -0.00044229 0.00013864
-0.02137216 -0.00541635 0.01027301
1.61111499 13.30266669 -7.56841177
0.00000539 0.00008790 0.00025672
0.01132299 0.00430162 0.02624692
-11.16752500 10.04374882 -12.50576328
-0.00037947 -0.00014782 -0.00007294
0.00922783 -0.00944342 -0.00726502
7.83893782 3.91207998 14.63161653
0.00006906 -0.00034181 0.00009709
0.00758996 -0.00816981 0.00839376
-15.36589588 9.87860005 -7.78030073
0.00035503 0.00041225 0.00063798
0.01297961 0.01898918 0.01061783
8.57356284 7.70794463 -3.06751942
-0.00034107 -0.00029751 0.00012449
0.03147299 0.01489855 0.05314078
14.16535010 -20.70040464 -26.68992011
-0.00007715 0.00009345 0.00022356
-0.01775381 -0.01416655 0.03498680
5.11841135 6.82013665 1.76540548
0.00010741 -0.00026543 0.00035468
-0.01217426 0.02688498 0.02957142
18.23809085 -5.85650809 -7.49862519
-0.00021872 0.00004496 0.00025340
0.01482277 0.01309809 0.01981085
-1.95601011 -2.15651006 -2.03527840
-0.00006601 -0.00021671 0.00019435
-0.00661566 0.02335551 -0.00519874
2.79427823 -2.10911437 -12.02851581
0.00001128 -0.00004421 0.00003778
0.01549144 -0.02579971 -0.00338295
19.72225123 9.18030582 -6.08534860
0.00030122 -0.00043238 0.00021033
0.01331617 -0.01967477 -0.00384432
-7.66724300 5.70703720 8.71368084
-0.00016124 -0.00016999 -0.00037389
-0.00248063 0.06270571 0.01191963
-1.73666806 -16.10777731 11.37396693
0.00015241 -0.00004743 -0.00007740
-0.01351507 0.00572622 -0.01135019
7.60591382 -0.39370668 -4.72727608
0.00000431 0.00040414 -0.00030122
0.01290723 0.03381653 0.04085146
-1.04041670 -12.22161727 0.68717983
-0.00007148 -0.00019185 0.00011356
0.00615311 0.01478201 0.00261388
-19.99488023 -0.51418983 5.31835835
-0.00020601 0.00051189 0.00006422
-0.01016969 0.00470050 0.00767297
-6.44839033 7.97629155 -25.16613851
0.00017902 0.00019850 0.00000193
0.05524848 0.00088997 -0.01464990
2.38254284 1.96849065 -1.86932159
-0.00020834 -0.00003647 -0.00015424
0.01980660 -0.04139436 0.00486157
14.63880902 8.20412635 4.13664999
-0.00033125 -0.00022030 0.00000558
0.01484363 0.01279716 0.01357370
-8.21958802 -6.73540428 10.23156110
0.00021237 0.00009993 -0.00027841
0.02599777 -0.04812724 0.00652738
-10.32754043 -5.70314661 8.36871244
-0.00039748 0.00078721 0.00052913
0.01345118 -0.00754487 0.01494347
-13.13085958 5.87361069 7.40637476
-0.00032363 -0.00104896 -0.00071848
-0.00384320 -0.00742364 0.00260024
-13.67009253 3.24526954 8.63053305
0.00094680 -0.00028767 0.00108146
0.00583380 -0.01463534 -0.00252467
-14.64869965 1.53890644 4.28215102
0.00057424 -0.00016518 -0.00064188
0.01445085 0.00384162 0.02590500
-17.33563641 0.83034633 3.64620459
-0.00052245 -0.00018819 0.00081932
-0.03507776 -0.01762825 0.01864739
2.54689178 -21.51214121 12.83330367
-0.00069735 0.00081555 0.00056857
-0.00228659 0.04268470 0.00069219
3.30972552 -19.71124303 14.98585595
-0.00014928 -0.00062654 -0.00144544
-0.01199085 0.00775272 -0.02117612
9.20485481 19.13065994 0.07007974
0.00013880 0.00104578 -0.00056368
-0.00368819 -0.00143953 0.01186514
8.77559441 21.81680318 1.47083867
-0.00001837 -0.00015545 0.00022802
-0.01787377 -0.00752508 -0.00089829
-10.54111604 12.11847516 16.72238815
0.00011282 -0.00004557 -0.00050753
0.01563936 -0.00857880 0.03571084
-11.34242286 14.57920548 15.55265584
0.00061568 0.00095824 0.00095676
-0.00135381 0.00073802 -0.00124426
-5.99391784 0.08853587 -14.43132600
-0.00004566 0.00037619 -0.00050748
-0.00296658 -0.00735533 0.00469286
-7.02170432 0.27323935 -11.44774615
-0.00151868 0.00047982 0.00026879
0.01818998 0.00665468 -0.03542002
-7.97571770 8.28248716 -6.69919668
0.00074606 -0.00010943 -0.00086226
0.00179419 0.00197791 -0.00177655
-9.82751388 6.67963507 -5.24048769
0.00048548 0.00131514 -0.00048473
0.00419622 0.00481217 -0.00956762
-7.65628916 -1.85134348 17.96632179
-0.00010767 0.00048502 -0.00028339
0.00963192 -0.04138445 0.00376910
-7.14083515 -4.23439769 19.85923192
0.00024828 -0.00009386 -0.00008254
-0.00869946 0.00631046 -0.02960308
-24.71514995 -6.29191632 -23.48702203
0.00078323 0.00104733 -0.00072333
0.00375326 0.01416405 -0.00314084
-21.79260485 -6.86568673 -23.74596602
-0.00073998 -0.00047427 -0.00070391
-0.01277461 0.00746329 0.00118374
8.65952554 13.08835135 4.84396059
0.00007499 -0.00000979 0.00136650
-0.00120089 0.00593941 -0.01152517
9.53888557 11.83480038 7.28679238
0.00125454 -0.00010577 -0.00034275
0.01027203 -0.01516267 0.02110219
24.13871015 27.40670565 -2.56469272
0.00004098 0.00043227 -0.00031831
-0.00553413 -0.01048072 0.00250213
22.80749276 29.85096079 -1.50824468
-0.00090840 -0.00121162 0.00052268
-0.00157748 -0.01104434 -0.01533363
11.04874461 -0.75600938 -14.33599826
0.00134208 0.00036536 0.00075740
0.00018976 0.00883357 0.00318656
8.33973701 -1.39678511 -14.67507658
0.00027190 0.00046304 0.00023658
-0.00354478 -0.00489666 0.00754513
-9.73151417 -1.35540256 14.20507094
0.00043312 -0.00070787 -0.00071427
0.00782283 0.02059941 -0.00278027
-9.42313423 -2.86763325 11.96449965
-0.00001255 -0.00133342 0.00035311
0.00992615 0.00814273 -0.02013951
-3.24764108 -26.48661334 11.96180369
-0.00040709 -0.00038465 0.00047527
0.01567704 0.00260214 -0.00272141
-3.35913873 -25.69877287 9.21755037
0.00020334 0.00043133 -0.00014140
-0.00114509 0.00635877 -0.01582638
-14.85139531 -2.46033183 -6.48840766
-0.00058787 -0.00008251 -0.00098293
-0.00068271 -0.00666297 -0.00538326
-16.07164254 -3.77118740 -8.85960683
-0.00003244 -0.00027316 -0.00055859
-0.00910599 0.00554814 -0.00900264
-18.98536372 -9.51129110 -19.19001523
-0.00069848 -0.00084889 0.00062626
-0.01200492 0.00570210 0.01615509
-18.17520300 -12.12926464 -19.06033056
0.00004249 -0.00036496 -0.00009303
-0.00841586 -0.01205380 0.01353395
22.54048698 6.08870121 3.84382882
-0.00039317 0.00136067 0.00085645
0.00722980 -0.00235431 -0.00547395
20.34825289 6.84965319 5.44477218
0.00074718 0.00067007 -0.00059837
-0.01242290 0.00998327 0.00737216
18.48035015 -11.00296415 -11.84191719
0.00123762 -0.00106106 -0.00075289
-0.00614706 0.00239534 -0.00289578
18.84279564 -10.69352914 -14.72903571
0.00110795 0.00010911 -0.00012974
-0.00993125 0.01365542 -0.00859100
-1.71681831 0.66442647 -6.79407056
0.00050167 -0.00035193 0.00083844
-0.01224511 0.00817827 -0.00189170
-4.72968692 0.63777503 -6.19487832
0.00043371 0.00105496 -0.00009275
0.01338101 0.00169078 0.00142518
-3.08106745 -4.51022125 -18.70582625
-0.00071734 0.00038280 -0.00049332
-0.00881839 0.02318466 0.01381673
-3.68255689 -1.58606005 -18.48818152
-0.00008790 0.00022160 0.00023941
0.00315319 0.01594564 -0.01457202
13.86279155 17.82351648 -20.26408239
0.00042593 0.00097783 -0.00058600
0.01185433 0.00970020 0.00991830
12.53478683 15.93687907 -21.65202983
-0.00002405 0.00016268 0.00099337
-0.00897450 -0.01751169 -0.00900486
-13.94095941 17.10613430 -11.70570532
0.00007057 -0.00040939 0.00052300
-0.00324456 0.00655449 -0.01523428
-14.58465966 16.01661141 -14.42151567
0.00055441 0.00074877 0.00006751
0.00512091 0.02784622 0.02423851
2.01006275 15.82527897 6.32347654
-0.00026505 0.00073623 -0.00012464
-0.00890362 0.00216509 0.00255105
0.03193318 15.94208361 8.58340646
-0.00093880 0.00137545 -0.00094107
-0.02758094 0.02257023 0.00815458
-4.65353984 -7.97623015 2.50528059
0.00085742 0.00055170 -0.00003850
-0.00816192 -0.01640835 0.02323155
-3.14762309 -10.41424965 3.01703982
0.00006433 -0.00036552 -0.00009445
-0.02433910 0.02224010 0.01555980
1.20942059 -3.80550493 3.33301495
-0.00023967 0.00112719 0.00059061
0.02842275 -0.01291446 -0.02892288
3.34316512 -4.40369070 0.99803118
-0.00000589 0.00028414 0.00042984
-0.04044790 -0.01354627 0.04253099
8.20331669 7.69566540 3.59006180
0.00035240 -0.00075413 -0.00004637
-0.03732265 0.01148048 -0.03032178
11.18877309 7.86543430 3.67022572
-0.00050371 -0.00025979 -0.00017104
0.00863671 0.00671966 -0.00130989
-7.78527842 -11.41477926 -2.26792015
0.00019761 -0.00136513 0.00085239
-0.02476633 0.00405875 -0.00097804
-10.36016775 -9.96644534 -1.19057402
0.00062016 -0.00012889 0.00028744
0.00263564 0.00231707 0.00992451
5.24427504 -16.06034163 -13.02026441
-0.00002181 -0.00088499 -0.00201447
-0.01071969 -0.00136806 -0.00114031
2.62443975 -16.34395147 -11.77497580
-0.00128460 0.00062799 0.00038100
-0.02840247 -0.03164905 0.04948620
4.59818266 -4.73015560 -4.52625478
-0.00096970 0.00072882 -0.00037695
0.00196590 -0.01049018 0.00709876
5.20280248 -6.66540641 -2.35949359
-0.00066241 0.00043462 0.00029415
-0.00337988 0.00718635 -0.00645274
16.70568806 2.63469741 24.47475129
-0.00013014 -0.00013068 0.00081282
-0.00286815 -0.00892675 -0.00672548
19.34293115 3.15198005 25.42247351
-0.00046536 0.00016043 -0.00092753
0.00699285 0.00009644 -0.00297994
-9.59951210 0.79005879 1.41294814
0.00033909 -0.00054865 -0.00052434
-0.00296403 -0.00021447 0.00048185
-9.99553450 3.36540572 2.75537147
0.00016880 0.00027912 0.00006824
0.00428537 -0.00105214 -0.00822484
-5.02215794 13.64131678 -8.56487173
-0.00000594 0.00047716 -0.00004991
-0.00222017 0.00075963 -0.00468286
-7.60627100 12.25152438 -9.00402236
-0.00022750 -0.00047407 -0.00061572
0.01642490 0.00252850 -0.01081185
1.42823717 11.71217508 -6.63033430
0.00007489 -0.00060977 -0.00088026
-0.00680744 0.01583434 -0.00616871
2.07250892 14.54315100 -6.21553969
0.00094083 0.00073678 -0.00018668
-0.00260127 -0.02118817 -0.01725037
-10.74653193 8.31576694 -13.09136205
-0.00050978 0.00080890 0.00057116
-0.00663556 0.01780216 0.01951106
-11.75360041 10.05016853 -10.76298520
0.00027552 -0.00011750 0.00061796
0.00064576 -0.00924474 -0.01026588
7.47115983 5.28677055 13.51245841
-0.00155586 0.00037404 0.00048867
-0.00515464 0.00652018 -0.00489135
9.65016604 3.78191425 14.51987084
-0.00027873 -0.00077144 0.00039188
0.00166647 0.00122783 -0.00322956
-14.19722116 11.28736035 -7.25028280
0.00003497 0.00137422 -0.00083128
-0.00628324 -0.01892483 -0.01065965
-16.94526991 10.76039653 -7.95711239
-0.00029179 -0.00017447 -0.00019685
-0.00591905 0.00022125 -0.00278640
9.27266001 9.35413379 -2.44347399
-0.00019240 -0.00014454 -0.00130590
-0.01174827 -0.02960045 -0.01337354
7.71448653 8.09311046 -4.55281409
-0.00045839 0.00091216 -0.00039545
-0.02081312 0.01170921 -0.03857243
14.47145013 -19.10645353 -27.42294355
-0.00000756 -0.00006986 -0.00027682
0.00288181 0.02908587 -0.01531722
13.46749713 -20.26328492 -24.99958804
0.00060392 -0.00003312 0.00010060
0.01225902 -0.00441708 -0.01728436
4.96116889 5.06562184 2.01529114
0.00042562 -0.00005688 -0.00071467
0.00299354 -0.03204897 0.01238311
5.43950656 6.95462719 0.04455110
-0.00042940 -0.00043421 0.00034515
0.01368492 0.00874655 -0.04311176
20.03002548 -5.70720309 -6.93107035
0.00015210 0.00170164 -0.00005060
-0.03352474 -0.00497619 -0.00144910
17.05847366 -4.98119915 -6.26541915
-0.00020116 0.00000714 -0.00062498
0.01655208 -0.00633583 -0.00630343
-2.60623106 -0.70952762 -1.00273556
0.00016090 0.00004679 -0.00061916
0.00929813 -0.02025217 -0.02010653
-2.21973835 -1.67743584 -3.89850466
-0.00076315 -0.00025681 0.00028916
-0.00515323 -0.00166461 0.03791410
3.95285967 -3.54843829 -12.46634608
0.00019633 -0.00075217 -0.00058335
-0.01399487 0.02052039 0.00867610
1.11900322 -2.88734350 -11.81193330
0.00023267 -0.00025705 -0.00004535
0.00157663 0.00495463 -0.00038851
19.85659976 8.62753500 -7.84980739
0.00024412 0.00055699 0.00064383
-0.00308272 0.00022723 0.00912006
20.99856714 8.08196483 -5.22337392
-0.00035425 -0.00007472 -0.00066269
-0.01059044 0.00832413 -0.00462971
-7.16253741 4.02293289 8.82020264
-0.00064353 0.00059681 -0.00042678
0.01234058 -0.05536117 -0.00182218
-6.92405024 6.41016388 10.24634205
0.00072527 -0.00075307 -0.00081487
-0.01048414 0.00065302 -0.00803593
-1.97094993 -17.89427665 11.57415653
0.00072864 -0.00039848 -0.00005122
0.00348054 -0.00633517 0.00339610
-2.81815735 -15.70450651 9.92935851
0.00005382 -0.00053975 -0.00013491
0.01038584 0.00235590 0.00985291
8.50780969 -0.39608573 -3.07104238
0.00091807 0.00056062 0.00082419
-0.00752606 -0.00695471 -0.01599432
7.63740564 1.38247490 -5.25694463
0.00043244 -0.00005972 -0.00015689
-0.00104098 -0.00545191 -0.00855502
0.33088927 -11.92030259 1.92906964
-0.00029685 -0.00036129 0.00012810
-0.00735736 -0.00038847 -0.00762469
-1.13300748 -10.56567756 -0.24636489
-0.00094495 -0.00003553 0.00020980
-0.00134821 -0.01129985 0.00451074
-19.33020432 -1.23890300 6.90432528
0.00097646 0.00072946 0.00062914
-0.00727312 0.00571246 -0.00087781
-21.38433947 0.54124721 5.95065567
0.00021634 -0.00001656 -0.00037974
0.01219171 -0.00663309 -0.00850075
-5.12839632 8.17850682 -26.65392539
-0.00068525 0.00039695 -0.00167126
-0.02429380 0.00042423 0.03529740
-5.27431271 7.66086235 -23.78152640
-0.00089461 0.00059110 -0.00032921
-0.00770004 -0.00005244 -0.00122214
4.15027357 1.79270465 -2.34952549
-0.00064181 0.00073960 0.00058277
-0.00429009 0.00392993 0.00117386
2.04826160 0.15966769 -1.42642213
-0.00095290 -0.00007725 -0.00000936
-0.00954339 0.02883152 -0.00640918
14.96058631 7.66872060 5.89640182
-0.00002661 0.00029064 0.00048389
-0.00923076 -0.00760976 -0.01030411
15.44834495 9.86476954 4.12780993
-0.00021694 0.00129414 -0.00022239
-0.00658990 -0.00368638 -0.00796789
1.57891762 -11.74816095 -13.93376214
0.00019732 0.00009149 -0.00012909
0.00881856 0.00670833 0.00386285
-13.57213381 14.66854827 22.79306352
-0.00003558 0.00013194 0.00014115
-0.00536271 0.00008839 -0.00179112
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02471979
0.35058006
467.13034993
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1326771228
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3282419831 (a.u.)
total exchange computation time: 2.6566948891 s
-154.0062662968
-931.37408571
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1326771228
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3282197172 (a.u.)
total exchange computation time: 2.6558070183 s
-154.0073379497
Anderson extrapolation: theta=1.3960027725 (1.3960027725)
-931.37432896
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1326771228
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3281156980 (a.u.)
total exchange computation time: 2.6542210579 s
-154.0094149003
Anderson extrapolation: theta=0.0725180360 (0.0725180360)
-931.37448696
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1326771228
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3280478837 (a.u.)
total exchange computation time: 2.6539070606 s
-154.0100946666
Anderson extrapolation: theta=2.3926182706 (2.0000000000)
-931.37449735
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1326771228
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3278947029 (a.u.)
total exchange computation time: 2.6576390266 s
-154.0115556748
Anderson extrapolation: theta=0.4701832553 (0.4701832553)
-931.37451227
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1326771228
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3278300633 (a.u.)
total exchange computation time: 2.6553289890 s
-154.0121221117
Anderson extrapolation: theta=0.9391733205 (0.9391733205)
-931.37451727
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1326771228
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3277942459 (a.u.)
total exchange computation time: 2.6558530331 s
-154.0123899821
Anderson extrapolation: theta=0.5843750310 (0.5843750310)
-931.37452073
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1326771228
ExchangeOperator: bisection time: 1.246 s
total exchange = -52.3277995929 (a.u.)
total exchange computation time: 2.6572539806 s
-154.0122860428
Anderson extrapolation: theta=0.6849353403 (0.6849353403)
-931.37452212
-21.982448 -126.568225 -244.576477
-137.093831 458.167971 -805.660930
-159.076279 331.599746 -1050.237406
1112.772332
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1326771228
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3278227311 (a.u.)
total exchange computation time: 2.6036128998 s
678.22089656
-1082.62944451
89.82515490
-389.78495265
-174.67835428
77.67736464
551.60419304
0.00000000
-931.37452270
-9.17898108 -5.35550577 9.78468676
0.00010912 0.00003861 0.00017598
-0.03598408 0.04851481 -0.01956797
-13.77645941 5.02160425 8.92617960
0.00009587 0.00000433 -0.00010586
-0.00605117 0.02138839 0.00176865
-15.85608025 1.53690321 2.97505086
-0.00005266 -0.00005775 0.00001484
0.01450726 0.01426164 -0.03791698
2.36718140 -19.66100636 13.37319902
-0.00014480 -0.00014120 0.00031524
0.00556396 -0.04758208 0.00923181
9.87656397 20.80831028 0.40121146
0.00044884 -0.00009969 -0.00035902
0.01579083 0.01177489 -0.01296845
-11.22674267 12.79201201 15.21144974
-0.00020229 -0.00005615 -0.00001475
-0.01474350 0.02327153 -0.03792833
-5.97986431 1.07374726 -12.90729752
0.00014370 -0.00021681 0.00015454
-0.01326193 -0.00365822 0.02886325
-8.89039013 6.73335053 -6.83637187
0.00003627 0.00018153 0.00005498
-0.01402874 -0.01157421 -0.00603353
-7.38485646 -3.76352022 18.01963964
0.00034929 -0.00020898 -0.00004711
-0.00333789 0.03129660 0.02013643
-23.48158068 -7.60451371 -23.61594645
-0.00024749 -0.00022856 -0.00037891
0.00452054 -0.01888900 -0.00342395
8.52464596 13.19095266 6.64995856
0.00032041 0.00051334 0.00002072
-0.00995801 0.01278473 0.00256343
23.08068249 28.79091444 -3.03512297
-0.00029162 -0.00035055 0.00037654
-0.00801083 0.03391108 0.00746493
9.44874603 0.06553428 -14.65584078
0.00016654 0.00027871 -0.00020987
0.01258672 -0.00242086 -0.00997615
-9.12148576 -1.10182420 12.47900895
-0.00024095 -0.00009177 -0.00025087
-0.01763944 -0.03220111 0.01892908
-2.14893931 -25.91842971 10.53549576
-0.00008792 0.00000819 0.00000221
-0.00909206 -0.01089345 0.01220895
-15.27575638 -4.11047047 -7.29306081
-0.00014087 -0.00004942 -0.00020278
0.00333583 -0.01691965 -0.00130349
-19.42941975 -11.03576949 -18.23176198
0.00006520 0.00004676 -0.00012271
0.02216049 -0.00384447 -0.02558997
21.08301771 5.40997447 4.68575377
-0.00046249 0.00015542 0.00013729
0.01107990 -0.00685133 -0.00109932
19.50967896 -11.53829195 -13.28193745
0.00050398 0.00028684 0.00029784
0.01133452 -0.01678681 -0.00435548
-3.22842298 -0.35465595 -6.54917654
-0.00032851 -0.00027667 0.00009847
0.01131692 -0.00132737 -0.00596770
-3.71116773 -3.15104387 -17.59536384
0.00032953 0.00003831 -0.00011361
0.00375351 -0.02988272 0.00436342
14.26702298 16.40669873 -21.31860391
0.00012352 -0.00003137 -0.00019139
0.00439090 0.01429071 0.00164835
-14.57242511 17.69345827 -13.35940392
0.00006555 0.00039648 -0.00030680
-0.00332075 -0.04311655 -0.00135833
1.39485399 15.06928990 7.86380910
-0.00008738 -0.00028673 -0.00038363
0.02641533 -0.02150875 -0.00766255
-4.36932190 -9.19630679 3.90813488
0.00030130 0.00005347 -0.00016348
0.02906513 -0.01406189 -0.04063723
2.10398627 -5.15471612 2.30911417
0.00005605 -0.00008198 -0.00010280
0.01196602 0.03168711 -0.00397644
9.66286449 7.19751857 4.39467011
0.00000018 0.00018988 -0.00021687
0.03455796 -0.02609370 0.03751281
-9.29581438 -10.30979728 -2.60872646
-0.00027509 -0.00013147 0.00028114
0.02302315 -0.00985452 -0.00820904
3.41815340 -15.62244095 -13.12075562
-0.00005791 -0.00002614 -0.00004775
0.03669742 0.02873121 -0.04505356
3.82293600 -5.70911482 -3.13814719
0.00028791 -0.00010017 0.00049513
-0.00021272 0.00610968 -0.00631350
18.39436448 1.89600691 24.46349268
-0.00000872 -0.00015627 -0.00014557
-0.00786668 -0.00349182 0.00324134
-8.93688022 2.48598935 1.53253764
-0.00032588 -0.00037408 0.00006559
-0.00240955 0.00473385 0.00469387
-5.92052211 12.53526196 -9.77724153
0.00041826 -0.00044498 0.00014418
-0.02260783 -0.00504006 0.01126506
1.61123953 13.30400182 -7.56445968
0.00001135 0.00009049 0.00026998
0.01184140 0.00574266 0.02530896
-11.17318150 10.04149512 -12.50688544
-0.00037534 -0.00015094 -0.00007519
0.00683559 -0.00270219 -0.00148621
7.84000303 3.90692131 14.63310520
0.00007167 -0.00034512 0.00010074
0.00254578 -0.00469274 0.00582480
-15.36052043 9.88485700 -7.77069004
0.00036100 0.00042241 0.00064326
0.01025258 0.02051511 0.00990418
8.56856816 7.70353941 -3.06544709
-0.00032615 -0.00028956 0.00014957
0.02653960 0.01603547 0.04440179
14.16412443 -20.69905754 -26.68643179
-0.00008587 0.00008620 0.00024078
-0.01618810 -0.01401543 0.03197886
5.11997550 6.81625888 1.77083980
0.00010122 -0.00025108 0.00036966
-0.01189240 0.02890428 0.02868709
18.23486730 -5.85578324 -7.49474774
-0.00021000 0.00005151 0.00026304
0.01908392 0.01238573 0.01765744
-1.95702572 -2.15967060 -2.03238318
-0.00006931 -0.00020493 0.00019129
-0.00624040 0.02243905 -0.00671383
2.79450716 -2.10987706 -12.02796218
0.00002020 -0.00005823 0.00003566
0.01921131 -0.02871193 -0.00485225
19.72682085 9.17374420 -6.08220845
0.00030686 -0.00044125 0.00020866
0.00861775 -0.01479984 -0.00266286
-7.66967122 5.70472919 8.70811844
-0.00016306 -0.00013628 -0.00036809
-0.00458638 0.06839127 0.01064067
-1.73443407 -16.10846670 11.37276221
0.00014543 -0.00004511 -0.00008311
-0.01363798 0.00329438 -0.01087239
7.60602821 -0.38751414 -4.73163684
0.00001197 0.00042053 -0.00027820
0.01689268 0.02991623 0.04867264
-1.04146510 -12.22443808 0.68889338
-0.00006873 -0.00018424 0.00011468
0.00451888 0.01484359 0.00173722
-19.99800957 -0.50649341 5.31935122
-0.00020955 0.00051294 0.00006865
-0.00359462 -0.00058611 0.00956486
-6.44549191 7.97927250 -25.16616607
0.00020605 0.00019943 -0.00000763
0.04986439 0.00272135 -0.02254368
2.37949417 1.96778395 -1.87161650
-0.00019965 -0.00005774 -0.00015130
0.01396916 -0.04131246 0.00658328
14.63389748 8.20087116 4.13678610
-0.00032240 -0.00021153 0.00001299
0.01957450 0.02132434 0.01522503
-8.21560586 -6.73538016 10.22758490
0.00031846 -0.00009721 -0.00025256
0.02593408 -0.04837304 0.00612793
-10.33309047 -5.69156969 8.37710726
-0.00034325 0.00075529 0.00058853
0.01309508 -0.00807815 0.01413616
-13.13583185 5.85764877 7.39567719
-0.00033797 -0.00107751 -0.00070878
-0.00317401 -0.00654948 0.00214811
-13.65571174 3.24050604 8.64667765
0.00097012 -0.00034500 0.00107169
0.00557849 -0.01342634 -0.00225727
-14.63964330 1.53654645 4.27331662
0.00063301 -0.00014950 -0.00053563
0.01431857 0.00383262 0.02610384
-17.34454802 0.82698328 3.65906574
-0.00065336 -0.00025417 0.00089057
-0.02900279 -0.01466977 0.01622964
2.53636152 -21.49860000 12.84185338
-0.00070622 0.00097894 0.00056674
-0.00205795 0.03729739 -0.00158792
3.30711888 -19.72040358 14.96352546
-0.00018724 -0.00059349 -0.00151212
-0.00658970 0.00842743 -0.01146620
9.20682379 19.14630257 0.06198819
0.00011943 0.00102667 -0.00051819
-0.00579157 -0.00791857 0.01040191
8.77477117 21.81424082 1.47423151
-0.00008556 -0.00019010 0.00021891
-0.01501726 -0.00943795 -0.00356403
-10.53894457 12.11752873 16.71586944
0.00017804 -0.00008310 -0.00035795
0.01628963 -0.00979032 0.03751277
-11.33322921 14.59360173 15.56696909
0.00061086 0.00094421 0.00094800
-0.00100152 -0.00760632 -0.00304177
-5.99469368 0.09395332 -14.43879443
-0.00005852 0.00034767 -0.00048464
-0.00332539 -0.00660477 0.00648887
-7.04392709 0.28064055 -11.44479965
-0.00144063 0.00050693 0.00012023
0.02001507 0.00661481 -0.03730230
-7.96447187 8.28090633 -6.71218508
0.00075265 -0.00010205 -0.00087012
0.00143180 0.00163556 -0.00206780
-9.82010312 6.69950958 -5.24805175
0.00049700 0.00133374 -0.00051440
0.00144192 0.00429306 -0.00495672
-7.65760904 -1.84533629 17.96218638
-0.00006717 0.00030915 -0.00026737
0.01019314 -0.04470451 0.00407258
-7.13737754 -4.23561220 19.85708676
0.00021262 -0.00006856 -0.00020198
-0.00875784 0.00607129 -0.02886817
-24.70328655 -6.27577238 -23.49796826
0.00079914 0.00110157 -0.00073610
0.00403470 0.01238775 -0.00310858
-21.80409596 -6.87257210 -23.75648842
-0.00078286 -0.00044247 -0.00069952
-0.00821671 0.00810339 0.00096727
8.66061355 13.08838654 4.86410485
0.00007063 0.00001445 0.00129672
-0.00093336 0.00592461 -0.02263141
9.55801843 11.83274916 7.28229784
0.00128763 -0.00015658 -0.00025990
0.00592640 -0.00970557 0.01945248
24.13915528 27.41286857 -2.56939069
0.00002403 0.00038218 -0.00030569
-0.00276519 -0.01403836 0.00367327
22.79381835 29.83244806 -1.50087428
-0.00091493 -0.00125408 0.00046249
-0.00161484 -0.00974029 -0.01413023
11.06888156 -0.75025836 -14.32453966
0.00132613 0.00040824 0.00076699
-0.00799320 0.01216094 0.00150778
8.34370689 -1.38998959 -14.67129670
0.00025674 0.00044014 0.00026731
-0.00387474 -0.00631435 0.00749806
-9.72477765 -1.36538931 14.19427163
0.00046200 -0.00062287 -0.00071632
0.00631263 0.02100648 0.00177989
-9.42301832 -2.88738496 11.96917911
0.00003043 -0.00128890 0.00027155
0.01111082 0.01364805 -0.01978420
-3.25326708 -26.49230342 11.96884938
-0.00033955 -0.00037213 0.00045782
0.01738499 0.00353005 -0.00582380
-3.35612379 -25.69210803 9.21494433
0.00019809 0.00045731 -0.00020559
-0.00142212 0.00635711 -0.01559035
-14.86023424 -2.46177366 -6.50331651
-0.00058872 -0.00010496 -0.00100140
0.00026495 -0.00432386 -0.00366205
-16.07240812 -3.77511486 -8.86826159
-0.00006797 -0.00025164 -0.00059186
-0.00828988 0.00499015 -0.00728335
-18.99620875 -9.52384970 -19.18012623
-0.00074253 -0.00081023 0.00068231
-0.00955737 0.01322125 0.01127834
-18.17482351 -12.13510846 -19.06131134
0.00000626 -0.00041146 -0.00003674
-0.00932105 -0.01070672 0.01401999
22.53481104 6.10903915 3.85650784
-0.00036397 0.00134635 0.00083361
0.00706107 -0.00465451 -0.00570559
20.35907987 6.86001009 5.43602259
0.00069014 0.00071510 -0.00056352
-0.01549664 0.01206018 0.00968496
18.49872602 -11.01880666 -11.85329924
0.00119986 -0.00104373 -0.00074782
-0.01233579 0.00608675 0.00537689
18.85911063 -10.69147398 -14.73124500
0.00106718 0.00016476 -0.00016282
-0.01002685 0.01358120 -0.00760580
-1.70966849 0.65939815 -6.78155191
0.00044587 -0.00032354 0.00083137
-0.01507123 0.00571717 -0.00156720
-4.72277125 0.65365125 -6.19622596
0.00048802 0.00106026 -0.00008673
0.01320245 0.00090448 0.00152474
-3.09209785 -4.50376887 -18.71280274
-0.00075090 0.00047344 -0.00044018
-0.00760484 0.02118819 0.01219554
-3.68377882 -1.58224745 -18.48503696
-0.00007506 0.00028647 0.00017987
0.00313445 0.01580807 -0.01456904
13.86954373 17.83848123 -20.27256842
0.00047623 0.00101078 -0.00055064
0.01277072 0.00642710 0.00738843
12.53415107 15.93878268 -21.63740517
-0.00006292 0.00009026 0.00095605
-0.01005039 -0.01793703 -0.00926689
-13.94000034 17.10019425 -11.69832712
0.00005289 -0.00037775 0.00044965
-0.00540775 0.00893611 -0.02067099
-14.57618658 16.02869629 -14.41976026
0.00057428 0.00085885 0.00016281
0.00460697 0.02603833 0.02241219
2.00581411 15.83638879 6.32168509
-0.00030004 0.00074264 -0.00011372
-0.00822403 0.00097161 0.00279307
0.01700599 15.96340703 8.56954032
-0.00103341 0.00145468 -0.00091502
-0.01873180 0.01621324 0.00459704
-4.64092870 -7.96845740 2.50541501
0.00082502 0.00048271 0.00005755
-0.00769468 -0.01736376 0.02378322
-3.14740398 -10.41905094 3.01609980
-0.00003540 -0.00027396 -0.00003092
-0.02448107 0.02257645 0.01553886
1.20669643 -3.78899286 3.34098780
-0.00011760 0.00106374 0.00046557
0.03133183 -0.01814468 -0.03228485
3.34183735 -4.39984375 1.00578200
-0.00016839 0.00022917 0.00060047
-0.03909782 -0.01335794 0.04099353
8.20745907 7.68470530 3.58843710
0.00019006 -0.00070424 -0.00017620
-0.04214592 0.01294074 -0.03323212
11.18148215 7.86174330 3.66762005
-0.00046099 -0.00022895 -0.00018028
0.01227525 0.00837690 -0.00321498
-7.78307312 -11.43513178 -2.25516420
0.00008737 -0.00134112 0.00084389
-0.02920098 0.00769309 -0.00318570
-10.35078463 -9.96830769 -1.18595828
0.00062480 -0.00011735 0.00033414
-0.00036229 0.00333262 0.01293262
5.24361936 -16.07365844 -13.05051641
-0.00006800 -0.00089130 -0.00201484
-0.01188698 -0.00171955 0.00095873
2.60430044 -16.33550145 -11.76774433
-0.00139036 0.00050539 0.00057021
-0.02336848 -0.02836430 0.04313247
4.58369738 -4.71954481 -4.53169150
-0.00096225 0.00068054 -0.00034047
0.00168284 -0.01314004 0.01075738
5.19276281 -6.65866691 -2.35527902
-0.00066352 0.00045705 0.00027269
0.00283577 0.00379170 -0.00405410
16.70364804 2.63246372 24.48673749
-0.00014110 -0.00016868 0.00078420
-0.00249420 -0.00967510 -0.00728266
19.33616506 3.15438945 25.40846919
-0.00043236 0.00016420 -0.00093648
0.00915981 0.00175146 -0.00139932
-9.59451660 0.78182251 1.40509787
0.00032513 -0.00054875 -0.00052073
-0.00386855 0.00016317 0.00128464
-9.99287123 3.36956031 2.75614309
0.00018546 0.00027241 0.00003425
0.00387124 -0.00223391 -0.00841446
-5.02231503 13.64849750 -8.56576389
-0.00001673 0.00047788 -0.00007015
-0.00306342 -0.00040748 -0.00522577
-7.60918015 12.24449085 -9.01358950
-0.00015668 -0.00046235 -0.00066014
0.01824233 0.00320499 -0.01092930
1.42915197 11.70351376 -6.64372723
0.00004784 -0.00054263 -0.00090265
-0.00643442 0.01703118 -0.00479200
2.08654159 14.55355346 -6.21886847
0.00092845 0.00064466 -0.00025770
-0.00345661 -0.02390712 -0.01751652
-10.75438195 8.32844600 -13.08219676
-0.00053352 0.00086687 0.00064514
-0.00498644 0.01057097 0.01670052
-11.74944777 10.04812275 -10.75403041
0.00027981 -0.00015447 0.00056958
0.00145078 -0.00885231 -0.01341512
7.44766393 5.29258099 13.51963854
-0.00157102 0.00039192 0.00047562
-0.00226263 0.00222878 -0.00149477
9.64603609 3.77038024 14.52565012
-0.00026754 -0.00076420 0.00037642
0.00381195 0.00231693 -0.00433826
-14.19688918 11.30739378 -7.26307865
0.00000912 0.00129600 -0.00087345
-0.00636819 -0.01936409 -0.00998394
-16.94982820 10.75778623 -7.96015059
-0.00031037 -0.00017627 -0.00020729
-0.00317224 -0.00110199 -0.00232325
9.26941397 9.35105860 -2.46347237
-0.00023737 -0.00026180 -0.00135551
-0.01026305 -0.02779747 -0.01090622
7.70697294 8.10715160 -4.55992782
-0.00053612 0.00095443 -0.00053979
-0.01723778 0.00898204 -0.03208523
14.47142498 -19.10661011 -27.42756523
0.00000312 0.00004659 -0.00033779
0.00234732 0.02791527 -0.01452698
13.47693162 -20.26391703 -24.99860871
0.00065160 -0.00004910 0.00003472
0.01107986 -0.00340814 -0.01496572
4.96764494 5.06378651 2.00495048
0.00043682 -0.00019401 -0.00066137
0.00248768 -0.03507576 0.01370810
5.43348485 6.94838204 0.04840720
-0.00037347 -0.00039614 0.00016840
0.01369492 0.00988920 -0.04340469
20.03127967 -5.68183091 -6.93187372
0.00001092 0.00167967 -0.00005741
-0.03558471 -0.00578051 -0.00188329
17.05596342 -4.98128623 -6.27498697
-0.00013745 -0.00001563 -0.00064590
0.01463652 -0.00480890 -0.00394019
-2.60353259 -0.70944641 -1.01263914
0.00019719 -0.00003318 -0.00069702
0.00846392 -0.01889001 -0.01800487
-2.23134351 -1.68133897 -3.89300541
-0.00078332 -0.00026454 0.00044274
-0.00472176 -0.00211866 0.03726049
3.95537580 -3.55909210 -12.47483044
0.00013447 -0.00066182 -0.00054573
-0.01628561 0.02371010 0.00973633
1.12254164 -2.89104736 -11.81262551
0.00023626 -0.00023808 -0.00004674
0.00018018 0.00432958 -0.00029081
19.86016714 8.63589682 -7.83987043
0.00023175 0.00055543 0.00067100
-0.00297310 -0.00099295 0.00417956
20.99292884 8.08109910 -5.23345619
-0.00038900 -0.00004798 -0.00067447
-0.00641781 0.00476603 -0.00113433
-7.17181214 4.03018863 8.81374514
-0.00058954 0.00035659 -0.00043458
0.01408477 -0.06222918 -0.00199852
-6.91349241 6.39888783 10.23387281
0.00068344 -0.00074774 -0.00084434
-0.00999164 0.00195502 -0.00638954
-1.95991373 -17.90044799 11.57349236
0.00074336 -0.00041968 -0.00003791
0.00372710 -0.00403976 0.00311573
-2.81703180 -15.71253057 9.92763675
0.00009626 -0.00053012 -0.00009523
0.01039113 0.00235645 0.00957375
8.52135010 -0.38788958 -3.05916964
0.00087912 0.00053203 0.00074456
-0.01153801 -0.00704137 -0.02298496
7.64386028 1.38141210 -5.25956010
0.00042773 -0.00007524 -0.00019340
-0.00126164 -0.00214605 -0.00931976
0.32621107 -11.92573377 1.93075748
-0.00032497 -0.00036149 0.00009771
-0.00640581 0.00028823 -0.00725212
-1.14722305 -10.56655677 -0.24307962
-0.00094877 -0.00008290 0.00022904
-0.00052211 -0.01188821 0.00490586
-19.31578027 -1.22778604 6.91373548
0.00094153 0.00075674 0.00061754
-0.00982812 0.00764120 -0.00480038
-21.38072080 0.54079557 5.94469913
0.00025760 -0.00003715 -0.00040990
0.00800508 -0.00344624 -0.00626584
-5.13941954 8.18447404 -26.67791268
-0.00078390 0.00039768 -0.00151901
-0.02399437 -0.00006439 0.03923254
-5.28796774 7.66972722 -23.78650198
-0.00091434 0.00058815 -0.00032495
-0.00196242 -0.00138901 0.00330577
4.14051492 1.80391908 -2.34074799
-0.00064976 0.00075286 0.00058515
0.00040180 0.00255969 -0.00000751
2.03367561 0.15939243 -1.42675887
-0.00098919 0.00004247 -0.00003664
-0.00822166 0.02977349 -0.00694851
14.95990428 7.67284709 5.90334435
-0.00006505 0.00026083 0.00043733
-0.00958483 -0.00698605 -0.01248386
15.44488895 9.88406868 4.12422985
-0.00025263 0.00126050 -0.00025413
-0.01088126 -0.01278242 -0.00756699
1.58190110 -11.74677067 -13.93568810
0.00020051 0.00009390 -0.00012771
0.00901665 0.00675982 0.00381710
-13.57267684 14.67052754 22.79517770
-0.00003681 0.00013197 0.00014075
-0.00525155 0.00016665 -0.00170099
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02463217
0.34989053
466.21158441
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1326771228
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3305241113 (a.u.)
total exchange computation time: 2.6542611122 s
-154.0193045176
-931.37233390
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1326771228
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3304633082 (a.u.)
total exchange computation time: 2.6578409672 s
-154.0204402085
Anderson extrapolation: theta=1.3878983911 (1.3878983911)
-931.37256987
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1326771228
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3302854154 (a.u.)
total exchange computation time: 2.6535129547 s
-154.0226809721
Anderson extrapolation: theta=0.0701946223 (0.0701946223)
-931.37272108
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1326771228
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3301951773 (a.u.)
total exchange computation time: 2.6548519135 s
-154.0234404253
Anderson extrapolation: theta=2.3478242654 (2.0000000000)
-931.37273054
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1326771228
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3299867143 (a.u.)
total exchange computation time: 2.6576020718 s
-154.0251124541
Anderson extrapolation: theta=0.4345965821 (0.4345965821)
-931.37274386
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1326771228
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3298957105 (a.u.)
total exchange computation time: 2.6560468674 s
-154.0257671114
Anderson extrapolation: theta=0.9646096044 (0.9646096044)
-931.37274802
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1326771228
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3298289772 (a.u.)
total exchange computation time: 2.6539359093 s
-154.0261660610
Anderson extrapolation: theta=0.5353892909 (0.5353892909)
-931.37275100
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1326771228
ExchangeOperator: bisection time: 1.247 s
total exchange = -52.3298177194 (a.u.)
total exchange computation time: 2.6563739777 s
-154.0261402847
Anderson extrapolation: theta=0.7108554380 (0.7108554380)
-931.37275216
-21.990371 -126.548285 -244.582137
-137.101824 458.203695 -805.709857
-159.092195 331.655410 -1050.291994
1112.842716
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1326771228
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3298292699 (a.u.)
total exchange computation time: 2.6537599564 s
678.25293353
-1082.69998101
89.82435829
-389.73618321
-174.68405104
77.71781392
551.60419304
0.00000000
-931.37275271
-9.17748307 -5.35473956 9.78725095
0.00009121 0.00006318 0.00016652
-0.03368368 0.04705773 -0.01720685
-13.77504466 5.02175171 8.92459849
0.00009265 0.00001464 -0.00010499
-0.00648520 0.01869266 0.00164087
-15.85681414 1.53609201 2.97512719
-0.00004672 -0.00005129 -0.00000376
0.00856218 0.01083895 -0.03440804
2.36503091 -19.66330791 13.37796324
-0.00014359 -0.00016408 0.00031792
-0.00085957 -0.04138380 0.00119861
9.88335746 20.80686040 0.39577615
0.00045672 -0.00009148 -0.00036464
0.01483684 0.02013399 -0.00887745
-11.22983395 12.79125946 15.21108218
-0.00020992 -0.00004205 -0.00003387
-0.01492032 0.03157893 -0.03643821
-5.97775995 1.07048102 -12.90486801
0.00013659 -0.00021888 0.00016926
-0.01440712 -0.00439044 0.02835756
-8.88990015 6.73602888 -6.83557049
0.00002993 0.00017582 0.00005067
-0.01065358 -0.01065581 -0.01070996
-7.37962995 -3.76653422 18.01901066
0.00034735 -0.00019215 -0.00003719
-0.00421838 0.03416704 0.01842145
-23.48527553 -7.60801501 -23.62164330
-0.00024653 -0.00023789 -0.00038056
-0.00079839 -0.01737492 -0.00299539
8.52941372 13.19870201 6.65027925
0.00031639 0.00051848 0.00002540
-0.00566963 0.00720154 0.01564682
23.07627728 28.78578695 -3.02944615
-0.00029634 -0.00033265 0.00037964
-0.01033026 0.03571298 0.00462229
9.45129272 0.06970563 -14.65902729
0.00017503 0.00027706 -0.00021455
0.02042879 -0.00401444 -0.00824273
-9.12516808 -1.10332494 12.47531886
-0.00024987 -0.00010958 -0.00024250
-0.01702272 -0.03705535 0.01362643
-2.15029317 -25.91834884 10.53557607
-0.00009290 0.00000227 0.00000896
-0.01028289 -0.01214813 0.01403722
-15.27785655 -4.11127707 -7.29610751
-0.00013965 -0.00005847 -0.00020435
0.00140923 -0.01827036 -0.00479864
-19.42835621 -11.03508289 -18.23370128
0.00007612 0.00004236 -0.00013459
0.02029439 -0.01329104 -0.02061397
21.07612303 5.41227939 4.68780893
-0.00045602 0.00015211 0.00013626
0.01411131 -0.00604627 -0.00293592
19.51728236 -11.53405417 -13.27748659
0.00051150 0.00027738 0.00029291
0.01792004 -0.01997349 -0.01484299
-3.23330690 -0.35881117 -6.54772245
-0.00032194 -0.00027658 0.00009533
0.01420992 0.00171006 -0.00625307
-3.70621037 -3.15058446 -17.59705109
0.00033113 0.00002386 -0.00011093
0.00247059 -0.02630861 0.00602207
14.26889279 16.40628337 -21.32146838
0.00012566 -0.00002306 -0.00018985
0.00390859 0.01800365 0.00431742
-14.57145469 17.69923909 -13.36401111
0.00006440 0.00037436 -0.00030571
-0.00113729 -0.04287017 0.00559058
1.39364512 15.06490597 7.85802503
-0.00007635 -0.00029571 -0.00038666
0.01650040 -0.01341057 -0.00408658
-4.36469035 -9.19555893 3.90552596
0.00031606 0.00004630 -0.00018414
0.02833115 -0.01381643 -0.03971528
2.10487322 -5.15582361 2.30755685
0.00006104 -0.00006468 -0.00010352
0.00741007 0.03557715 0.00116866
9.66300053 7.20026611 4.39156179
0.00001772 0.00017589 -0.00019667
0.03362869 -0.02830105 0.04104631
-9.29985192 -10.31180732 -2.60454100
-0.00026162 -0.00013765 0.00027657
0.02934285 -0.01417113 -0.00957001
3.41742632 -15.62272221 -13.12164565
-0.00004039 -0.00001234 -0.00006924
0.03142602 0.02491726 -0.03850821
3.82725382 -5.71059376 -3.13074464
0.00028615 -0.00009542 0.00049028
-0.00662819 0.01236087 -0.01253774
18.39420327 1.89364934 24.46132167
-0.00001341 -0.00015831 -0.00014415
-0.01035055 -0.00441327 0.00228408
-8.94177770 2.48039642 1.53353953
-0.00032671 -0.00037146 0.00006785
-0.00081729 0.00545399 0.00409261
-5.91433546 12.52856782 -9.77503536
0.00040646 -0.00044744 0.00015013
-0.02326646 -0.00453553 0.01188065
1.61145542 13.30538125 -7.56031233
0.00001752 0.00009377 0.00028256
0.01218002 0.00702047 0.02361369
-11.17878527 10.03922058 -12.50801906
-0.00037247 -0.00015036 -0.00007446
0.00434201 0.00494416 0.00431995
7.84108789 3.90172643 14.63463880
0.00007165 -0.00034660 0.00010306
-0.00260441 -0.00106109 0.00319024
-15.35506588 9.89127222 -7.76100294
0.00036547 0.00043324 0.00064811
0.00713064 0.02161630 0.00896854
8.56377822 7.69925790 -3.06303221
-0.00031404 -0.00028113 0.00016978
0.02057233 0.01673915 0.03417444
14.16277387 -20.69781856 -26.68269676
-0.00009366 0.00007930 0.00025611
-0.01408520 -0.01284187 0.02764631
5.12144790 6.81260411 1.77649542
0.00009523 -0.00023603 0.00038375
-0.01139034 0.02962631 0.02607422
18.23179097 -5.85496283 -7.49073408
-0.00019924 0.00005763 0.00027144
0.02275995 0.01141532 0.01500973
-1.95808946 -2.16265803 -2.02953976
-0.00007234 -0.00019383 0.00018751
-0.00552865 0.02074103 -0.00796851
2.79488430 -2.11086126 -12.02744598
0.00003082 -0.00007359 0.00003284
0.02207926 -0.03101629 -0.00612793
19.73145695 9.16706841 -6.07908885
0.00030995 -0.00044746 0.00020760
0.00342642 -0.00935559 -0.00144046
-7.67213481 5.70294881 8.70263812
-0.00016581 -0.00010037 -0.00036301
-0.00612498 0.07124015 0.00911709
-1.73230529 -16.10913068 11.37147361
0.00013847 -0.00004411 -0.00008847
-0.01342898 0.00059672 -0.00997296
7.60627293 -0.38109081 -4.73562211
0.00002151 0.00043483 -0.00025149
0.02020553 0.02571317 0.05518987
-1.04247863 -12.22714436 0.69062034
-0.00006688 -0.00017667 0.00011533
0.00266466 0.01456718 0.00077014
-20.00116664 -0.49880152 5.32041788
-0.00020960 0.00051125 0.00007391
0.00339356 -0.00598396 0.01088243
-6.44220881 7.98227443 -25.16636755
0.00023007 0.00020129 -0.00002120
0.04354364 0.00450063 -0.03020931
2.37655327 1.96675853 -1.87386063
-0.00019402 -0.00007873 -0.00014753
0.00793620 -0.04031212 0.00808735
14.62913695 8.19778047 4.13703966
-0.00031132 -0.00019869 0.00002112
0.02353934 0.02860035 0.01640193
-8.21003430 -6.73832064 10.22398426
0.00042132 -0.00029095 -0.00022958
0.02441799 -0.04646319 0.00512359
-10.33783796 -5.68048785 8.38636844
-0.00029130 0.00072107 0.00064367
0.01233523 -0.00867133 0.01285125
-13.14099864 5.84128546 7.38511126
-0.00034949 -0.00110236 -0.00070115
-0.00246739 -0.00561412 0.00159074
-13.64098907 3.23491969 8.66268390
0.00099224 -0.00039595 0.00106317
0.00524960 -0.01151850 -0.00191378
-14.62970942 1.53442135 4.26608203
0.00068957 -0.00013389 -0.00043036
0.01336813 0.00381179 0.02542959
-17.35523711 0.82272117 3.67292155
-0.00075771 -0.00030726 0.00095102
-0.02207962 -0.01131598 0.01336205
2.52570514 -21.48277297 12.85030576
-0.00071407 0.00111767 0.00055484
-0.00178355 0.03061076 -0.00423704
3.30410839 -19.72904764 14.94049225
-0.00020144 -0.00055789 -0.00153692
-0.00036362 0.00899815 -0.00067179
9.20843783 19.16145990 0.05453415
0.00009143 0.00098113 -0.00047885
-0.00791491 -0.01437349 0.00885385
8.77302758 21.81110005 1.47740593
-0.00014104 -0.00023228 0.00019898
-0.01213891 -0.01120848 -0.00618936
-10.53577477 12.11598229 16.71164974
0.00024464 -0.00012422 -0.00020381
0.01631202 -0.01034122 0.03793788
-11.32409694 14.60753182 15.58109592
0.00060717 0.00089756 0.00093200
-0.00080518 -0.01522946 -0.00479281
-5.99567332 0.09896598 -14.44586517
-0.00007276 0.00032233 -0.00045448
-0.00364751 -0.00579903 0.00827478
-7.06492321 0.28844715 -11.44413927
-0.00135586 0.00053333 -0.00003461
0.02148131 0.00631079 -0.03849299
-7.95313829 8.27942574 -6.72530022
0.00075751 -0.00009647 -0.00087924
0.00095040 0.00109554 -0.00239653
-9.81260399 6.71964719 -5.25591960
0.00049692 0.00135036 -0.00052466
-0.00147764 0.00384283 -0.00006605
-7.65830422 -1.84206887 17.95830057
-0.00002469 0.00012204 -0.00025027
0.01059810 -0.04689122 0.00430141
-7.13445665 -4.23645462 19.85317239
0.00017702 -0.00004468 -0.00031703
-0.00866866 0.00562047 -0.02744980
-24.69117588 -6.25886924 -23.50910499
0.00081654 0.00114777 -0.00074870
0.00448711 0.01022776 -0.00306040
-21.81609065 -6.87896085 -23.76695154
-0.00080657 -0.00040805 -0.00069612
-0.00339018 0.00874732 0.00069703
8.66164436 13.08878483 4.88286212
0.00006738 0.00003830 0.00118182
-0.00065735 0.00575099 -0.03361031
9.57751451 11.83010311 7.27899546
0.00130259 -0.00018475 -0.00018408
0.00139786 -0.00408358 0.01765889
24.13943093 27.41817114 -2.57386354
0.00001799 0.00031823 -0.00028854
-0.00019013 -0.01726609 0.00472415
22.78004498 29.81333838 -1.49436987
-0.00092174 -0.00129072 0.00040810
-0.00172182 -0.00819517 -0.01249543
11.08852864 -0.74376204 -14.31298865
0.00127826 0.00046377 0.00076982
-0.01543983 0.01502146 -0.00012318
8.34743930 -1.38358104 -14.66705729
0.00024055 0.00041182 0.00029788
-0.00405251 -0.00754873 0.00746541
-9.71765425 -1.37408866 14.18358139
0.00048454 -0.00053667 -0.00069937
0.00472370 0.02119116 0.00651818
-9.42222147 -2.90630023 11.97264607
0.00007782 -0.00122302 0.00019137
0.01208761 0.01859975 -0.01946076
-3.25782762 -26.49777716 11.97553816
-0.00026581 -0.00035582 0.00042817
0.01870941 0.00445099 -0.00868928
-3.35319600 -25.68505359 9.21138281
0.00019208 0.00048314 -0.00026760
-0.00152124 0.00628750 -0.01476780
-14.86905693 -2.46348048 -6.51844980
-0.00058568 -0.00011757 -0.00101275
0.00122506 -0.00185196 -0.00189239
-16.07368176 -3.77873649 -8.87736271
-0.00009982 -0.00023254 -0.00061740
-0.00729789 0.00435632 -0.00521479
-19.00763952 -9.53559803 -19.16954601
-0.00077624 -0.00073999 0.00071769
-0.00694328 0.02116122 0.00604038
-18.17501528 -12.14160845 -19.06143289
-0.00003327 -0.00045247 0.00002112
-0.01002873 -0.00936752 0.01430542
22.52956785 6.12909183 3.86883719
-0.00033589 0.00132251 0.00081006
0.00668626 -0.00701876 -0.00582572
20.36895713 6.87110612 5.42786656
0.00062138 0.00076735 -0.00052008
-0.01816100 0.01351562 0.01158153
18.51634588 -11.03427613 -11.86435176
0.00113605 -0.00101135 -0.00070793
-0.01889630 0.00976239 0.01414961
18.87481110 -10.68858648 -14.73392042
0.00102646 0.00021942 -0.00019085
-0.00990751 0.01317777 -0.00611218
-1.70344232 0.65472021 -6.76912932
0.00037915 -0.00030492 0.00082547
-0.01758588 0.00340026 -0.00132272
-4.71504645 0.66958290 -6.19748016
0.00054125 0.00106240 -0.00008029
0.01285674 0.00014198 0.00162450
-3.10359431 -4.49601795 -18.71903180
-0.00077908 0.00055465 -0.00039472
-0.00619159 0.01856509 0.01005963
-3.68480864 -1.57746602 -18.48278529
-0.00006236 0.00034934 0.00012128
0.00308344 0.01496848 -0.01411143
13.87707859 17.85383987 -20.28060163
0.00053004 0.00102997 -0.00052570
0.01356621 0.00296445 0.00482206
12.53289936 15.93958699 -21.62334844
-0.00010506 0.00001663 0.00091813
-0.01058015 -0.01810526 -0.00929490
-13.93937270 17.09480186 -11.69221576
0.00002710 -0.00033685 0.00035583
-0.00721621 0.01108507 -0.02525522
-14.56743114 16.04237696 -14.41663130
0.00059201 0.00096029 0.00024969
0.00407222 0.02361396 0.02011703
2.00106144 15.84755816 6.32006481
-0.00033208 0.00074416 -0.00010205
-0.00745865 -0.00022725 0.00292185
0.00093081 15.98572409 8.55595591
-0.00109142 0.00150689 -0.00090345
-0.00966490 0.00934125 0.00106626
-4.62878914 -7.96174882 2.50700701
0.00079347 0.00041141 0.00015401
-0.00775298 -0.01753764 0.02343370
-3.14868523 -10.42246860 3.01611210
-0.00013435 -0.00018209 0.00003147
-0.02395316 0.02239875 0.01500512
1.20589248 -3.77359281 3.34698203
0.00001479 0.00098068 0.00032842
0.03347436 -0.02251200 -0.03485269
3.33811341 -4.39681545 1.01604517
-0.00032361 0.00017589 0.00076299
-0.03688377 -0.01272570 0.03856402
8.20901848 7.67453830 3.58477573
0.00001244 -0.00065006 -0.00031549
-0.04480138 0.01358088 -0.03495179
11.17494352 7.85856570 3.66481735
-0.00040394 -0.00019162 -0.00019707
0.01564919 0.00989930 -0.00500658
-7.78265744 -11.45501282 -2.24260349
-0.00003922 -0.00130326 0.00082667
-0.03276567 0.01083828 -0.00524235
-10.34142372 -9.96996578 -1.18054994
0.00061770 -0.00010181 0.00039245
-0.00311490 0.00427326 0.01561351
5.24223518 -16.08708065 -13.08070965
-0.00011848 -0.00089903 -0.00200664
-0.01282542 -0.00206357 0.00305696
2.58272896 -16.32878978 -11.75786944
-0.00147298 0.00039802 0.00072936
-0.01707449 -0.02419547 0.03477176
4.56931524 -4.70973933 -4.53646894
-0.00095559 0.00062189 -0.00028962
0.00157698 -0.01557093 0.01413652
5.18289692 -6.65169504 -2.35131292
-0.00063857 0.00046504 0.00026159
0.00937623 0.00012082 -0.00137942
16.70145516 2.62963707 24.49827735
-0.00015055 -0.00020961 0.00075338
-0.00213237 -0.01036139 -0.00780707
19.32996034 3.15690619 25.39437910
-0.00039078 0.00017470 -0.00093916
0.01119385 0.00338741 0.00008573
-9.58975818 0.77359623 1.39732632
0.00030754 -0.00054716 -0.00051388
-0.00474002 0.00061429 0.00206874
-9.98997071 3.37357798 2.75639901
0.00020012 0.00026119 -0.00000013
0.00330339 -0.00325630 -0.00841699
-5.02265987 13.65565325 -8.56697631
-0.00003086 0.00047390 -0.00009252
-0.00385468 -0.00154031 -0.00572076
-7.61097130 12.23765374 -9.02382646
-0.00007962 -0.00044812 -0.00070447
0.01947678 0.00376292 -0.01077170
1.42967243 11.69589622 -6.65741385
0.00002223 -0.00047147 -0.00091909
-0.00610083 0.01780099 -0.00325306
2.10036241 14.56249073 -6.22327076
0.00091293 0.00054258 -0.00032877
-0.00414102 -0.02605826 -0.01727279
-10.76253758 8.34177291 -13.07200795
-0.00054997 0.00089332 0.00070684
-0.00306398 0.00237847 0.01350481
-11.74520621 10.04553445 -10.74589778
0.00028703 -0.00018966 0.00050912
0.00208511 -0.00837237 -0.01617850
7.42402936 5.29852803 13.52672707
-0.00157410 0.00039207 0.00047637
0.00075350 -0.00215381 0.00186298
9.64213975 3.75898822 14.53116353
-0.00024767 -0.00075257 0.00035653
0.00591592 0.00337826 -0.00540148
-14.19694748 11.32624045 -7.27648637
-0.00001656 0.00121668 -0.00091262
-0.00620395 -0.01946288 -0.00918792
-16.95458090 10.75510839 -7.96333118
-0.00031745 -0.00018349 -0.00021572
-0.00029671 -0.00243327 -0.00180061
9.26553895 9.34627980 -2.48413914
-0.00027557 -0.00037002 -0.00139448
-0.00843813 -0.02517875 -0.00817322
7.69840292 8.12174322 -4.56900793
-0.00059810 0.00098472 -0.00065551
-0.01310352 0.00584863 -0.02456038
14.47154368 -19.10505587 -27.43307721
0.00001114 0.00015592 -0.00039435
0.00157718 0.02560163 -0.01316157
13.48704514 -20.26475802 -24.99854658
0.00069399 -0.00006065 -0.00002046
0.00966843 -0.00224237 -0.01204444
4.97427346 5.05980152 1.99544995
0.00044636 -0.00034050 -0.00060334
0.00218515 -0.03663181 0.01470009
5.42830244 6.94274297 0.04960319
-0.00031821 -0.00035391 -0.00000549
0.01335706 0.01078320 -0.04171713
20.03035301 -5.65681301 -6.93279252
-0.00013687 0.00165448 -0.00006560
-0.03676018 -0.00655081 -0.00212856
17.05435020 -4.98166804 -6.28479626
-0.00008235 -0.00003170 -0.00065667
0.01233398 -0.00305934 -0.00132978
-2.60031539 -0.71052289 -1.02364616
0.00022954 -0.00010634 -0.00076533
0.00737207 -0.01692288 -0.01543322
-2.24323805 -1.68537194 -3.88522261
-0.00080179 -0.00027394 0.00059215
-0.00431605 -0.00248436 0.03587882
3.95689385 -3.56829282 -12.48271809
0.00006446 -0.00055982 -0.00050420
-0.01798604 0.02621873 0.01059237
1.12609110 -2.89448588 -11.81333555
0.00023526 -0.00022063 -0.00004770
-0.00067022 0.00421287 -0.00017602
19.86355232 8.64419779 -7.82967733
0.00021989 0.00054885 0.00067736
-0.00283529 -0.00222386 -0.00106714
20.98689723 8.08052546 -5.24360799
-0.00040582 -0.00003659 -0.00067146
-0.00181573 0.00080832 0.00260857
-7.18022366 4.03363059 8.80716517
-0.00052995 0.00009355 -0.00044327
0.01508397 -0.06653117 -0.00225573
-6.90354693 6.38773160 10.22101197
0.00064406 -0.00073697 -0.00086651
-0.00928515 0.00331592 -0.00446418
-1.94864911 -17.90686692 11.57301914
0.00075901 -0.00043117 -0.00002582
0.00393563 -0.00158788 0.00280240
-2.81526941 -15.72041021 9.92650173
0.00013816 -0.00052034 -0.00005740
0.01011743 0.00243041 0.00894478
8.53418340 -0.38012497 -3.04870556
0.00082500 0.00050318 0.00063868
-0.01495518 -0.00707788 -0.02884366
7.65023760 1.38021777 -5.26274675
0.00042224 -0.00007703 -0.00023300
-0.00142471 0.00126713 -0.01006191
0.32114028 -11.93114728 1.93200087
-0.00034880 -0.00035888 0.00006922
-0.00526271 0.00099004 -0.00669397
-1.16147062 -10.56816457 -0.23949369
-0.00094924 -0.00013225 0.00024963
0.00029404 -0.01226714 0.00517234
-19.30195856 -1.21620077 6.92285147
0.00089645 0.00079140 0.00059068
-0.01223694 0.00932245 -0.00834690
-21.37661153 0.54013272 5.93835859
0.00028079 -0.00004399 -0.00043062
0.00334628 0.00009910 -0.00387436
-5.15191328 8.19043732 -26.69949557
-0.00088042 0.00039650 -0.00135181
-0.02325297 -0.00051666 0.04261253
-5.30174303 7.67850698 -23.79127497
-0.00091021 0.00057965 -0.00030140
0.00398613 -0.00277429 0.00822427
4.13078089 1.81529037 -2.33197095
-0.00063812 0.00076049 0.00058273
0.00529210 0.00117729 -0.00117851
2.01858576 0.16094188 -1.42752146
-0.00102023 0.00016446 -0.00006575
-0.00696966 0.02993874 -0.00729978
14.95863483 7.67654543 5.90952179
-0.00010473 0.00023347 0.00038258
-0.00983745 -0.00640409 -0.01431985
15.44076608 9.90258444 4.12018601
-0.00030389 0.00119256 -0.00028421
-0.01420969 -0.02047399 -0.00715569
1.58493298 -11.74534409 -13.93759357
0.00020377 0.00009632 -0.00012636
0.00920391 0.00678298 0.00376294
-13.57323815 14.67250739 22.79728596
-0.00003802 0.00013202 0.00014036
-0.00515024 0.00022239 -0.00161510
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02460373
0.34814898
463.89105906
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3341103302 (a.u.)
total exchange computation time: 2.6509661674 s
-154.0367872336
-931.37023279
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3339813809 (a.u.)
total exchange computation time: 2.6497220993 s
-154.0383662494
Anderson extrapolation: theta=1.3678957950 (1.3678957950)
-931.37046184
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3336931561 (a.u.)
total exchange computation time: 2.6517400742 s
-154.0413236014
Anderson extrapolation: theta=0.0619875164 (0.0619875164)
-931.37060413
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3335828528 (a.u.)
total exchange computation time: 2.6507611275 s
-154.0422122194
Anderson extrapolation: theta=2.1945417003 (2.0000000000)
-931.37061158
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3333272808 (a.u.)
total exchange computation time: 2.6491458416 s
-154.0441912244
Anderson extrapolation: theta=0.3558448857 (0.3558448857)
-931.37062147
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3332281010 (a.u.)
total exchange computation time: 2.6505780220 s
-154.0448828452
Anderson extrapolation: theta=1.2925301580 (1.2925301580)
-931.37062428
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3331198817 (a.u.)
total exchange computation time: 2.6527051926 s
-154.0455514349
Anderson extrapolation: theta=0.4471378049 (0.4471378049)
-931.37062698
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3330955676 (a.u.)
total exchange computation time: 2.6481270790 s
-154.0456124448
Anderson extrapolation: theta=0.9124870429 (0.9124870429)
-931.37062796
-22.001933 -126.533499 -244.588265
-137.113011 458.237551 -805.760318
-159.114944 331.704053 -1050.348583
1112.913873
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3330934133 (a.u.)
total exchange computation time: 2.6496160030 s
678.29787230
-1082.80031046
89.82275840
-389.66620567
-174.69164975
77.77625026
551.60419304
0.00000000
-931.37062859
-9.17624491 -5.35361030 9.78968240
0.00007492 0.00008651 0.00015852
-0.02964196 0.04366859 -0.01389044
-13.77367993 5.02204338 8.92303005
0.00008922 0.00002340 -0.00010416
-0.00684697 0.01536733 0.00156022
-15.85748198 1.53536442 2.97493807
-0.00004376 -0.00004665 -0.00002028
0.00295512 0.00723355 -0.02983529
2.36287379 -19.66592873 13.38273669
-0.00014586 -0.00018340 0.00031637
-0.00799190 -0.03376660 -0.00723566
9.89026542 20.80556584 0.39027235
0.00046409 -0.00007912 -0.00036818
0.01386041 0.02795240 -0.00489002
-11.23304034 12.79075052 15.21043352
-0.00021743 -0.00002408 -0.00005190
-0.01428190 0.03830281 -0.03364046
-5.97576673 1.06718091 -12.90221973
0.00012895 -0.00022126 0.00018357
-0.01528132 -0.00486063 0.02727842
-8.88949235 6.73862503 -6.83485174
0.00002535 0.00017059 0.00004394
-0.00712132 -0.00967061 -0.01545543
-7.37443598 -3.76928463 18.01852381
0.00034497 -0.00017407 -0.00002831
-0.00502498 0.03613973 0.01610880
-23.48897655 -7.61165035 -23.62736325
-0.00024837 -0.00024634 -0.00038200
-0.00634961 -0.01548422 -0.00258672
8.53413774 13.20650691 6.65072066
0.00031459 0.00052080 0.00003663
-0.00135121 0.00182736 0.02800047
23.07179236 28.78093497 -3.02373366
-0.00030214 -0.00031400 0.00038123
-0.01222810 0.03679225 0.00155837
9.45399701 0.07384601 -14.66227739
0.00018728 0.00027465 -0.00021838
0.02718435 -0.00534882 -0.00661996
-9.12898174 -1.10511156 12.47173390
-0.00025841 -0.00012967 -0.00023686
-0.01618617 -0.04109266 0.00832952
-2.15172636 -25.91836169 10.53576467
-0.00009852 -0.00000414 0.00001648
-0.01154801 -0.01277071 0.01519067
-15.27994586 -4.11222463 -7.29919123
-0.00013945 -0.00006821 -0.00020777
-0.00062083 -0.01961200 -0.00852305
-19.42713610 -11.03449882 -18.23579960
0.00008601 0.00003307 -0.00014381
0.01814871 -0.02281631 -0.01526741
21.06933721 5.41453766 4.68984145
-0.00044806 0.00014940 0.00013437
0.01682388 -0.00449136 -0.00438276
19.52502400 -11.52997048 -13.27315023
0.00052238 0.00026640 0.00028245
0.02437936 -0.02273473 -0.02580498
-3.23808120 -0.36295321 -6.54631661
-0.00031396 -0.00027497 0.00009207
0.01680836 0.00453905 -0.00643258
-3.70123395 -3.15032802 -17.59869189
0.00033203 0.00001157 -0.00010740
0.00104496 -0.02149017 0.00773409
14.27079274 16.40600691 -21.32429955
0.00012746 -0.00001292 -0.00018699
0.00309830 0.02142235 0.00682500
-14.57049304 17.70468917 -13.36857518
0.00006428 0.00035262 -0.00030116
0.00067469 -0.04167261 0.01208739
1.39256355 15.06041858 7.85220944
-0.00007034 -0.00030051 -0.00038788
0.00686059 -0.00525064 -0.00067332
-4.35984023 -9.19491766 3.90261065
0.00033031 0.00003915 -0.00020409
0.02709591 -0.01398929 -0.03784652
2.10581733 -5.15665664 2.30600855
0.00006363 -0.00004572 -0.00010156
0.00269456 0.03816967 0.00645210
9.66339601 7.20279532 4.38877013
0.00003426 0.00016103 -0.00017504
0.03070062 -0.02949635 0.04305320
-9.30366309 -10.31392669 -2.60042937
-0.00024522 -0.00014588 0.00027138
0.03444772 -0.01785561 -0.01062133
3.41694168 -15.62281123 -13.12283277
-0.00002586 -0.00000062 -0.00008703
0.02507290 0.02065741 -0.03067815
3.83152050 -5.71197735 -3.12343881
0.00028099 -0.00008750 0.00048229
-0.01344915 0.01842309 -0.01853506
18.39396222 1.89125772 24.45916827
-0.00001931 -0.00016081 -0.00014319
-0.01260594 -0.00530905 0.00145349
-8.94668148 2.47484556 1.53457300
-0.00032669 -0.00036853 0.00006975
0.00087967 0.00594439 0.00333068
-5.90832831 12.52183870 -9.77273754
0.00039447 -0.00044963 0.00015631
-0.02335225 -0.00397489 0.01214786
1.61176527 13.30681485 -7.55598281
0.00002383 0.00009767 0.00029410
0.01233917 0.00814221 0.02126895
-11.18435554 10.03698418 -12.50911935
-0.00037088 -0.00014568 -0.00007080
0.00182917 0.01328085 0.00994418
7.84215265 3.89652337 14.63619701
0.00006902 -0.00034623 0.00010405
-0.00765581 0.00249786 0.00067425
-15.34955631 9.89785420 -7.75124666
0.00036827 0.00044454 0.00065245
0.00374196 0.02234157 0.00790851
8.55914699 7.69510553 -3.06035369
-0.00030514 -0.00027246 0.00018455
0.01402185 0.01696033 0.02326748
14.16131465 -20.69667866 -26.67874844
-0.00010026 0.00007320 0.00026894
-0.01157985 -0.01084611 0.02223783
5.12283242 6.80917789 1.78235220
0.00008953 -0.00022095 0.00039610
-0.01075927 0.02903350 0.02196116
18.22889022 -5.85405436 -7.48660461
-0.00018675 0.00006318 0.00027838
0.02579327 0.01017090 0.01200363
-1.95919586 -2.16548545 -2.02675781
-0.00007492 -0.00018377 0.00018316
-0.00451757 0.01836358 -0.00894478
2.79543177 -2.11208473 -12.02697706
0.00004277 -0.00008996 0.00002941
0.02437046 -0.03263411 -0.00719704
19.73611949 9.16032044 -6.07598036
0.00031031 -0.00045078 0.00020716
-0.00203873 -0.00357559 -0.00027332
-7.67464566 5.70171802 8.69722814
-0.00016919 -0.00006377 -0.00035875
-0.00700852 0.07109468 0.00745473
-1.73028011 -16.10979005 11.37010807
0.00013169 -0.00004453 -0.00009328
-0.01290986 -0.00222086 -0.00871606
7.60667352 -0.37446911 -4.73918160
0.00003259 0.00044698 -0.00022174
0.02287176 0.02149765 0.06052487
-1.04347161 -12.22973827 0.69235324
-0.00006603 -0.00016932 0.00011546
0.00067355 0.01403629 -0.00024448
-20.00429753 -0.49115579 5.32156849
-0.00020601 0.00050680 0.00007971
0.01057281 -0.01132567 0.01166974
-6.43858978 7.98531109 -25.16680209
0.00025072 0.00020403 -0.00003860
0.03676257 0.00617419 -0.03745493
2.37367359 1.96542211 -1.87604236
-0.00019146 -0.00009901 -0.00014305
0.00201554 -0.03855165 0.00932926
14.62455802 8.19491043 4.13741976
-0.00029841 -0.00018249 0.00002974
0.02663376 0.03441659 0.01709335
-8.20296626 -6.74410867 10.22069763
0.00051524 -0.00047289 -0.00021177
0.02155742 -0.04259701 0.00359281
-10.34182947 -5.66993745 8.39641721
-0.00024325 0.00068432 0.00069264
0.01118575 -0.00932156 0.01112191
-13.14631665 5.82457808 7.37464282
-0.00035810 -0.00112331 -0.00069594
-0.00174648 -0.00464290 0.00095888
-13.62594467 3.22862741 8.67857287
0.00101285 -0.00043792 0.00105614
0.00484004 -0.00902283 -0.00153012
-14.61895626 1.53252985 4.26040591
0.00074067 -0.00011837 -0.00032947
0.01164597 0.00378549 0.02395513
-17.36727937 0.81776555 3.68759626
-0.00083296 -0.00034626 0.00099920
-0.01475601 -0.00777845 0.01022471
2.51493945 -21.46506993 12.85849848
-0.00072072 0.00122641 0.00053134
-0.00147400 0.02261708 -0.00726556
3.30107560 -19.73714025 14.91741787
-0.00018882 -0.00052019 -0.00151603
0.00654488 0.00945676 0.01089987
9.20956680 19.17573634 0.04762272
0.00005496 0.00090982 -0.00044586
-0.00993968 -0.02053246 0.00729424
8.77054005 21.80727235 1.48020102
-0.00018489 -0.00028126 0.00016860
-0.00932657 -0.01276534 -0.00868232
-10.53160527 12.11380207 16.70975511
0.00031000 -0.00016623 -0.00005076
0.01567944 -0.01022349 0.03698391
-11.31501402 14.62052856 15.59492901
0.00060398 0.00082160 0.00090903
-0.00075939 -0.02195381 -0.00645227
-5.99687651 0.10362324 -14.45242880
-0.00008823 0.00030034 -0.00041715
-0.00392706 -0.00496586 0.00999752
-7.08460282 0.29664052 -11.44583797
-0.00126581 0.00055808 -0.00019307
0.02259603 0.00580493 -0.03907580
-7.94174647 8.27801229 -6.73856222
0.00076020 -0.00009344 -0.00088975
0.00036664 0.00038876 -0.00275071
-9.80519542 6.74002032 -5.26379150
0.00048480 0.00136532 -0.00051473
-0.00445525 0.00348225 0.00492682
-7.65834988 -1.84167524 17.95467837
0.00001909 -0.00007191 -0.00023231
0.01083310 -0.04804834 0.00448721
-7.13206704 -4.23695258 19.84757571
0.00014196 -0.00002300 -0.00042495
-0.00849209 0.00499380 -0.02537569
-24.67879022 -6.24133928 -23.52042928
0.00083606 0.00118454 -0.00076108
0.00506377 0.00777338 -0.00299794
-21.82829310 -6.88481351 -23.77737194
-0.00081006 -0.00037096 -0.00069394
0.00168191 0.00940810 0.00036835
8.66263488 13.08953557 4.89955954
0.00006521 0.00006119 0.00102358
-0.00040375 0.00545332 -0.04385018
9.59709625 11.82720681 7.27677532
0.00129910 -0.00019015 -0.00011568
-0.00310760 0.00143616 0.01582424
24.13969494 27.42241553 -2.57804686
0.00002180 0.00024206 -0.00026742
0.00205492 -0.02002261 0.00561188
22.76616609 29.79372646 -1.48863126
-0.00092914 -0.00132063 0.00036120
-0.00190085 -0.00644610 -0.01046332
11.10722948 -0.73634511 -14.30144520
0.00120175 0.00052995 0.00076617
-0.02201348 0.01737389 -0.00166172
8.35092335 -1.37763513 -14.66236035
0.00022397 0.00037891 0.00032835
-0.00406179 -0.00855943 0.00745009
-9.71024135 -1.38148928 14.17329063
0.00050053 -0.00045011 -0.00066296
0.00310308 0.02117816 0.01130133
-9.42068381 -2.92407560 11.97492035
0.00012873 -0.00113817 0.00011247
0.01283494 0.02293531 -0.01916311
-3.26124153 -26.50297811 11.98169441
-0.00018746 -0.00033601 0.00038759
0.01964538 0.00524821 -0.01117407
-3.35036144 -25.67761381 9.20691623
0.00018619 0.00050854 -0.00032556
-0.00136227 0.00614637 -0.01360082
-14.87780454 -2.46530080 -6.53369906
-0.00057874 -0.00011999 -0.00101686
0.00217236 0.00066861 -0.00011953
-16.07540265 -3.78209114 -8.88678344
-0.00012739 -0.00021614 -0.00063401
-0.00620005 0.00367144 -0.00291853
-19.01949582 -9.54604947 -19.15859561
-0.00079913 -0.00063704 0.00073135
-0.00426340 0.02923359 0.00064728
-18.17582168 -12.14868254 -19.06067771
-0.00007525 -0.00048806 0.00007973
-0.01052153 -0.00805476 0.01438283
22.52473443 6.14871436 3.88080950
-0.00030964 0.00128896 0.00078618
0.00616089 -0.00940271 -0.00586015
20.37772137 6.88303047 5.42042032
0.00054269 0.00082401 -0.00046985
-0.02035793 0.01422364 0.01300490
18.53280766 -11.04914730 -11.87453711
0.00104527 -0.00096432 -0.00063204
-0.02554408 0.01326287 0.02299711
18.88990438 -10.68489136 -14.73697043
0.00098656 0.00027186 -0.00021191
-0.00962358 0.01249143 -0.00419631
-1.69829393 0.65025065 -6.75678779
0.00030299 -0.00029535 0.00082039
-0.01969756 0.00128414 -0.00116495
-4.70653372 0.68552325 -6.19863480
0.00059276 0.00106148 -0.00007344
0.01235729 -0.00059329 0.00173006
-3.11547024 -4.48712925 -18.72464435
-0.00080112 0.00062401 -0.00035895
-0.00459745 0.01538567 0.00744845
-3.68564950 -1.57176724 -18.48139846
-0.00004990 0.00040749 0.00006538
0.00301605 0.01349805 -0.01325349
13.88544486 17.86938019 -20.28833932
0.00058675 0.00103483 -0.00051123
0.01419484 -0.00058353 0.00225999
12.53099923 15.93928171 -21.60986136
-0.00014815 -0.00005709 0.00088051
-0.01051122 -0.01798563 -0.00911693
-13.93918731 17.09008883 -11.68765220
-0.00000536 -0.00028770 0.00024510
-0.00867296 0.01297412 -0.02894830
-14.55842614 16.05750484 -14.41226944
0.00060754 0.00105054 0.00032626
0.00352996 0.02056458 0.01736293
1.99585166 15.85871360 6.31862361
-0.00036089 0.00074083 -0.00008999
-0.00664569 -0.00140501 0.00298198
-0.01573670 16.00861364 8.54243685
-0.00111298 0.00153096 -0.00090558
-0.00088884 0.00244184 -0.00210994
-4.61712473 -7.95611504 2.51003518
0.00076164 0.00034048 0.00024801
-0.00782813 -0.01718374 0.02258432
-3.15143448 -10.42451353 3.01704400
-0.00023025 -0.00009220 0.00009108
-0.02299187 0.02160092 0.01417470
1.20714004 -3.75957243 3.35084027
0.00015450 0.00088142 0.00018229
0.03491548 -0.02607635 -0.03667744
3.33212902 -4.39456707 1.02867177
-0.00046802 0.00012612 0.00091379
-0.03380787 -0.01163807 0.03525189
8.20783219 7.66520361 3.57897230
-0.00017117 -0.00059496 -0.00045913
-0.04507454 0.01339033 -0.03536148
11.16936397 7.85599479 3.66170782
-0.00033397 -0.00014845 -0.00022080
0.01860175 0.01123156 -0.00660518
-7.78424984 -11.47422962 -2.23036406
-0.00017871 -0.00125352 0.00080140
-0.03551392 0.01350917 -0.00712689
-10.33225370 -9.97136199 -1.17418471
0.00060003 -0.00008261 0.00046077
-0.00553168 0.00512309 0.01782742
5.24006497 -16.10062932 -13.11071554
-0.00017233 -0.00090814 -0.00198992
-0.01353292 -0.00239730 0.00512488
2.56011106 -16.32356095 -11.74586352
-0.00152823 0.00030860 0.00085182
-0.00997015 -0.01957423 0.02517298
4.55502974 -4.70088814 -4.54038001
-0.00094899 0.00055389 -0.00022574
0.00165272 -0.01771406 0.01713093
5.17360567 -6.64471577 -2.34743135
-0.00058668 0.00045774 0.00026177
0.01602685 -0.00369115 0.00146741
16.69913159 2.62617542 24.50933875
-0.00015859 -0.00025320 0.00072048
-0.00180253 -0.01097814 -0.00829791
19.32444165 3.15963054 25.38029427
-0.00034129 0.00019168 -0.00093609
0.01303318 0.00492374 0.00141737
-9.58529026 0.76540760 1.38968157
0.00028646 -0.00054362 -0.00050387
-0.00558300 0.00112091 0.00282932
-9.98686774 3.37739609 2.75613909
0.00021215 0.00024614 -0.00003416
0.00258582 -0.00411280 -0.00823760
-5.02324095 13.66271460 -8.56853934
-0.00004808 0.00046539 -0.00011678
-0.00457366 -0.00262762 -0.00615587
-7.61156878 12.23104724 -9.03472357
0.00000125 -0.00043188 -0.00074764
0.02010936 0.00418766 -0.01036094
1.42981900 11.68936964 -6.67129983
-0.00000211 -0.00039804 -0.00092895
-0.00581635 0.01814586 -0.00157640
2.11392945 14.56983100 -6.22873164
0.00089497 0.00043293 -0.00039781
-0.00464907 -0.02761838 -0.01651979
-10.77088099 8.35524560 -13.06099149
-0.00055810 0.00088476 0.00075489
-0.00091913 -0.00656811 0.01001657
-11.74083687 10.04243304 -10.73875667
0.00029646 -0.00022272 0.00043833
0.00252907 -0.00780996 -0.01847602
7.40044097 5.30434308 13.53392976
-0.00156477 0.00037452 0.00049047
0.00381272 -0.00643696 0.00503792
9.63860599 3.74780324 14.53634590
-0.00021949 -0.00073665 0.00033240
0.00787945 0.00441287 -0.00640831
-14.19738600 11.34389432 -7.29045719
-0.00004109 0.00113763 -0.00094833
-0.00580489 -0.01923503 -0.00829173
-16.95935179 10.75228143 -7.96662211
-0.00031278 -0.00019605 -0.00022192
0.00258615 -0.00371471 -0.00123545
9.26114679 9.33995789 -2.50530683
-0.00030568 -0.00046601 -0.00142189
-0.00630070 -0.02180688 -0.00524495
7.68902982 8.13669327 -4.57959325
-0.00064271 0.00100169 -0.00073950
-0.00873224 0.00245839 -0.01655132
14.47175904 -19.10193260 -27.43939582
0.00001559 0.00025382 -0.00044430
0.00060494 0.02232259 -0.01128677
13.49775121 -20.26573643 -24.99922260
0.00073021 -0.00006714 -0.00006260
0.00806481 -0.00093791 -0.00858085
4.98103589 5.05357150 1.98685032
0.00045509 -0.00049016 -0.00054190
0.00208643 -0.03662793 0.01537368
5.42393864 6.93776475 0.04824249
-0.00026493 -0.00030853 -0.00016879
0.01272355 0.01143117 -0.03821809
20.02717346 -5.63219657 -6.93384176
-0.00028770 0.00162627 -0.00007432
-0.03707008 -0.00725616 -0.00213928
17.05349289 -4.98223734 -6.29468704
-0.00003714 -0.00004038 -0.00065653
0.00979481 -0.00118750 0.00139590
-2.59664640 -0.71263652 -1.03559903
0.00025695 -0.00017029 -0.00082226
0.00604511 -0.01438208 -0.01243266
-2.25539711 -1.68955716 -3.87524093
-0.00081868 -0.00028465 0.00073447
-0.00395150 -0.00276032 0.03378899
3.95730961 -3.57588668 -12.48995658
-0.00001144 -0.00044899 -0.00045959
-0.01916785 0.02803247 0.01124807
1.12959948 -2.89766621 -11.81405637
0.00023057 -0.00020378 -0.00004813
-0.00162800 0.00403534 -0.00003439
19.86676373 8.65236246 -7.81954963
0.00020863 0.00053731 0.00066200
-0.00267330 -0.00342562 -0.00645218
20.98075433 8.08000135 -5.25359991
-0.00040317 -0.00004202 -0.00065283
0.00311284 -0.00346416 0.00650902
-7.18771074 4.03299511 8.80044695
-0.00046797 -0.00018108 -0.00045319
0.01525860 -0.06789923 -0.00259961
-6.89417051 6.37677859 10.20787755
0.00060797 -0.00072060 -0.00088035
-0.00838466 0.00470007 -0.00231158
-1.93714329 -17.91338316 11.57271768
0.00077543 -0.00043254 -0.00001505
0.00410178 0.00092053 0.00247140
-2.81288696 -15.72814090 9.92591490
0.00017842 -0.00051012 -0.00002280
0.00958761 0.00257313 0.00799049
8.54610015 -0.37279414 -3.04000919
0.00075812 0.00047430 0.00051110
-0.01778532 -0.00706186 -0.03360929
7.65652761 1.37910111 -5.26655005
0.00041620 -0.00006490 -0.00027555
-0.00153442 0.00467218 -0.01076513
0.31574696 -11.93650013 1.93283400
-0.00036763 -0.00035336 0.00004335
-0.00395142 0.00171096 -0.00596911
-1.17570018 -10.57052418 -0.23559076
-0.00094639 -0.00018273 0.00027104
0.00109877 -0.01244535 0.00530829
-19.28888680 -1.20404417 6.93145592
0.00084191 0.00083235 0.00055025
-0.01445932 0.01072335 -0.01144698
-21.37229718 0.53947595 5.93178060
0.00028429 -0.00003585 -0.00044139
-0.00162942 0.00388656 -0.00139801
-5.16583211 8.19636893 -26.71846689
-0.00097313 0.00039353 -0.00117191
-0.02212884 -0.00093367 0.04544738
-5.31527404 7.68711670 -23.79554392
-0.00088178 0.00056550 -0.00025742
0.00993139 -0.00414976 0.01330148
4.12137120 1.82673382 -2.32326614
-0.00060650 0.00076250 0.00057565
0.01018648 -0.00019374 -0.00228543
2.00306876 0.16432615 -1.42873142
-0.00104633 0.00028556 -0.00009591
-0.00580913 0.02934202 -0.00746280
14.95676249 7.67985128 5.91482162
-0.00014526 0.00020841 0.00032114
-0.01000216 -0.00586581 -0.01575311
15.43577236 9.91984542 4.11570363
-0.00036664 0.00109767 -0.00031252
-0.01650925 -0.02597613 -0.00670150
1.58801428 -11.74388109 -13.93947884
0.00020710 0.00009875 -0.00012502
0.00939436 0.00679129 0.00370690
-13.57381740 14.67448801 22.79938860
-0.00003920 0.00013208 0.00014000
-0.00498805 0.00030645 -0.00152296
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02524664
0.34538195
460.20413901
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1331963223
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3371825416 (a.u.)
total exchange computation time: 2.6667308807 s
-154.0585794149
-931.36642383
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1331963223
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3370887928 (a.u.)
total exchange computation time: 2.6635458469 s
-154.0601704845
Anderson extrapolation: theta=1.3847073051 (1.3847073051)
-931.36665897
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1331963223
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3369051733 (a.u.)
total exchange computation time: 2.6646878719 s
-154.0629052244
Anderson extrapolation: theta=0.0671192937 (0.0671192937)
-931.36680836
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1331963223
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3368504033 (a.u.)
total exchange computation time: 2.6661808491 s
-154.0635590915
Anderson extrapolation: theta=2.2459282958 (2.0000000000)
-931.36681690
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1331963223
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3367351612 (a.u.)
total exchange computation time: 2.6619219780 s
-154.0649153488
Anderson extrapolation: theta=0.3701905062 (0.3701905062)
-931.36682830
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1331963223
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3367042828 (a.u.)
total exchange computation time: 2.6624650955 s
-154.0652919127
Anderson extrapolation: theta=1.1274831319 (1.1274831319)
-931.36683140
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1331963223
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3366949729 (a.u.)
total exchange computation time: 2.6663060188 s
-154.0654586841
Anderson extrapolation: theta=0.4677192212 (0.4677192212)
-931.36683386
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1331963223
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3367148971 (a.u.)
total exchange computation time: 2.6656389236 s
-154.0652958991
Anderson extrapolation: theta=0.8350804137 (0.8350804137)
-931.36683464
-22.022641 -126.526770 -244.592970
-137.126813 458.269158 -805.812189
-159.149455 331.742388 -1050.405159
1112.983629
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1331963223
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3367481811 (a.u.)
total exchange computation time: 2.5828969479 s
678.35937786
-1082.93074062
89.81924147
-389.57598209
-174.70198340
77.84944550
551.60419304
0.00000000
-931.36683496
-9.17523544 -5.35214416 9.79200670
0.00006110 0.00010769 0.00015243
-0.02410335 0.03869582 -0.00980543
-13.77236803 5.02245361 8.92147364
0.00008563 0.00003032 -0.00010337
-0.00711774 0.01156166 0.00152692
-15.85812702 1.53469265 2.97451879
-0.00004353 -0.00004385 -0.00003424
-0.00203610 0.00362193 -0.02446784
2.36065501 -19.66881004 13.38745433
-0.00015193 -0.00019846 0.00031049
-0.01561354 -0.02476351 -0.01563711
9.89728030 20.80448692 0.38473082
0.00047095 -0.00006295 -0.00036973
0.01279399 0.03489655 -0.00113642
-11.23635691 12.79053708 15.20952533
-0.00022441 -0.00000307 -0.00006817
-0.01285781 0.04340790 -0.02965327
-5.97389141 1.06384330 -12.89936101
0.00012095 -0.00022382 0.00019720
-0.01584098 -0.00510659 0.02572153
-8.88913950 6.74114657 -6.83425222
0.00002261 0.00016587 0.00003480
-0.00357015 -0.00866995 -0.02008750
-7.36928078 -3.77175624 18.01816122
0.00034220 -0.00015518 -0.00002077
-0.00574317 0.03728880 0.01322853
-23.49272655 -7.61540515 -23.63310317
-0.00025306 -0.00025372 -0.00038322
-0.01190446 -0.01324184 -0.00216810
8.53885133 13.21432592 6.65137808
0.00031498 0.00052044 0.00005383
0.00286325 -0.00322334 0.03890013
23.06721312 28.77636684 -3.01800915
-0.00030880 -0.00029502 0.00038122
-0.01365789 0.03702442 -0.00159982
9.45691102 0.07794513 -14.66557856
0.00020270 0.00027161 -0.00022140
0.03278091 -0.00645537 -0.00513312
-9.13292026 -1.10721519 12.46821320
-0.00026647 -0.00015164 -0.00023389
-0.01517770 -0.04432771 0.00318542
-2.15324864 -25.91847306 10.53607046
-0.00010474 -0.00001082 0.00002438
-0.01267299 -0.01320278 0.01554400
-15.28203995 -4.11332348 -7.30234070
-0.00014029 -0.00007867 -0.00021314
-0.00267177 -0.02103918 -0.01233376
-19.42577598 -11.03409078 -18.23801571
0.00009474 0.00001896 -0.00015026
0.01580482 -0.03203695 -0.00981606
21.06268118 5.41676128 4.69184015
-0.00043881 0.00014769 0.00013186
0.01914078 -0.00212823 -0.00539188
19.53295372 -11.52606219 -13.26901295
0.00053646 0.00025414 0.00026640
0.03037048 -0.02494927 -0.03662373
-3.24272583 -0.36706022 -6.54496039
-0.00030474 -0.00027197 0.00008874
0.01905328 0.00711013 -0.00651815
-3.69624948 -3.15023736 -17.60027301
0.00033217 0.00000202 -0.00010296
-0.00049348 -0.01563102 0.00952306
14.27271660 16.40589571 -21.32707806
0.00012874 -0.00000111 -0.00018291
0.00187941 0.02450142 0.00904110
-14.56952618 17.70981777 -13.37304599
0.00006501 0.00033175 -0.00029339
0.00213612 -0.03951182 0.01812581
1.39153490 15.05589069 7.84638865
-0.00006915 -0.00030117 -0.00038746
-0.00222858 0.00266263 0.00230474
-4.35478108 -9.19438431 3.89940336
0.00034380 0.00003200 -0.00022286
0.02535526 -0.01383191 -0.03516807
2.10678223 -5.15719520 2.30451002
0.00006374 -0.00002575 -0.00009683
-0.00226828 0.03949820 0.01193740
9.66402833 7.20509697 4.38631062
0.00004882 0.00014581 -0.00015279
0.02592191 -0.02969348 0.04345579
-9.30720850 -10.31618380 -2.59639968
-0.00022650 -0.00015585 0.00026576
0.03832842 -0.02091387 -0.01123438
3.41665048 -15.62274090 -13.12425656
-0.00001476 0.00000889 -0.00010065
0.01809864 0.01632437 -0.02227599
3.83568342 -5.71321880 -3.11627598
0.00027230 -0.00007655 0.00047133
-0.02033862 0.02415766 -0.02409411
18.39362391 1.88882514 24.45702609
-0.00002630 -0.00016374 -0.00014260
-0.01454985 -0.00611350 0.00080639
-8.95157848 2.46934056 1.53563216
-0.00032578 -0.00036540 0.00007123
0.00268208 0.00621872 0.00241843
-5.90250131 12.51507891 -9.77034599
0.00038258 -0.00045151 0.00016254
-0.02290060 -0.00333609 0.01207327
1.61217032 13.30831126 -7.55148920
0.00003018 0.00010210 0.00030429
0.01236102 0.00909130 0.01832427
-11.18991170 10.03485023 -12.51014293
-0.00037057 -0.00013660 -0.00006432
-0.00062194 0.02201185 0.01523181
7.84315834 3.89133958 14.63776043
0.00006385 -0.00034409 0.00010381
-0.01243742 0.00582660 -0.00161690
-15.34401788 9.90460854 -7.74142936
0.00036928 0.00045612 0.00065622
0.00021023 0.02267307 0.00674858
8.55462394 7.69108400 -3.05749566
-0.00029969 -0.00026383 0.00019368
0.00719066 0.01662843 0.01221288
14.15976610 -20.69562243 -26.67462857
-0.00010549 0.00006830 0.00027875
-0.00876022 -0.00821194 0.01591558
5.12413394 6.80597566 1.78837841
0.00008418 -0.00020651 0.00040601
-0.01006125 0.02712829 0.01659515
18.22618847 -5.85306743 -7.48238254
-0.00017286 0.00006803 0.00028371
0.02822773 0.00870471 0.00869663
-1.96033712 -2.16817120 -2.02404487
-0.00007691 -0.00017510 0.00017840
-0.00321646 0.01534480 -0.00959670
2.79616725 -2.11355997 -12.02656365
0.00005574 -0.00010698 0.00002549
0.02609284 -0.03356201 -0.00806564
19.74076630 9.15354488 -6.07287398
0.00030782 -0.00045110 0.00020729
-0.00765297 0.00236601 0.00076839
-7.67721058 5.70103570 8.69187567
-0.00017284 -0.00002803 -0.00035536
-0.00719264 0.06788418 0.00573210
-1.72835453 -16.11046656 11.36867529
0.00012526 -0.00004640 -0.00009736
-0.01210280 -0.00506012 -0.00714608
7.60725056 -0.36768156 -4.74227417
0.00004488 0.00045699 -0.00018952
0.02492974 0.01745354 0.06476277
-1.04445939 -12.23222389 0.69408425
-0.00006623 -0.00016230 0.00011508
-0.00145209 0.01326181 -0.00125865
-20.00734686 -0.48359743 5.32280913
-0.00019873 0.00049966 0.00008578
0.01770751 -0.01645957 0.01195978
-6.43468713 7.98839539 -25.16752557
0.00026784 0.00020759 -0.00005955
0.02980770 0.00766493 -0.04400145
2.37080946 1.96378829 -1.87815212
-0.00019186 -0.00011820 -0.00013801
-0.00356325 -0.03606929 0.01025496
14.62018456 8.19230591 4.13793173
-0.00028408 -0.00016344 0.00003861
0.02908948 0.03963719 0.01743342
-8.19457704 -6.75250731 10.21763118
0.00059518 -0.00063565 -0.00020102
0.01757419 -0.03707648 0.00166997
-10.34513545 -5.65995833 8.40714761
-0.00020063 0.00064484 0.00073374
0.00967563 -0.01000409 0.00899967
-13.15174169 5.80758615 7.36423315
-0.00036378 -0.00114027 -0.00069339
-0.00103175 -0.00366046 0.00028607
-13.61060365 3.22178216 8.69436806
0.00103161 -0.00046873 0.00105068
0.00434574 -0.00605949 -0.00114125
-14.60748936 1.53087036 4.25619791
0.00078332 -0.00010296 -0.00023606
0.00923044 0.00375530 0.02177168
-17.38022596 0.81233322 3.70289761
-0.00087823 -0.00037079 0.00103432
-0.00740141 -0.00422633 0.00696720
2.50408343 -21.44598078 12.86624591
-0.00072605 0.00129985 0.00049471
-0.00113276 0.01333362 -0.01066545
3.29844393 -19.74465328 14.89501150
-0.00014703 -0.00048086 -0.00144715
0.01390715 0.00979493 0.02281682
9.21008660 19.18875441 0.04115832
0.00001068 0.00081459 -0.00041911
-0.01173524 -0.02608370 0.00579884
8.76748092 21.80266230 1.48246401
-0.00021750 -0.00033605 0.00012845
-0.00663778 -0.01405387 -0.01097508
-10.52647484 12.11099530 16.71012708
0.00037145 -0.00020646 0.00009570
0.01440211 -0.00946597 0.03470631
-11.30597764 14.63217983 15.60836668
0.00060070 0.00072023 0.00087952
-0.00084653 -0.02766873 -0.00799246
-5.99832037 0.10797616 -14.45837970
-0.00010476 0.00028171 -0.00037304
-0.00416308 -0.00415562 0.01159594
-7.10289760 0.30518964 -11.44993148
-0.00117195 0.00058038 -0.00035269
0.02334959 0.00510768 -0.03905869
-7.93033218 8.27662266 -6.75199281
0.00076035 -0.00009355 -0.00090174
-0.00029552 -0.00044454 -0.00311649
-9.79805989 6.76060685 -5.27136145
0.00046065 0.00137901 -0.00048461
-0.00736813 0.00321885 0.00981749
-7.65773162 -1.84422630 17.95133118
0.00006348 -0.00026848 -0.00021371
0.01089753 -0.04817186 0.00462130
-7.13019787 -4.23714450 19.84042386
0.00010784 -0.00000425 -0.00052303
-0.00821177 0.00418366 -0.02263260
-24.66609421 -6.22333292 -23.53193731
0.00085798 0.00121074 -0.00077313
0.00567074 0.00504821 -0.00290361
-21.84039248 -6.89008958 -23.78776977
-0.00079322 -0.00033150 -0.00069310
0.00656165 0.00990720 0.00004287
8.66360066 13.09062053 4.91356955
0.00006392 0.00008273 0.00082643
-0.00022663 0.00509240 -0.05265607
9.61648754 11.82439851 7.27552499
0.00127753 -0.00017360 -0.00005471
-0.00745315 0.00666610 0.01402152
24.14008488 27.42543281 -2.58188626
0.00003388 0.00015592 -0.00024310
0.00386114 -0.02214273 0.00629355
22.75217070 29.77371947 -1.48353390
-0.00093745 -0.00134304 0.00032341
-0.00216700 -0.00452301 -0.00803506
11.12458119 -0.72786340 -14.29000358
0.00110036 0.00060465 0.00075650
-0.02761932 0.01919163 -0.00307119
8.35415846 -1.37221379 -14.65720682
0.00020775 0.00034243 0.00035878
-0.00387724 -0.00929865 0.00744754
-9.70263828 -1.38759198 14.16369249
0.00050997 -0.00036396 -0.00060728
0.00151566 0.02099332 0.01595660
-9.41835955 -2.94044534 11.97602020
0.00018223 -0.00103695 0.00003477
0.01335384 0.02661135 -0.01887286
-3.26345145 -26.50785742 11.98716584
-0.00010603 -0.00031322 0.00033761
0.02021635 0.00590738 -0.01329081
-3.34761038 -25.66979735 9.20161612
0.00018149 0.00053317 -0.00037797
-0.00093814 0.00590858 -0.01205357
-14.88641902 -2.46708015 -6.54895566
-0.00056786 -0.00011213 -0.00101394
0.00315405 0.00317676 0.00155173
-16.07750352 -3.78522078 -8.89638302
-0.00015035 -0.00020255 -0.00064098
-0.00503945 0.00298218 -0.00049104
-19.03161341 -9.55470929 -19.14760553
-0.00081121 -0.00050164 0.00072319
-0.00164798 0.03704719 -0.00464343
-18.17727289 -12.15625028 -19.05904106
-0.00011878 -0.00051837 0.00013820
-0.01078659 -0.00678351 0.01423863
22.52027859 6.16776063 3.89242267
-0.00028577 0.00124573 0.00076230
0.00552402 -0.01175896 -0.00582924
20.38523795 6.89582653 5.41377109
0.00045608 0.00088185 -0.00041485
-0.02204076 0.01408850 0.01391683
18.54770395 -11.06320564 -11.88331305
0.00092791 -0.00090369 -0.00052095
-0.03190569 0.01641400 0.03138586
18.90440787 -10.68043069 -14.74027762
0.00094815 0.00032111 -0.00022448
-0.00917906 0.01161861 -0.00196026
-1.69435272 0.64585980 -6.74451765
0.00021915 -0.00029395 0.00081577
-0.02134336 -0.00060038 -0.00109412
-4.69726365 0.70142724 -6.19968341
0.00064193 0.00105761 -0.00006615
0.01170956 -0.00130098 0.00183866
-3.12762793 -4.47729762 -18.72980041
-0.00081638 0.00067929 -0.00033475
-0.00287247 0.01167360 0.00440037
-3.68630552 -1.56524121 -18.48082387
-0.00003773 0.00045847 0.00001372
0.00294007 0.01145691 -0.01203711
13.89468108 17.88488475 -20.29593851
0.00064565 0.00102533 -0.00050697
0.01463497 -0.00406575 -0.00017575
12.52845491 15.93787415 -21.59693302
-0.00018974 -0.00012971 0.00084398
-0.00984767 -0.01755985 -0.00876494
-13.93953345 17.08617093 -11.68486277
-0.00004305 -0.00023140 0.00012116
-0.00977646 0.01458259 -0.03172064
-14.54920480 16.07389305 -14.40684347
0.00062087 0.00112702 0.00039063
0.00299197 0.01687400 0.01414731
1.99023460 15.86978293 6.31736516
-0.00038631 0.00073271 -0.00007782
-0.00579701 -0.00256948 0.00297618
-0.03245869 16.03165284 8.52878848
-0.00110002 0.00152728 -0.00091971
0.00723624 -0.00424105 -0.00480400
-4.60594007 -7.95153440 2.51444745
0.00072926 0.00027192 0.00033752
-0.00801819 -0.01637585 0.02122776
-3.15559281 -10.42523461 3.01884462
-0.00032110 -0.00000635 0.00014660
-0.02147889 0.02042583 0.01300207
1.21052744 -3.74715017 3.35245069
0.00029871 0.00076914 0.00003016
0.03567837 -0.02888364 -0.03779152
3.32407266 -4.39303194 1.04345883
-0.00059800 0.00008181 0.00104915
-0.02981576 -0.01004879 0.03101037
8.20388345 7.65668956 3.57100170
-0.00035096 -0.00054224 -0.00060170
-0.04293274 0.01241542 -0.03442624
11.16492445 7.85411222 3.65819347
-0.00025314 -0.00010041 -0.00025049
0.02096617 0.01228307 -0.00793022
-7.78801875 -11.49261849 -2.21856141
-0.00032781 -0.00119380 0.00076879
-0.03747092 0.01572316 -0.00883681
-10.32342271 -9.97244422 -1.16672691
0.00057340 -0.00006022 0.00053683
-0.00750608 0.00584156 0.01940609
5.23706538 -16.11432491 -13.14040735
-0.00022860 -0.00091859 -0.00196488
-0.01401370 -0.00271821 0.00713461
2.53688212 -16.31953175 -11.73231484
-0.00155367 0.00023826 0.00093396
-0.00248276 -0.01485888 0.01503292
4.54084553 -4.69312257 -4.54324119
-0.00094213 0.00047782 -0.00014996
0.00170382 -0.01952313 0.01996366
5.16529664 -6.63796271 -2.34345986
-0.00050797 0.00043503 0.00027360
0.02250072 -0.00742817 0.00432275
16.69669755 2.62204096 24.51989160
-0.00016537 -0.00029914 0.00068565
-0.00151992 -0.01150910 -0.00874773
19.31972172 3.16265664 25.36629631
-0.00028481 0.00021456 -0.00092801
0.01461189 0.00627459 0.00254140
-9.58116450 0.75728766 1.38221021
0.00026199 -0.00053790 -0.00049082
-0.00639128 0.00167762 0.00356119
-9.98360630 3.38096215 2.75537432
0.00022096 0.00022794 -0.00006708
0.00173037 -0.00479512 -0.00787754
-5.02410233 13.66961492 -8.57047964
-0.00006804 0.00045259 -0.00014264
-0.00519623 -0.00363729 -0.00650460
-7.61093385 12.22469739 -9.04625566
0.00008346 -0.00041417 -0.00078863
0.02013163 0.00447877 -0.00970601
1.42960910 11.68395515 -6.68528242
-0.00002538 -0.00032404 -0.00093174
-0.00557577 0.01807464 0.00021212
2.12721157 14.57547864 -6.23520496
0.00087535 0.00031809 -0.00046282
-0.00495741 -0.02859611 -0.01530683
-10.77928073 8.36831574 -13.04936115
-0.00055717 0.00083866 0.00078834
0.00137473 -0.01599714 0.00635344
-11.73631253 10.03885298 -10.73274788
0.00030728 -0.00025332 0.00035926
0.00277105 -0.00717085 -0.02022691
7.37708625 5.30976362 13.54144121
-0.00154300 0.00033999 0.00051694
0.00684240 -0.01046752 0.00791832
9.63555512 3.73688871 14.54113554
-0.00018377 -0.00071657 0.00030430
0.00960570 0.00541904 -0.00734766
-14.19818028 11.36036935 -7.30493617
-0.00006355 0.00106015 -0.00098022
-0.00518629 -0.01868958 -0.00732054
-16.96396419 10.74922681 -7.96998877
-0.00029650 -0.00021365 -0.00022576
0.00537970 -0.00489825 -0.00064259
9.25636848 9.33229952 -2.52679595
-0.00032649 -0.00054680 -0.00143707
-0.00388311 -0.01774201 -0.00218326
7.67912157 8.15179399 -4.59119294
-0.00066951 0.00100458 -0.00079071
-0.00438336 -0.00104592 -0.00851378
14.47201148 -19.09744126 -27.44640615
0.00001575 0.00033677 -0.00048570
-0.00052713 0.01827969 -0.00898226
13.50895154 -20.26677232 -25.00042451
0.00075958 -0.00006807 -0.00008961
0.00631055 0.00048382 -0.00464404
4.98792619 5.04509670 1.97919290
0.00046379 -0.00063659 -0.00047831
0.00217388 -0.03505120 0.01575465
5.42035461 6.93348711 0.04453956
-0.00021473 -0.00026098 -0.00031458
0.01184908 0.01184321 -0.03314774
20.02172202 -5.60802484 -6.93502211
-0.00043800 0.00159538 -0.00008262
-0.03650358 -0.00786688 -0.00192477
17.05323585 -4.98287941 -6.30449228
-0.00000279 -0.00004116 -0.00064508
0.00702056 0.00080366 0.00421008
-2.59260692 -0.71563156 -1.04831385
0.00027850 -0.00022274 -0.00086611
0.00450241 -0.01129498 -0.00903614
-2.26779833 -1.69391156 -3.86318845
-0.00083420 -0.00029631 0.00086678
-0.00364760 -0.00294384 0.03097527
3.95655064 -3.58176255 -12.49650571
-0.00009109 -0.00033215 -0.00041272
-0.01982163 0.02916024 0.01169473
1.13300809 -2.90059923 -11.81477930
0.00022215 -0.00018760 -0.00004797
-0.00249315 0.00388271 0.00010993
19.86981131 8.66031720 -7.80981735
0.00019813 0.00052100 0.00062477
-0.00246756 -0.00456043 -0.01177114
20.97480220 8.07926495 -5.26319293
-0.00037971 -0.00006534 -0.00061798
0.00837064 -0.00795487 0.01055201
-7.19426268 4.02819834 8.79356940
-0.00040696 -0.00045499 -0.00046467
0.01460409 -0.06618214 -0.00302108
-6.88530795 6.36611362 10.19460145
0.00057590 -0.00069862 -0.00088506
-0.00731421 0.00606056 0.00000748
-1.92538609 -17.91984298 11.57256767
0.00079243 -0.00042372 -0.00000564
0.00421582 0.00339562 0.00213608
-2.80991692 -15.73571390 9.92581778
0.00021601 -0.00049919 0.00000727
0.00881566 0.00277701 0.00672810
8.55692691 -0.36589610 -3.03337262
0.00068081 0.00044559 0.00036613
-0.02005638 -0.00699158 -0.03735372
7.66272358 1.37827078 -5.27101310
0.00040980 -0.00003915 -0.00032083
-0.00159828 0.00793195 -0.01140050
0.31011147 -11.94174811 1.93330132
-0.00038083 -0.00034485 0.00002076
-0.00250993 0.00245328 -0.00508977
-1.18986239 -10.57364651 -0.23136251
-0.00094035 -0.00023346 0.00029275
0.00186017 -0.01238750 0.00531754
-19.27670119 -1.19123037 6.93935883
0.00077876 0.00087842 0.00049813
-0.01645395 0.01183073 -0.01406269
-21.36808268 0.53905737 5.92511693
0.00026718 -0.00001202 -0.00044204
-0.00674774 0.00777588 0.00107803
-5.18110713 8.20224332 -26.73465292
-0.00106050 0.00038895 -0.00098162
-0.02064251 -0.00131221 0.04769960
-5.32819638 7.69547210 -23.79899767
-0.00082953 0.00054589 -0.00019296
0.01564327 -0.00545214 0.01825257
4.11258580 1.83816540 -2.31470139
-0.00055533 0.00075897 0.00056430
0.01486505 -0.00153453 -0.00327315
1.98719573 0.16950869 -1.43039875
-0.00106793 0.00040264 -0.00012633
-0.00476051 0.02796908 -0.00743050
14.95427715 7.68279764 5.91915601
-0.00018632 0.00018523 0.00025468
-0.01009892 -0.00548009 -0.01678092
15.42976684 9.93551443 4.11081054
-0.00043870 0.00098011 -0.00033876
-0.01876338 -0.03156905 -0.00614571
1.59114601 -11.74238163 -13.94134421
0.00021050 0.00010118 -0.00012371
0.00958518 0.00679325 0.00364575
-13.57441401 14.67646970 22.80148594
-0.00004034 0.00013216 0.00013965
-0.00483630 0.00039755 -0.00145001
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02508489
0.34175007
455.36483426
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1326338561
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3419562425 (a.u.)
total exchange computation time: 2.7733671665 s
-154.0763224269
-931.36203294
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1326338561
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3417332436 (a.u.)
total exchange computation time: 2.7735500336 s
-154.0786916654
Anderson extrapolation: theta=1.3627640973 (1.3627640973)
-931.36226691
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1326338561
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3413413400 (a.u.)
total exchange computation time: 2.7754549980 s
-154.0826177192
Anderson extrapolation: theta=0.0592326597 (0.0592326597)
-931.36241037
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1326338561
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3412476148 (a.u.)
total exchange computation time: 2.7736158371 s
-154.0834596203
Anderson extrapolation: theta=2.0935593783 (2.0000000000)
-931.36241708
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1326338561
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3410404780 (a.u.)
total exchange computation time: 2.7734680176 s
-154.0852688973
Anderson extrapolation: theta=0.2826100964 (0.2826100964)
-931.36242523
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1326338561
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3409818208 (a.u.)
total exchange computation time: 2.7775449753 s
-154.0857379731
Anderson extrapolation: theta=1.4957644603 (1.4957644603)
-931.36242712
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1326338561
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3409167614 (a.u.)
total exchange computation time: 2.7757849693 s
-154.0862094736
Anderson extrapolation: theta=0.3500754106 (0.3500754106)
-931.36242911
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1326338561
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3409171348 (a.u.)
total exchange computation time: 2.7728369236 s
-154.0861525769
Anderson extrapolation: theta=1.0867773681 (1.0867773681)
-931.36242968
-22.053115 -126.525962 -244.595029
-137.142639 458.298165 -805.865238
-159.195754 331.772203 -1050.460267
1113.051146
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1326338561
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3409346560 (a.u.)
total exchange computation time: 2.7745909691 s
678.43106227
-1083.08089562
89.81458569
-389.47239226
-174.71385551
77.93320930
551.60419304
0.00000000
-931.36243009
-9.17441191 -5.35037949 9.79425534
0.00005043 0.00012599 0.00014858
-0.01738335 0.03246568 -0.00516919
-13.77111104 5.02295303 8.91992900
0.00008193 0.00003520 -0.00010258
-0.00725972 0.00742791 0.00152217
-15.85878776 1.53404881 2.97391074
-0.00004565 -0.00004289 -0.00004530
-0.00621982 0.00014403 -0.01853259
2.35831578 -19.67188240 13.39205133
-0.00016196 -0.00020854 0.00030044
-0.02335732 -0.01445148 -0.02344496
9.90439389 20.80367722 0.37918053
0.00047721 -0.00004354 -0.00036944
0.01154102 0.04058365 0.00224986
-11.23977268 12.79065851 15.20838838
-0.00023047 0.00002015 -0.00008213
-0.01071008 0.04687134 -0.02461336
-5.97213830 1.06046629 -12.89630385
0.00011274 -0.00022644 0.00020991
-0.01608247 -0.00507142 0.02372559
-8.88881419 6.74360123 -6.83380767
0.00002165 0.00016167 0.00002337
-0.00015687 -0.00768282 -0.02437268
-7.36416988 -3.77394017 18.01790069
0.00033909 -0.00013594 -0.00001485
-0.00636293 0.03756110 0.00978168
-23.49656839 -7.61926210 -23.63885981
-0.00026055 -0.00025988 -0.00038424
-0.01719799 -0.01069902 -0.00180687
8.54358702 13.22212005 6.65233560
0.00031749 0.00051758 0.00007607
0.00690458 -0.00790019 0.04756119
23.06252850 28.77208434 -3.01229698
-0.00031599 -0.00027614 0.00037956
-0.01433603 0.03640939 -0.00488205
9.46007793 0.08199445 -14.66891933
0.00022067 0.00026806 -0.00022369
0.03712372 -0.00735343 -0.00379914
-9.13697588 -1.10966080 12.46471707
-0.00027399 -0.00017506 -0.00023350
-0.01405498 -0.04673059 -0.00164127
-2.15486869 -25.91868629 10.53649617
-0.00011151 -0.00001765 0.00003227
-0.01365308 -0.01335656 0.01514013
-15.28415465 -4.11458465 -7.30558533
-0.00014219 -0.00008976 -0.00022043
-0.00470916 -0.02208132 -0.01604531
-19.42429394 -11.03392989 -18.24030754
0.00010225 0.00000033 -0.00015395
0.01340413 -0.04043559 -0.00453062
21.05617282 5.41896848 4.69379726
-0.00042849 0.00014741 0.00012895
0.02099280 0.00102564 -0.00592591
19.54111773 -11.52234637 -13.26515821
0.00055338 0.00024091 0.00024502
0.03544104 -0.02647857 -0.04650242
-3.24722347 -0.37111238 -6.54365445
-0.00029448 -0.00026773 0.00008539
0.02086087 0.00939666 -0.00652013
-3.69126880 -3.15026729 -17.60178067
0.00033150 -0.00000427 -0.00009758
-0.00211120 -0.00884899 0.01139129
14.27465496 16.40597353 -21.32978682
0.00012929 0.00001216 -0.00017777
0.00027136 0.02710316 0.01092698
-14.56854285 17.71464155 -13.37737697
0.00006639 0.00031224 -0.00028265
0.00324566 -0.03633431 0.02366182
1.39048906 15.05138334 7.84058565
-0.00007241 -0.00029789 -0.00038564
-0.01044782 0.01012428 0.00478771
-4.34952631 -9.19395767 3.89592476
0.00035635 0.00002499 -0.00024003
0.02345962 -0.01341286 -0.03159419
2.10772963 -5.15742904 2.30310358
0.00006123 -0.00000543 -0.00008923
-0.00751849 0.03951537 0.01763060
9.66486063 7.20716954 4.38418635
0.00006054 0.00013074 -0.00013076
0.01965200 -0.02889464 0.04221177
-9.31045822 -10.31860226 -2.59245667
-0.00020613 -0.00016722 0.00025997
0.04090547 -0.02330491 -0.01125132
3.41649889 -15.62254462 -13.12585220
-0.00000730 0.00001622 -0.00010994
0.01089581 0.01217576 -0.01384823
3.83968943 -5.71427389 -3.10929902
0.00026015 -0.00006283 0.00045768
-0.02688716 0.02919931 -0.02897829
18.39317336 1.88634540 24.45489013
-0.00003418 -0.00016706 -0.00014229
-0.01610898 -0.00677502 0.00041158
-8.95645479 2.46388354 1.53670998
-0.00032391 -0.00036218 0.00007221
0.00457061 0.00629101 0.00136553
-5.89685098 12.50829338 -9.76786131
0.00037106 -0.00045305 0.00016864
-0.02189590 -0.00265029 0.01162940
1.61267072 13.30987780 -7.54685423
0.00003649 0.00010697 0.00031280
0.01218783 0.00983490 0.01479198
-11.19547266 10.03288610 -12.51104899
-0.00037147 -0.00012304 -0.00005528
-0.00288723 0.03074039 0.01993316
7.84406809 3.88620073 14.63931137
0.00005634 -0.00034033 0.00010247
-0.01676670 0.00879914 -0.00361242
-15.33847783 9.91153779 -7.73156000
0.00036847 0.00046775 0.00065937
-0.00335981 0.02256352 0.00548824
8.55015636 7.68719075 -3.05454342
-0.00029775 -0.00025552 0.00019718
0.00032752 0.01568084 0.00143142
14.15814996 -20.69462955 -26.67038591
-0.00010921 0.00006487 0.00028512
-0.00571590 -0.00513031 0.00886742
5.12535785 6.80298271 1.79453264
0.00007920 -0.00019337 0.00041292
-0.00929534 0.02394308 0.01025562
18.22370448 -5.85201334 -7.47809338
-0.00015791 0.00007208 0.00028727
0.02990971 0.00701014 0.00514761
-1.96150318 -2.17073857 -2.02140596
-0.00007816 -0.00016811 0.00017339
-0.00164657 0.01185475 -0.00988084
2.79710403 -2.11529413 -12.02621248
0.00006944 -0.00012430 0.00002117
0.02716236 -0.03378129 -0.00870054
19.74535407 9.14678758 -6.06976167
0.00030247 -0.00044836 0.00020790
-0.01316363 0.00826357 0.00162199
-7.67983099 5.70087709 8.68656742
-0.00017642 0.00000531 -0.00035287
-0.00673196 0.06175992 0.00395074
-1.72652232 -16.11118210 11.36718738
0.00011932 -0.00004972 -0.00010056
-0.01101258 -0.00782466 -0.00529316
7.60801992 -0.36075936 -4.74486711
0.00005808 0.00046499 -0.00015543
0.02638719 0.01365684 0.06780139
-1.04545837 -12.23460720 0.69580555
-0.00006753 -0.00015576 0.00011416
-0.00360676 0.01214681 -0.00231124
-20.01025958 -0.47616606 5.32414204
-0.00018787 0.00048997 0.00009190
0.02455462 -0.02120163 0.01181943
-6.43055453 7.99153881 -25.16858852
0.00028140 0.00021185 -0.00008357
0.02289799 0.00888228 -0.04943011
2.36791784 1.96187619 -1.88018276
-0.00019497 -0.00013591 -0.00013260
-0.00854284 -0.03282595 0.01080270
14.61603552 8.19000717 4.13857819
-0.00026863 -0.00014194 0.00004753
0.03099447 0.04399309 0.01723418
-8.18511077 -6.76317823 10.21466708
0.00065716 -0.00077336 -0.00019861
0.01276520 -0.03033291 -0.00049090
-10.34784844 -5.65059232 8.41842956
-0.00016483 0.00060252 0.00076551
0.00785170 -0.01070975 0.00654898
-13.15722997 5.79036989 7.35384101
-0.00036658 -0.00115324 -0.00069360
-0.00034170 -0.00268863 -0.00038882
-13.59499628 3.21456555 8.71009331
0.00104819 -0.00048675 0.00104676
0.00377026 -0.00276358 -0.00077800
-14.59545676 1.52944101 4.25332422
0.00081494 -0.00008768 -0.00015273
0.00624738 0.00372576 0.01901559
-17.39362617 0.80664188 3.71862595
-0.00089401 -0.00038105 0.00105616
-0.00032238 -0.00079876 0.00372340
2.49315798 -21.42607445 12.87333970
-0.00072994 0.00133298 0.00044351
-0.00076963 0.00288252 -0.01439517
3.29666458 -19.75156602 14.87400348
-0.00007497 -0.00044039 -0.00133011
0.02137107 0.01001585 0.03447563
9.20988719 19.20017392 0.03504932
-0.00004018 0.00069852 -0.00039820
-0.01316287 -0.03072918 0.00443732
8.76401499 21.79719096 1.48405437
-0.00023949 -0.00039546 0.00007945
-0.00412586 -0.01503082 -0.01300950
-10.52046176 12.10760840 16.71262607
0.00042649 -0.00024244 0.00023048
0.01253955 -0.00814765 0.03126985
-11.29699314 14.64213538 15.62131451
0.00059682 0.00059766 0.00084401
-0.00105173 -0.03233041 -0.00938758
-6.00001936 0.11207441 -14.46361994
-0.00012216 0.00026628 -0.00032274
-0.00435418 -0.00339638 0.01302399
-7.11976138 0.31405180 -11.45641874
-0.00107576 0.00059948 -0.00051108
0.02373673 0.00424401 -0.03847269
-7.91893600 8.27520579 -6.76561440
0.00075768 -0.00009724 -0.00091522
-0.00100891 -0.00136001 -0.00348128
-9.79137593 6.78139066 -5.27832972
0.00042501 0.00139183 -0.00043518
-0.01007857 0.00305552 0.01437591
-7.65644550 -1.84972964 17.94826721
0.00010778 -0.00046347 -0.00019466
0.01078570 -0.04727853 0.00470152
-7.12883197 -4.23708001 19.83188495
0.00007504 0.00001083 -0.00060860
-0.00784116 0.00319878 -0.01925552
-24.65305067 -6.20501717 -23.54362329
0.00088236 0.00122549 -0.00078474
0.00626234 0.00217143 -0.00277946
-21.85208972 -6.89475848 -23.79816497
-0.00075693 -0.00029034 -0.00069367
0.01120514 0.01024029 -0.00032359
8.66455255 13.09201758 4.92435247
0.00006315 0.00010281 0.00059760
-0.00015344 0.00473302 -0.05935963
9.63542206 11.82199876 7.27513399
0.00123880 -0.00013659 -0.00000094
-0.01150635 0.01145042 0.01229845
24.14071146 27.42709305 -2.58533994
0.00005216 0.00006254 -0.00021647
0.00508742 -0.02356827 0.00674366
22.73804250 29.75343529 -1.47892899
-0.00094699 -0.00135731 0.00029614
-0.00250103 -0.00246358 -0.00531443
11.14024021 -0.71820551 -14.27875019
0.00097811 0.00068570 0.00074139
-0.03222065 0.02048151 -0.00432428
8.35715596 -1.36736233 -14.65159687
0.00019271 0.00030354 0.00038922
-0.00348606 -0.00973887 0.00745313
-9.69494232 -1.39240807 14.15507227
0.00051312 -0.00027885 -0.00053321
0.00002577 0.02066986 0.02029992
-9.41521689 -2.95518418 11.97596340
0.00023739 -0.00092209 -0.00004172
0.01364878 0.02961650 -0.01856948
-3.26442238 -26.51237469 11.99182272
-0.00002303 -0.00028805 0.00027978
0.02041425 0.00641143 -0.01501677
-3.34491680 -25.66161877 9.19557728
0.00017899 0.00055662 -0.00042341
-0.00028481 0.00556920 -0.01019263
-14.89484019 -2.46866480 -6.56411715
-0.00055325 -0.00009435 -0.00100418
0.00399470 0.00552828 0.00322256
-16.07991325 -3.78816766 -8.90601271
-0.00016858 -0.00019184 -0.00063800
-0.00388058 0.00225940 0.00194981
-19.04383199 -9.56109863 -19.13690004
-0.00081298 -0.00033581 0.00069423
0.00077847 0.04412869 -0.00953002
-18.17938518 -12.16423375 -19.05653179
-0.00016289 -0.00054362 0.00019561
-0.01080238 -0.00557436 0.01386411
22.51616130 6.18608624 3.90367858
-0.00026465 0.00119301 0.00073865
0.00481590 -0.01404565 -0.00574881
20.39140373 6.90948602 5.40797478
0.00036363 0.00093737 -0.00035718
-0.02321491 0.01308670 0.01431524
18.56064485 -11.07625804 -11.89016547
0.00078602 -0.00083129 -0.00037778
-0.03754657 0.01902632 0.03869268
18.91834881 -10.67525796 -14.74370494
0.00091173 0.00036650 -0.00022750
-0.00864768 0.01059873 0.00048214
-1.69171957 0.64143215 -6.73231457
0.00012964 -0.00029972 0.00081127
-0.02247105 -0.00222457 -0.00110895
-4.68727595 0.71725150 -6.20061933
0.00068817 0.00105090 -0.00005842
0.01092559 -0.00198301 0.00194565
-3.13996166 -4.46675055 -18.73468679
-0.00082445 0.00071860 -0.00032370
-0.00107715 0.00756692 0.00100888
-3.68678135 -1.55801303 -18.48098700
-0.00002588 0.00050022 -0.00003238
0.00286002 0.00897724 -0.01052797
13.90481423 17.90014013 -20.30354846
0.00070591 0.00100195 -0.00051228
0.01486280 -0.00737822 -0.00242160
12.52530707 15.93539042 -21.58454186
-0.00022749 -0.00020001 0.00080918
-0.00863249 -0.01685069 -0.00827198
-13.94047875 17.08314675 -11.68401738
-0.00008453 -0.00016914 -0.00001222
-0.01053027 0.01589491 -0.03356842
-14.53980009 16.09131540 -14.40055047
0.00063205 0.00118711 0.00044095
0.00247925 0.01253985 0.01048115
1.98426226 15.88069479 6.31628910
-0.00040820 0.00071988 -0.00006578
-0.00491679 -0.00370772 0.00291685
-0.04873719 16.05443212 8.51484569
-0.00105562 0.00149714 -0.00094368
0.01449364 -0.01051321 -0.00693317
-4.59524682 -7.94795736 2.52016069
0.00069603 0.00020776 0.00042039
-0.00824756 -0.01503290 0.01933903
-3.16106750 -10.42470388 3.02144208
-0.00040471 0.00007345 0.00019658
-0.01944917 0.01863385 0.01146035
1.21610144 -3.73649808 3.35174501
0.00044475 0.00064687 -0.00012514
0.03580531 -0.03096928 -0.03822943
3.31418902 -4.39211266 1.06014640
-0.00070974 0.00004509 0.00116527
-0.02488271 -0.00792539 0.02583001
8.19730353 7.64893641 3.56092125
-0.00051746 -0.00049485 -0.00073789
-0.03857474 0.01077995 -0.03224016
11.16176987 7.85298242 3.65419312
-0.00016413 -0.00004874 -0.00028489
0.02260087 0.01301034 -0.00891114
-7.79408411 -11.51004375 -2.20730034
-0.00048339 -0.00112594 0.00072959
-0.03868835 0.01749492 -0.01035339
-10.31505173 -9.97316845 -1.15807978
0.00053975 -0.00003521 0.00061782
-0.00896636 0.00639809 0.02023993
5.23320695 -16.12818709 -13.16966190
-0.00028641 -0.00093032 -0.00193179
-0.01428642 -0.00302072 0.00906389
2.51350102 -16.31641319 -11.71784485
-0.00154856 0.00018677 0.00097482
0.00498442 -0.01034589 0.00497047
4.52676574 -4.68655349 -4.54487887
-0.00093414 0.00039513 -0.00006425
0.00221114 -0.02095535 0.02199129
5.15836660 -6.63166489 -2.33922343
-0.00040368 0.00039758 0.00029673
0.02854962 -0.01090269 0.00700036
16.69417036 2.61720114 24.52990834
-0.00017110 -0.00034701 0.00064916
-0.00128134 -0.01192208 -0.00911617
19.31589729 3.16606729 25.35245410
-0.00022259 0.00024244 -0.00091585
0.01584769 0.00737223 0.00340977
-9.57743044 0.74927054 1.37495710
0.00023430 -0.00052983 -0.00047484
-0.00716644 0.00227441 0.00426090
-9.98023880 3.38423432 2.75412676
0.00022603 0.00020731 -0.00009818
0.00074815 -0.00530265 -0.00734809
-5.02528216 13.67629231 -8.57281858
-0.00009032 0.00043586 -0.00016973
-0.00570840 -0.00455040 -0.00675456
-7.60906512 12.21862203 -9.05838259
0.00016450 -0.00039556 -0.00082650
0.01954127 0.00463308 -0.00882916
1.42905749 11.67964838 -6.69925202
-0.00004777 -0.00025115 -0.00092707
-0.00538143 0.01760737 0.00207607
2.14018986 14.57937373 -6.24261637
0.00085493 0.00020050 -0.00052197
-0.00503599 -0.02896736 -0.01364669
-10.78759621 8.38040549 -13.03734143
-0.00054677 0.00075388 0.00080675
0.00371807 -0.02550477 0.00266260
-11.73161836 10.03483345 -10.72797873
0.00031869 -0.00028116 0.00027426
0.00281091 -0.00645885 -0.02138213
7.35415088 5.31454265 13.54943795
-0.00150906 0.00028977 0.00055440
0.00977149 -0.01411538 0.01042067
9.63309295 3.72630629 14.54547486
-0.00014167 -0.00069242 0.00027251
0.01100381 0.00640242 -0.00821133
-14.19929240 11.37569896 -7.31986381
-0.00008306 0.00098553 -0.00100803
-0.00436770 -0.01783772 -0.00629156
-16.96824688 10.74587199 -7.97339480
-0.00026917 -0.00023580 -0.00022714
0.00800240 -0.00594389 -0.00003665
9.25135219 9.32355381 -2.54841888
-0.00033692 -0.00060976 -0.00143961
-0.00122487 -0.01307780 0.00093977
7.66894467 8.16683061 -4.60331441
-0.00067901 0.00099319 -0.00080979
-0.00026950 -0.00452883 -0.00082708
14.47223161 -19.09182964 -27.45396696
0.00001106 0.00040213 -0.00051704
-0.00176887 0.01371705 -0.00635609
13.52053862 -20.26777856 -25.00191103
0.00078158 -0.00006300 -0.00009980
0.00445642 0.00199663 -0.00034079
4.99494973 5.03447374 1.97250101
0.00047318 -0.00077360 -0.00041367
0.00242207 -0.03201289 0.01588619
5.41749677 6.92993529 0.03880513
-0.00016845 -0.00021219 -0.00043717
0.01080614 0.01204128 -0.02686342
20.01403342 -5.58433524 -6.93632042
-0.00058419 0.00156224 -0.00008959
-0.03505813 -0.00835192 -0.00148754
17.05340909 -4.98347224 -6.31403950
0.00001990 -0.00003370 -0.00062210
0.00408721 0.00285156 0.00703875
-2.58829150 -0.71931883 -1.06158246
0.00029364 -0.00026220 -0.00089613
0.00291054 -0.00802080 -0.00565757
-2.28042311 -1.69844637 -3.84923762
-0.00084865 -0.00030854 0.00098615
-0.00342444 -0.00304380 0.02745809
3.95457688 -3.58585129 -12.50233812
-0.00017238 -0.00021209 -0.00036446
-0.01997166 0.02961038 0.01192953
1.13626391 -2.90329429 -11.81549549
0.00021030 -0.00017206 -0.00004721
-0.00330821 0.00372732 0.00026094
19.87270766 8.66799244 -7.80080648
0.00018842 0.00050031 0.00056637
-0.00228390 -0.00556538 -0.01681893
20.96936308 8.07804101 -5.27213925
-0.00033515 -0.00010697 -0.00056705
0.01343990 -0.01242227 0.01437765
-7.19991959 4.01934552 8.78650671
-0.00035015 -0.00071592 -0.00047798
0.01320587 -0.06154681 -0.00349420
-6.87689365 6.35582009 10.18132582
0.00054847 -0.00067120 -0.00088012
-0.00611269 0.00735802 0.00241029
-1.91337052 -17.92609470 11.57254858
0.00080977 -0.00040503 0.00000242
0.00427279 0.00575299 0.00180856
-2.80640661 -15.74311670 9.92613299
0.00025001 -0.00048732 0.00003162
0.00782637 0.00303577 0.00518975
8.56652448 -0.35942655 -3.02902531
0.00059535 0.00041727 0.00020788
-0.02177717 -0.00686806 -0.04010831
7.66882159 1.37792657 -5.27617484
0.00040322 -0.00000063 -0.00036850
-0.00162080 0.01092254 -0.01193800
0.30432216 -11.94684574 1.93345670
-0.00038793 -0.00033331 0.00000201
-0.00096540 0.00319705 -0.00408556
-1.20391060 -10.57752803 -0.22680837
-0.00093128 -0.00028350 0.00031422
0.00257705 -0.01210765 0.00519409
-19.26552399 -1.17769151 6.94639989
0.00070799 0.00092842 0.00043636
-0.01819061 0.01264404 -0.01617547
-21.36428174 0.53911534 5.91851933
0.00022932 0.00002757 -0.00043278
-0.01178783 0.01160505 0.00345560
-5.19764725 8.20803729 -26.74791562
-0.00114110 0.00038290 -0.00078341
-0.01880893 -0.00164615 0.04932902
-5.34016001 7.70349336 -23.80133279
-0.00075501 0.00052126 -0.00010919
0.02083490 -0.00660235 0.02275388
4.10471141 1.84950293 -2.30633724
-0.00048595 0.00075006 0.00054926
0.01909671 -0.00282899 -0.00408802
1.97103096 0.17640535 -1.43252147
-0.00108550 0.00051255 -0.00015624
-0.00384264 0.02583196 -0.00720793
14.95117288 7.68540815 5.92246195
-0.00022758 0.00016347 0.00018495
-0.01009721 -0.00517098 -0.01735229
15.42261139 9.94924869 4.10554080
-0.00051865 0.00084192 -0.00036270
-0.02037418 -0.03607516 -0.00557397
1.59432921 -11.74084570 -13.94319000
0.00021396 0.00010361 -0.00012241
0.00977418 0.00678060 0.00358642
-13.57502745 14.67845278 22.80357823
-0.00004144 0.00013226 0.00013933
-0.00464155 0.00045578 -0.00137291
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02486150
0.33756859
449.79322362
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1326338561
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3468970225 (a.u.)
total exchange computation time: 2.7752909660 s
-154.0961376638
-931.35771123
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1326338561
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3465764393 (a.u.)
total exchange computation time: 2.7743141651 s
-154.0992661523
Anderson extrapolation: theta=1.3509756106 (1.3509756106)
-931.35795054
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1326338561
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3460463767 (a.u.)
total exchange computation time: 2.7745099068 s
-154.1042648460
Anderson extrapolation: theta=0.0542314426 (0.0542314426)
-931.35809445
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1326338561
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3459395484 (a.u.)
total exchange computation time: 2.7740640640 s
-154.1052095008
Anderson extrapolation: theta=1.9694699756 (1.9694699756)
-931.35810022
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1326338561
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3457050256 (a.u.)
total exchange computation time: 2.7755639553 s
-154.1072336365
Anderson extrapolation: theta=0.2235422632 (0.2235422632)
-931.35810655
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1326338561
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3456464389 (a.u.)
total exchange computation time: 2.7731809616 s
-154.1076958538
Anderson extrapolation: theta=1.8281123017 (1.8281123017)
-931.35810778
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1326338561
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3455595152 (a.u.)
total exchange computation time: 2.7733600140 s
-154.1083314717
Anderson extrapolation: theta=0.2785082362 (0.2785082362)
-931.35810926
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1326338561
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3455557806 (a.u.)
total exchange computation time: 2.7740821838 s
-154.1083074885
Anderson extrapolation: theta=1.3039117677 (1.3039117677)
-931.35810960
-22.089413 -126.529640 -244.597257
-137.159833 458.324306 -805.919244
-159.249246 331.794666 -1050.516501
1113.118566
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1326338561
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3455659117 (a.u.)
total exchange computation time: 2.7743878365 s
678.50754607
-1083.24089405
89.80928053
-389.36203659
-174.72643988
78.02258115
551.60419304
0.00000000
-931.35810984
-9.17372250 -5.34836436 9.79646411
0.00004342 0.00014090 0.00014719
-0.00989914 0.02548312 -0.00023883
-13.76991006 5.02350975 8.91839612
0.00007819 0.00003792 -0.00010180
-0.00728079 0.00313407 0.00154136
-15.85949649 1.53340608 2.97315972
-0.00004970 -0.00004364 -0.00005324
-0.00951912 -0.00309306 -0.01232422
2.35579635 -19.67506625 13.39646746
-0.00017587 -0.00021306 0.00028669
-0.03075639 -0.00313399 -0.02999850
9.91159652 20.80318061 0.37364759
0.00048275 -0.00002160 -0.00036754
0.01001433 0.04474848 0.00514804
-11.24327107 12.79114155 15.20706154
-0.00023527 0.00004476 -0.00009329
-0.00795641 0.04882331 -0.01881111
-5.97050926 1.05705016 -12.89306366
0.00010449 -0.00022897 0.00022151
-0.01600181 -0.00476061 0.02137983
-8.88849008 6.74599661 -6.83355115
0.00002236 0.00015795 0.00000987
0.00294027 -0.00675975 -0.02810182
-7.35910808 -3.77583433 18.01771563
0.00033569 -0.00011677 -0.00001084
-0.00686020 0.03697533 0.00583645
-23.50054290 -7.62320159 -23.64463039
-0.00027060 -0.00026465 -0.00038508
-0.02191576 -0.00782653 -0.00144620
8.54837597 13.22985324 6.65366005
0.00032201 0.00051242 0.00010203
0.01067229 -0.01214560 0.05340504
23.05773329 28.76808272 -3.00662247
-0.00032337 -0.00025780 0.00037620
-0.01435692 0.03489668 -0.00816859
9.46353123 0.08598704 -14.67228940
0.00024056 0.00026409 -0.00022535
0.04022111 -0.00809115 -0.00263970
-9.14113992 -1.11246692 12.46120828
-0.00028092 -0.00019952 -0.00023545
-0.01291245 -0.04838321 -0.00595174
-2.15659406 -25.91900255 10.53703867
-0.00011874 -0.00002449 0.00003978
-0.01444269 -0.01325983 0.01403985
-15.28630569 -4.11601616 -7.30895374
-0.00014509 -0.00010135 -0.00022959
-0.00655110 -0.02300268 -0.01954837
-19.42270848 -11.03408095 -18.24263433
0.00010854 -0.00002228 -0.00015505
0.01105386 -0.04748162 0.00025081
21.04982641 5.42118360 4.69570865
-0.00041734 0.00014893 0.00012588
0.02238764 0.00490086 -0.00599568
19.54955517 -11.51883482 -13.26166223
0.00057259 0.00022710 0.00021899
0.03923819 -0.02722021 -0.05472485
-3.25156017 -0.37509205 -6.54239882
-0.00028340 -0.00026239 0.00008205
0.02221690 0.01137811 -0.00643351
-3.68630442 -3.15036549 -17.60320045
0.00033000 -0.00000693 -0.00009123
-0.00373688 -0.00148984 0.01331403
14.27659541 16.40626044 -21.33241129
0.00012895 0.00002663 -0.00017176
-0.00161386 0.02918626 0.01246012
-14.56753448 17.71918501 -13.38152541
0.00006825 0.00029462 -0.00026918
0.00398783 -0.03219579 0.02869835
1.38936262 15.04695409 7.83481958
-0.00007965 -0.00029091 -0.00038267
-0.01770451 0.01700442 0.00673299
-4.34409057 -9.19363450 3.89220242
0.00036780 0.00001822 -0.00025514
0.02107915 -0.01290925 -0.02716600
2.10861902 -5.15735804 2.30183316
0.00005592 0.00001457 -0.00007863
-0.01310333 0.03825941 0.02357569
9.66584454 7.20901920 4.38238773
0.00006878 0.00011630 -0.00010975
0.01238009 -0.02726491 0.03949842
-9.31339237 -10.32120051 -2.58860045
-0.00018475 -0.00017965 0.00025435
0.04221665 -0.02502600 -0.01061304
3.41643137 -15.62225441 -13.12755467
-0.00000352 0.00002152 -0.00011501
0.00383513 0.00843637 -0.00588377
3.84348802 -5.71510372 -3.10254562
0.00024479 -0.00004675 0.00044177
-0.03286844 0.03331530 -0.03288062
18.39259853 1.88381339 24.45275735
-0.00004276 -0.00017063 -0.00014213
-0.01724757 -0.00712302 0.00023021
-8.96129583 2.45847505 1.53779833
-0.00032106 -0.00035898 0.00007261
0.00651960 0.00617155 0.00019118
-5.89136957 12.50148741 -9.76528691
0.00036019 -0.00045423 0.00017442
-0.02036945 -0.00192729 0.01085346
1.61326516 13.31152022 -7.54210515
0.00004267 0.00011215 0.00031937
0.01181429 0.01034423 0.01074313
-11.20105589 10.03115913 -12.51180128
-0.00037346 -0.00010511 -0.00004401
-0.00485871 0.03898042 0.02386906
7.84484849 3.88112977 14.64083445
0.00004675 -0.00033516 0.00010019
-0.02050928 0.01129915 -0.00525042
-15.33296370 9.91864112 -7.72164829
0.00036584 0.00047922 0.00066185
-0.00687770 0.02201781 0.00416951
8.54569130 7.68341847 -3.05158013
-0.00029930 -0.00024785 0.00019531
-0.00634788 0.01414733 -0.00870756
14.15648973 -20.69367625 -26.66607485
-0.00011134 0.00006308 0.00028776
-0.00257393 -0.00182619 0.00137230
5.12651004 6.80017447 1.80076599
0.00007462 -0.00018215 0.00041641
-0.00851732 0.01969250 0.00331133
18.22145124 -5.85090517 -7.47376451
-0.00014230 0.00007520 0.00028897
0.03079905 0.00515039 0.00146229
-1.96268195 -2.17321448 -2.01884328
-0.00007854 -0.00016308 0.00016836
0.00018224 0.00771783 -0.00966897
2.79825035 -2.11728890 -12.02592842
0.00008352 -0.00014156 0.00001660
0.02760412 -0.03334534 -0.00908350
19.74984028 9.14009404 -6.06663685
0.00029437 -0.00044268 0.00020889
-0.01830157 0.01382089 0.00222748
-7.68250333 5.70119493 8.68128965
-0.00017963 0.00003488 -0.00035129
-0.00573659 0.05325131 0.00219023
-1.72477507 -16.11195801 11.36565864
0.00011399 -0.00005441 -0.00010275
-0.00967984 -0.01042867 -0.00322404
7.60899286 -0.35373181 -4.74693698
0.00007187 0.00047113 -0.00012006
0.02724895 0.01022734 0.06973209
-1.04648518 -12.23689680 0.69750902
-0.00006994 -0.00014987 0.00011271
-0.00577280 0.01078229 -0.00333380
-20.01298286 -0.46889825 5.32556613
-0.00017362 0.00047799 0.00009786
0.03083303 -0.02538885 0.01136574
-6.42624528 7.99475076 -25.17003280
0.00029149 0.00021664 -0.00011002
0.01635290 0.00975592 -0.05340190
2.36496032 1.95971086 -1.88213007
-0.00020043 -0.00015179 -0.00012701
-0.01267108 -0.02891813 0.01092998
14.61212559 8.18804782 4.13935761
-0.00025237 -0.00011844 0.00005623
0.03225609 0.04739051 0.01658210
-8.17486217 -6.77570814 10.21167290
0.00069846 -0.00088194 -0.00020520
0.00745196 -0.02281562 -0.00273586
-10.35008024 -5.64188267 8.43011288
-0.00013699 0.00055732 0.00078676
0.00577572 -0.01141915 0.00385122
-13.16273919 5.77298885 7.34342504
-0.00036666 -0.00116231 -0.00069650
0.00030502 -0.00174857 -0.00102931
-13.57915786 3.20717956 8.72577087
0.00106227 -0.00049092 0.00104422
0.00311926 0.00072194 -0.00046473
-14.58304129 1.52824000 4.25161592
0.00083351 -0.00007251 -0.00008153
0.00284338 0.00369721 0.01583729
-17.40704613 0.80090158 3.73458249
-0.00088189 -0.00037778 0.00106498
0.00625498 0.00240127 0.00059489
2.48218537 -21.40599147 12.87955127
-0.00073231 0.00132150 0.00037656
-0.00039288 -0.00850256 -0.01837789
3.29619498 -19.75786493 14.85510834
0.00002686 -0.00039923 -0.00116746
0.02847491 0.01013012 0.04513958
9.20888108 19.20971016 0.02921226
-0.00009585 0.00056589 -0.00038243
-0.01408562 -0.03419540 0.00328542
8.76029620 21.79079842 1.48484744
-0.00025164 -0.00045819 0.00002274
-0.00182334 -0.01567646 -0.01474693
-10.51368017 12.10372215 16.71704147
0.00047292 -0.00027211 0.00034931
0.01018991 -0.00637794 0.02690025
-11.28807310 14.65010953 15.63368702
0.00059190 0.00045823 0.00080313
-0.00135342 -0.03592018 -0.01062539
-6.00198521 0.11596450 -14.46806199
-0.00014025 0.00025378 -0.00026705
-0.00449988 -0.00272186 0.01423696
-7.13517043 0.32317405 -11.46526385
-0.00097876 0.00061474 -0.00066594
0.02374441 0.00322474 -0.03733247
-7.90760165 8.27370558 -6.77944934
0.00075206 -0.00010474 -0.00093016
-0.00174518 -0.00231415 -0.00383330
-9.78530965 6.80236173 -5.28441695
0.00037900 0.00140416 -0.00036830
-0.01244461 0.00297954 0.01836272
-7.65449836 -1.85813049 17.94549137
0.00015125 -0.00065270 -0.00017541
0.01049319 -0.04534920 0.00472348
-7.12794663 -4.23681949 19.82216593
0.00004394 0.00002155 -0.00067914
-0.00738520 0.00204593 -0.01527477
-24.63962333 -6.18656834 -23.55547961
0.00090898 0.00122830 -0.00079576
0.00676621 -0.00079462 -0.00261116
-21.86310023 -6.89879979 -23.80858000
-0.00070256 -0.00024830 -0.00069571
0.01540886 0.01034009 -0.00067080
8.66549504 13.09370469 4.93149746
0.00006240 0.00012157 0.00034683
-0.00021315 0.00445055 -0.06339267
9.65365139 11.82030076 7.27549671
0.00118427 -0.00008114 0.00004602
-0.01518225 0.01569190 0.01068815
24.14164982 27.42730888 -2.58838034
0.00007411 -0.00003506 -0.00018848
0.00565548 -0.02420571 0.00695708
22.72376102 29.73300013 -1.47464977
-0.00095803 -0.00136301 0.00028049
-0.00290455 -0.00032434 -0.00234590
11.15392456 -0.70729239 -14.26776181
0.00083914 0.00077097 0.00072153
-0.03580524 0.02125990 -0.00539901
8.35993981 -1.36310773 -14.64553014
0.00017970 0.00026349 0.00041969
-0.00288361 -0.00986328 0.00746114
-9.68724478 -1.39595739 14.14769615
0.00051051 -0.00019526 -0.00044243
-0.00130365 0.02024658 0.02413638
-9.41123774 -2.96810793 11.97476855
0.00029333 -0.00079631 -0.00011691
0.01373004 0.03195399 -0.01823424
-3.26414221 -26.51649903 11.99555929
0.00006004 -0.00026114 0.00021570
0.02024864 0.00676240 -0.01634985
-3.34224068 -25.65309888 9.18891378
0.00017953 0.00057848 -0.00046072
0.00054913 0.00513426 -0.00806916
-14.90301655 -2.46991065 -6.57908114
-0.00053536 -0.00006748 -0.00098792
0.00476215 0.00762679 0.00473601
-16.08256079 -3.79097606 -8.91552289
-0.00018213 -0.00018409 -0.00062516
-0.00275204 0.00153588 0.00433511
-19.05600287 -9.56478349 -19.12677860
-0.00080550 -0.00014358 0.00064678
0.00288527 0.04996533 -0.01369558
-18.18215950 -12.17255886 -19.05317283
-0.00020653 -0.00056409 0.00025101
-0.01056114 -0.00444746 0.01325740
22.51233915 6.20355104 3.91458217
-0.00024647 0.00113118 0.00071538
0.00408203 -0.01622018 -0.00564055
20.39614676 6.92394754 5.40305579
0.00026738 0.00098707 -0.00029887
-0.02389925 0.01124165 0.01422595
18.57128467 -11.08814438 -11.89464657
0.00062349 -0.00074965 -0.00020827
-0.04201389 0.02093811 0.04428317
18.93175976 -10.66943567 -14.74710272
0.00087758 0.00040755 -0.00022034
-0.00806800 0.00949308 0.00302397
-1.69046358 0.63686817 -6.72017945
0.00003665 -0.00031155 0.00080654
-0.02304527 -0.00356668 -0.00120593
-4.67661866 0.73295423 -6.20143601
0.00073094 0.00104146 -0.00005025
0.01001305 -0.00263646 0.00205395
-3.15236140 -4.45573974 -18.73951134
-0.00082515 0.00074057 -0.00032705
0.00073192 0.00319047 -0.00264960
-3.68708190 -1.55023467 -18.48179535
-0.00001433 0.00053115 -0.00007191
0.00279153 0.00616574 -0.00882025
13.91585826 17.91494333 -20.31130683
0.00076666 0.00096559 -0.00052625
0.01487814 -0.01042386 -0.00441745
12.52163017 15.93187397 -21.57265765
-0.00025926 -0.00026687 0.00077661
-0.00691938 -0.01588090 -0.00766897
-13.94206941 17.08109670 -11.68522926
-0.00012841 -0.00010214 -0.00015125
-0.01094593 0.01690482 -0.03449176
-14.53024344 16.10950626 -14.39361512
0.00064121 0.00122822 0.00047541
0.00200911 0.00758359 0.00638833
1.97798858 15.89137942 6.31539181
-0.00042644 0.00070248 -0.00005408
-0.00401188 -0.00481186 0.00280703
-0.06412744 16.07656709 8.50047799
-0.00098358 0.00144246 -0.00097519
0.02077081 -0.01625622 -0.00849167
-4.58505903 -7.94530164 2.52705915
0.00066173 0.00015007 0.00049457
-0.00854404 -0.01320362 0.01697182
-3.16773416 -10.42303115 3.02474191
-0.00047899 0.00014486 0.00023955
-0.01690900 0.01632167 0.00957558
1.22386980 -3.72774398 3.34869640
0.00059003 0.00051753 -0.00028089
0.03531350 -0.03234517 -0.03800956
3.30278040 -4.39167910 1.07841699
-0.00079938 0.00001818 0.00125829
-0.01899663 -0.00524983 0.01970167
8.18835951 7.64184392 3.54886491
-0.00066243 -0.00045517 -0.00086298
-0.03238615 0.00864795 -0.02898954
11.16000040 7.85264999 3.64964664
-0.00007014 0.00000514 -0.00032247
0.02341017 0.01336260 -0.00948291
-7.80252054 -11.52639682 -2.19667379
-0.00064253 -0.00105172 0.00068460
-0.03920898 0.01883936 -0.01166894
-10.30723026 -9.97350056 -1.14819222
0.00050128 -0.00000831 0.00070052
-0.00986320 0.00677004 0.02024222
5.22847295 -16.14223439 -13.19836097
-0.00034496 -0.00094323 -0.00189102
-0.01437045 -0.00330212 0.01089304
2.49042540 -16.31392870 -11.70307024
-0.00151363 0.00015289 0.00097568
0.01211096 -0.00623861 -0.00454820
4.51282146 -4.68126869 -4.54516879
-0.00092375 0.00030743 0.00002868
0.00287379 -0.02197520 0.02350026
5.15318625 -6.62603526 -2.33455799
-0.00027630 0.00034697 0.00033006
0.03380385 -0.01387289 0.00931363
16.69156465 2.61163067 24.53936638
-0.00017602 -0.00039637 0.00061119
-0.00113028 -0.01224126 -0.00947136
19.31304410 3.16992975 25.33882086
-0.00015601 0.00027414 -0.00090071
0.01674400 0.00814478 0.00400103
-9.57413559 0.74139281 1.36796513
0.00020351 -0.00051927 -0.00045607
-0.00790625 0.00289376 0.00492447
-9.97682545 3.38718152 2.75242887
0.00022685 0.00018496 -0.00012681
-0.00034528 -0.00563788 -0.00666334
-5.02681185 13.68269084 -8.57557148
-0.00011444 0.00041564 -0.00019761
-0.00610021 -0.00534992 -0.00689413
-7.60599878 12.21283061 -9.07105064
0.00024190 -0.00037659 -0.00086037
0.01834504 0.00465175 -0.00775203
1.42817607 11.67642070 -6.71309438
-0.00006946 -0.00018094 -0.00091466
-0.00523678 0.01675836 0.00399713
2.15285952 14.58149353 -6.25086414
0.00083466 0.00008262 -0.00057343
-0.00488597 -0.02873212 -0.01154306
-10.79568383 8.39093214 -13.02515853
-0.00052695 0.00063110 0.00081039
0.00598399 -0.03459487 -0.00088147
-11.72675192 10.03041809 -10.72452000
0.00032984 -0.00030597 0.00018585
0.00264902 -0.00568455 -0.02189857
7.33181436 5.31845660 13.55807333
-0.00146349 0.00022562 0.00060120
0.01253494 -0.01728516 0.01248782
9.63130516 3.71611625 14.54931094
-0.00009468 -0.00066429 0.00023737
0.01199449 0.00736527 -0.00899329
-14.20067221 11.38993537 -7.33517703
-0.00009887 0.00091497 -0.00103157
-0.00336904 -0.01670569 -0.00523139
-16.97203914 10.74215289 -7.97680308
-0.00023161 -0.00026188 -0.00022607
0.01037875 -0.00682547 0.00056378
9.24626083 9.31400661 -2.56998422
-0.00033611 -0.00065270 -0.00142941
0.00162042 -0.00794142 0.00405172
7.65875126 8.18158968 -4.61548657
-0.00067249 0.00096784 -0.00079873
0.00346091 -0.00788074 0.00623882
14.47234334 -19.08537734 -27.46191732
0.00000118 0.00044828 -0.00053722
-0.00306606 0.00887316 -0.00352058
13.53239882 -20.26866243 -25.00341844
0.00079593 -0.00005165 -0.00009192
0.00256989 0.00356314 0.00419600
5.00212170 5.02188884 1.96678273
0.00048384 -0.00089562 -0.00034890
0.00279431 -0.02771751 0.01581997
5.41530120 6.92712144 0.03142434
-0.00012663 -0.00016297 -0.00053240
0.00966363 0.01205333 -0.01975274
20.00419624 -5.56115749 -6.93770990
-0.00072269 0.00152745 -0.00009434
-0.03273512 -0.00868192 -0.00083856
17.05383281 -4.98389030 -6.32315534
0.00003042 -0.00001786 -0.00058770
0.00106426 0.00490020 0.00980297
-2.58379771 -0.72349767 -1.07519780
0.00030169 -0.00028680 -0.00091097
0.00102823 -0.00402117 -0.00160547
-2.29325775 -1.70316773 -3.83360398
-0.00086241 -0.00032093 0.00108963
-0.00331143 -0.00302164 0.02319568
3.95137913 -3.58812532 -12.50743942
-0.00025325 -0.00009157 -0.00031568
-0.01961474 0.02938858 0.01194700
1.13931698 -2.90576092 -11.81619569
0.00019530 -0.00015710 -0.00004583
-0.00403464 0.00359427 0.00041478
19.87546404 8.67532660 -7.79282639
0.00017948 0.00047584 0.00048838
-0.00209246 -0.00641586 -0.02135708
20.96474764 8.07605577 -5.28020442
-0.00027035 -0.00016651 -0.00050101
0.01828087 -0.01672261 0.01794988
-7.20476716 4.00672073 8.77922987
-0.00030026 -0.00095281 -0.00049324
0.01121770 -0.05441343 -0.00397410
-6.86885397 6.34597750 10.16819790
0.00052612 -0.00063871 -0.00086537
-0.00482791 0.00854660 0.00480838
-1.90109309 -17.93199384 11.57264032
0.00082722 -0.00037711 0.00000918
0.00427023 0.00791434 0.00150011
-2.80241665 -15.75033344 9.92676627
0.00027959 -0.00047430 0.00004920
0.00665242 0.00333712 0.00341769
8.57478742 -0.35337792 -3.02713608
0.00050392 0.00038957 0.00004027
-0.02297633 -0.00669181 -0.04193852
7.67482027 1.37825176 -5.28206822
0.00039661 0.00004927 -0.00041813
-0.00161712 0.01350762 -0.01235354
0.29847368 -11.95174743 1.93336169
-0.00038857 -0.00031873 -0.00001243
0.00064935 0.00393824 -0.00298544
-1.21780087 -10.58215158 -0.22193590
-0.00091940 -0.00033193 0.00033491
0.00323862 -0.01159597 0.00493256
-19.25546162 -1.16337775 6.95244961
0.00063069 0.00098115 0.00036699
-0.01964564 0.01316889 -0.01778117
-21.36120322 0.53988454 5.91213352
0.00017153 0.00008229 -0.00041424
-0.01649670 0.01518069 0.00562124
-5.21534010 8.21373037 -26.75815513
-0.00121349 0.00037560 -0.00057993
-0.01662703 -0.00192570 0.05027564
-5.35084675 7.71110999 -23.80227341
-0.00066087 0.00049239 -0.00000865
0.02524723 -0.00753163 0.02645951
4.09800740 1.86066709 -2.29822363
-0.00040067 0.00073596 0.00053135
0.02264618 -0.00407014 -0.00468071
1.95463069 0.18488514 -1.43508593
-0.00109965 0.00061219 -0.00018482
-0.00308349 0.02294403 -0.00678372
14.94744980 7.68770174 5.92470444
-0.00026865 0.00014275 0.00011379
-0.01000818 -0.00496969 -0.01748191
15.41420728 9.96077204 4.09992946
-0.00060418 0.00068731 -0.00038423
-0.02149478 -0.03960967 -0.00496153
1.59756488 -11.73927336 -13.94501653
0.00021750 0.00010603 -0.00012114
0.00996643 0.00675629 0.00353040
-13.57565706 14.68043744 22.80566574
-0.00004249 0.00013237 0.00013902
-0.00444064 0.00050898 -0.00129980
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02481198
0.33329785
444.10268167
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332395890
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3518365815 (a.u.)
total exchange computation time: 2.6005461216 s
-154.1165097683
-931.35388860
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332395890
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3514299387 (a.u.)
total exchange computation time: 2.6023030281 s
-154.1203412365
Anderson extrapolation: theta=1.3437771975 (1.3437771975)
-931.35413737
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332395890
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3507885078 (a.u.)
total exchange computation time: 2.5996170044 s
-154.1262543830
Anderson extrapolation: theta=0.0520407301 (0.0520407301)
-931.35428547
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332395890
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3506787258 (a.u.)
total exchange computation time: 2.5999891758 s
-154.1272307432
Anderson extrapolation: theta=1.9115012482 (1.9115012482)
-931.35429100
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332395890
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3504445818 (a.u.)
total exchange computation time: 2.6017758846 s
-154.1292668713
Anderson extrapolation: theta=0.2167960589 (0.2167960589)
-931.35429668
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332395890
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3503866563 (a.u.)
total exchange computation time: 2.6008098125 s
-154.1297287142
Anderson extrapolation: theta=1.8621283493 (1.8621283493)
-931.35429774
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332395890
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3502975698 (a.u.)
total exchange computation time: 2.5992128849 s
-154.1303894158
Anderson extrapolation: theta=0.2834573562 (0.2834573562)
-931.35429902
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332395890
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3502917267 (a.u.)
total exchange computation time: 2.6018929482 s
-154.1303821093
Anderson extrapolation: theta=1.3111327374 (1.3111327374)
-931.35429932
-22.129979 -126.537217 -244.599246
-137.177750 458.347387 -805.973929
-159.307728 331.810170 -1050.573175
1113.185042
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332395890
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3502986030 (a.u.)
total exchange computation time: 2.6001670361 s
678.58414429
-1083.40119436
89.80366311
-389.25151739
-174.73909658
78.11225939
551.60419304
0.00000000
-931.35429954
-9.17310945 -5.34615263 9.79867103
0.00004034 0.00015212 0.00014835
-0.00205345 0.01817794 0.00474193
-13.76876524 5.02409066 8.91687512
0.00007447 0.00003843 -0.00010100
-0.00718166 -0.00116124 0.00156473
-15.86027866 1.53273950 2.97231362
-0.00005522 -0.00004599 -0.00005797
-0.01195027 -0.00601510 -0.00608038
2.35303965 -19.67827427 13.40065217
-0.00019337 -0.00021161 0.00027007
-0.03728615 0.00879829 -0.03464948
9.91887640 20.80302922 0.36815437
0.00048742 0.00000205 -0.00036429
0.00814318 0.04720087 0.00749562
-11.24683084 12.79200124 15.20558957
-0.00023854 0.00007003 -0.00010135
-0.00475185 0.04943714 -0.01252668
-5.96900366 1.05359731 -12.88965853
0.00009636 -0.00023126 0.00023183
-0.01561176 -0.00415372 0.01873310
-8.88814330 6.74833985 -6.83351142
0.00002455 0.00015469 -0.00000534
0.00555667 -0.00592563 -0.03108021
-7.35409919 -3.77744324 18.01757559
0.00033207 -0.00009813 -0.00000896
-0.00722015 0.03550898 0.00145472
-23.50468649 -7.62720146 -23.65041212
-0.00028289 -0.00026786 -0.00038574
-0.02587601 -0.00466608 -0.00112103
8.55324726 13.23749273 6.65539649
0.00032839 0.00050520 0.00013018
0.01413266 -0.01595414 0.05607910
23.05282732 28.76435032 -3.00101099
-0.00033057 -0.00024045 0.00037118
-0.01363527 0.03257207 -0.01135132
9.46729483 0.08991721 -14.67567985
0.00026174 0.00025977 -0.00022646
0.04213009 -0.00869753 -0.00168360
-9.14540358 -1.11564630 12.45765358
-0.00028729 -0.00022465 -0.00023945
-0.01183990 -0.04936286 -0.00960283
-2.15843086 -25.91942112 10.53768950
-0.00012632 -0.00003122 0.00004656
-0.01501923 -0.01290355 0.01232459
-15.28850726 -4.11762514 -7.31247295
-0.00014888 -0.00011334 -0.00024046
-0.00821638 -0.02362169 -0.02272527
-19.42103775 -11.03459831 -18.24495918
0.00011366 -0.00004804 -0.00015390
0.00886367 -0.05268964 0.00423001
21.04365271 5.42343652 4.69757379
-0.00040558 0.00015260 0.00012289
0.02333027 0.00936745 -0.00565127
19.55829531 -11.51553327 -13.25858843
0.00059333 0.00021313 0.00018932
0.04142670 -0.02713372 -0.06068086
-3.25572548 -0.37898395 -6.54119282
-0.00027175 -0.00025610 0.00007879
0.02310438 0.01305306 -0.00627306
-3.68136886 -3.15047519 -17.60451751
0.00032767 -0.00000573 -0.00008388
-0.00531218 0.00616563 0.01525615
14.27852342 16.40677251 -21.33493963
0.00012758 0.00004204 -0.00016505
-0.00370565 0.03072325 0.01363516
-14.56649534 17.72348010 -13.38545244
0.00007040 0.00027935 -0.00025326
0.00436198 -0.02718025 0.03320440
1.38809959 15.04265603 7.82910545
-0.00009036 -0.00028056 -0.00037884
-0.02396439 0.02323640 0.00816312
-4.33849221 -9.19341093 3.88827050
0.00037792 0.00001175 -0.00026778
0.01827578 -0.01228437 -0.02196693
2.10940733 -5.15699188 2.30074462
0.00004767 0.00003360 -0.00006492
-0.01900640 0.03574598 0.02975753
9.66692396 7.21065852 4.38089383
0.00007317 0.00010286 -0.00009045
0.00468761 -0.02497936 0.03555573
-9.31600083 -10.32399183 -2.58482611
-0.00016302 -0.00019280 0.00024923
0.04231481 -0.02609419 -0.00929238
3.41639343 -15.62189912 -13.12930254
-0.00000326 0.00002503 -0.00011619
-0.00282620 0.00522632 0.00131262
3.84703304 -5.71567653 -3.09604589
0.00022658 -0.00002886 0.00042416
-0.03792788 0.03628038 -0.03561783
18.39189064 1.88122643 24.45062634
-0.00005179 -0.00017434 -0.00014199
-0.01789558 -0.00728509 0.00028499
-8.96608658 2.45311417 1.53888816
-0.00031719 -0.00035588 0.00007238
0.00853066 0.00589648 -0.00107526
-5.88604530 12.49466657 -9.76262878
0.00035023 -0.00045503 0.00017972
-0.01835697 -0.00119187 0.00977164
1.61395074 13.31324244 -7.53727318
0.00004860 0.00011754 0.00032373
0.01124427 0.01060210 0.00623461
-11.20667660 10.02973287 -12.51236943
-0.00037636 -0.00008320 -0.00003097
-0.00640724 0.04620122 0.02684799
7.84547066 3.87614598 14.64231702
0.00003542 -0.00032884 0.00009717
-0.02355893 0.01326431 -0.00649860
-15.32750263 9.92591431 -7.71170442
0.00036143 0.00049030 0.00066365
-0.01026407 0.02106185 0.00283471
8.54117728 7.67975534 -3.04868402
-0.00030419 -0.00024109 0.00018845
-0.01267643 0.01211616 -0.01796739
14.15480964 -20.69273704 -26.66175319
-0.00011187 0.00006301 0.00028649
0.00053241 0.00152439 -0.00628578
5.12759652 6.79751816 1.80702489
0.00007044 -0.00017333 0.00041626
-0.00775783 0.01462856 -0.00390249
18.21943560 -5.84975727 -7.46942436
-0.00012645 0.00007734 0.00028876
0.03082011 0.00316906 -0.00226099
-1.96385931 -2.17563086 -2.01635519
-0.00007791 -0.00016028 0.00016355
0.00226636 0.00316931 -0.00901831
2.79960964 -2.11954092 -12.02571444
0.00009767 -0.00015844 0.00001190
0.02740311 -0.03229115 -0.00920724
19.75418530 9.13350711 -6.06349484
0.00028379 -0.00043429 0.00021012
-0.02285286 0.01880055 0.00253525
-7.68521992 5.70192360 8.67602878
-0.00018223 0.00005965 -0.00035060
-0.00435709 0.04304067 0.00049053
-1.72310249 -16.11281437 11.36410502
0.00010941 -0.00006038 -0.00010383
-0.00815159 -0.01279542 -0.00100287
7.61017601 -0.34662535 -4.74846890
0.00008597 0.00047564 -0.00008396
0.02759118 0.00729840 0.07065295
-1.04755652 -12.23910321 0.69918677
-0.00007346 -0.00014473 0.00011075
-0.00791179 0.00917692 -0.00427399
-20.01546828 -0.46182630 5.32707790
-0.00015637 0.00046404 0.00010354
0.03627787 -0.02884774 0.01072503
-6.42180988 7.99803797 -25.17188906
0.00029837 0.00022177 -0.00013804
0.01040178 0.01021469 -0.05555722
2.36190504 1.95732243 -1.88399306
-0.00020772 -0.00016549 -0.00012147
-0.01570753 -0.02436560 0.01060863
14.60846451 8.18645407 4.14026496
-0.00023560 -0.00009341 0.00006447
0.03295639 0.04992280 0.01548308
-8.16415687 -6.78963632 10.20851104
0.00071767 -0.00095911 -0.00022086
0.00195170 -0.01496269 -0.00492767
-10.35195806 -5.63387285 8.44203222
-0.00011799 0.00050925 0.00079667
0.00352362 -0.01210855 0.00100208
-13.16822971 5.75550065 7.33294599
-0.00036421 -0.00116764 -0.00070186
0.00089240 -0.00086029 -0.00159547
-13.56312827 3.19983783 8.74141996
0.00107356 -0.00048073 0.00104283
0.00240642 0.00426693 -0.00021572
-14.57045155 1.52726558 4.25087823
0.00083764 -0.00005746 -0.00002386
-0.00082259 0.00367031 0.01239290
-17.42008275 0.79530844 3.75057548
-0.00084422 -0.00036203 0.00106141
0.01218370 0.00530794 -0.00234443
2.47118868 -21.38642958 12.88463652
-0.00073314 0.00126237 0.00029308
-0.00001392 -0.02043800 -0.02248482
3.29747050 -19.76354300 14.83897964
0.00015588 -0.00035779 -0.00096492
0.03467890 0.01015493 0.05400539
9.20701172 19.21715069 0.02357655
-0.00015402 0.00042192 -0.00037081
-0.01438981 -0.03628048 0.00240011
8.75646567 21.78344514 1.48473672
-0.00025487 -0.00052287 -0.00004039
0.00024426 -0.01598191 -0.01616038
-10.50627409 12.09944503 16.72310549
0.00050901 -0.00029390 0.00044893
0.00747361 -0.00428539 0.02186329
-11.27923600 14.65588227 15.64540833
0.00058561 0.00030630 0.00075753
-0.00172942 -0.03844844 -0.01169292
-6.00422684 0.11968778 -14.47163151
-0.00015884 0.00024381 -0.00020693
-0.00460130 -0.00215916 0.01519149
-7.14912427 0.33249394 -11.47639693
-0.00088255 0.00062553 -0.00081504
0.02335203 0.00205875 -0.03565315
-7.89637426 8.27206353 -6.79351921
0.00074344 -0.00011614 -0.00094649
-0.00247501 -0.00326277 -0.00416254
-9.78000605 6.82351541 -5.28937879
0.00032429 0.00141631 -0.00028677
-0.01433286 0.00296751 0.02154916
-7.65190813 -1.86931063 17.94300503
0.00019314 -0.00083188 -0.00015620
0.01001215 -0.04235917 0.00467908
-7.12751390 -4.23643357 19.81151079
0.00001484 0.00002723 -0.00073231
-0.00685666 0.00073393 -0.01075403
-24.62578132 -6.16816821 -23.56749596
0.00093738 0.00121900 -0.00080600
0.00713578 -0.00375515 -0.00240395
-21.87316640 -6.90220739 -23.81903614
-0.00063226 -0.00020645 -0.00069910
0.01900215 0.01014580 -0.00099045
8.66642446 13.09566457 4.93475736
0.00006112 0.00013946 0.00008577
-0.00041335 0.00430977 -0.06439914
9.67095027 11.81956446 7.27651447
0.00111562 -0.00000959 0.00008666
-0.01842440 0.01933259 0.00920882
24.14293479 27.42604124 -2.59099436
0.00009699 -0.00013360 -0.00016011
0.00554168 -0.02403162 0.00693174
22.70930154 29.71254508 -1.47051433
-0.00097084 -0.00135993 0.00027729
-0.00336337 0.00182835 0.00077873
11.16541454 -0.69507633 -14.25710432
0.00068768 0.00085839 0.00069772
-0.03833732 0.02153180 -0.00625527
8.36254693 -1.35945761 -14.63900614
0.00016956 0.00022358 0.00045019
-0.00207996 -0.00967193 0.00746745
-9.67962714 -1.39826587 14.14179925
0.00050289 -0.00011352 -0.00033741
-0.00242521 0.01976603 0.02727416
-9.40641713 -2.97907335 11.97245620
0.00034917 -0.00066232 -0.00019064
0.01360877 0.03363206 -0.01785701
-3.26262107 -26.52020892 11.99829383
0.00014171 -0.00023311 0.00014700
0.01972593 0.00695874 -0.01728104
-3.33953091 -25.64426433 9.18175574
0.00018374 0.00059839 -0.00048895
0.00150972 0.00461311 -0.00574957
-14.91090105 -2.47068908 -6.59375488
-0.00051456 -0.00003270 -0.00096579
0.00542035 0.00939385 0.00609819
-16.08537700 -3.79369034 -8.92476740
-0.00019122 -0.00017924 -0.00060291
-0.00170144 0.00083583 0.00655396
-19.06799691 -9.56540617 -19.11749651
-0.00079028 0.00006891 0.00058439
0.00456572 0.05405441 -0.01684554
-18.18558108 -12.18115653 -19.04900138
-0.00024865 -0.00058017 0.00030347
-0.01005511 -0.00342438 0.01242030
22.50876718 6.22002178 3.92514008
-0.00023127 0.00106078 0.00069259
0.00335739 -0.01824517 -0.00551845
20.39942510 6.93909803 5.39900866
0.00016924 0.00102767 -0.00024182
-0.02413954 0.00863588 0.01369962
18.57934961 -11.09874750 -11.89641372
0.00044593 -0.00066186 -0.00002055
-0.04490375 0.02203441 0.04761164
18.94467626 -10.66303159 -14.75031516
0.00084582 0.00044401 -0.00020282
-0.00748141 0.00835607 0.00555436
-1.69061995 0.63208559 -6.70811824
-0.00005750 -0.00032827 0.00080126
-0.02304497 -0.00461686 -0.00137891
-4.66534771 0.74849538 -6.20212682
0.00076976 0.00102940 -0.00004164
0.00898983 -0.00326628 0.00215909
-3.16471629 -4.44453340 -18.74449827
-0.00081859 0.00074446 -0.00034561
0.00248158 -0.00128505 -0.00643584
-3.68721136 -1.54207843 -18.48314426
-0.00000304 0.00055022 -0.00010420
0.00273587 0.00316681 -0.00698581
13.92781411 17.92910770 -20.31933592
0.00082705 0.00091747 -0.00054778
0.01467985 -0.01312805 -0.00612018
12.51752921 15.92738425 -21.56124344
-0.00028319 -0.00032931 0.00074667
-0.00479335 -0.01468136 -0.00698870
-13.94433091 17.08008269 -11.68855502
-0.00017330 -0.00003163 -0.00029220
-0.01103256 0.01760695 -0.03450118
-14.52056366 16.12816190 -14.38628825
0.00064859 0.00124793 0.00049237
0.00159924 0.00206413 0.00191549
1.97146903 15.90176915 6.31466656
-0.00044094 0.00068065 -0.00004294
-0.00308729 -0.00587370 0.00264986
-0.07824472 16.09770577 8.48558987
-0.00088797 0.00136552 -0.00101196
0.02603378 -0.02140199 -0.00950568
-4.57539487 -7.94345511 2.53499774
0.00062611 0.00010080 0.00055817
-0.00889279 -0.01091666 0.01416369
-3.17543710 -10.42035813 3.02862859
-0.00054188 0.00020567 0.00027410
-0.01387763 0.01344388 0.00733793
1.23380240 -3.72097219 3.34331833
0.00073207 0.00038402 -0.00043439
0.03421739 -0.03300835 -0.03713228
3.29020756 -4.39156728 1.09789502
-0.00086308 0.00000331 0.00132441
-0.01218270 -0.00202840 0.01266430
8.17743066 7.63528143 3.53503193
-0.00077940 -0.00042482 -0.00097313
-0.02487274 0.00620559 -0.02492975
11.15966566 7.85313649 3.64451898
0.00002535 0.00005963 -0.00036146
0.02333281 0.01331246 -0.00960108
-7.81335993 -11.54159529 -2.18676238
-0.00080244 -0.00097286 0.00063467
-0.03907177 0.01976191 -0.01277251
-10.30001327 -9.97341776 -1.13706409
0.00046032 0.00001971 0.00078147
-0.01018934 0.00694623 0.01938148
5.22285825 -16.15648408 -13.22639244
-0.00040351 -0.00095725 -0.00184301
-0.01429238 -0.00355801 0.01260736
2.46809201 -16.31182654 -11.68857438
-0.00145076 0.00013471 0.00093941
0.01866459 -0.00265855 -0.01320602
4.49905331 -4.67733067 -4.54401847
-0.00091026 0.00021648 0.00012651
0.00372934 -0.02254546 0.02438603
5.15007762 -6.62125584 -2.32932174
-0.00012971 0.00028569 0.00037170
0.03795127 -0.01612285 0.01107054
16.68888966 2.60530998 24.54824396
-0.00018046 -0.00044682 0.00057187
-0.00104134 -0.01245383 -0.00977364
19.31121709 3.17429137 25.32543283
-0.00008658 0.00030820 -0.00088378
0.01723972 0.00853069 0.00428473
-9.57132527 0.73369242 1.36127495
0.00016976 -0.00050617 -0.00043467
-0.00861126 0.00352064 0.00555074
-9.97343327 3.38978320 2.75032260
0.00022303 0.00016158 -0.00015235
-0.00152693 -0.00580913 -0.00584280
-5.02871539 13.68876148 -8.57874689
-0.00013990 0.00039242 -0.00022582
-0.00636203 -0.00601814 -0.00691375
-7.60180814 12.20732427 -9.08419377
0.00031321 -0.00035782 -0.00088949
0.01656382 0.00453789 -0.00650225
1.42697371 11.67422007 -6.72669177
-0.00009066 -0.00011492 -0.00089435
-0.00514118 0.01556282 0.00594486
2.16522974 14.58185244 -6.25981933
0.00081551 -0.00003304 -0.00061542
-0.00449004 -0.02788461 -0.00901090
-10.80340472 8.39933861 -13.01302965
-0.00049833 0.00047320 0.00080023
0.00802602 -0.04269805 -0.00409331
-11.72172314 10.02565433 -10.72240335
0.00033993 -0.00032751 0.00009668
0.00229078 -0.00485940 -0.02174872
7.31024606 5.32131121 13.56747403
-0.00140709 0.00014964 0.00065549
0.01507598 -0.01990699 0.01408643
9.63025247 3.70637760 14.55259586
-0.00004461 -0.00063226 0.00019920
0.01251527 0.00831222 -0.00968971
-14.20225849 11.40314795 -7.35081086
-0.00011028 0.00084954 -0.00105076
-0.00221616 -0.01532196 -0.00416094
-16.97519532 10.73801548 -7.98017681
-0.00018499 -0.00029119 -0.00022258
0.01244560 -0.00752068 0.00114241
9.24126878 9.30397272 -2.59130124
-0.00032344 -0.00067402 -0.00140668
0.00458450 -0.00249555 0.00707779
7.64876995 8.19586576 -4.62727637
-0.00065170 0.00092923 -0.00076043
0.00671554 -0.01101729 0.01251152
14.47226716 -19.07838125 -27.47008344
-0.00001400 0.00047453 -0.00054562
-0.00436829 0.00397624 -0.00059119
13.54441651 -20.26932794 -25.00466870
0.00080265 -0.00003387 -0.00006538
0.00071932 0.00514047 0.00879735
5.00946492 5.00760523 1.96203399
0.00049619 -0.00099808 -0.00028470
0.00325151 -0.02243822 0.01560893
5.41369787 6.92504629 0.02283298
-0.00008955 -0.00011401 -0.00059770
0.00848494 0.01191040 -0.01221007
19.99235285 -5.53851183 -6.93915077
-0.00084991 0.00149168 -0.00009602
-0.02954258 -0.00882589 0.00001753
17.05432175 -4.98400804 -6.33167039
0.00002861 0.00000620 -0.00054231
-0.00195052 0.00687702 0.01241375
-2.57924090 -0.72792294 -1.08891154
0.00030190 -0.00029441 -0.00090896
-0.00092524 0.00029988 0.00258993
-2.30629534 -1.70807427 -3.81654878
-0.00087596 -0.00033303 0.00117425
-0.00332347 -0.00290359 0.01822520
3.94697926 -3.58859825 -12.51180853
-0.00033163 0.00002668 -0.00026729
-0.01875247 0.02849433 0.01174090
1.14212278 -2.90800727 -11.81687047
0.00017753 -0.00014263 -0.00004382
-0.00466199 0.00349074 0.00057032
19.87809218 8.68226756 -7.78615518
0.00017130 0.00044829 0.00039336
-0.00191142 -0.00706935 -0.02515382
20.96125257 8.07304566 -5.28716951
-0.00018685 -0.00024276 -0.00042132
0.02259341 -0.02059913 0.02106060
-7.20892725 3.99076115 8.77170948
-0.00025929 -0.00115670 -0.00051038
0.00883486 -0.04538937 -0.00441553
-6.86111017 6.33665870 10.15536467
0.00050907 -0.00060167 -0.00084103
-0.00351690 0.00958575 0.00710942
-1.88855395 -17.93740794 11.57282401
0.00084454 -0.00034089 0.00001474
0.00420948 0.00981526 0.00122018
-2.79801898 -15.75734567 9.92760900
0.00030407 -0.00045999 0.00005917
0.00533427 0.00366818 0.00146269
8.58164223 -0.34773940 -3.02781711
0.00040862 0.00036269 -0.00013304
-0.02367461 -0.00646594 -0.04290016
7.68071985 1.37940479 -5.28871870
0.00039004 0.00010867 -0.00046913
-0.00159696 0.01556640 -0.01261122
0.29266500 -11.95640777 1.93308371
-0.00038256 -0.00030116 -0.00002226
0.00229335 0.00466538 -0.00182489
-1.23149266 -10.58748580 -0.21676114
-0.00090495 -0.00037778 0.00035424
0.00383569 -0.01085095 0.00453089
-19.24660326 -1.14825692 6.95740960
0.00054806 0.00103546 0.00029210
-0.02080095 0.01341466 -0.01887821
-21.35913572 0.54158411 5.90609220
0.00009573 0.00015070 -0.00038751
-0.02061007 0.01830570 0.00746381
-5.23405196 8.21930544 -26.76531345
-0.00127622 0.00036731 -0.00037413
-0.01407931 -0.00213568 0.05046330
-5.35998618 7.71826503 -23.80159243
-0.00055079 0.00046030 0.00010473
0.02864023 -0.00817589 0.02904488
4.09269128 1.87158180 -2.29039688
-0.00030271 0.00071691 0.00051154
0.02530796 -0.00525552 -0.00501514
1.93804144 0.19477109 -1.43806614
-0.00111106 0.00069856 -0.00021129
-0.00250116 0.01933446 -0.00616986
14.94311335 7.68969077 5.92587553
-0.00030917 0.00012267 0.00004303
-0.00982507 -0.00486266 -0.01715523
15.40448584 9.96986786 4.09401404
-0.00069329 0.00052028 -0.00040320
-0.02212084 -0.04214841 -0.00432691
1.60085406 -11.73766475 -13.94682412
0.00022110 0.00010844 -0.00011988
0.01016603 0.00672368 0.00347940
-13.57630213 14.68242387 22.80774873
-0.00004350 0.00013249 0.00013872
-0.00423406 0.00054801 -0.00123711
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02482425
0.32947529
439.00930561
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1337587885
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3567688887 (a.u.)
total exchange computation time: 2.8072950840 s
-154.1358323523
-931.35121062
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1337587885
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3562740092 (a.u.)
total exchange computation time: 2.8090040684 s
-154.1403489438
Anderson extrapolation: theta=1.3575262000 (1.3575262000)
-931.35147665
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1337587885
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3555043658 (a.u.)
total exchange computation time: 2.8057739735 s
-154.1472293751
Anderson extrapolation: theta=0.0596272826 (0.0596272826)
-931.35164040
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1337587885
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3553809050 (a.u.)
total exchange computation time: 2.8063449860 s
-154.1482888336
Anderson extrapolation: theta=2.1898072324 (2.0000000000)
-931.35164862
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1337587885
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3551119230 (a.u.)
total exchange computation time: 2.8089530468 s
-154.1505327022
Anderson extrapolation: theta=0.3580603270 (0.3580603270)
-931.35165925
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1337587885
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3550178401 (a.u.)
total exchange computation time: 2.8066310883 s
-154.1512499420
Anderson extrapolation: theta=1.3577251234 (1.3577251234)
-931.35166219
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1337587885
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3549181746 (a.u.)
total exchange computation time: 2.8069009781 s
-154.1519232276
Anderson extrapolation: theta=0.4509868166 (0.4509868166)
-931.35166497
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1337587885
ExchangeOperator: bisection time: 1.156 s
total exchange = -52.3549035457 (a.u.)
total exchange computation time: 2.8063700199 s
-154.1519242162
Anderson extrapolation: theta=0.9204706713 (0.9204706713)
-931.35166586
-22.178931 -126.547134 -244.603538
-137.195761 458.367286 -806.029025
-159.374692 331.820152 -1050.632563
1113.253650
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1337587885
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3549138165 (a.u.)
total exchange computation time: 2.8067371845 s
678.65484263
-1083.55107953
89.79811351
-389.14771297
-174.75091611
78.19723430
551.60419304
0.00000000
-931.35166629
-9.17251224 -5.34380067 9.80091454
0.00004131 0.00015960 0.00015203
0.00582313 0.01090345 0.00956584
-13.76767583 5.02466260 8.91536619
0.00007083 0.00003676 -0.00010019
-0.00698304 -0.00532612 0.00157078
-15.86115302 1.53202650 2.97142062
-0.00006179 -0.00004974 -0.00005953
-0.01360996 -0.00858880 0.00000677
2.34999530 -19.68141442 13.40456956
-0.00021387 -0.00020399 0.00025168
-0.04244570 0.02081834 -0.03686609
9.92621910 20.80324197 0.36271897
0.00049102 0.00002650 -0.00035998
0.00587149 0.04789017 0.00925876
-11.25042727 12.79324232 15.20402097
-0.00024008 0.00009532 -0.00010613
-0.00123577 0.04893369 -0.00603727
-5.96761851 1.05011240 -12.88610887
0.00008851 -0.00023316 0.00024072
-0.01489850 -0.00323289 0.01585351
-8.88775364 6.75063737 -6.83371147
0.00002790 0.00015187 -0.00002183
0.00746664 -0.00503121 -0.03304420
-7.34914601 -3.77877821 18.01744677
0.00032830 -0.00008048 -0.00000943
-0.00742799 0.03314239 -0.00327403
-23.50902971 -7.63123733 -23.65620251
-0.00029698 -0.00026938 -0.00038625
-0.02891739 -0.00124121 -0.00085789
8.55822757 13.24500913 6.65756557
0.00033646 0.00049612 0.00015889
0.01727394 -0.01934300 0.05555501
23.04781616 28.76086921 -2.99548707
-0.00033722 -0.00022447 0.00036456
-0.01222903 0.02957553 -0.01438825
9.47138344 0.09378028 -14.67908328
0.00028361 0.00025517 -0.00022713
0.04290007 -0.00920543 -0.00092357
-9.14975858 -1.11920650 12.45402479
-0.00029314 -0.00025015 -0.00024510
-0.01090394 -0.04980195 -0.01238405
-2.16038353 -25.91993923 10.53843540
-0.00013413 -0.00003771 0.00005232
-0.01535358 -0.01230775 0.01008072
-15.29077222 -4.11941635 -7.31616749
-0.00015348 -0.00012556 -0.00025286
-0.00965458 -0.02391849 -0.02550328
-19.41929864 -11.03552216 -18.24725140
0.00011772 -0.00007591 -0.00015097
0.00690464 -0.05569620 0.00718538
21.03765900 5.42576171 4.69939533
-0.00039344 0.00015869 0.00012016
0.02389049 0.01429160 -0.00495219
19.56735505 -11.51244105 -13.25598276
0.00061474 0.00019939 0.00015725
0.04181918 -0.02626331 -0.06400867
-3.25971254 -0.38277514 -6.54003521
-0.00025975 -0.00024903 0.00007562
0.02353593 0.01444068 -0.00605388
-3.67647429 -3.15053731 -17.60571688
0.00032456 -0.00000059 -0.00007554
-0.00677245 0.01383080 0.01718661
14.28042283 16.40752161 -21.33736277
0.00012526 0.00005810 -0.00015777
-0.00532059 0.03173971 0.01466216
-14.56542255 17.72756550 -13.38912332
0.00007264 0.00026686 -0.00023517
0.00436277 -0.02140724 0.03716319
1.38665169 15.03853723 7.82345430
-0.00010406 -0.00026717 -0.00037440
-0.02928743 0.02883101 0.00913054
-4.33275285 -9.19328213 3.88416912
0.00038651 0.00000558 -0.00027752
0.01511472 -0.01171204 -0.01592360
2.11004901 -5.15634994 2.29988565
0.00003630 0.00005103 -0.00004798
-0.02518049 0.03202577 0.03611909
9.66803954 7.21210514 4.37967423
0.00007363 0.00009072 -0.00007342
-0.00287909 -0.02223882 0.03068658
-9.31828284 -10.32698446 -2.58112346
-0.00014151 -0.00020633 0.00024496
0.04131394 -0.02654272 -0.00732283
3.41633369 -15.62150350 -13.13104028
-0.00000628 0.00002704 -0.00011390
-0.00892738 0.00259420 0.00758273
3.85028546 -5.71596944 -3.08982094
0.00020606 -0.00000977 0.00040548
-0.04185732 0.03793447 -0.03700610
18.39104470 1.87858327 24.44849753
-0.00006105 -0.00017805 -0.00014176
-0.01809825 -0.00715096 0.00061774
-8.97081151 2.44779878 1.53996970
-0.00031227 -0.00035294 0.00007148
0.01058658 0.00550243 -0.00242369
-5.88086266 12.48783653 -9.75989526
0.00034142 -0.00045546 0.00018440
-0.01590238 -0.00046840 0.00842122
1.61472306 13.31504645 -7.53239312
0.00005418 0.00012299 0.00032568
0.01047864 0.01059029 0.00131895
-11.21234675 10.02866304 -12.51273045
-0.00037992 -0.00005797 -0.00001668
-0.00741051 0.05190225 0.02872661
7.84591108 3.87126452 14.64374945
0.00002271 -0.00032166 0.00009361
-0.02586220 0.01465270 -0.00734689
-15.32212074 9.93334998 -7.70173869
0.00035533 0.00050079 0.00066478
-0.01345455 0.01974784 0.00153398
8.53656545 7.67618568 -3.04592652
-0.00031223 -0.00023547 0.00017709
-0.01855531 0.00973744 -0.02622768
14.15313366 -20.69178607 -26.65748003
-0.00011083 0.00006464 0.00028132
0.00349580 0.00484079 -0.01383748
5.12862316 6.79497471 1.81325368
0.00006663 -0.00016724 0.00041240
-0.00703557 0.00903654 -0.01110392
18.21765773 -5.84858492 -7.46510165
-0.00011083 0.00007845 0.00028666
0.02991626 0.00112242 -0.00591514
-1.96501919 -2.17802278 -2.01393668
-0.00007616 -0.00015988 0.00015923
0.00452324 -0.00161928 -0.00777992
2.80118033 -2.12204205 -12.02557149
0.00011155 -0.00017463 0.00000720
0.02657469 -0.03066220 -0.00906181
19.75835402 9.12706523 -6.06033327
0.00027108 -0.00042356 0.00021142
-0.02656002 0.02295399 0.00252927
-7.68797014 5.70298431 8.67077169
-0.00018405 0.00007892 -0.00035075
-0.00274667 0.03189186 -0.00109409
-1.72149280 -16.11376944 11.36254367
0.00010564 -0.00006750 -0.00010375
-0.00648927 -0.01487194 0.00130560
7.61157202 -0.33946259 -4.74945574
0.00010014 0.00047879 -0.00004761
0.02749372 0.00494383 0.07067829
-1.04868890 -12.24123883 0.70083155
-0.00007806 -0.00014048 0.00010834
-0.00998119 0.00735382 -0.00509830
-20.01767383 -0.45497691 5.32867241
-0.00013658 0.00044854 0.00010888
0.04066396 -0.03144239 0.01001953
-6.41729422 8.00140399 -25.17417393
0.00030238 0.00022702 -0.00016663
0.00520882 0.01020249 -0.05562378
2.35872858 1.95474603 -1.88577420
-0.00021627 -0.00017671 -0.00011621
-0.01750642 -0.01923145 0.00984303
14.60505768 8.18524547 4.14129175
-0.00021860 -0.00006728 0.00007205
0.03315625 0.05168823 0.01397844
-8.15333196 -6.80448152 10.20504719
0.00071457 -0.00100429 -0.00024514
-0.00346943 -0.00715322 -0.00695747
-10.35361994 -5.62660512 8.45401297
-0.00010834 0.00045843 0.00079488
0.00119768 -0.01276758 -0.00187895
-13.17366554 5.73795972 7.32236916
-0.00035952 -0.00116947 -0.00070931
0.00140429 -0.00003745 -0.00204983
-13.54695119 3.19275759 8.75705583
0.00108182 -0.00045621 0.00104229
0.00163901 0.00773656 -0.00004877
-14.55791223 1.52651610 4.25090005
0.00082657 -0.00004252 0.00001952
-0.00459477 0.00364569 0.00884072
-17.43237267 0.79004061 3.76642480
-0.00078382 -0.00033508 0.00104631
0.01738284 0.00788620 -0.00504745
2.46019113 -21.36812026 12.88834377
-0.00073244 0.00115447 0.00019294
0.00035544 -0.03238168 -0.02653477
3.30087135 -19.76859872 14.82616072
0.00030730 -0.00031640 -0.00073134
0.03944053 0.01010813 0.06033201
9.20426046 19.22236772 0.01808793
-0.00021204 0.00027247 -0.00036221
-0.01401225 -0.03687422 0.00181204
8.75265010 21.77511239 1.48363559
-0.00025018 -0.00058809 -0.00010861
0.00205289 -0.01594715 -0.01723142
-10.49840998 12.09490527 16.73050942
0.00053351 -0.00030674 0.00052715
0.00452242 -0.00200373 0.01642731
-11.27050489 14.65929865 15.65641304
0.00057766 0.00014616 0.00070794
-0.00215880 -0.03994321 -0.01258390
-6.00675047 0.12327873 -14.47427000
-0.00017774 0.00023588 -0.00014348
-0.00465062 -0.00171958 0.01586959
-7.16164695 0.34194000 -11.48971505
-0.00078878 0.00063128 -0.00095619
0.02254757 0.00075365 -0.03344317
-7.88529855 8.27022153 -6.80784418
0.00073189 -0.00013132 -0.00096418
-0.00317860 -0.00416939 -0.00449647
-9.77558085 6.84485095 -5.29301997
0.00026332 0.00142851 -0.00019452
-0.01551368 0.00300728 0.02360871
-7.64870430 -1.88308679 17.94080544
0.00023266 -0.00099658 -0.00013733
0.00933654 -0.03826390 0.00455851
-7.12750139 -4.23600268 19.80019657
-0.00001192 0.00002728 -0.00076616
-0.00624185 -0.00070626 -0.00581247
-24.61150198 -6.14999822 -23.57965964
0.00096685 0.00119779 -0.00081525
0.00728897 -0.00663001 -0.00212564
-21.88206800 -6.90499320 -23.82955298
-0.00054885 -0.00016609 -0.00070368
0.02182889 0.00960859 -0.00125209
8.66732855 13.09788858 4.93407049
0.00005875 0.00015715 -0.00017308
-0.00074309 0.00435007 -0.06230864
9.68711998 11.82001297 7.27809661
0.00103467 0.00007555 0.00012156
-0.02120244 0.02234650 0.00787239
24.14455939 27.42330078 -2.59318356
0.00011801 -0.00022983 -0.00013228
0.00474878 -0.02307386 0.00668931
22.69463593 29.69220209 -1.46633116
-0.00098560 -0.00134817 0.00028696
-0.00386256 0.00392971 0.00395399
11.17455497 -0.68154066 -14.24683019
0.00052783 0.00094601 0.00067080
-0.03991161 0.02136008 -0.00692322
8.36502658 -1.35640025 -14.63202450
0.00016309 0.00018507 0.00048069
-0.00108701 -0.00917845 0.00746248
-9.67215813 -1.39936297 14.13757389
0.00049125 -0.00003380 -0.00022133
-0.00327192 0.01925863 0.02954839
-9.40076249 -2.98797759 11.96904945
0.00040417 -0.00052275 -0.00026269
0.01331094 0.03468687 -0.01741270
-3.25989101 -26.52349235 11.99996929
0.00022053 -0.00020459 0.00007532
0.01885895 0.00700068 -0.01780851
-3.33672861 -25.63514706 9.17424534
0.00019201 0.00061603 -0.00050745
0.00254012 0.00401793 -0.00330605
-14.91845336 -2.47089180 -6.60805489
-0.00049131 0.00000843 -0.00093850
0.00596005 0.01074390 0.00726101
-16.08829749 -3.79635339 -8.93361023
-0.00019627 -0.00017718 -0.00057208
-0.00076913 0.00017435 0.00853832
-19.07971115 -9.56271606 -19.10924682
-0.00076920 0.00029373 0.00051165
0.00575008 0.05599509 -0.01876247
-18.18961889 -12.18996407 -19.04406874
-0.00028816 -0.00059233 0.00035205
-0.00928726 -0.00252387 0.01136214
22.50540097 6.23537433 3.93535978
-0.00021895 0.00098247 0.00067029
0.00267552 -0.02008691 -0.00539491
20.40122402 6.95477777 5.39580112
0.00007090 0.00105636 -0.00018767
-0.02400013 0.00540568 0.01280865
18.58466258 -11.10800022 -11.89526293
0.00026035 -0.00057134 0.00017545
-0.04594064 0.02227608 0.04832954
18.95713425 -10.65611540 -14.75318720
0.00081639 0.00047588 -0.00017520
-0.00692270 0.00724401 0.00796318
-1.69218866 0.62702007 -6.69614154
-0.00015047 -0.00034867 0.00079513
-0.02246320 -0.00536823 -0.00162130
-4.65352581 0.76383635 -6.20268530
0.00080420 0.00101482 -0.00003261
0.00786739 -0.00387357 0.00226038
-3.17691909 -4.43340581 -18.74987963
-0.00080524 0.00073016 -0.00037968
0.00405530 -0.00571907 -0.01023989
-3.68717316 -1.53372812 -18.48492130
0.00000805 0.00055689 -0.00012889
0.00269573 0.00010028 -0.00509957
13.94066964 17.94246749 -20.32774010
0.00088628 0.00085919 -0.00057552
0.01431669 -0.01539978 -0.00746140
12.51313448 15.92199476 -21.55025754
-0.00029797 -0.00038683 0.00071966
-0.00244046 -0.01347637 -0.00623379
-13.94726855 17.08014773 -11.69399522
-0.00021791 0.00004110 -0.00043133
-0.01080311 0.01799428 -0.03360513
-14.51078587 16.14694404 -14.37884399
0.00065443 0.00124414 0.00049044
0.00126241 -0.00391818 -0.00286164
1.96476028 15.91179890 6.31410370
-0.00045164 0.00065458 -0.00003254
-0.00215074 -0.00688540 0.00244100
-0.09076648 16.11753281 8.47011919
-0.00077287 0.00126883 -0.00105187
0.03030614 -0.02592900 -0.01003046
-4.56627572 -7.94227763 2.54380438
0.00058855 0.00006235 0.00060903
-0.00949121 -0.00790513 0.01072865
-3.18399055 -10.41686118 3.03296498
-0.00059143 0.00025363 0.00029878
-0.01037902 0.01003481 0.00474348
1.24583204 -3.71622336 3.33566456
0.00086840 0.00024930 -0.00058296
0.03251537 -0.03293691 -0.03559245
3.27688809 -4.39157977 1.11814919
-0.00089723 0.00000262 0.00136012
-0.00453408 0.00169079 0.00481886
8.16497746 7.62909925 3.51967109
-0.00086410 -0.00040473 -0.00106562
-0.01658549 0.00363171 -0.02034464
11.16076090 7.85443887 3.63880291
0.00011872 0.00011308 -0.00039996
0.02237108 0.01285416 -0.00924731
-7.82659389 -11.55558263 -2.17763375
-0.00096052 -0.00089110 0.00058068
-0.03830669 0.02026019 -0.01365529
-10.29342075 -9.97290925 -1.12474815
0.00041912 0.00004803 0.00085718
-0.00997457 0.00691523 0.01767895
5.21636762 -16.17095182 -13.25365125
-0.00046148 -0.00097224 -0.00178825
-0.01408599 -0.00378333 0.01419712
2.44690251 -16.30988732 -11.67488785
-0.00136258 0.00012998 0.00086989
0.02450132 0.00034280 -0.02082631
4.48551371 -4.67477437 -4.54137362
-0.00089295 0.00012415 0.00022667
0.00474331 -0.02264778 0.02464274
5.14929487 -6.61746453 -2.32340702
0.00003100 0.00021707 0.00041905
0.04071804 -0.01746858 0.01210739
16.68615085 2.59822604 24.55652255
-0.00018468 -0.00049790 0.00053144
-0.00102288 -0.01254849 -0.01001710
19.31044664 3.17917581 25.31230739
-0.00001599 0.00034301 -0.00086631
0.01731800 0.00850915 0.00426770
-9.56904271 0.72620780 1.35492497
0.00013321 -0.00049050 -0.00041079
-0.00928233 0.00414634 0.00613759
-9.97013466 3.39202885 2.74785826
0.00021424 0.00013781 -0.00017433
-0.00277202 -0.00582735 -0.00491299
-5.03100883 13.69446330 -8.58234602
-0.00016615 0.00036675 -0.00025386
-0.00648895 -0.00654351 -0.00681044
-7.59660238 12.20209605 -9.09773540
0.00037613 -0.00033977 -0.00091322
0.01423593 0.00429733 -0.00511285
1.42545626 11.67297324 -6.73992483
-0.00011157 -0.00005439 -0.00086609
-0.00509669 0.01406474 0.00788838
2.17732478 14.58050242 -6.26932677
0.00079849 -0.00014402 -0.00064624
-0.00384137 -0.02644204 -0.00607493
-10.81063372 8.40512827 -13.00115163
-0.00046212 0.00028539 0.00077798
0.00969848 -0.04924060 -0.00679810
-11.71655396 10.02059277 -10.72161960
0.00034818 -0.00034561 0.00000951
0.00174866 -0.00399820 -0.02092209
7.28960171 5.32294580 13.57773805
-0.00134085 0.00006416 0.00071533
0.01734791 -0.02193669 0.01520412
9.62996679 3.69714837 14.55528693
0.00000655 -0.00059639 0.00015836
0.01253041 0.00924693 -0.01030168
-14.20398059 11.41542150 -7.36669970
-0.00011672 0.00079020 -0.00106559
-0.00093836 -0.01372307 -0.00309956
-16.97758876 10.73341717 -7.98348053
-0.00013065 -0.00032293 -0.00021681
0.01415503 -0.00801766 0.00168231
9.23655770 9.29378588 -2.61218449
-0.00029858 -0.00067288 -0.00137190
0.00758410 0.00305745 0.00994307
7.63920021 8.20946664 -4.63829939
-0.00061867 0.00087837 -0.00069829
0.00945137 -0.01388231 0.01790438
14.47192326 -19.07114146 -27.47828579
-0.00003437 0.00048080 -0.00054205
-0.00560019 -0.00090654 0.00233572
13.55647829 -20.26967840 -25.00537979
0.00080204 -0.00000974 -0.00002029
-0.00101585 0.00666910 0.01327153
5.01700742 4.99194647 1.95824186
0.00051050 -0.00107760 -0.00022155
0.00375383 -0.01648753 0.01530304
5.41261455 6.92370108 0.01349331
-0.00005726 -0.00006590 -0.00063203
0.00732128 0.01164318 -0.00459585
19.97869891 -5.51640708 -6.94059056
-0.00096239 0.00145575 -0.00009380
-0.02551526 -0.00876187 0.00106872
17.05469116 -4.98370432 -6.33942465
0.00001472 0.00003803 -0.00048676
-0.00485088 0.00870309 0.01477786
-2.57474080 -0.73232984 -1.10246655
0.00029408 -0.00028402 -0.00088960
-0.00290346 0.00478599 0.00688540
-2.31953661 -1.71315876 -3.79837661
-0.00088988 -0.00034443 0.00123723
-0.00348953 -0.00267695 0.01260423
3.94143014 -3.58732486 -12.51545808
-0.00040546 0.00013991 -0.00022021
-0.01738769 0.02693015 0.01130584
1.14464286 -2.91003969 -11.81751030
0.00015743 -0.00012850 -0.00004117
-0.00517756 0.00342607 0.00072548
19.88060317 8.68877526 -7.78102556
0.00016384 0.00041851 0.00028476
-0.00174247 -0.00750591 -0.02800934
20.95914216 8.06877311 -5.29284387
-0.00008731 -0.00033351 -0.00033019
0.02613336 -0.02382576 0.02354597
-7.21254588 3.97201982 8.76391847
-0.00022843 -0.00132125 -0.00052915
0.00626994 -0.03516248 -0.00477171
-6.85358192 6.32792737 10.14296714
0.00049731 -0.00056076 -0.00080768
-0.00223984 0.01044017 0.00921483
-1.87575682 -17.94222050 11.57308247
0.00086150 -0.00029754 0.00001922
0.00409235 0.01140427 0.00097523
-2.79329440 -15.76413309 9.92854138
0.00032298 -0.00044429 0.00006090
0.00391893 0.00401478 -0.00061453
8.58704611 -0.34249716 -3.03112732
0.00031146 0.00033683 -0.00030859
-0.02388598 -0.00619602 -0.04303354
7.68652155 1.38151182 -5.29614208
0.00038357 0.00017521 -0.00052080
-0.00157196 0.01700713 -0.01268465
0.28699687 -11.96078218 1.93269390
-0.00036988 -0.00028066 -0.00002731
0.00391571 0.00537075 -0.00064627
-1.24494937 -10.59348503 -0.21130869
-0.00088822 -0.00042011 0.00037165
0.00435439 -0.00986737 0.00399211
-19.23901970 -1.13231395 6.96121261
0.00046134 0.00109023 0.00021375
-0.02164856 0.01339609 -0.01947470
-21.35833134 0.54440557 5.90050831
0.00000484 0.00023058 -0.00035411
-0.02387967 0.02079494 0.00888188
-5.25362668 8.22474961 -26.76937905
-0.00132773 0.00035834 -0.00016930
-0.01113319 -0.00225518 0.04980222
-5.36737036 7.72491901 -23.79913140
-0.00042926 0.00042625 0.00022588
0.03084951 -0.00849118 0.03025770
4.08892619 1.88217442 -2.28287750
-0.00019601 0.00069311 0.00049094
0.02691959 -0.00639354 -0.00506945
1.92129890 0.20584198 -1.44142448
-0.00112049 0.00076881 -0.00023487
-0.00211697 0.01505247 -0.00537520
14.93817476 7.69138178 5.92599525
-0.00034876 0.00010283 -0.00002550
-0.00955495 -0.00484894 -0.01638957
15.39340870 9.97638057 4.08783344
-0.00078401 0.00034483 -0.00041956
-0.02228974 -0.04373830 -0.00368033
1.60419782 -11.73602004 -13.94861302
0.00022477 0.00011084 -0.00011865
0.01036982 0.00668805 0.00343423
-13.57696194 14.68441221 22.80982740
-0.00004446 0.00013262 0.00013844
-0.00403975 0.00056703 -0.00118679
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02504020
0.32662609
435.21289527
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1337587885
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3608449768 (a.u.)
total exchange computation time: 2.8099060059 s
-154.1539214364
-931.34969718
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1337587885
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3603164788 (a.u.)
total exchange computation time: 2.8077430725 s
-154.1588284394
Anderson extrapolation: theta=1.3501214852 (1.3501214852)
-931.34996980
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1337587885
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3595284316 (a.u.)
total exchange computation time: 2.8067951202 s
-154.1660934217
Anderson extrapolation: theta=0.0577809485 (0.0577809485)
-931.35013537
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1337587885
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3594261152 (a.u.)
total exchange computation time: 2.8095951080 s
-154.1670712088
Anderson extrapolation: theta=2.1417326480 (2.0000000000)
-931.35014316
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1337587885
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3592136468 (a.u.)
total exchange computation time: 2.8085889816 s
-154.1690989500
Anderson extrapolation: theta=0.3254376132 (0.3254376132)
-931.35015285
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1337587885
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3591559381 (a.u.)
total exchange computation time: 2.8077077866 s
-154.1696529191
Anderson extrapolation: theta=1.4370589637 (1.4370589637)
-931.35015533
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1337587885
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3591047275 (a.u.)
total exchange computation time: 2.8104410172 s
-154.1701570581
Anderson extrapolation: theta=0.3976245055 (0.3976245055)
-931.35015780
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1337587885
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3591151861 (a.u.)
total exchange computation time: 2.8073971272 s
-154.1700789715
Anderson extrapolation: theta=0.9761038948 (0.9761038948)
-931.35015856
-22.226736 -126.560054 -244.608499
-137.213276 458.383973 -806.084291
-159.440012 331.823919 -1050.692790
1113.320964
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1337587885
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3591474398 (a.u.)
total exchange computation time: 2.8065400124 s
678.72267952
-1083.68879420
89.79129639
-389.05397776
-174.76221553
78.27338771
551.60419304
0.00000000
-931.35015901
-9.17187011 -5.34136459 9.80323184
0.00004625 0.00016339 0.00015809
0.01339835 0.00383284 0.01401373
-13.76664029 5.02519345 8.91386939
0.00006733 0.00003301 -0.00009940
-0.00662791 -0.00924407 0.00150881
-15.86213238 1.53124725 2.97052767
-0.00006903 -0.00005473 -0.00005804
-0.01453878 -0.01079730 0.00581000
2.34662349 -19.68439397 13.40820254
-0.00023650 -0.00019036 0.00023290
-0.04555034 0.03217278 -0.03615741
9.93360710 20.80382418 0.35735501
0.00049335 0.00005079 -0.00035492
0.00316955 0.04656823 0.01039635
-11.25403323 12.79486091 15.20240580
-0.00023976 0.00012004 -0.00010756
0.00246301 0.04719784 0.00046251
-5.96634830 1.04660256 -12.88243692
0.00008115 -0.00023450 0.00024805
-0.01373121 -0.00197837 0.01265902
-8.88730639 6.75289608 -6.83416644
0.00003207 0.00014944 -0.00003907
0.00877286 -0.00443351 -0.03396666
-7.34425014 -3.77985749 18.01729270
0.00032448 -0.00006434 -0.00001239
-0.00743355 0.02961235 -0.00822036
-23.51359601 -7.63528277 -23.66199951
-0.00031233 -0.00026906 -0.00038664
-0.03077596 0.00245834 -0.00068809
8.56334115 13.25237631 6.66016324
0.00034605 0.00048543 0.00018649
0.01999398 -0.02222431 0.05175928
23.04271066 28.75761626 -2.99007416
-0.00034298 -0.00021020 0.00035646
-0.01014502 0.02589397 -0.01711593
9.47580302 0.09757233 -14.68249383
0.00030553 0.00025034 -0.00022746
0.04237012 -0.00956715 -0.00036398
-9.15419771 -1.12315090 12.45030046
-0.00029853 -0.00027568 -0.00025192
-0.01008423 -0.04947583 -0.01413810
-2.16245464 -25.92055229 10.53925907
-0.00014201 -0.00004381 0.00005679
-0.01530723 -0.01141851 0.00731691
-15.29311167 -4.12139208 -7.32005878
-0.00015874 -0.00013782 -0.00026654
-0.01079327 -0.02372099 -0.02769190
-19.41750626 -11.03687568 -18.24948819
0.00012082 -0.00010463 -0.00014681
0.00516655 -0.05596297 0.00897905
21.03184959 5.42819716 4.70117866
-0.00038112 0.00016737 0.00011788
0.02399727 0.01946285 -0.00394152
19.57673741 -11.50955144 -13.25387090
0.00063580 0.00018633 0.00012428
0.04010222 -0.02455555 -0.06420471
-3.26351803 -0.38645493 -6.53892431
-0.00024769 -0.00024134 0.00007258
0.02338569 0.01546355 -0.00574256
-3.67163196 -3.15049274 -17.60678366
0.00032076 0.00000840 -0.00006627
-0.00801177 0.02112094 0.01885795
14.28228120 16.40851557 -21.33967281
0.00012203 0.00007450 -0.00015010
-0.00723208 0.03202795 0.01516475
-14.56431611 17.73148575 -13.39250749
0.00007479 0.00025752 -0.00021525
0.00399361 -0.01490003 0.04030950
1.38497784 15.03464085 7.81787359
-0.00012023 -0.00025110 -0.00036956
-0.03359652 0.03367110 0.00967770
-4.32689689 -9.19324368 3.87994489
0.00039335 -0.00000020 -0.00028399
0.01149264 -0.01073862 -0.00923665
2.11049643 -5.15546094 2.29930532
0.00002177 0.00006620 -0.00002781
-0.03133915 0.02695643 0.04230620
9.66913292 7.21338019 4.37869137
0.00007034 0.00008010 -0.00005910
-0.00990565 -0.01906498 0.02496424
-9.32024614 -10.33018185 -2.57747730
-0.00012084 -0.00021990 0.00024186
0.03907501 -0.02622490 -0.00472401
3.41620508 -15.62108788 -13.13271953
-0.00001226 0.00002784 -0.00010864
-0.01434583 0.00049567 0.01286626
3.85321497 -5.71596970 -3.08388148
0.00018392 0.00000974 0.00038651
-0.04425510 0.03795967 -0.03676062
18.39005913 1.87588494 24.44637349
-0.00007027 -0.00018160 -0.00014130
-0.01775121 -0.00666034 0.00117586
-8.97545478 2.44252584 1.54103253
-0.00030631 -0.00035025 0.00006987
0.01261259 0.00497460 -0.00382073
-5.87580269 12.48100288 -9.75709677
0.00033399 -0.00045552 0.00018831
-0.01299569 0.00023152 0.00680056
1.61557622 13.31693216 -7.52750288
0.00005931 0.00012835 0.00032499
0.00945330 0.01023301 -0.00399023
-11.21807406 10.02799362 -12.51286986
-0.00038381 -0.00003039 -0.00000178
-0.00773814 0.05535472 0.02922041
7.84615199 3.86649610 14.64512521
0.00000905 -0.00031394 0.00008972
-0.02725005 0.01539450 -0.00777250
-15.31684265 9.94093800 -7.69176112
0.00034767 0.00051048 0.00066523
-0.01633266 0.01795356 0.00024596
8.53181048 7.67269114 -3.04337136
-0.00032312 -0.00023113 0.00016177
-0.02380162 0.00715437 -0.03332312
14.15148464 -20.69079775 -26.65331363
-0.00010834 0.00006791 0.00027238
0.00619499 0.00787011 -0.02090385
5.12959552 6.79250096 1.81939680
0.00006320 -0.00016412 0.00040491
-0.00631742 0.00309745 -0.01801575
18.21611065 -5.84740391 -7.46082457
-0.00009597 0.00007849 0.00028272
0.02788462 -0.00094677 -0.00939948
-1.96614417 -2.18042720 -2.01157818
-0.00007323 -0.00016196 0.00015571
0.00688737 -0.00648622 -0.00590816
2.80295604 -2.12477974 -12.02549845
0.00012480 -0.00018979 0.00000266
0.02497080 -0.02828869 -0.00860168
19.76231784 9.12080042 -6.05715220
0.00025677 -0.00041098 0.00021264
-0.02911457 0.02595715 0.00221063
-7.69074154 5.70429105 8.66550616
-0.00018502 0.00009232 -0.00035167
-0.00099382 0.02024195 -0.00248228
-1.71993317 -16.11483925 11.36099239
0.00010277 -0.00007557 -0.00010248
-0.00470253 -0.01654117 0.00363530
7.61318013 -0.33226169 -4.74989733
0.00011412 0.00048089 -0.00001158
0.02686758 0.00321695 0.06944028
-1.04989828 -12.24331772 0.70243700
-0.00008368 -0.00013724 0.00010555
-0.01187394 0.00526620 -0.00576159
-20.01956566 -0.44837008 5.33034423
-0.00011491 0.00043199 0.00011383
0.04359984 -0.03290781 0.00925127
-6.41273838 8.00484871 -25.17688792
0.00030390 0.00023213 -0.00019458
0.00068805 0.00963912 -0.05305838
2.35541707 1.95202127 -1.88747941
-0.00022536 -0.00018511 -0.00011147
-0.01787547 -0.01345944 0.00859793
14.60190663 8.18443562 4.14242638
-0.00020166 -0.00004051 0.00007873
0.03270361 0.05243069 0.01201260
-8.14271967 -6.81976511 10.20115694
0.00068990 -0.00101823 -0.00027721
-0.00860866 0.00032990 -0.00874259
-10.35520841 -5.62011987 8.46587857
-0.00010817 0.00040506 0.00078148
-0.00111287 -0.01336022 -0.00468045
-13.17901531 5.72041650 7.31166670
-0.00035292 -0.00116811 -0.00071832
0.00182775 0.00070526 -0.00235866
-13.53067367 3.18615150 8.77268870
0.00108687 -0.00041788 0.00104226
0.00083395 0.01102568 0.00003411
-14.54565450 1.52599004 4.25146368
0.00080017 -0.00002769 0.00004840
-0.00832897 0.00361450 0.00530016
-17.44359727 0.78525610 3.78196477
-0.00070373 -0.00029830 0.00102070
0.02182150 0.01011699 -0.00748894
2.44921537 -21.35179548 12.89042480
-0.00073028 0.00099922 0.00007688
0.00070154 -0.04361581 -0.03028034
3.30668936 -19.77303494 14.81703932
0.00047415 -0.00027531 -0.00047845
0.04223826 0.01000313 0.06346054
9.20065044 19.22532488 0.01271037
-0.00026698 0.00012370 -0.00035536
-0.01288143 -0.03594879 0.00153808
8.74896035 21.76580230 1.48147842
-0.00023861 -0.00065251 -0.00018049
0.00360790 -0.01558311 -0.01795544
-10.49026870 12.09024271 16.73892011
0.00054572 -0.00031012 0.00058284
0.00145502 0.00035180 0.01083348
-11.26190609 14.66026707 15.66664652
0.00056790 -0.00001793 0.00065512
-0.00262264 -0.04038179 -0.01327227
-6.00955911 0.12676430 -14.47593591
-0.00019675 0.00022946 -0.00007791
-0.00465143 -0.00142272 0.01622836
-7.17278778 0.35143225 -11.50508278
-0.00069925 0.00063139 -0.00108719
0.02128053 -0.00069730 -0.03067974
-7.87441764 8.26812399 -6.82244473
0.00071761 -0.00015004 -0.00098308
-0.00380787 -0.00499713 -0.00475095
-9.77210643 6.86637080 -5.29521427
0.00019867 0.00144079 -0.00009594
-0.01613079 0.00300333 0.02464694
-7.64492827 -1.89920801 17.93888523
0.00026899 -0.00114216 -0.00011911
0.00844427 -0.03300016 0.00435676
-7.12787141 -4.23561507 19.78852612
-0.00003613 0.00002119 -0.00077904
-0.00561156 -0.00227736 -0.00049601
-24.59677593 -6.13223456 -23.59195359
0.00099662 0.00116510 -0.00082335
0.00728463 -0.00937016 -0.00183957
-21.88963179 -6.90719013 -23.84014656
-0.00045570 -0.00012873 -0.00070921
0.02376856 0.00867776 -0.00145258
8.66818710 13.10037918 4.92956495
0.00005485 0.00017543 -0.00041734
-0.00116887 0.00459780 -0.05725775
9.70199028 11.82183102 7.28016121
0.00094337 0.00017170 0.00015129
-0.02348884 0.02471764 0.00668044
24.14647502 27.41914622 -2.59496280
0.00013448 -0.00032065 -0.00010584
0.00331445 -0.02138279 0.00625589
22.67973359 29.67209994 -1.46190566
-0.00100241 -0.00132809 0.00030943
-0.00436934 0.00589826 0.00704675
11.18124937 -0.66669592 -14.23698036
0.00036362 0.00103205 0.00064163
-0.04046723 0.02075645 -0.00735529
8.36743961 -1.35390540 -14.62458550
0.00016104 0.00014917 0.00051111
0.00008592 -0.00839490 0.00743110
-9.66488964 -1.39927978 14.13515943
0.00047677 0.00004384 -0.00009806
-0.00381558 0.01874497 0.03079222
-9.39429208 -2.99475600 11.96457555
0.00045759 -0.00038021 -0.00033278
0.01283771 0.03509026 -0.01689532
-3.25600515 -26.52634672 12.00055333
0.00029510 -0.00017624 0.00000236
0.01764096 0.00687829 -0.01790420
-3.33377064 -25.62578354 9.16653233
0.00020452 0.00063110 -0.00051583
0.00358582 0.00336078 -0.00079795
-14.92564040 -2.47043606 -6.62190989
-0.00046613 0.00005407 -0.00090691
0.00636482 0.01159524 0.00820321
-16.09126511 -3.79900575 -8.94192979
-0.00019780 -0.00017772 -0.00053376
0.00002207 -0.00043978 0.01022175
-19.09107298 -9.55659422 -19.10214701
-0.00074434 0.00052144 0.00043389
0.00642241 0.05546876 -0.01930265
-18.19422588 -12.19892629 -19.03843975
-0.00032398 -0.00060111 0.00039587
-0.00824536 -0.00177405 0.01008656
22.50219873 6.24949584 3.94524884
-0.00020925 0.00089709 0.00064848
0.00206950 -0.02170831 -0.00528098
20.40155206 6.97078881 5.39337858
-0.00002619 0.00107085 -0.00013776
-0.02352771 0.00168779 0.01162434
18.58716002 -11.11588772 -11.89115021
0.00007462 -0.00048153 0.00036875
-0.04497594 0.02168784 0.04629196
18.96916797 -10.64875525 -14.75557121
0.00078917 0.00050330 -0.00013812
-0.00640379 0.00618132 0.01018778
-1.69513405 0.62162555 -6.68426420
-0.00023983 -0.00037151 0.00078789
-0.02127821 -0.00581186 -0.00192476
-4.64122174 0.77893993 -6.20310525
0.00083386 0.00099781 -0.00002319
0.00665361 -0.00445407 0.00235503
-3.18887336 -4.42262872 -18.75588855
-0.00078580 0.00069850 -0.00042870
0.00545644 -0.00977604 -0.01375595
-3.68696975 -1.52537165 -18.48701087
0.00001902 0.00055118 -0.00014589
0.00267280 -0.00289544 -0.00322337
13.95440258 17.95488349 -20.33660156
0.00094358 0.00079238 -0.00060820
0.01373086 -0.01730352 -0.00853485
12.50859019 15.91577935 -21.53965369
-0.00030246 -0.00043873 0.00069572
0.00024140 -0.01192809 -0.00548509
-13.95086827 17.08131558 -11.70149495
-0.00026092 0.00011472 -0.00056488
-0.01025013 0.01804286 -0.03177028
-14.50093071 16.16548605 -14.37157511
0.00065908 0.00121528 0.00046858
0.00101445 -0.01020928 -0.00783759
1.95791971 15.92140667 6.31369044
-0.00045847 0.00062452 -0.00002310
-0.00119226 -0.00782878 0.00217818
-0.10143090 16.13577076 8.45403377
-0.00064228 0.00115495 -0.00109301
0.03361769 -0.02981589 -0.01010874
-4.55773824 -7.94158462 2.55326853
0.00054896 0.00003622 0.00064576
-0.00989126 -0.00488400 0.00725067
-3.19318010 -10.41274924 3.03759208
-0.00062577 0.00028650 0.00031221
-0.00642829 0.00605457 0.00182886
1.25985443 -3.71349311 3.32582946
0.00099647 0.00011658 -0.00072375
0.03017750 -0.03203271 -0.03332455
3.26329073 -4.39148864 1.13869870
-0.00089870 0.00001797 0.00136246
0.00381174 0.00582406 -0.00367428
8.15150780 7.62313965 3.50306340
-0.00091435 -0.00039511 -0.00113881
-0.00801530 0.00107557 -0.01548372
11.16322717 7.85652903 3.63252011
0.00020637 0.00016384 -0.00043605
0.02053475 0.01198873 -0.00841957
-7.84217551 -11.56832830 -2.16934200
-0.00111418 -0.00080824 0.00052357
-0.03690978 0.02030289 -0.01429952
-10.28743953 -9.97197694 -1.11134873
0.00037981 0.00007587 0.00092434
-0.00926836 0.00671214 0.01519891
5.20901371 -16.18565142 -13.28003998
-0.00051839 -0.00098809 -0.00172727
-0.01376826 -0.00397517 0.01565359
2.42721459 -16.30792709 -11.66247770
-0.00125219 0.00013631 0.00077155
0.02953547 0.00275593 -0.02730932
4.47226482 -4.67360607 -4.53721851
-0.00087117 0.00003244 0.00032647
0.00591613 -0.02224592 0.02421419
5.15100757 -6.61474381 -2.31675029
0.00019977 0.00014508 0.00046889
0.04189576 -0.01776762 0.01229175
16.68334936 2.59037306 24.56418723
-0.00018898 -0.00054910 0.00049014
-0.00108176 -0.01251532 -0.01019905
19.31073754 3.18458174 25.29944350
0.00005405 0.00037686 -0.00084952
0.01696367 0.00805845 0.00395173
-9.56732903 0.71897730 1.34895113
0.00009398 -0.00047237 -0.00038462
-0.00992130 0.00473286 0.00667683
-9.96700594 3.39391737 2.74509281
0.00020030 0.00011423 -0.00019234
-0.00405497 -0.00571537 -0.00390305
-5.03369996 13.69976408 -8.58636254
-0.00019264 0.00033927 -0.00028119
-0.00647620 -0.00691025 -0.00657172
-7.59052414 12.19713120 -9.11159038
0.00042848 -0.00032294 -0.00093103
0.01138651 0.00394098 -0.00360686
1.42362646 11.67258837 -6.75267443
-0.00013239 -0.00000052 -0.00082997
-0.00509450 0.01230326 0.00979436
2.18918440 14.57753186 -6.27920652
0.00078467 -0.00024788 -0.00066428
-0.00292166 -0.02440014 -0.00275550
-10.81726833 8.40790017 -12.98969025
-0.00042014 0.00007519 0.00074603
0.01085149 -0.05365055 -0.00884346
-11.71127761 10.01528617 -10.72211808
0.00035386 -0.00036013 -0.00007288
0.00102953 -0.00310977 -0.01940732
7.27002055 5.32323597 13.58893386
-0.00126598 -0.00002831 0.00077872
0.01930071 -0.02332490 0.01582479
9.63044905 3.68848586 14.55734665
0.00005671 -0.00055673 0.00011522
0.01202087 0.01016907 -0.01081715
-14.20576020 11.42685402 -7.38277849
-0.00011776 0.00073776 -0.00107616
0.00043178 -0.01194597 -0.00207359
-16.97911469 10.72832747 -7.98668114
-0.00007014 -0.00035628 -0.00020894
0.01546267 -0.00830508 0.00216864
9.23231142 9.28378642 -2.63245837
-0.00026160 -0.00064930 -0.00132590
0.01051582 0.00848207 0.01257554
7.63020971 8.22221672 -4.64822512
-0.00057556 0.00081643 -0.00061599
0.01165534 -0.01643601 0.02238318
14.47123615 -19.06395724 -27.48634500
-0.00005966 0.00046804 -0.00052677
-0.00678018 -0.00534149 0.00514300
13.56847781 -20.26962014 -25.00527753
0.00079473 0.00002044 0.00004234
-0.00256297 0.00810450 0.01739022
5.02477997 4.97527726 1.95538760
0.00052688 -0.00113202 -0.00015978
0.00426451 -0.01015332 0.01493364
5.41197993 6.92306944 0.00387198
-0.00002962 -0.00001908 -0.00063569
0.00621013 0.01127432 0.00280620
19.96348123 -5.49483930 -6.94196486
-0.00105674 0.00142058 -0.00008692
-0.02067026 -0.00845639 0.00230008
17.05476327 -4.98286723 -6.34627323
-0.00001057 0.00007684 -0.00042227
-0.00752953 0.01029702 0.01679326
-2.57041864 -0.73644343 -1.11559958
0.00027831 -0.00025534 -0.00085284
-0.00481547 0.00924999 0.01110737
-2.33299174 -1.71840731 -3.77943199
-0.00090481 -0.00035470 0.00127604
-0.00381932 -0.00234713 0.00639399
3.93481538 -3.58440103 -12.51841474
-0.00047263 0.00024530 -0.00017541
-0.01549082 0.02466215 0.01062220
1.14684563 -2.91186213 -11.81810567
0.00013549 -0.00011454 -0.00003790
-0.00556389 0.00340388 0.00087736
19.88300738 8.69482295 -7.77761252
0.00015703 0.00038744 0.00016681
-0.00159239 -0.00770628 -0.02972554
20.95863336 8.06304037 -5.29707519
0.00002456 -0.00043561 -0.00023054
0.02862522 -0.02615465 0.02523305
-7.21578024 3.95112353 8.75583502
-0.00020807 -0.00144284 -0.00054913
0.00369753 -0.02435405 -0.00500761
-6.84619093 6.31983588 10.13113436
0.00049056 -0.00051682 -0.00076633
-0.00106185 0.01107023 0.01102261
-1.86270890 -17.94633414 11.57340070
0.00087788 -0.00024845 0.00002280
0.00392311 0.01262690 0.00077372
-2.78832965 -15.77067447 9.92943609
0.00033600 -0.00042719 0.00005404
0.00245726 0.00435612 -0.00274292
8.59098611 -0.33763464 -3.03707490
0.00021451 0.00031214 -0.00048290
-0.02357474 -0.00588790 -0.04229053
7.69222692 1.38466115 -5.30434284
0.00037719 0.00024619 -0.00057233
-0.00155013 0.01773523 -0.01253675
0.28156872 -11.96482744 1.93226447
-0.00035068 -0.00025736 -0.00002759
0.00547935 0.00603493 0.00050988
-1.25813922 -10.60008900 -0.20561159
-0.00086952 -0.00045795 0.00038657
0.00479731 -0.00865852 0.00330871
-19.23276291 -1.11554999 6.96382210
0.00037186 0.00114439 0.00013401
-0.02215514 0.01311316 -0.01955642
-21.35899044 0.54850147 5.89546876
-0.00009716 0.00031894 -0.00031598
-0.02605190 0.02245827 0.00978316
-5.27388371 8.23005558 -26.77039247
-0.00136627 0.00034911 0.00003080
-0.00773588 -0.00226294 0.04814889
-5.37286390 7.73105259 -23.79481600
-0.00030139 0.00039165 0.00034872
0.03174020 -0.00844533 0.02987460
4.08681090 1.89237520 -2.27566880
-0.00008515 0.00066474 0.00047071
0.02734995 -0.00749383 -0.00483079
1.90442662 0.21783537 -1.44511224
-0.00112878 0.00082030 -0.00025486
-0.00193822 0.01015157 -0.00441129
14.93265059 7.69277562 5.92511050
-0.00038706 0.00008286 -0.00009000
-0.00919594 -0.00492349 -0.01518327
15.38096551 9.98021272 4.08142729
-0.00087452 0.00016484 -0.00043327
-0.02201499 -0.04436815 -0.00302981
1.60759726 -11.73433943 -13.95038348
0.00022852 0.00011323 -0.00011742
0.01057497 0.00664038 0.00339549
-13.57763581 14.68640253 22.81190195
-0.00004536 0.00013276 0.00013817
-0.00372690 0.00062979 -0.00114053
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02501207
0.32514694
433.24199562
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1337587885
ExchangeOperator: bisection time: 1.158 s
total exchange = -52.3647097529 (a.u.)
total exchange computation time: 2.7280180454 s
-154.1670806802
-931.34953713
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1337587885
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3641259347 (a.u.)
total exchange computation time: 2.7281658649 s
-154.1725154531
Anderson extrapolation: theta=1.3454307723 (1.3454307723)
-931.34981393
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1337587885
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3632583437 (a.u.)
total exchange computation time: 2.7279031277 s
-154.1805406090
Anderson extrapolation: theta=0.0553456813 (0.0553456813)
-931.34998054
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1337587885
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3631465648 (a.u.)
total exchange computation time: 2.7283298969 s
-154.1816079349
Anderson extrapolation: theta=2.0215117761 (2.0000000000)
-931.34998762
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1337587885
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3629105225 (a.u.)
total exchange computation time: 2.7279598713 s
-154.1838516648
Anderson extrapolation: theta=0.2452468279 (0.2452468279)
-931.34999567
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1337587885
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3628568142 (a.u.)
total exchange computation time: 2.7280881405 s
-154.1843563651
Anderson extrapolation: theta=1.7567114738 (1.7567114738)
-931.34999736
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1337587885
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3627888338 (a.u.)
total exchange computation time: 2.7302219868 s
-154.1849913454
Anderson extrapolation: theta=0.2952710212 (0.2952710212)
-931.34999933
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1337587885
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3627940193 (a.u.)
total exchange computation time: 2.7280349731 s
-154.1849422405
Anderson extrapolation: theta=1.2393108588 (1.2393108588)
-931.34999981
-22.272323 -126.576341 -244.615583
-137.229752 458.397444 -806.139530
-159.502075 331.821103 -1050.755113
1113.387832
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1337587885
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3628178567 (a.u.)
total exchange computation time: 2.6484730244 s
678.78229387
-1083.80743184
89.78456131
-388.97425190
-174.77235373
78.33809092
551.60419304
0.00000000
-931.35000015
-9.17112461 -5.33889894 9.80565725
0.00005494 0.00016367 0.00016630
0.02038132 -0.00276398 0.01789884
-13.76565589 5.02565299 8.91238422
0.00006404 0.00002735 -0.00009866
-0.00615777 -0.01279159 0.00136379
-15.86322390 1.53038470 2.96967954
-0.00007660 -0.00006075 -0.00005367
-0.01489770 -0.01260858 0.01117258
2.34290028 -19.68712530 13.41155658
-0.00026013 -0.00017128 0.00021523
-0.04632723 0.04201761 -0.03254144
9.94101955 20.80476565 0.35207125
0.00049418 0.00007395 -0.00034945
0.00004960 0.04349958 0.01090701
-11.25762020 12.79684362 15.20079419
-0.00023754 0.00014361 -0.00010573
0.00619700 0.04444297 0.00666731
-5.96518401 1.04307746 -12.87866730
0.00007450 -0.00023511 0.00025368
-0.01212556 -0.00038737 0.00922441
-8.88679145 6.75512058 -6.83488346
0.00003671 0.00014733 -0.00005646
0.00924046 -0.00376852 -0.03367969
-7.33941161 -3.78070833 18.01707520
0.00032072 -0.00005031 -0.00001791
-0.00717016 0.02495477 -0.01327815
-23.51839974 -7.63930925 -23.66780182
-0.00032827 -0.00026676 -0.00038702
-0.03118683 0.00648870 -0.00078664
8.56860898 13.25957204 6.66316022
0.00035691 0.00047339 0.00021144
0.02225351 -0.02458891 0.04526238
23.03752688 28.75456307 -2.98479329
-0.00034752 -0.00019794 0.00034706
-0.00753846 0.02179658 -0.01944399
9.48054947 0.10129057 -14.68590720
0.00032689 0.00024537 -0.00022756
0.04065800 -0.00978252 -0.00001606
-9.15871462 -1.12747700 12.44646707
-0.00030355 -0.00030088 -0.00025936
-0.00943640 -0.04849053 -0.01477763
-2.16464385 -25.92125344 10.54013919
-0.00014977 -0.00004939 0.00005974
-0.01486757 -0.01027899 0.00412426
-15.29553438 -4.12355081 -7.32416370
-0.00016450 -0.00014984 -0.00028119
-0.01160932 -0.02303474 -0.02925929
-19.41567402 -11.03866095 -18.25165571
0.00012308 -0.00013277 -0.00014204
0.00360883 -0.05349822 0.00958957
21.02622532 5.43078276 4.70293159
-0.00036885 0.00017872 0.00011617
0.02372401 0.02467916 -0.00270789
19.58642915 -11.50685127 -13.25225436
0.00065549 0.00017430 0.00009195
0.03646027 -0.02220162 -0.06152347
-3.26714311 -0.39001542 -6.53785771
-0.00023583 -0.00023321 0.00006973
0.02270575 0.01614498 -0.00536285
-3.66685145 -3.15028523 -17.60770495
0.00031639 0.00002094 -0.00005624
-0.00898463 0.02762296 0.02012483
14.28408377 16.40975661 -21.34186585
0.00011772 0.00009089 -0.00014229
-0.00952010 0.03172386 0.01520318
-14.56317885 17.73529105 -13.39558069
0.00007665 0.00025164 -0.00019394
0.00323547 -0.00794336 0.04253640
1.38304481 15.03100423 7.81236753
-0.00013838 -0.00023273 -0.00036454
-0.03698251 0.03776708 0.00985643
-4.32095226 -9.19328807 3.87564940
0.00039824 -0.00000538 -0.00028692
0.00749693 -0.00942136 -0.00214167
2.11070208 -5.15436398 2.29905138
0.00000414 0.00007848 -0.00000454
-0.03720896 0.02081592 0.04816868
9.67014987 7.21450815 4.37790110
0.00006369 0.00007117 -0.00004786
-0.01597606 -0.01567915 0.01876566
-9.32190797 -10.33358157 -2.57386758
-0.00010159 -0.00023313 0.00024022
0.03579081 -0.02520978 -0.00167058
3.41596579 -15.62066843 -13.13429951
-0.00002084 0.00002769 -0.00010093
-0.01901250 -0.00106507 0.01711334
3.85580305 -5.71567712 -3.07822561
0.00016093 0.00002885 0.00036810
-0.04512803 0.03635315 -0.03484460
18.38893661 1.87313523 24.44425852
-0.00007918 -0.00018482 -0.00014050
-0.01689494 -0.00586646 0.00194842
-8.98000074 2.43729128 1.54206589
-0.00029931 -0.00034784 0.00006755
0.01461191 0.00438926 -0.00522038
-5.87084298 12.47417102 -9.75424582
0.00032815 -0.00045524 0.00019134
-0.00972324 0.00086032 0.00496269
1.61650231 13.31889682 -7.52264342
0.00006384 0.00013343 0.00032150
0.00818105 0.00952889 -0.00957860
-11.22386107 10.02775125 -12.51278384
-0.00038768 -0.00000170 0.00001301
-0.00730246 0.05622851 0.02830889
7.84618267 3.86184645 14.64644100
-0.00000509 -0.00030600 0.00008572
-0.02773573 0.01546989 -0.00778663
-15.31169056 9.94866453 -7.68178165
0.00033863 0.00051916 0.00066505
-0.01883714 0.01579542 -0.00095814
8.52687189 7.66925180 -3.04107328
-0.00033652 -0.00022810 0.00014313
-0.02833060 0.00464076 -0.03919038
14.14988342 -20.68974872 -26.64930849
-0.00010456 0.00007267 0.00026002
0.00851046 0.01063887 -0.02718834
5.13051914 6.79005111 1.82540095
0.00006013 -0.00016406 0.00039400
-0.00563430 -0.00286354 -0.02440314
18.21477869 -5.84623020 -7.45662001
-0.00008243 0.00007748 0.00027707
0.02474646 -0.00296893 -0.01258280
-1.96721602 -2.18288165 -2.00926527
-0.00006907 -0.00016651 0.00015333
0.00926227 -0.01118866 -0.00336672
2.80492439 -2.12773566 -12.02549177
0.00013704 -0.00020355 -0.00000157
0.02262039 -0.02524183 -0.00782665
19.76605705 9.11473587 -6.05395406
0.00024147 -0.00039718 0.00021361
-0.03037008 0.02769257 0.00154502
-7.69352060 5.70575396 8.66022148
-0.00018507 0.00009980 -0.00035324
0.00079149 0.00883378 -0.00361943
-1.71840982 -16.11603667 11.35946915
0.00010081 -0.00008439 -0.00010004
-0.00288674 -0.01775915 0.00588402
7.61499552 -0.32503597 -4.74980321
0.00012765 0.00048230 0.00002351
0.02576536 0.00227184 0.06701993
-1.05119926 -12.24535598 0.70399800
-0.00009022 -0.00013511 0.00010248
-0.01357890 0.00301116 -0.00618682
-20.02112114 -0.44201713 5.33208741
-0.00009215 0.00041500 0.00011840
0.04491834 -0.03317390 0.00851076
-6.40817724 8.00836780 -25.18001124
0.00030329 0.00023681 -0.00022051
-0.00307425 0.00856452 -0.04778440
2.35196765 1.94919267 -1.88911828
-0.00023428 -0.00019042 -0.00010748
-0.01680772 -0.00719702 0.00693508
14.59900789 8.18403026 4.14365368
-0.00018509 -0.00001359 0.00008431
0.03172548 0.05225658 0.00966465
-8.13263498 -6.83502848 10.19673089
0.00064515 -0.00100273 -0.00031599
-0.01329667 0.00725753 -0.01023881
-10.35686508 -5.61445342 8.47745733
-0.00011716 0.00034944 0.00075707
-0.00328597 -0.01386464 -0.00726770
-13.18425306 5.70291650 7.30081969
-0.00034478 -0.00116389 -0.00072823
0.00215519 0.00135998 -0.00249257
-13.51434504 3.18022113 8.78832367
0.00108859 -0.00036668 0.00104240
0.00000840 0.01403952 0.00003374
-14.53390723 1.52568551 4.25235214
0.00075885 -0.00001299 0.00006311
-0.01189808 0.00357781 0.00189829
-17.45348451 0.78109161 3.79704578
-0.00060705 -0.00025312 0.00098568
0.02550224 0.01200128 -0.00965492
2.43828261 -21.33814376 12.89065007
-0.00072678 0.00080116 -0.00005331
0.00101534 -0.05333588 -0.03344861
3.31509600 -19.77685812 14.81180718
0.00064782 -0.00023476 -0.00021986
0.04276970 0.00984561 0.06312111
9.19625097 19.22607887 0.00742708
-0.00031585 -0.00001839 -0.00034904
-0.01103864 -0.03360926 0.00155877
8.74549172 21.75553718 1.47822082
-0.00022126 -0.00071479 -0.00025462
0.00488609 -0.01490359 -0.01832946
-10.48203826 12.08560171 16.74799476
0.00054542 -0.00030396 0.00061581
-0.00160630 0.00266468 0.00530470
-11.25346802 14.65876063 15.67606659
0.00055620 -0.00018173 0.00059991
-0.00310124 -0.03979690 -0.01375242
-6.01265283 0.13016267 -14.47660724
-0.00021564 0.00022395 -0.00001155
-0.00459948 -0.00127612 0.01625606
-7.18262441 0.36088176 -11.52233075
-0.00061587 0.00062529 -0.00120580
0.01953144 -0.00228993 -0.02738151
-7.86377011 8.26572021 -6.83733644
0.00070096 -0.00017187 -0.00100292
-0.00434251 -0.00568811 -0.00496493
-9.76962060 6.88807471 -5.29589804
0.00013297 0.00145295 0.00000444
-0.01603363 0.00294661 0.02448706
-7.64063471 -1.91735168 17.93723202
0.00030122 -0.00126378 -0.00010191
0.00733503 -0.02653377 0.00406444
-7.12858535 -4.23536703 19.77682528
-0.00005774 0.00000851 -0.00076983
-0.00496373 -0.00392996 0.00500714
-24.58160343 -6.11504516 -23.60436028
0.00102589 0.00112162 -0.00083028
0.00704192 -0.01191472 -0.00155014
-21.89573889 -6.90885523 -23.85082916
-0.00035736 -0.00009648 -0.00071588
0.02436879 0.00711163 -0.00181578
8.66897401 13.10315157 4.92155030
0.00004909 0.00019511 -0.00063590
-0.00164831 0.00503314 -0.04972979
9.71542103 11.82516392 7.28263523
0.00084374 0.00027623 0.00017645
-0.02528008 0.02645298 0.00563735
24.14859378 27.41368119 -2.59635864
0.00014396 -0.00040331 -0.00008146
0.00132646 -0.01908032 0.00567540
22.66456348 29.65235927 -1.45704830
-0.00102126 -0.00130040 0.00034409
-0.00485411 0.00765626 0.00991783
11.18546369 -0.65057910 -14.22758131
0.00019920 0.00111476 0.00061121
-0.04001995 0.01973185 -0.00753638
8.36985791 -1.35192504 -14.61669109
0.00016407 0.00011697 0.00054136
0.00139365 -0.00736882 0.00737354
-9.65785499 -1.39804778 14.13463211
0.00046072 0.00011941 0.00002801
-0.00404190 0.01824509 0.03091794
-9.38703489 -2.99938386 11.95906620
0.00050876 -0.00023730 -0.00040060
0.01221391 0.03486500 -0.01630524
-3.25103815 -26.52877955 12.00004009
0.00036400 -0.00014873 -0.00007010
0.01608854 0.00658939 -0.01756765
-3.33059291 -25.61621406 9.15877041
0.00022123 0.00064339 -0.00051400
0.00459107 0.00265664 0.00169616
-14.93243737 -2.46926970 -6.63526215
-0.00043959 0.00010207 -0.00087195
0.00663033 0.01190187 0.00890875
-16.09423138 -3.80168507 -8.94962289
-0.00019643 -0.00018065 -0.00048927
0.00064533 -0.00099507 0.01155305
-19.10204120 -9.54707292 -19.09623019
-0.00071768 0.00074190 0.00035669
0.00662516 0.05244732 -0.01848416
-18.19933821 -12.20799723 -19.03219260
-0.00035502 -0.00060715 0.00043408
-0.00694954 -0.00118649 0.00861826
22.49912332 6.26228692 3.95481426
-0.00020183 0.00080557 0.00062710
0.00156443 -0.02308788 -0.00518537
20.40043818 6.98690328 5.39166845
-0.00012084 0.00106954 -0.00009310
-0.02280279 -0.00232796 0.01023723
18.58690106 -11.12244606 -11.88420043
-0.00010328 -0.00039557 0.00054852
-0.04210761 0.02038760 0.04170516
18.98080923 -10.64101627 -14.75733085
0.00076394 0.00052657 -0.00009248
-0.00594598 0.00520795 0.01215191
-1.69938350 0.61587484 -6.67250482
-0.00032314 -0.00039553 0.00077930
-0.01950601 -0.00594961 -0.00228121
-4.62850990 0.79377053 -6.20338088
0.00085842 0.00097847 -0.00001338
0.00536593 -0.00501293 0.00244278
-3.20049322 -4.41245077 -18.76274053
-0.00076121 0.00065135 -0.00049120
0.00658139 -0.01330397 -0.01684176
-3.68660253 -1.51719264 -18.48929799
0.00002993 0.00053356 -0.00015538
0.00266474 -0.00573329 -0.00142100
13.96897703 17.96623902 -20.34598608
0.00099808 0.00071898 -0.00064441
0.01294503 -0.01863022 -0.00919071
12.50406069 15.90883292 -21.52938600
-0.00029580 -0.00048399 0.00067484
0.00301937 -0.01022630 -0.00473248
-13.95509618 17.08358921 -11.71094176
-0.00030103 0.00018783 -0.00068905
-0.00938514 0.01774764 -0.02900981
-14.49101337 16.18340237 -14.36478657
0.00066290 0.00116054 0.00042630
0.00085561 -0.01658355 -0.01285920
1.95100608 15.93053464 6.31341068
-0.00046135 0.00059078 -0.00001489
-0.00021659 -0.00869075 0.00184196
-0.11003503 16.15218141 8.43732883
-0.00050000 0.00102647 -0.00113370
0.03603308 -0.03307799 -0.00980857
-4.54980697 -7.94119093 2.56317705
0.00050760 0.00002303 0.00066780
-0.01035238 -0.00157599 0.00354061
-3.20276360 -10.40826624 3.04233126
-0.00064322 0.00030216 0.00031311
-0.00211515 0.00161192 -0.00138686
1.27572629 -3.71272601 3.31395203
0.00111376 -0.00001064 -0.00085371
0.02723213 -0.03024365 -0.03029374
3.24992699 -4.39104058 1.15902302
-0.00086529 0.00005068 0.00132945
0.01254663 0.01018588 -0.01248579
8.13754691 7.61724597 3.48550678
-0.00092995 -0.00039564 -0.00119209
0.00038077 -0.00133745 -0.01059483
11.16695194 7.85935393 3.62572131
0.00028495 0.00021030 -0.00046787
0.01793142 0.01075676 -0.00715492
-7.86001920 -11.57982969 -2.16192661
-0.00126085 -0.00072618 0.00046434
-0.03489003 0.01986237 -0.01469448
-10.28202634 -9.97063326 -1.09701783
0.00034421 0.00010253 0.00098002
-0.00815953 0.00634105 0.01205319
5.20081600 -16.20059465 -13.30546936
-0.00057383 -0.00100465 -0.00166062
-0.01337246 -0.00412855 0.01697256
2.40933679 -16.30579796 -11.65174123
-0.00112293 0.00015135 0.00064907
0.03374055 0.00460518 -0.03264813
4.45937850 -4.67380113 -4.53157941
-0.00084433 -0.00005658 0.00042310
0.00722485 -0.02133119 0.02308515
5.15528791 -6.61311199 -2.30934025
0.00036999 0.00007408 0.00051768
0.04142678 -0.01698904 0.01158988
16.68048157 2.58175305 24.57122685
-0.00019366 -0.00059992 0.00044823
-0.00120911 -0.01236154 -0.01031869
19.31206808 3.19048155 25.28682180
0.00012179 0.00040802 -0.00083456
0.01619775 0.00719413 0.00337142
-9.56622339 0.71203685 1.34338649
0.00005220 -0.00045192 -0.00035633
-0.01052698 0.00527401 0.00716916
-9.96412574 3.39545562 2.74208816
0.00018110 0.00009133 -0.00020612
-0.00534396 -0.00549189 -0.00284535
-5.03678799 13.70464137 -8.59078182
-0.00021877 0.00031067 -0.00030725
-0.00631768 -0.00708830 -0.00618305
-7.58374807 12.19240787 -9.12566641
0.00046827 -0.00030784 -0.00094251
0.00809436 0.00345201 -0.00201288
1.42148444 11.67295753 -6.76482378
-0.00015330 0.00004574 -0.00078620
-0.00513676 0.01034488 0.01162857
2.20086495 14.57306591 -6.28925514
0.00077515 -0.00034229 -0.00066808
-0.00173852 -0.02181319 0.00089670
-10.82323790 8.40738403 -12.97877084
-0.00037471 -0.00014790 0.00070724
0.01138850 -0.05555389 -0.01014279
-11.70593817 10.00978898 -10.72380597
0.00035628 -0.00037100 -0.00014772
0.00015576 -0.00221507 -0.01722748
7.25162225 5.32209665 13.60109952
-0.00118386 -0.00012510 0.00084364
0.02090011 -0.02405508 0.01595711
9.63166802 3.68044656 14.55874343
0.00010373 -0.00051333 0.00007015
0.01099916 0.01107535 -0.01124286
-14.20751334 11.43755442 -7.39898438
-0.00011309 0.00069284 -0.00108264
0.00185497 -0.01004540 -0.00109934
-16.97969298 10.72272880 -7.98974884
-0.00000518 -0.00039037 -0.00019923
0.01633832 -0.00838213 0.00258414
9.22870961 9.27430679 -2.65196154
-0.00021302 -0.00060438 -0.00126975
0.01326373 0.01350810 0.01490995
7.62193352 8.23395950 -4.65677907
-0.00052449 0.00074473 -0.00051722
0.01333999 -0.01866123 0.02596477
14.47013350 -19.05710037 -27.49408901
-0.00008952 0.00043799 -0.00050040
-0.00783656 -0.00936596 0.00776863
13.58032026 -20.26906518 -25.00410949
0.00078165 0.00005615 0.00012062
-0.00384183 0.00937461 0.02092503
5.03281388 4.95798578 1.95344857
0.00054530 -0.00116041 -0.00009958
0.00475196 -0.00374028 0.01453534
5.41172590 6.92312875 -0.00557736
-0.00000635 0.00002608 -0.00061005
0.00518001 0.01082986 0.00974347
19.94699675 -5.47378979 -6.94319820
-0.00112981 0.00138716 -0.00007468
-0.01509897 -0.00790264 0.00369023
17.05437393 -4.98139906 -6.35209262
-0.00004613 0.00012153 -0.00035042
-0.00987473 0.01157857 0.01837790
-2.56639160 -0.73999011 -1.12805188
0.00025504 -0.00020891 -0.00079925
-0.00657487 0.01347743 0.01512662
-2.34668095 -1.72379971 -3.76009549
-0.00092145 -0.00036344 0.00128856
-0.00432313 -0.00193157 -0.00026251
3.92725126 -3.57996575 -12.52072041
-0.00053097 0.00034001 -0.00013393
-0.01306863 0.02169681 0.00968319
1.14870741 -2.91347597 -11.81864726
0.00011224 -0.00010059 -0.00003402
-0.00581648 0.00342799 0.00102183
19.88531399 8.70039836 -7.77602125
0.00015077 0.00035604 0.00004431
-0.00147161 -0.00766406 -0.03023987
20.95987890 8.05570470 -5.29976008
0.00014413 -0.00054508 -0.00012583
0.02990724 -0.02742852 0.02602493
-7.21878800 3.92873467 8.74744468
-0.00019791 -0.00152029 -0.00056978
0.00127447 -0.01356132 -0.00510365
-6.83886502 6.31242285 10.11997712
0.00048830 -0.00047079 -0.00071838
-0.00004588 0.01145953 0.01245178
-1.84942054 -17.94967392 11.57376635
0.00089347 -0.00019517 0.00002564
0.00370845 0.01345435 0.00061846
-2.78321429 -15.77694887 9.93016270
0.00034309 -0.00040874 0.00003854
0.00100947 0.00467645 -0.00484434
8.59348130 -0.33313297 -3.04561430
0.00011990 0.00028878 -0.00065238
-0.02273381 -0.00554777 -0.04066991
7.69783728 1.38889740 -5.31331194
0.00037087 0.00031863 -0.00062277
-0.00154396 0.01772673 -0.01215601
0.27647638 -11.96850284 1.93186630
-0.00032533 -0.00023144 -0.00002328
0.00692990 0.00665034 0.00159812
-1.27103507 -10.60722361 -0.19971170
-0.00084920 -0.00049041 0.00039840
0.00515135 -0.00722759 0.00248241
-19.22786392 -1.09798237 6.96523304
0.00028100 0.00119688 0.00005498
-0.02232345 0.01258285 -0.01913367
-21.36124617 0.55397375 5.89102879
-0.00020550 0.00041219 -0.00027533
-0.02697879 0.02318726 0.01011849
-5.29461485 8.23522285 -26.76845503
-0.00138992 0.00034014 0.00022190
-0.00383897 -0.00212813 0.04539528
-5.37641219 7.73666859 -23.78866969
-0.00017252 0.00035797 0.00046670
0.03134480 -0.00804322 0.02787740
4.08637178 1.90211671 -2.26875616
0.00002502 0.00063192 0.00045203
0.02657540 -0.00857289 -0.00431575
1.88743556 0.23045092 -1.44907036
-0.00113676 0.00085074 -0.00027063
-0.00196829 0.00475138 -0.00330461
14.92656283 7.69386771 5.92329524
-0.00042374 0.00006243 -0.00014875
-0.00875470 -0.00507755 -0.01357434
15.36717310 9.98132573 4.07483546
-0.00096303 -0.00001576 -0.00044433
-0.02130934 -0.04403652 -0.00238811
1.61105347 -11.73262316 -13.95213572
0.00023234 0.00011560 -0.00011621
0.01077614 0.00658811 0.00336448
-13.57832266 14.68839504 22.81397252
-0.00004620 0.00013291 0.00013791
-0.00354913 0.00062631 -0.00109936
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02479431
0.32520585
433.32048723
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3681685735 (a.u.)
total exchange computation time: 2.6897311211 s
-154.1783861841
-931.35094526
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3675355980 (a.u.)
total exchange computation time: 2.6893219948 s
-154.1841074685
Anderson extrapolation: theta=1.3531804479 (1.3531804479)
-931.35122238
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3665775817 (a.u.)
total exchange computation time: 2.6901450157 s
-154.1926115853
Anderson extrapolation: theta=0.0569874733 (0.0569874733)
-931.35138982
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3664447062 (a.u.)
total exchange computation time: 2.6899399757 s
-154.1937483630
Anderson extrapolation: theta=2.0287325893 (2.0000000000)
-931.35139682
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3661615860 (a.u.)
total exchange computation time: 2.6889929771 s
-154.1961248803
Anderson extrapolation: theta=0.2443115360 (0.2443115360)
-931.35140440
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3660937568 (a.u.)
total exchange computation time: 2.6903140545 s
-154.1966516761
Anderson extrapolation: theta=1.6949871834 (1.6949871834)
-931.35140583
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3660044503 (a.u.)
total exchange computation time: 2.6911981106 s
-154.1972920038
Anderson extrapolation: theta=0.2927191091 (0.2927191091)
-931.35140725
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3660032315 (a.u.)
total exchange computation time: 2.6895081997 s
-154.1972445006
Anderson extrapolation: theta=1.2192508060 (1.2192508060)
-931.35140755
-22.317453 -126.592643 -244.623325
-137.244761 458.407779 -806.194636
-159.562213 331.815136 -1050.817961
1113.453983
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.156 s
total exchange = -52.3660192615 (a.u.)
total exchange computation time: 2.6921057701 s
678.83111506
-1083.90333030
89.77796772
-388.91028885
-174.78085205
78.39045600
551.60419304
0.00000000
-931.35140768
-9.17022188 -5.33645461 9.80822075
0.00006702 0.00016070 0.00017632
0.02657345 -0.00876529 0.02109623
-13.76471899 5.02601385 8.91090957
0.00006102 0.00001997 -0.00009802
-0.00559646 -0.01590930 0.00111469
-15.86443035 1.52942488 2.96891760
-0.00008424 -0.00006760 -0.00004668
-0.01482384 -0.01405591 0.01599881
2.33881966 -19.68953249 13.41465957
-0.00028356 -0.00014772 0.00020006
-0.04478683 0.04962062 -0.02645063
9.94843238 20.80604270 0.34687163
0.00049332 0.00009515 -0.00034385
-0.00336963 0.03895157 0.01086209
-11.26115935 12.79916919 15.19923402
-0.00023341 0.00016555 -0.00010082
0.00986259 0.04086134 0.01240910
-5.96411327 1.03954936 -12.87482652
0.00006879 -0.00023481 0.00025749
-0.01009962 0.00152552 0.00560112
-8.88620523 6.75731601 -6.83586030
0.00004138 0.00014554 -0.00007342
0.00894641 -0.00321202 -0.03227773
-7.33462839 -3.78136664 18.01675527
0.00031717 -0.00003896 -0.00002601
-0.00665490 0.01914687 -0.01822030
-23.52344407 -7.64328567 -23.67361020
-0.00034419 -0.00026238 -0.00038742
-0.03071880 0.01054712 -0.00076596
8.57404848 13.26657807 6.66650638
0.00036882 0.00046027 0.00023254
0.02404719 -0.02642649 0.03677877
23.03228496 28.75167804 -2.97966242
-0.00035064 -0.00018782 0.00033657
-0.00457683 0.01754869 -0.02132134
9.48560958 0.10493335 -14.68932068
0.00034708 0.00024032 -0.00022754
0.03788191 -0.00984330 0.00008537
-9.16330434 -1.13217719 12.44251966
-0.00030830 -0.00032542 -0.00026683
-0.00900303 -0.04695940 -0.01428686
-2.16694775 -25.92203389 10.54105113
-0.00015720 -0.00005433 0.00006095
-0.01402927 -0.00892685 0.00060363
-15.29804665 -4.12588725 -7.32849434
-0.00017060 -0.00016139 -0.00029648
-0.01211107 -0.02189560 -0.03020982
-19.41381394 -11.04085893 -18.25374924
0.00012457 -0.00015903 -0.00013721
0.00220043 -0.04859168 0.00915867
21.02078407 5.43355874 4.70466362
-0.00035679 0.00019272 0.00011513
0.02316871 0.02977196 -0.00133560
19.59640217 -11.50432238 -13.25111245
0.00067291 0.00016359 0.00006160
0.03128350 -0.01947312 -0.05647754
-3.27059302 -0.39345135 -6.53683248
-0.00022445 -0.00022481 0.00006708
0.02154915 0.01652762 -0.00493637
-3.66214024 -3.14986461 -17.60847099
0.00031160 0.00003657 -0.00004569
-0.00964745 0.03315515 0.02090985
14.28581290 16.41124239 -21.34394160
0.00011230 0.00010699 -0.00013455
-0.01157112 0.03085242 0.01491693
-14.56201663 17.73903507 -13.39832573
0.00007803 0.00024938 -0.00017176
0.00211810 -0.00084335 0.04373840
1.38082646 15.02765898 7.80693752
-0.00015806 -0.00021242 -0.00035949
-0.03956291 0.04119709 0.00975943
-4.31494980 -9.19340515 3.87133739
0.00040101 -0.00000984 -0.00028611
0.00327970 -0.00789621 0.00528929
2.11062068 -5.15310643 2.29916904
-0.00001634 0.00008734 0.00002152
-0.04244111 0.01362338 0.05317273
9.67104357 7.21551516 4.37725560
0.00005420 0.00006398 -0.00003985
-0.02090561 -0.01225563 0.01239151
-9.32329370 -10.33717576 -2.57027076
-0.00008425 -0.00024566 0.00024022
0.03163323 -0.02353211 0.00169653
3.41557983 -15.62025719 -13.13574747
-0.00003163 0.00002687 -0.00009129
-0.02292574 -0.00213877 0.02039062
3.85804299 -5.71510408 -3.07283856
0.00013787 0.00004676 0.00035106
-0.04455508 0.03327390 -0.03139430
18.38768376 1.87034026 24.44215857
-0.00008754 -0.00018757 -0.00013926
-0.01561492 -0.00480070 0.00288066
-8.98443397 2.43209058 1.54305898
-0.00029129 -0.00034574 0.00006451
0.01655667 0.00378331 -0.00659585
-5.86595829 12.46734580 -9.75135659
0.00032406 -0.00045465 0.00019338
-0.00617104 0.00141078 0.00297384
1.61749152 13.32093499 -7.51785786
0.00006768 0.00013806 0.00031509
0.00672132 0.00849934 -0.01534579
-11.22970442 10.02794266 -12.51247943
-0.00039113 0.00002677 0.00002700
-0.00610492 0.05449018 0.02607752
7.84599937 3.85731614 14.64769672
-0.00001926 -0.00029819 0.00008181
-0.02738379 0.01490413 -0.00740391
-15.30668379 9.95651291 -7.67180957
0.00032840 0.00052667 0.00066429
-0.02092970 0.01339832 -0.00200824
8.52171474 7.66584825 -3.03907754
-0.00035206 -0.00022627 0.00012176
-0.03207393 0.00247207 -0.04389270
14.14834786 -20.68861762 -26.64551309
-0.00009971 0.00007877 0.00024468
0.01036274 0.01309635 -0.03243736
5.13139929 6.78757918 1.83121682
0.00005739 -0.00016701 0.00037997
-0.00498659 -0.00860984 -0.03016117
18.21363765 -5.84507940 -7.45251252
-0.00007078 0.00007546 0.00026988
0.02056563 -0.00488096 -0.01537391
-1.96821642 -2.18542242 -2.00697833
-0.00006372 -0.00017337 0.00015241
0.01156709 -0.01548096 -0.00022257
2.80706724 -2.13088631 -12.02554547
0.00014789 -0.00021560 -0.00000531
0.01958930 -0.02158775 -0.00673269
19.76956196 9.10888496 -6.05074401
0.00022589 -0.00038286 0.00021417
-0.03023191 0.02801906 0.00063775
-7.69629356 5.70728501 8.65490888
-0.00018421 0.00010160 -0.00035532
0.00254530 -0.00181813 -0.00444751
-1.71690875 -16.11737109 11.35799131
0.00009978 -0.00009372 -0.00009647
-0.00112650 -0.01851648 0.00797869
7.61700968 -0.31779272 -4.74919204
0.00014050 0.00048343 0.00005708
0.02419138 0.00214546 0.06350767
-1.05260501 -12.24737102 0.70551127
-0.00009759 -0.00013418 0.00009924
-0.01504974 0.00061028 -0.00637646
-20.02233009 -0.43592010 5.33389625
-0.00006912 0.00039818 0.00012261
0.04463997 -0.03224179 0.00784469
-6.40363980 8.01195296 -25.18350320
0.00030088 0.00024081 -0.00024306
-0.00628006 0.00698092 -0.03990736
2.34838857 1.94630854 -1.89070366
-0.00024231 -0.00019243 -0.00010442
-0.01440170 -0.00059523 0.00494328
14.59635389 8.18402805 4.14495555
-0.00016915 0.00001302 0.00008859
0.03027743 0.05122314 0.00700808
-8.12336518 -6.84984706 10.19167734
0.00058238 -0.00096037 -0.00036023
-0.01742959 0.01347944 -0.01141939
-10.35872314 -5.60963667 8.48859067
-0.00013451 0.00029199 0.00072278
-0.00520985 -0.01425662 -0.00951917
-13.18935873 5.68549985 7.28981992
-0.00033551 -0.00115718 -0.00073828
0.00238337 0.00192397 -0.00243112
-13.49801589 3.17515119 8.80396070
0.00108694 -0.00030387 0.00104238
-0.00081954 0.01670642 -0.00004317
-14.52288914 1.52560024 4.25335694
0.00070350 0.00000154 0.00006439
-0.01519531 0.00353464 -0.00126900
-17.46180881 0.77766264 3.81153507
-0.00049680 -0.00020090 0.00094236
0.02846437 0.01355883 -0.01154863
2.42741207 -21.32776078 12.88882539
-0.00072206 0.00056811 -0.00019469
0.00129443 -0.06074061 -0.03575583
3.32612382 -19.78007789 14.81044348
0.00081887 -0.00019498 0.00003043
0.04096235 0.00962785 0.05939637
9.19117498 19.22477308 0.00223931
-0.00035588 -0.00014847 -0.00034212
-0.00855660 -0.03006628 0.00182863
8.74232253 21.74435868 1.47383988
-0.00019925 -0.00077370 -0.00032957
0.00588716 -0.01393261 -0.01836198
-10.47390625 12.08112401 16.75739450
0.00053280 -0.00028860 0.00062667
-0.00457085 0.00485192 0.00001131
-11.24522001 14.65481520 15.68464384
0.00054256 -0.00034106 0.00054320
-0.00357694 -0.03819902 -0.01400754
-6.01602842 0.13348283 -14.47628230
-0.00023422 0.00021872 0.00005424
-0.00449558 -0.00128267 0.01594439
-7.19126403 0.37019094 -11.54125683
-0.00054068 0.00061240 -0.00130987
0.01727608 -0.00402112 -0.02356135
-7.85338871 8.26296782 -6.85253244
0.00068233 -0.00019628 -0.00102353
-0.00477920 -0.00625791 -0.00512308
-9.76811742 6.90995920 -5.29508110
0.00006910 0.00146466 0.00010170
-0.01523134 0.00278769 0.02312334
-7.63589163 -1.93712150 17.93582791
0.00032847 -0.00135652 -0.00008609
0.00600349 -0.01886282 0.00368100
-7.12960349 -4.23535984 19.76543130
-0.00007672 -0.00001100 -0.00073813
-0.00432755 -0.00561969 0.01050944
-24.56599936 -6.09858597 -23.61686197
0.00105372 0.00106830 -0.00083589
0.00658414 -0.01418593 -0.00119681
-21.90035253 -6.91008450 -23.86162305
-0.00025791 -0.00007102 -0.00072323
0.02431229 0.00535191 -0.00178255
8.66965991 13.10623241 4.91048791
0.00004138 0.00021686 -0.00081994
-0.00212695 0.00561445 -0.04036003
9.72730247 11.83011802 7.28545474
0.00073781 0.00038658 0.00019766
-0.02657440 0.02756451 0.00474698
24.15079383 27.40704680 -2.59740665
0.00014442 -0.00047560 -0.00005967
-0.00110099 -0.01630627 0.00499292
22.64909588 29.63308782 -1.45158311
-0.00104196 -0.00126610 0.00038973
-0.00528233 0.00913560 0.01242609
11.18722534 -0.63325298 -14.21864413
0.00003866 0.00119249 0.00058060
-0.03856475 0.01831554 -0.00744409
8.37236162 -1.35039628 -14.60834477
0.00017264 0.00008936 0.00057130
0.00280068 -0.00614593 0.00728464
-9.65106806 -1.39569761 14.13599964
0.00044437 0.00019296 0.00015225
-0.00396151 0.01776080 0.02989792
-9.37902915 -3.00187498 11.95255756
0.00055712 -0.00009659 -0.00046588
0.01145695 0.03401386 -0.01564870
-3.24508514 -26.53080855 11.99845020
0.00042590 -0.00012274 -0.00014030
0.01421216 0.00613080 -0.01679152
-3.32713380 -25.60648176 9.15111244
0.00024185 0.00065275 -0.00050213
0.00550582 0.00192280 0.00411175
-14.93882799 -2.46737391 -6.64806843
-0.00041224 0.00015016 -0.00083459
0.00675453 0.01163777 0.00937790
-16.09715809 -3.80442537 -8.95660795
-0.00019289 -0.00018572 -0.00044013
0.00108659 -0.00148477 0.01250410
-19.11260340 -9.53433731 -19.09144619
-0.00069098 0.00094526 0.00028529
0.00644311 0.04710028 -0.01647063
-18.20487644 -12.21714089 -19.02541727
-0.00038028 -0.00061115 0.00046595
-0.00541689 -0.00077173 0.00697867
22.49614379 6.27366304 3.96406188
-0.00019622 0.00070895 0.00060605
0.00118207 -0.02420906 -0.00511761
20.39792680 7.00287509 5.39058571
-0.00021215 0.00105158 -0.00005435
-0.02189380 -0.00646551 0.00872739
18.58406148 -11.12775492 -11.87469470
-0.00026617 -0.00031599 0.00070522
-0.03762700 0.01856754 0.03500426
18.99208608 -10.63295812 -14.75834574
0.00074043 0.00054609 -0.00003946
-0.00556195 0.00434813 0.01380287
-1.70482840 0.60975951 -6.66088524
-0.00039807 -0.00041952 0.00076916
-0.01716860 -0.00578950 -0.00267928
-4.61546921 0.80829391 -6.20350679
0.00087759 0.00095689 -0.00000324
0.00401893 -0.00554897 0.00252273
-3.21170973 -4.40308817 -18.77062467
-0.00073271 0.00059130 -0.00056503
0.00737123 -0.01608934 -0.01929493
-3.68607200 -1.50936500 -18.49167220
0.00004082 0.00050485 -0.00015775
0.00266931 -0.00831765 0.00026182
13.98434483 17.97645278 -20.35593387
0.00104903 0.00064118 -0.00068259
0.01199568 -0.01945400 -0.00949737
12.49971624 15.90125975 -21.51940835
-0.00027772 -0.00052210 0.00065699
0.00583058 -0.00842929 -0.00400854
-13.95989927 17.08695052 -11.72216647
-0.00033698 0.00025902 -0.00080005
-0.00821265 0.01709809 -0.02532476
-14.48104360 16.20030235 -14.35878611
0.00066626 0.00108016 0.00036379
0.00078561 -0.02276678 -0.01774002
1.94407917 15.93912999 6.31324380
-0.00046022 0.00055366 -0.00000817
0.00077161 -0.00947755 0.00144747
-0.11643082 16.16656484 8.42002276
-0.00034955 0.00088590 -0.00117249
0.03761279 -0.03573201 -0.00917988
-4.54251015 -7.94089383 2.57330255
0.00046443 0.00002364 0.00067442
-0.01078317 0.00187643 -0.00029863
-3.21247674 -10.40368445 3.04698545
-0.00064250 0.00029890 0.00030040
0.00246627 -0.00320879 -0.00483740
1.29326709 -3.71381244 3.30021802
0.00121755 -0.00012848 -0.00096967
0.02357367 -0.02743615 -0.02646755
3.23733218 -4.38996826 1.17858214
-0.00079607 0.00010118 0.00126041
0.02133484 0.01453287 -0.02131070
8.12360935 7.61127032 3.46730084
-0.00091229 -0.00040557 -0.00122572
0.00826299 -0.00352299 -0.00586800
11.17177566 7.86283808 3.61848401
0.00035161 0.00025110 -0.00049375
0.01470132 0.00921427 -0.00551287
-7.88000116 -11.59011378 -2.15541179
-0.00139803 -0.00064699 0.00040403
-0.03225625 0.01890449 -0.01482718
-10.27711321 -9.96890097 -1.08194824
0.00031375 0.00012741 0.00102180
-0.00675072 0.00583622 0.00840023
5.19179874 -16.21579090 -13.32985855
-0.00062755 -0.00102175 -0.00158886
-0.01292332 -0.00423989 0.01815476
2.39352683 -16.30338660 -11.64300564
-0.00097815 0.00017288 0.00050704
0.03712955 0.00593155 -0.03687812
4.44693496 -4.67530351 -4.52452550
-0.00081185 -0.00014085 0.00051371
0.00867583 -0.01992004 0.02127126
5.16210713 -6.61252137 -2.30121990
0.00053503 0.00000838 0.00056182
0.03936295 -0.01517305 0.01001779
16.67753967 2.57237546 24.57763408
-0.00019898 -0.00064987 0.00040595
-0.00139924 -0.01208967 -0.01037787
19.31439132 3.19682225 25.27440673
0.00018563 0.00043488 -0.00082243
0.01504975 0.00595323 0.00256788
-9.56576290 0.70541963 1.33826122
0.00000802 -0.00042940 -0.00032613
-0.01110209 0.00575196 0.00761218
-9.96157304 3.39665729 2.73890913
0.00015668 0.00006952 -0.00021557
-0.00660681 -0.00518516 -0.00177851
-5.04026320 13.70908424 -8.59558002
-0.00024400 0.00028163 -0.00033151
-0.00603233 -0.00712821 -0.00569444
-7.57647593 12.18789610 -9.13986581
0.00049390 -0.00029483 -0.00094747
0.00444955 0.00291427 -0.00041457
1.41902760 11.67396068 -6.77626046
-0.00017443 0.00008376 -0.00073516
-0.00521039 0.00826397 0.01335825
2.21243897 14.56726311 -6.29924881
0.00077101 -0.00042516 -0.00065641
-0.00028840 -0.01875147 0.00481198
-10.82850951 8.40346320 -12.96847305
-0.00032843 -0.00037330 0.00066470
0.01126374 -0.05478082 -0.01068117
-11.70058918 10.00415604 -10.72654966
0.00035486 -0.00037825 -0.00021238
-0.00085124 -0.00133028 -0.01442508
7.23450484 5.31948309 13.61424312
-0.00109597 -0.00022351 0.00090815
0.02212001 -0.02411980 0.01561814
9.63356109 3.67308604 14.55945118
0.00014564 -0.00046626 0.00002353
0.00951558 0.01196331 -0.01157903
-14.20915281 11.44763917 -7.41525763
-0.00010258 0.00065581 -0.00108527
0.00328860 -0.00807792 -0.00019038
-16.97926995 10.71661641 -7.99265818
0.00006245 -0.00042435 -0.00018800
0.01676495 -0.00825126 0.00291761
9.22592069 9.26565502 -2.67055094
-0.00015383 -0.00054028 -0.00120477
0.01571052 0.01786766 0.01689795
7.61447489 8.24455861 -4.66374173
-0.00046755 0.00066461 -0.00040556
0.01453630 -0.02055545 0.02869610
14.46855059 -19.05081751 -27.50135691
-0.00012342 0.00039261 -0.00046382
-0.00875702 -0.01284900 0.01013752
13.59192725 -20.26793569 -25.00165903
0.00076400 0.00009660 0.00021172
-0.00479704 0.01042736 0.02367206
5.04113902 4.94046508 1.95240035
0.00056562 -0.00116293 -0.00004102
0.00519309 0.00250628 0.01412575
5.41178934 6.92385179 -0.01442957
0.00001291 0.00006931 -0.00055738
0.00424718 0.01033092 0.01604146
19.92958692 -5.45322459 -6.94420537
-0.00117888 0.00135652 -0.00005651
-0.00892029 -0.00709289 0.00520555
17.05337941 -4.97922129 -6.35678570
-0.00009039 0.00017068 -0.00027311
-0.01179115 0.01247978 0.01946185
-2.56276751 -0.74271082 -1.13957712
0.00022508 -0.00014616 -0.00072998
-0.00808799 0.01724225 0.01878435
-2.36063510 -1.72931048 -3.74077509
-0.00094047 -0.00037035 0.00127335
-0.00499159 -0.00145144 -0.00718425
3.91888620 -3.57420075 -12.52243263
-0.00057835 0.00042119 -0.00009681
-0.01012213 0.01803999 0.00848929
1.15021272 -2.91487971 -11.81912624
0.00008823 -0.00008644 -0.00002956
-0.00593338 0.00349828 0.00116020
19.88753042 8.70550406 -7.77628326
0.00014498 0.00032521 -0.00007766
-0.00136057 -0.00742497 -0.02946485
20.96295733 8.04668805 -5.30085000
0.00026624 -0.00065737 -0.00001983
0.02986391 -0.02753839 0.02586302
-7.22171766 3.90551468 8.73874155
-0.00019714 -0.00155460 -0.00059053
-0.00089656 -0.00323084 -0.00505324
-6.83154192 6.30571212 10.10958299
0.00048973 -0.00042370 -0.00066550
0.00074669 0.01159279 0.01343101
-1.83590490 -17.95218914 11.57416990
0.00090810 -0.00013936 0.00002795
0.00345665 0.01386493 0.00051272
-2.77803707 -15.78293666 9.93059242
0.00034441 -0.00038907 0.00001468
-0.00036139 0.00495431 -0.00683840
8.59458322 -0.32897131 -3.05664621
0.00002988 0.00026685 -0.00081337
-0.02133558 -0.00518521 -0.03813835
7.70335302 1.39422006 -5.32302603
0.00036453 0.00038955 -0.00067116
-0.00156009 0.01698795 -0.01153189
0.27180874 -11.97177067 1.93156607
-0.00029439 -0.00020313 -0.00001478
0.00821878 0.00721037 0.00256516
-1.28361520 -10.61480118 -0.19365968
-0.00082761 -0.00051660 0.00040661
0.00541625 -0.00559416 0.00153976
-19.22433305 -1.07964360 6.96547135
0.00019016 0.00124673 -0.00002128
-0.02214354 0.01182166 -0.01819403
-21.36515533 0.56086708 5.88720893
-0.00031494 0.00050641 -0.00023447
-0.02659477 0.02293656 0.00987980
-5.31558126 8.24025971 -26.76373549
-0.00139650 0.00033206 0.00039927
0.00061855 -0.00182785 0.04143108
-5.37803949 7.74179165 -23.78081488
-0.00004767 0.00032659 0.00057341
0.02977104 -0.00731768 0.02435753
4.08756136 1.91133283 -2.26210801
0.00012967 0.00059470 0.00043594
0.02465345 -0.00964818 -0.00356022
1.87032386 0.24335765 -1.45323100
-0.00114526 0.00085840 -0.00028166
-0.00219411 -0.00100131 -0.00209830
14.91993853 7.69464863 5.92064805
-0.00045846 0.00004123 -0.00020019
-0.00824349 -0.00530201 -0.01160644
15.35207472 9.97973990 4.06809726
-0.00104779 -0.00019300 -0.00045283
-0.02018149 -0.04272310 -0.00177219
1.61456753 -11.73087152 -13.95386989
0.00023624 0.00011795 -0.00011501
0.01098108 0.00653398 0.00334356
-13.57902187 14.69038973 22.81603927
-0.00004700 0.00013305 0.00013766
-0.00336039 0.00061363 -0.00107766
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02471905
0.32668863
435.29621767
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3708498449 (a.u.)
total exchange computation time: 2.6902258396 s
-154.1880419896
-931.35351345
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3702287209 (a.u.)
total exchange computation time: 2.6891081333 s
-154.1937335817
Anderson extrapolation: theta=1.3402409560 (1.3402409560)
-931.35377765
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3692909505 (a.u.)
total exchange computation time: 2.6913089752 s
-154.2021551896
Anderson extrapolation: theta=0.0519856435 (0.0519856435)
-931.35393439
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3691590636 (a.u.)
total exchange computation time: 2.6906001568 s
-154.2032797365
Anderson extrapolation: theta=1.9192053371 (1.9192053371)
-931.35394015
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3688815030 (a.u.)
total exchange computation time: 2.6899349689 s
-154.2055982410
Anderson extrapolation: theta=0.2207554100 (0.2207554100)
-931.35394587
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3688139486 (a.u.)
total exchange computation time: 2.6941490173 s
-154.2061179256
Anderson extrapolation: theta=1.8589562486 (1.8589562486)
-931.35394689
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3687094704 (a.u.)
total exchange computation time: 2.6925418377 s
-154.2068680180
Anderson extrapolation: theta=0.2815611902 (0.2815611902)
-931.35394801
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3687017123 (a.u.)
total exchange computation time: 2.6928858757 s
-154.2068693528
Anderson extrapolation: theta=1.2986215614 (1.2986215614)
-931.35394825
-22.360110 -126.608383 -244.632429
-137.257928 458.415151 -806.249540
-159.618037 331.806768 -1050.881969
1113.519897
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3687079603 (a.u.)
total exchange computation time: 2.6958539486 s
678.86979490
-1083.97816346
89.77190435
-388.86102426
-174.78775193
78.43122749
551.60419304
0.00000000
-931.35394837
-9.16911414 -5.33407791 9.81094700
0.00008202 0.00015482 0.00018779
0.03178926 -0.01410850 0.02347234
-13.76382526 5.02625197 8.90944353
0.00005831 0.00001111 -0.00009755
-0.00495451 -0.01853447 0.00073600
-15.86575116 1.52835662 2.96827908
-0.00009176 -0.00007511 -0.00003737
-0.01442982 -0.01515337 0.02022907
2.33439353 -19.69155687 13.41755850
-0.00030563 -0.00012100 0.00018850
-0.04103566 0.05427254 -0.01851402
9.95581922 20.80762025 0.34175581
0.00049066 0.00011370 -0.00033840
-0.00697781 0.03316005 0.01031279
-11.26462242 12.80181000 15.19776958
-0.00022744 0.00018543 -0.00009312
0.01335871 0.03644567 0.01753897
-5.96312045 1.03603304 -12.87094253
0.00006423 -0.00023346 0.00025940
-0.00760925 0.00374928 0.00179776
-8.88554998 6.75948667 -6.83708616
0.00004571 0.00014402 -0.00008939
0.00788468 -0.00266900 -0.02981540
-7.32989652 -3.78187725 18.01629478
0.00031395 -0.00003092 -0.00003657
-0.00585072 0.01214216 -0.02283737
-23.52872538 -7.64718073 -23.67942449
-0.00035960 -0.00025592 -0.00038787
-0.02919546 0.01458356 -0.00096585
8.57967350 13.27338023 6.67013628
0.00038150 0.00044636 0.00024892
0.02528768 -0.02766368 0.02692972
23.02700772 28.74892839 -2.97469604
-0.00035218 -0.00017988 0.00032527
-0.00141179 0.01332265 -0.02263042
9.49096194 0.10850018 -14.69273351
0.00036557 0.00023529 -0.00022754
0.03402160 -0.00970381 -0.00007967
-9.16796351 -1.13723965 12.43846204
-0.00031286 -0.00034902 -0.00027377
-0.00875083 -0.04478937 -0.01267293
-2.16935988 -25.92288321 10.54196772
-0.00016408 -0.00005852 0.00006028
-0.01273209 -0.00736698 -0.00320253
-15.30065236 -4.12839261 -7.33305805
-0.00017687 -0.00017224 -0.00031210
-0.01226404 -0.02027460 -0.03052152
-19.41193688 -11.04343179 -18.25577212
0.00012535 -0.00018220 -0.00013283
0.00084256 -0.04151144 0.00789684
21.01552156 5.43656441 4.70638535
-0.00034509 0.00020926 0.00011481
0.02234362 0.03454747 0.00011654
19.60661653 -11.50194371 -13.25040625
0.00068736 0.00015432 0.00003434
0.02491312 -0.01654578 -0.04952447
-3.27387669 -0.39675978 -6.53584534
-0.00021379 -0.00021629 0.00006466
0.01990962 0.01660323 -0.00447116
-3.65750346 -3.14918821 -17.60907572
0.00030656 0.00005472 -0.00003490
-0.00994154 0.03743961 0.02103828
14.28745276 16.41296619 -21.34590228
0.00010588 0.00012248 -0.00012703
-0.01339583 0.02940238 0.01430145
-14.56083808 17.74277259 -13.40073335
0.00007874 0.00025074 -0.00014928
0.00064131 0.00611136 0.04365300
1.37830291 15.02463155 7.80158280
-0.00017887 -0.00019053 -0.00035456
-0.04134001 0.04394041 0.00939826
-4.30892204 -9.19358315 3.86706619
0.00040158 -0.00001345 -0.00028145
-0.00105747 -0.00614478 0.01282662
2.11021185 -5.15174378 2.29969691
-0.00003923 0.00009229 0.00004976
-0.04656768 0.00561511 0.05666495
9.67177599 7.21642762 4.37670570
0.00004250 0.00005855 -0.00003511
-0.02462010 -0.00887896 0.00601513
-9.32443538 -10.34095151 -2.56666084
-0.00006926 -0.00025716 0.00024200
0.02665146 -0.02115745 0.00520301
3.41501700 -15.61986246 -13.13703812
-0.00004423 0.00002560 -0.00008020
-0.02607574 -0.00278035 0.02273286
3.85993921 -5.71427435 -3.06769371
0.00011545 0.00006272 0.00033618
-0.04265439 0.02878746 -0.02647861
18.38631044 1.86750826 24.44008086
-0.00009514 -0.00018970 -0.00013750
-0.01393232 -0.00350178 0.00392888
-8.98873948 2.42691907 1.54400118
-0.00028230 -0.00034395 0.00006078
0.01840469 0.00318787 -0.00790112
-5.86112120 12.46053145 -9.74844441
0.00032184 -0.00045381 0.00019437
-0.00246257 0.00184730 0.00088587
1.61853258 13.32303873 -7.51319069
0.00007069 0.00014208 0.00030569
0.00501612 0.00712911 -0.02119504
-11.23559487 10.02855445 -12.51197383
-0.00039377 0.00005368 0.00003952
-0.00417249 0.05014993 0.02260160
7.84560482 3.85290081 14.64889533
-0.00003304 -0.00029084 0.00007820
-0.02620453 0.01368164 -0.00663428
-15.30183849 9.96446466 -7.66185299
0.00031722 0.00053289 0.00066303
-0.02254208 0.01080322 -0.00288098
8.51631015 7.66246378 -3.03742042
-0.00036929 -0.00022540 0.00009828
-0.03492246 0.00088975 -0.04740770
14.14689224 -20.68738547 -26.64196795
-0.00009403 0.00008606 0.00022698
0.01169215 0.01522747 -0.03639749
5.13224097 6.78504082 1.83680002
0.00005499 -0.00017282 0.00036317
-0.00436554 -0.01397598 -0.03516227
18.21265526 -5.84396625 -7.44852363
-0.00006153 0.00007251 0.00026138
0.01540195 -0.00662281 -0.01768355
-1.96912757 -2.18808263 -2.00469310
-0.00005723 -0.00018225 0.00015324
0.01366960 -0.01908545 0.00346272
2.80936123 -2.13420351 -12.02565111
0.00015701 -0.00022560 -0.00000841
0.01585773 -0.01729896 -0.00532997
19.77283365 9.10325021 -6.04752904
0.00021073 -0.00036872 0.00021420
-0.02871072 0.02696799 -0.00052610
-7.69904689 5.70880204 8.64956197
-0.00018246 0.00009819 -0.00035772
0.00425504 -0.01144227 -0.00490720
-1.71541636 -16.11884836 11.35657502
0.00009963 -0.00010331 -0.00009189
0.00051725 -0.01876529 0.00982926
7.61921047 -0.31053292 -4.74809094
0.00015239 0.00048470 0.00008851
0.02203297 0.00276210 0.05873886
-1.05412685 -12.24938134 0.70697534
-0.00010563 -0.00013451 0.00009599
-0.01621948 -0.00191013 -0.00627158
-20.02319465 -0.43007181 5.33576561
-0.00004666 0.00038213 0.00012647
0.04270690 -0.03015144 0.00717505
-6.39915082 8.01559197 -25.18730303
0.00029691 0.00024387 -0.00026090
-0.00915165 0.00491588 -0.02946656
2.34469838 1.94341983 -1.89225090
-0.00024879 -0.00019099 -0.00010245
-0.01079585 0.00619269 0.00271613
14.59393348 8.18442100 4.14631148
-0.00015407 0.00003885 0.00009145
0.02833275 0.04920861 0.00409295
-8.11516358 -6.86383954 10.18592394
0.00050398 -0.00089419 -0.00040865
-0.02094822 0.01891601 -0.01228298
-10.36090050 -5.60569366 8.49914062
-0.00015901 0.00023322 0.00068020
-0.00677928 -0.01451046 -0.01132391
-13.19431833 5.66820112 7.27867115
-0.00032551 -0.00114835 -0.00074767
0.00251157 0.00239757 -0.00216188
-13.48173697 3.17110513 8.81959509
0.00108193 -0.00023099 0.00104191
-0.00163302 0.01896744 -0.00018846
-14.51280232 1.52573161 4.25428397
0.00063540 0.00001587 0.00005337
-0.01814036 0.00348113 -0.00412897
-17.46838864 0.77506464 3.82531659
-0.00037585 -0.00014297 0.00089186
0.03074481 0.01479966 -0.01317373
2.41662086 -21.32110037 12.88480938
-0.00071627 0.00031096 -0.00034321
0.00154126 -0.06513528 -0.03694717
3.33966208 -19.78270761 14.81271996
0.00097808 -0.00015625 0.00025941
0.03697203 0.00933457 0.05269084
9.18557459 19.22162464 -0.00283639
-0.00038469 -0.00026214 -0.00033369
-0.00554551 -0.02557458 0.00229389
8.73951415 21.73232629 1.46833361
-0.00017374 -0.00082808 -0.00040397
0.00660206 -0.01268996 -0.01805684
-10.46605438 12.07694368 16.76679494
0.00050842 -0.00026470 0.00061664
-0.00736203 0.00684581 -0.00492440
-11.23719122 14.64852870 15.69236261
0.00052702 -0.00049180 0.00048594
-0.00402967 -0.03558896 -0.01402088
-6.01967954 0.13672439 -14.47498018
-0.00025227 0.00021316 0.00011804
-0.00433700 -0.00144182 0.01528711
-7.19884486 0.37925367 -11.56162689
-0.00047577 0.00059216 -0.00139731
0.01449728 -0.00588469 -0.01924033
-7.84330021 8.25983190 -6.86804241
0.00066215 -0.00022270 -0.00104468
-0.00509791 -0.00667842 -0.00522769
-9.76754770 6.93201455 -5.29284701
0.00000985 0.00147545 0.00019111
-0.01377238 0.00249556 0.02064399
-7.63078061 -1.95804735 17.93464940
0.00034983 -0.00141553 -0.00007202
0.00445457 -0.01002220 0.00320716
-7.13088686 -4.23569707 19.75468141
-0.00009317 -0.00003737 -0.00068441
-0.00372855 -0.00728714 0.01578763
-24.54999177 -6.08299618 -23.62943701
0.00107924 0.00100633 -0.00084002
0.00590940 -0.01614880 -0.00082334
-21.90347615 -6.91098576 -23.87252618
-0.00016034 -0.00005342 -0.00073041
0.02344749 0.00326184 -0.00173132
8.67021545 13.10965735 4.89695200
0.00003181 0.00024117 -0.00096333
-0.00255793 0.00628583 -0.02983048
9.73755526 11.83676145 7.28856517
0.00062761 0.00050022 0.00021556
-0.02736952 0.02806111 0.00401468
24.15292641 27.39941306 -2.59814867
0.00013433 -0.00053591 -0.00004078
-0.00383818 -0.01321345 0.00425402
22.63330454 29.61437626 -1.44535637
-0.00106423 -0.00122645 0.00044460
-0.00561483 0.01027338 0.01443354
11.18662351 -0.61480438 -14.21016317
-0.00011385 0.00126366 0.00055099
-0.03609017 0.01652366 -0.00705416
8.37503697 -1.34924419 -14.59955201
0.00018706 0.00006704 0.00060081
0.00426264 -0.00477962 0.00715911
-9.64452391 -1.39225895 14.13919949
0.00042893 0.00026454 0.00027003
-0.00359814 0.01727868 0.02775613
-9.37032126 -3.00228152 11.94508987
0.00060215 0.00003935 -0.00052836
0.01058559 0.03252819 -0.01493666
-3.23826113 -26.53246181 11.99583122
0.00047950 -0.00009899 -0.00020640
0.01202411 0.00549762 -0.01556725
-3.32333727 -25.59663162 9.14370646
0.00026595 0.00065908 -0.00048069
0.00628882 0.00117646 0.00638610
-14.94480465 -2.46476489 -6.66029998
-0.00038466 0.00019602 -0.00079579
0.00674542 0.01081088 0.00961552
-16.10001822 -3.80725667 -8.96282668
-0.00018795 -0.00019264 -0.00038794
0.00133340 -0.00190053 0.01304214
-19.12277072 -9.51871512 -19.08767161
-0.00066558 0.00112276 0.00022406
0.00599296 0.03978515 -0.01349842
-18.21074665 -12.22633184 -19.01821424
-0.00039886 -0.00061381 0.00049083
-0.00367676 -0.00053057 0.00520069
22.49323671 6.28355548 3.97299587
-0.00019189 0.00060831 0.00058522
0.00093979 -0.02505777 -0.00508199
20.39407363 7.01845064 5.39003785
-0.00029949 0.00101679 -0.00002188
-0.02085735 -0.01056190 0.00716743
18.57891589 -11.13192584 -11.86304369
-0.00040823 -0.00024454 0.00083144
-0.03190992 0.01641076 0.02678120
19.00302207 -10.62463348 -14.75851471
0.00071833 0.00056236 0.00001961
-0.00525353 0.00361601 0.01511333
-1.71132549 0.60328936 -6.64942987
-0.00046234 -0.00044226 0.00075734
-0.01429594 -0.00534347 -0.00310842
-4.60218220 0.82247721 -6.20347809
0.00089117 0.00093317 0.00000721
0.00262710 -0.00606234 0.00259321
-3.22247449 -4.39471162 -18.77969132
-0.00070173 0.00052175 -0.00064720
0.00779450 -0.01795880 -0.02093015
-3.68537787 -1.50204712 -18.49403036
0.00005176 0.00046624 -0.00015356
0.00268594 -0.01058435 0.00178788
14.00044781 17.98547428 -20.36646372
0.00109581 0.00056111 -0.00072128
0.01090645 -0.01973956 -0.00944144
12.49572912 15.89316999 -21.50967636
-0.00024831 -0.00055275 0.00064202
0.00856600 -0.00657698 -0.00331765
-13.96520569 17.09135971 -11.73494324
-0.00036753 0.00032680 -0.00089412
-0.00673930 0.01608225 -0.02072466
-14.47102569 16.21580704 -14.35387288
0.00066947 0.00097555 0.00028206
0.00078869 -0.02843858 -0.02226595
1.93719955 15.94714450 6.31316563
-0.00045501 0.00051353 -0.00000323
0.00177612 -0.01016785 0.00096838
-0.12052146 16.17875838 8.40215409
-0.00019425 0.00073571 -0.00120814
0.03840479 -0.03778501 -0.00826934
-4.53587419 -7.94048173 2.58340976
0.00041951 0.00003841 0.00066540
-0.01120101 0.00535124 -0.00411784
-3.22203873 -10.39929931 3.05134318
-0.00062281 0.00027546 0.00027329
0.00717364 -0.00826215 -0.00843146
1.31225264 -3.71658032 3.28486191
0.00130500 -0.00023260 -0.00106830
0.01923499 -0.02353077 -0.02181274
3.22604490 -4.38800528 1.19683520
-0.00069194 0.00016868 0.00115642
0.02963869 0.01851092 -0.02959142
8.11017821 7.60507876 3.44873528
-0.00086395 -0.00042386 -0.00124064
0.01539909 -0.00543048 -0.00143650
11.17750036 7.86688693 3.61090884
0.00040412 0.00028509 -0.00051230
0.01100253 0.00742632 -0.00356680
-7.90195998 -11.59923929 -2.14980567
-0.00152316 -0.00057286 0.00034374
-0.02899934 0.01737989 -0.01468489
-10.27261380 -9.96681099 -1.06636383
0.00028945 0.00015001 0.00104795
-0.00514290 0.00522760 0.00440164
5.18198946 -16.23124700 -13.35313511
-0.00067937 -0.00103920 -0.00151255
-0.01244167 -0.00430608 0.01919920
2.37999239 -16.30061171 -11.63653016
-0.00082114 0.00019884 0.00034988
0.03972441 0.00677911 -0.04004901
4.43502313 -4.67802670 -4.51616796
-0.00077320 -0.00021830 0.00059545
0.01024240 -0.01799258 0.01873642
5.17133877 -6.61286065 -2.29248560
0.00068873 -0.00004812 0.00059803
0.03587524 -0.01248257 0.00770628
16.67451202 2.56225693 24.58340529
-0.00020520 -0.00069848 0.00036355
-0.00164214 -0.01170536 -0.01037615
19.31763690 3.20352781 25.26214903
0.00024408 0.00045600 -0.00081393
0.01356194 0.00438594 0.00159294
-9.56598282 0.69915492 1.33360247
-0.00003845 -0.00040508 -0.00029423
-0.01164565 0.00615160 0.00800427
-9.95942525 3.39754118 2.73562110
0.00012723 0.00004907 -0.00022071
-0.00781050 -0.00482437 -0.00073951
-5.04410812 13.71309025 -8.60072722
-0.00026780 0.00025277 -0.00035352
-0.00561745 -0.00699860 -0.00507724
-7.56893109 12.18356294 -9.15409061
0.00050412 -0.00028416 -0.00094592
0.00055307 0.00231125 0.00117251
1.41625144 11.67547031 -6.78687846
-0.00019594 0.00011315 -0.00067731
-0.00531927 0.00612245 0.01495943
2.22399530 14.56031110 -6.30894757
0.00077326 -0.00049469 -0.00062832
0.00138921 -0.01528343 0.00894276
-10.83309082 8.39618506 -12.95882987
-0.00028399 -0.00059019 0.00062140
0.01049051 -0.05138889 -0.01051328
-11.69529236 9.99844157 -10.73017740
0.00034911 -0.00038193 -0.00026445
-0.00196309 -0.00047378 -0.01106290
7.21874308 5.31539131 13.62834391
-0.00100393 -0.00032081 0.00097033
0.02293307 -0.02350900 0.01482054
9.63603733 3.66645870 14.55944929
0.00018067 -0.00041562 -0.00002429
0.00763110 0.01282553 -0.01182830
-14.21059072 11.45722886 -7.43154256
-0.00008628 0.00062684 -0.00108436
0.00468883 -0.00610727 0.00063891
-16.97781946 10.70999834 -7.99538870
0.00013088 -0.00045739 -0.00017559
0.01673155 -0.00792140 0.00315541
9.22409460 9.25809830 -2.68810472
-0.00008550 -0.00046026 -0.00113245
0.01773911 0.02130414 0.01850446
7.60790713 8.25389795 -4.66894572
-0.00040664 0.00057743 -0.00028436
0.01527790 -0.02212192 0.03063054
14.46643099 -19.04532212 -27.50800352
-0.00016075 0.00033419 -0.00041817
-0.00951783 -0.01574824 0.01220489
13.60324026 -20.26616715 -24.99775780
0.00074320 0.00014080 0.00031206
-0.00538244 0.01120830 0.02544598
5.04978243 4.92309798 1.95221784
0.00058760 -0.00114067 0.00001585
0.00556859 0.00838916 0.01371473
5.41211307 6.92520797 -0.02229866
0.00002856 0.00011041 -0.00048051
0.00341766 0.00979134 0.02158540
19.91163039 -5.43309410 -6.94489352
-0.00120178 0.00132969 -0.00003196
-0.00229176 -0.00604294 0.00681033
17.05166225 -4.97627869 -6.36028603
-0.00014143 0.00022261 -0.00019251
-0.01319518 0.01294309 0.01999325
-2.55963910 -0.74437482 -1.14995115
0.00018963 -0.00006943 -0.00064679
-0.00926883 0.02031785 0.02193562
-2.37489517 -1.73491021 -3.72189499
-0.00096252 -0.00037524 0.00122979
-0.00579993 -0.00094205 -0.01413675
3.90990080 -3.56733015 -12.52362458
-0.00061264 0.00048604 -0.00006509
-0.00666600 0.01370738 0.00703356
1.15135440 -2.91606906 -11.81953411
0.00006402 -0.00007191 -0.00002456
-0.00591762 0.00361074 0.00128629
19.88966346 8.71015472 -7.77835106
0.00013961 0.00029573 -0.00019401
-0.00126728 -0.00700557 -0.02748871
20.96786601 8.03598368 -5.30035487
0.00038548 -0.00076771 0.00008362
0.02850596 -0.02647283 0.02477295
-7.22470226 3.88209669 8.72972873
-0.00020460 -0.00154826 -0.00061079
-0.00275519 0.00633304 -0.00486159
-6.82417306 6.29971187 10.10001201
0.00049385 -0.00037659 -0.00060964
0.00127139 0.01146802 0.01391285
-1.82217742 -17.95385463 11.57460488
0.00092165 -0.00008275 0.00002993
0.00317593 0.01384581 0.00045650
-2.77288200 -15.78862083 9.93060304
0.00034041 -0.00036838 -0.00001695
-0.00159553 0.00517188 -0.00864259
8.59437757 -0.32512742 -3.07001547
-0.00005321 0.00024644 -0.00096203
-0.01933468 -0.00480785 -0.03463262
7.70877315 1.40058384 -5.33344687
0.00035807 0.00045605 -0.00071651
-0.00160307 0.01556371 -0.01066539
0.26764481 -11.97459660 1.93142305
-0.00025860 -0.00017266 -0.00000265
0.00929966 0.00770155 0.00336883
-1.29586339 -10.62272159 -0.18751329
-0.00080511 -0.00053577 0.00041075
0.00559626 -0.00378869 0.00048410
-19.22215927 -1.06058033 6.96459463
0.00010077 0.00129302 -0.00009264
-0.02161086 0.01083668 -0.01673523
-21.37069438 0.56916612 5.88399457
-0.00042017 0.00059762 -0.00019572
-0.02491533 0.02171200 0.00909091
-5.33650976 8.24518454 -26.75647679
-0.00138362 0.00032560 0.00055775
0.00568421 -0.00133026 0.03614297
-5.37784223 7.74646624 -23.77146729
0.00006872 0.00029873 0.00066304
0.02720214 -0.00631933 0.01951747
4.09026187 1.91995764 -2.25567806
0.00022437 0.00055307 0.00042333
0.02170185 -0.01073112 -0.00260858
1.85307770 0.25620303 -1.45752024
-0.00115503 0.00084222 -0.00028766
-0.00258773 -0.00692002 -0.00083585
14.91280902 7.69510460 5.91728955
-0.00049097 0.00001899 -0.00024295
-0.00767139 -0.00558486 -0.00932611
15.33573950 9.97553573 4.06125046
-0.00112707 -0.00036277 -0.00045890
-0.01862941 -0.04037956 -0.00119631
1.61814056 -11.72908480 -13.95558611
0.00024020 0.00012027 -0.00011382
0.01118094 0.00647945 0.00332972
-13.57973277 14.69238655 22.81810226
-0.00004776 0.00013319 0.00013741
-0.00317504 0.00059448 -0.00103699
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02473486
0.32921351
438.66049153
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3729512161 (a.u.)
total exchange computation time: 2.6902940273 s
-154.1956827995
-931.35653958
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3723597603 (a.u.)
total exchange computation time: 2.6910140514 s
-154.2012129224
Anderson extrapolation: theta=1.3418460025 (1.3418460025)
-931.35679104
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3714599224 (a.u.)
total exchange computation time: 2.6908040047 s
-154.2094337912
Anderson extrapolation: theta=0.0511791633 (0.0511791633)
-931.35693999
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3713305300 (a.u.)
total exchange computation time: 2.6906549931 s
-154.2105408662
Anderson extrapolation: theta=1.8906966790 (1.8906966790)
-931.35694526
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3710616942 (a.u.)
total exchange computation time: 2.6896698475 s
-154.2127967906
Anderson extrapolation: theta=0.2157509603 (0.2157509603)
-931.35695033
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3709974069 (a.u.)
total exchange computation time: 2.6916849613 s
-154.2132967166
Anderson extrapolation: theta=1.8705345118 (1.8705345118)
-931.35695120
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3708979868 (a.u.)
total exchange computation time: 2.6901321411 s
-154.2140238038
Anderson extrapolation: theta=0.2846150457 (0.2846150457)
-931.35695215
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3708910779 (a.u.)
total exchange computation time: 2.6905071735 s
-154.2140275572
Anderson extrapolation: theta=1.3068941866 (1.3068941866)
-931.35695236
-22.399540 -126.622949 -244.643764
-137.268956 458.419802 -806.304240
-159.668496 331.796853 -1050.948004
1113.586498
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1334559221
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3708981700 (a.u.)
total exchange computation time: 2.6897349358 s
678.90043826
-1084.03576205
89.76621712
-388.82363435
-174.79331327
78.46245719
551.60419304
0.00000000
-931.35695246
-9.16776116 -5.33181005 9.81385433
0.00009943 0.00014636 0.00020024
0.03591042 -0.01877961 0.02495572
-13.76296976 5.02634710 8.90798316
0.00005594 0.00000104 -0.00009730
-0.00425169 -0.02062634 0.00021732
-15.86718330 1.52717146 2.96779663
-0.00009902 -0.00008310 -0.00002604
-0.01379951 -0.01591272 0.02381306
2.32965082 -19.69316255 13.42031461
-0.00032530 -0.00009276 0.00018128
-0.03545401 0.05555188 -0.00958295
9.96315223 20.80945363 0.33671955
0.00048613 0.00012902 -0.00033335
-0.01062894 0.02644078 0.00932094
-11.26798243 12.80473197 15.19644044
-0.00021973 0.00020283 -0.00008296
0.01660351 0.03124733 0.02195176
-5.96218633 1.03254564 -12.86704467
0.00006108 -0.00023088 0.00025931
-0.00465646 0.00625438 -0.00213824
-8.88483391 6.76163673 -6.83854203
0.00004932 0.00014279 -0.00010386
0.00615005 -0.00214267 -0.02644381
-7.32520978 -3.78229418 18.01565810
0.00031123 -0.00002677 -0.00004936
-0.00475491 0.00398912 -0.02690495
-23.53423193 -7.65096327 -23.68524623
-0.00037394 -0.00024738 -0.00038844
-0.02656855 0.01861996 -0.00124653
8.58549361 13.27996897 6.67397393
0.00039468 0.00043198 0.00026005
0.02593081 -0.02825638 0.01637315
23.02171959 28.74628152 -2.96990425
-0.00035208 -0.00017406 0.00031346
0.00177700 0.00932937 -0.02330085
9.49657676 0.11199216 -14.69614696
0.00038181 0.00023040 -0.00022770
0.02912051 -0.00932542 -0.00053646
-9.17269020 -1.14264765 12.43430665
-0.00031734 -0.00037132 -0.00027960
-0.00865743 -0.04195085 -0.01001211
-2.17187024 -25.92378936 10.54285961
-0.00017018 -0.00006186 0.00005760
-0.01095846 -0.00562190 -0.00722258
-15.30335267 -4.13105438 -7.33785722
-0.00018313 -0.00018214 -0.00032770
-0.01209490 -0.01822141 -0.03017212
-19.41005333 -11.04632489 -18.25773408
0.00012543 -0.00020130 -0.00012924
-0.00054543 -0.03277928 0.00606698
21.01043143 5.43983661 4.70810799
-0.00033387 0.00022814 0.00011525
0.02128747 0.03886029 0.00158734
19.61702308 -11.49969269 -13.25008212
0.00069835 0.00014657 0.00001098
0.01780074 -0.01361876 -0.04131515
-3.27700676 -0.39994013 -6.53489269
-0.00020409 -0.00020781 0.00006249
0.01782380 0.01639303 -0.00397753
-3.65294338 -3.14822298 -17.60951814
0.00030147 0.00007472 -0.00002425
-0.00987361 0.04031883 0.02040461
14.28898928 16.41491682 -21.34775262
0.00009860 0.00013709 -0.00011992
-0.01491808 0.02738835 0.01337088
-14.55965457 17.74655725 -13.40280419
0.00007860 0.00025555 -0.00012723
-0.00115588 0.01258112 0.04209062
1.37546042 15.02194310 7.79630058
-0.00020039 -0.00016740 -0.00034988
-0.04234781 0.04598607 0.00883716
-4.30290244 -9.19380855 3.86289394
0.00039993 -0.00001611 -0.00027296
-0.00536335 -0.00422772 0.02019485
2.10944377 -5.15033781 2.30066194
-0.00006380 0.00009299 0.00007932
-0.04897269 -0.00288698 0.05827932
9.67231848 7.21727158 4.37620220
0.00002918 0.00005481 -0.00003361
-0.02715032 -0.00564140 -0.00018514
-9.32537146 -10.34489047 -2.56301079
-0.00005702 -0.00026725 0.00024557
0.02094848 -0.01807574 0.00867137
3.41425301 -15.61948917 -13.13815339
-0.00005825 0.00002411 -0.00006813
-0.02846970 -0.00303539 0.02419519
3.86150635 -5.71322253 -3.06275313
0.00009426 0.00007606 0.00032416
-0.03974460 0.02309791 -0.02025085
18.38482964 1.86464923 24.43803345
-0.00010178 -0.00019112 -0.00013520
-0.01191633 -0.00202075 0.00503597
-8.99290300 2.42177215 1.54488243
-0.00027239 -0.00034245 0.00005641
0.02012084 0.00264076 -0.00909668
-5.85630311 12.45373136 -9.74552540
0.00032154 -0.00045279 0.00019428
0.00129140 0.00215342 -0.00125980
1.61961234 13.32519747 -7.50868703
0.00007279 0.00014532 0.00029331
0.00314926 0.00547418 -0.02698259
-11.24151750 10.02955313 -12.51129388
-0.00039525 0.00007777 0.00004998
-0.00159887 0.04353061 0.01809326
7.84500811 3.84859103 14.65004275
-0.00004602 -0.00028428 0.00007508
-0.02426078 0.01181028 -0.00548969
-15.29716709 9.97249975 -7.65191863
0.00030535 0.00053776 0.00066138
-0.02363118 0.00810431 -0.00353855
8.51063614 7.65908618 -3.03612903
-0.00038773 -0.00022515 0.00007329
-0.03680374 0.00011161 -0.04977928
14.14552682 -20.68603586 -26.63870359
-0.00008782 0.00009435 0.00020762
0.01246594 0.01703070 -0.03890208
5.13304898 6.78239463 1.84211195
0.00005290 -0.00018125 0.00034401
-0.00377031 -0.01882818 -0.03935156
18.21179169 -5.84290420 -7.44467117
-0.00005515 0.00006871 0.00025183
0.00941034 -0.00812722 -0.01944782
-1.96993327 -2.19089007 -2.00238116
-0.00004974 -0.00019276 0.00015606
0.01545154 -0.02175222 0.00752597
2.81177755 -2.13765417 -12.02579787
0.00016404 -0.00023324 -0.00001071
0.01148143 -0.01241798 -0.00361471
19.77588384 9.09782351 -6.04431813
0.00019668 -0.00035544 0.00021357
-0.02593100 0.02463812 -0.00190154
-7.70176739 5.71023080 8.64417720
-0.00017984 0.00009014 -0.00036026
0.00592008 -0.01985548 -0.00496339
-1.71391998 -16.12047040 11.35523456
0.00010027 -0.00011289 -0.00008644
0.00197469 -0.01848490 0.01135918
7.62158123 -0.30325182 -4.74653668
0.00016299 0.00048643 0.00011716
0.01921594 0.00399113 0.05265891
-1.05577383 -12.25140640 0.70839104
-0.00011419 -0.00013616 0.00009287
-0.01706270 -0.00449425 -0.00586042
-20.02372974 -0.42445613 5.33769032
-0.00002558 0.00036744 0.00012997
0.03922922 -0.02696699 0.00645342
-6.39473244 8.01926891 -25.19133018
0.00029149 0.00024575 -0.00027277
-0.01194940 0.00242832 -0.01669848
2.34092491 1.94057889 -1.89377718
-0.00025317 -0.00018607 -0.00010166
-0.00622836 0.01295068 0.00036251
14.59173164 8.18519358 4.14769898
-0.00014013 0.00006337 0.00009276
0.02590296 0.04615022 0.00099564
-8.10824582 -6.87667273 10.17941777
0.00041251 -0.00080749 -0.00045997
-0.02382497 0.02352545 -0.01283922
-10.36349332 -5.60263994 8.50899658
-0.00018900 0.00017375 0.00063135
-0.00790235 -0.01460485 -0.01258851
-13.19912401 5.65104932 7.26738990
-0.00031518 -0.00113776 -0.00075552
0.00254366 0.00278585 -0.00168135
-13.46555813 3.16822150 8.83521793
0.00107366 -0.00014979 0.00104072
-0.00241468 0.02077859 -0.00039050
-14.50382725 1.52607631 4.25495795
0.00055611 0.00002996 0.00003139
-0.02066914 0.00341638 -0.00662749
-17.47308425 0.77337365 3.83829074
-0.00024688 -0.00008058 0.00083525
0.03238735 0.01574122 -0.01453592
2.40592411 -21.31843184 12.87852902
-0.00070950 0.00004292 -0.00049395
0.00176890 -0.06607570 -0.03684228
3.35546620 -19.78476524 14.81822567
0.00111728 -0.00011890 0.00045627
0.03116759 0.00894769 0.04367738
9.17963434 19.21690884 -0.00777150
-0.00040039 -0.00035613 -0.00032311
-0.00214272 -0.02043136 0.00288691
8.73711038 21.71951619 1.46172070
-0.00014590 -0.00087688 -0.00047646
0.00702566 -0.01119905 -0.01742519
-10.45865370 12.07318290 16.77589358
0.00047310 -0.00023315 0.00058733
-0.00992792 0.00860161 -0.00942026
-11.22940939 14.64006108 15.69922210
0.00050971 -0.00062980 0.00042917
-0.00444288 -0.03196316 -0.01377161
-6.02359645 0.13987758 -14.47274118
-0.00026955 0.00020664 0.00017845
-0.00412289 -0.00174831 0.01428701
-7.20553721 0.38795575 -11.58317612
-0.00042329 0.00056407 -0.00146615
0.01119567 -0.00786645 -0.01445986
-7.83352414 8.25628669 -6.88387276
0.00064093 -0.00025052 -0.00106614
-0.00528878 -0.00694008 -0.00527682
-9.76782205 6.95422283 -5.28934774
-0.00004229 0.00148474 0.00026843
-0.01174849 0.00204928 0.01720370
-7.62539658 -1.97958743 17.93366743
0.00036446 -0.00143627 -0.00006004
0.00270466 -0.00012749 0.00265280
-7.13239873 -4.23648089 19.74489909
-0.00010732 -0.00007037 -0.00061006
-0.00319767 -0.00886781 0.02060788
-24.53362202 -6.06839608 -23.64206251
0.00110156 0.00093704 -0.00084259
0.00501637 -0.01776967 -0.00043401
-21.90516277 -6.91168712 -23.88353541
-0.00006796 -0.00004495 -0.00073709
0.02177489 0.00088444 -0.00153777
8.67061422 13.11346752 4.88158790
0.00002066 0.00026828 -0.00106269
-0.00290210 0.00698638 -0.01880511
9.74613068 11.84512463 7.29192165
0.00051519 0.00061464 0.00023081
-0.02766023 0.02794843 0.00344779
24.15482377 27.39096952 -2.59862997
0.00011270 -0.00058324 -0.00002494
-0.00675005 -0.00995681 0.00349903
22.61716909 29.59629431 -1.43824505
-0.00108757 -0.00118294 0.00050640
-0.00581432 0.01102326 0.01581802
11.18380984 -0.59534311 -14.20211454
-0.00025414 0.00132679 0.00052362
-0.03258487 0.01437651 -0.00633968
8.37797356 -1.34838502 -14.59032050
0.00020749 0.00005049 0.00062972
0.00573632 -0.00332402 0.00699447
-9.63820028 -1.38776134 14.14410041
0.00041546 0.00033411 0.00037695
-0.00299486 0.01677432 0.02458170
-9.36096463 -3.00069453 11.93670677
0.00064343 0.00016790 -0.00058785
0.00961887 0.03039660 -0.01418555
-3.23070020 -26.53377814 11.99225818
0.00052355 -0.00007818 -0.00026659
0.00954112 0.00468921 -0.01389581
-3.31915532 -25.58670937 9.13669187
0.00029290 0.00066237 -0.00045035
0.00690361 0.00043606 0.00846439
-14.95036791 -2.46149332 -6.67194222
-0.00035737 0.00023741 -0.00075645
0.00661279 0.00945233 0.00964191
-16.10279663 -3.81020445 -8.96824611
-0.00018241 -0.00020109 -0.00033441
0.00137920 -0.00223882 0.01315894
-19.13257076 -9.50065464 -19.08472430
-0.00064230 0.00126734 0.00017632
0.00540000 0.03099207 -0.00987151
-18.21684220 -12.23555531 -19.01069248
-0.00040998 -0.00061583 0.00050823
-0.00176691 -0.00045502 0.00332008
22.49038722 6.29191222 3.98161840
-0.00018823 0.00050477 0.00056445
0.00085202 -0.02562456 -0.00508325
20.38894220 7.03337890 5.38992925
-0.00038243 0.00096565 0.00000424
-0.01974333 -0.01447199 0.00561875
18.57181465 -11.13509102 -11.84975137
-0.00052530 -0.00018219 0.00092228
-0.02539928 0.01410800 0.01768163
19.01363608 -10.61608724 -14.75775744
0.00069735 0.00057592 0.00008330
-0.00501988 0.00302070 0.01606360
-1.71869873 0.59649172 -6.63816501
-0.00051388 -0.00046263 0.00074372
-0.01093233 -0.00463039 -0.00355703
-4.58873420 0.83628898 -6.20329047
0.00089899 0.00090740 0.00001793
0.00120464 -0.00655148 0.00265299
-3.23276156 -4.38743570 -18.79004070
-0.00066978 0.00044666 -0.00073411
0.00784472 -0.01879995 -0.02161163
-3.68451914 -1.49537791 -18.49627895
0.00006279 0.00041911 -0.00014351
0.00271061 -0.01248360 0.00313135
14.01721920 17.99328601 -20.37757220
0.00113790 0.00048099 -0.00075901
0.00969610 -0.01947792 -0.00902916
12.49226698 15.88467715 -21.50014770
-0.00020803 -0.00057579 0.00062979
0.01114990 -0.00469967 -0.00267174
-13.97092513 17.09675452 -11.74899015
-0.00039146 0.00038967 -0.00096758
-0.00497483 0.01469183 -0.01523242
-14.46095943 16.22956884 -14.35032424
0.00067280 0.00084951 0.00018304
0.00084181 -0.03325897 -0.02620431
1.93042878 15.95453586 6.31314681
-0.00044567 0.00047078 -0.00000043
0.00279689 -0.01075937 0.00040414
-0.12225843 16.18863623 8.38377862
-0.00003727 0.00057837 -0.00123955
0.03843842 -0.03923707 -0.00710681
-4.52992470 -7.93974167 2.59326460
0.00037299 0.00006710 0.00064110
-0.01157277 0.00869322 -0.00777657
-3.23116107 -10.39542053 3.05518417
-0.00058400 0.00023131 0.00023146
0.01182642 -0.01335258 -0.01204716
1.33241703 -3.72079032 3.26816897
0.00137333 -0.00031827 -0.00114614
0.01421348 -0.01840705 -0.01629042
3.21657407 -4.38490784 1.21327472
-0.00055595 0.00025095 0.00102073
0.03692771 0.02175921 -0.03682892
8.09769081 7.59855439 3.43008167
-0.00078826 -0.00044933 -0.00123824
0.02165008 -0.00703460 0.00261057
11.18389937 7.87139091 3.60311508
0.00044092 0.00031143 -0.00052245
0.00700753 0.00546688 -0.00140302
-7.92569607 -11.60729965 -2.14509953
-0.00163371 -0.00050623 0.00028462
-0.02511385 0.01523792 -0.01425558
-10.26842959 -9.96440064 -1.05050965
0.00027193 0.00016999 0.00105741
-0.00343740 0.00455008 0.00022676
5.17141768 -16.24696700 -13.37523502
-0.00072919 -0.00105683 -0.00143225
-0.01194432 -0.00432401 0.02010759
2.36889250 -16.29742136 -11.63250914
-0.00065510 0.00022738 0.00018183
0.04155413 0.00718937 -0.04221192
4.42373902 -4.68185260 -4.50666214
-0.00072795 -0.00028690 0.00066544
0.01190700 -0.01558391 0.01552522
5.18276905 -6.61396494 -2.28327902
0.00082579 -0.00009219 0.00062357
0.03121566 -0.00909057 0.00479594
16.67138373 2.55142103 24.58854058
-0.00021249 -0.00074530 0.00032128
-0.00192822 -0.01121508 -0.01031592
19.32171364 3.21050216 25.24998895
0.00029586 0.00047018 -0.00080964
0.01178626 0.00255868 0.00050278
-9.56691646 0.69326722 1.32943427
-0.00008708 -0.00037931 -0.00026084
-0.01215702 0.00646101 0.00834313
-9.95775614 3.39812940 2.73228776
0.00009305 0.00003014 -0.00022175
-0.00892256 -0.00444058 0.00023311
-5.04829730 13.71666735 -8.60618559
-0.00028967 0.00022477 -0.00037278
-0.00508442 -0.00670531 -0.00435097
-7.56135235 12.17937142 -9.16824355
0.00049818 -0.00027601 -0.00093804
-0.00346060 0.00167825 0.00268606
1.41314928 11.67735515 -6.79657965
-0.00021794 0.00013384 -0.00061324
-0.00544991 0.00400498 0.01640263
2.23563678 14.55242244 -6.31809826
0.00078276 -0.00054947 -0.00058313
0.00326086 -0.01153362 0.01317692
-10.83702919 8.38575750 -12.94983100
-0.00024388 -0.00078847 0.00058000
0.00914100 -0.04566813 -0.00975488
-11.69011585 9.99269807 -10.73448316
0.00033867 -0.00038221 -0.00030182
-0.00314826 0.00033744 -0.00722894
7.20438681 5.30985876 13.64335298
-0.00090945 -0.00041423 0.00102835
0.02331865 -0.02221991 0.01358293
9.63898126 3.66061738 14.55872249
0.00020735 -0.00036153 -0.00007295
0.00542770 0.01365151 -0.01199267
-14.21174128 11.46644426 -7.44778832
-0.00006443 0.00060578 -0.00108023
0.00600785 -0.00419957 0.00138000
-16.97534356 10.70289479 -7.99792584
0.00019822 -0.00048869 -0.00016243
0.01623190 -0.00740002 0.00328658
9.22335568 9.25184722 -2.70452444
-0.00000995 -0.00036852 -0.00105437
0.01924573 0.02360400 0.01971472
7.60227570 8.26188153 -4.67227249
-0.00034356 0.00048450 -0.00015678
0.01559829 -0.02336622 0.03182207
14.46372808 -19.04079187 -27.51390214
-0.00020085 0.00026521 -0.00036478
-0.01010906 -0.01801893 0.01393070
13.61422339 -20.26371169 -24.99229708
0.00072081 0.00018756 0.00041740
-0.00557965 0.01168019 0.02611766
5.05876711 4.90624502 1.95287586
0.00061096 -0.00109541 0.00007105
0.00586638 0.01376298 0.01330400
5.41264625 6.92716423 -0.02884486
0.00004105 0.00014926 -0.00038268
0.00269285 0.00922336 0.02630281
19.89353341 -5.41333395 -6.94516429
-0.00119713 0.00130757 -0.00000080
0.00456931 -0.00478306 0.00844612
17.04913640 -4.97254285 -6.36256106
-0.00019706 0.00027548 -0.00011091
-0.01403524 0.01293636 0.01994995
-2.55707874 -0.74479361 -1.15898083
0.00015017 0.00001805 -0.00055203
-0.01004366 0.02250082 0.02445087
-2.38951069 -1.74056768 -3.70388127
-0.00098806 -0.00037808 0.00115834
-0.00670311 -0.00044783 -0.02084075
3.90050687 -3.55961948 -12.52438547
-0.00063185 0.00053190 -0.00003985
-0.00273558 0.00874229 0.00532610
1.15213341 -2.91703712 -11.81986314
0.00004014 -0.00005686 -0.00001908
-0.00577462 0.00375828 0.00139850
19.89171883 8.71437603 -7.78210354
0.00013460 0.00026825 -0.00030005
-0.00118654 -0.00644861 -0.02441749
20.97452171 8.02365689 -5.29834150
0.00049669 -0.00087144 0.00018088
0.02593068 -0.02430624 0.02283961
-7.22785571 3.85906683 8.72041796
-0.00021897 -0.00150479 -0.00063000
-0.00427883 0.01494627 -0.00454346
-6.81672629 6.29441445 10.09129368
0.00049951 -0.00033050 -0.00055288
0.00149627 0.01109436 0.01387416
-1.80825529 -17.95467156 11.57506783
0.00093401 -0.00002710 0.00003178
0.00287451 0.01339265 0.00044950
-2.76782472 -15.79398804 9.93008399
0.00033177 -0.00034696 -0.00005540
-0.00263491 0.00531142 -0.01017815
8.59298697 -0.32157819 -3.08550722
-0.00012679 0.00022757 -0.00109425
-0.01668277 -0.00442847 -0.03008570
7.71409503 1.40790147 -5.34452135
0.00035137 0.00051549 -0.00075784
-0.00167466 0.01353173 -0.00956804
0.26405081 -11.97695054 1.93148649
-0.00021890 -0.00014035 0.00001234
0.01013389 0.00811596 0.00397021
-1.30776861 -10.63087420 -0.18133723
-0.00078205 -0.00054727 0.00041038
0.00569212 -0.00183992 -0.00066532
-19.22130994 -1.04085291 6.96269226
0.00001429 0.00133486 -0.00015695
-0.02072201 0.00964231 -0.01474814
-21.37776040 0.57879580 5.88133736
-0.00051612 0.00068202 -0.00016117
-0.02205470 0.01960090 0.00782160
-5.35708990 8.25002784 -26.74700303
-0.00134875 0.00032164 0.00069177
0.01138732 -0.00061074 0.02946299
-5.37597785 7.75075354 -23.76092355
0.00017307 0.00027537 0.00073081
0.02387603 -0.00511502 0.01365522
4.09429239 1.92792479 -2.24940798
0.00030527 0.00050698 0.00041490
0.01790189 -0.01182785 -0.00151834
1.83567295 0.26862430 -1.46186070
-0.00116665 0.00080199 -0.00028850
-0.00309800 -0.01277405 0.00042183
14.90520935 7.69521830 5.91335949
-0.00052105 -0.00000450 -0.00027589
-0.00705183 -0.00591132 -0.00679529
15.31826255 9.96885686 4.05433033
-0.00119914 -0.00052073 -0.00046273
-0.01664884 -0.03694592 -0.00067872
1.62177361 -11.72726330 -13.95728445
0.00024424 0.00012258 -0.00011263
0.01137404 0.00642564 0.00332482
-13.58045473 14.69438545 22.82016165
-0.00004848 0.00013333 0.00013718
-0.00299821 0.00057146 -0.00100513
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02475382
0.33219863
442.63802491
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1343645214
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3759020288 (a.u.)
total exchange computation time: 2.6302850246 s
-154.2025939849
-931.36058800
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1343645214
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3752754054 (a.u.)
total exchange computation time: 2.6295490265 s
-154.2082105494
Anderson extrapolation: theta=1.3914243759 (1.3914243759)
-931.36084072
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1343645214
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3742516543 (a.u.)
total exchange computation time: 2.6338701248 s
-154.2169828955
Anderson extrapolation: theta=0.0711679643 (0.0711679643)
-931.36100385
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1343645214
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3740615607 (a.u.)
total exchange computation time: 2.6318221092 s
-154.2183913401
Anderson extrapolation: theta=2.4274845662 (2.0000000000)
-931.36101434
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1343645214
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3736462278 (a.u.)
total exchange computation time: 2.6321711540 s
-154.2213592426
Anderson extrapolation: theta=0.4900894326 (0.4900894326)
-931.36102929
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1343645214
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3734494606 (a.u.)
total exchange computation time: 2.6331079006 s
-154.2226560225
Anderson extrapolation: theta=0.9306008265 (0.9306008265)
-931.36103442
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1343645214
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3733025536 (a.u.)
total exchange computation time: 2.6311628819 s
-154.2235049649
Anderson extrapolation: theta=0.6262744490 (0.6262744490)
-931.36103795
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1343645214
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3732520607 (a.u.)
total exchange computation time: 2.6326789856 s
-154.2236686575
Anderson extrapolation: theta=0.6920173090 (0.6920173090)
-931.36103951
-22.429447 -126.633612 -244.656290
-137.277616 458.422049 -806.358759
-159.707064 331.788437 -1051.015049
1113.652794
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1343645214
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3732509292 (a.u.)
total exchange computation time: 2.6843869686 s
678.91743189
-1084.07361544
89.76255649
-388.79772991
-174.79643231
78.48695430
551.60419304
0.00000000
-931.36104021
-9.16613114 -5.32968706 9.81695419
0.00011869 0.00013566 0.00021323
0.03896913 -0.02284894 0.02556663
-13.76214705 5.02628311 8.90652447
0.00005394 -0.00000998 -0.00009736
-0.00352609 -0.02222071 -0.00044929
-15.86872189 1.52586354 2.96749789
-0.00010593 -0.00009141 -0.00001302
-0.01306172 -0.01640004 0.02680872
2.32463460 -19.69433967 13.42299678
-0.00034184 -0.00006470 0.00017862
-0.02889270 0.05355431 -0.00072598
9.97040324 20.81149098 0.33175520
0.00047974 0.00014076 -0.00032890
-0.01421906 0.01920084 0.00799038
-11.27121435 12.80789500 15.19528066
-0.00021042 0.00021740 -0.00007072
0.01960309 0.02540065 0.02565394
-5.96128813 1.02910649 -12.86316330
0.00005955 -0.00022696 0.00025718
-0.00127882 0.00901813 -0.00614991
-8.88407040 6.76377026 -6.84020191
0.00005189 0.00014182 -0.00011643
0.00386416 -0.00163358 -0.02245761
-7.32055973 -3.78268033 18.01481386
0.00030913 -0.00002707 -0.00006407
-0.00338415 -0.00515549 -0.03029930
-23.53994344 -7.65460217 -23.69107758
-0.00038672 -0.00023679 -0.00038918
-0.02315808 0.02254802 -0.00164373
8.59151376 13.28633973 6.67793789
0.00040803 0.00041745 0.00026574
0.02601624 -0.02824340 0.00571884
23.01644517 28.74370663 -2.96529222
-0.00035039 -0.00017018 0.00030146
0.00482303 0.00577343 -0.02336199
9.50241625 0.11541219 -14.69956454
0.00039530 0.00022576 -0.00022818
0.02331951 -0.00870812 -0.00132563
-9.17748367 -1.14837929 12.43007402
-0.00032181 -0.00039202 -0.00028384
-0.00872076 -0.03854611 -0.00646097
-2.17446514 -25.92473888 10.54369578
-0.00017524 -0.00006426 0.00005281
-0.00874345 -0.00373375 -0.01140718
-15.30614630 -4.13385672 -7.34288916
-0.00018924 -0.00019090 -0.00034299
-0.01164648 -0.01584713 -0.02928678
-19.40817398 -11.04947087 -18.25964923
0.00012477 -0.00021567 -0.00012666
-0.00202967 -0.02307093 0.00395992
21.00550552 5.44340859 4.70984286
-0.00032323 0.00024911 0.00011644
0.02009933 0.04269626 0.00303196
19.62756697 -11.49754674 -13.25007672
0.00070561 0.00014026 -0.00000802
0.01044431 -0.01091048 -0.03258904
-3.27999932 -0.40299400 -6.53397072
-0.00019560 -0.00019953 0.00006058
0.01519037 0.01581283 -0.00345644
-3.64845947 -3.14694670 -17.60980314
0.00029649 0.00009584 -0.00001411
-0.00948677 0.04183541 0.01900465
14.29041071 16.41707874 -21.34949981
0.00009060 0.00015054 -0.00011335
-0.01616746 0.02492854 0.01216744
-14.55847999 17.75043897 -13.40455032
0.00007747 0.00026348 -0.00010638
-0.00323451 0.01828943 0.03900412
1.37229124 15.01960942 7.79108654
-0.00022227 -0.00014337 -0.00034552
-0.04272860 0.04747086 0.00811459
-4.29692421 -9.19406657 3.85887748
0.00039611 -0.00001778 -0.00026078
-0.00947747 -0.00223551 0.02714214
2.10829788 -5.14895411 2.30207657
-0.00008907 0.00008926 0.00010913
-0.04928832 -0.01161222 0.05764235
9.67265151 7.21807202 4.37569727
0.00001483 0.00005268 -0.00003522
-0.02868079 -0.00264074 -0.00606711
-9.32614592 -10.34896888 -2.55929383
-0.00004785 -0.00027558 0.00025088
0.01468588 -0.01435103 0.01197300
3.41326938 -15.61913931 -13.13908201
-0.00007334 0.00002257 -0.00005551
-0.03020022 -0.00294769 0.02488218
3.86276688 -5.71199251 -3.05796878
0.00007473 0.00008626 0.00031561
-0.03618619 0.01656370 -0.01302515
18.38325691 1.86177462 24.43602489
-0.00010734 -0.00019175 -0.00013232
-0.00967223 -0.00042960 0.00615538
-8.99691129 2.41664560 1.54569349
-0.00026163 -0.00034121 0.00005146
0.02173282 0.00219094 -0.01017070
-5.85147505 12.44694789 -9.74261611
0.00032315 -0.00045165 0.00019308
0.00497407 0.00227769 -0.00339920
1.62071639 13.32739844 -7.50439154
0.00007390 0.00014766 0.00027797
0.00116418 0.00361719 -0.03263880
-11.24745247 10.03088763 -12.51047433
-0.00039529 0.00009803 0.00005795
0.00147224 0.03525490 0.01288197
7.84422424 3.84437236 14.65114782
-0.00005784 -0.00027884 0.00007266
-0.02168750 0.00935290 -0.00392257
-15.29267800 9.98059736 -7.64201157
0.00029308 0.00054126 0.00065951
-0.02409506 0.00552688 -0.00371970
8.50467820 7.65570943 -3.03522168
-0.00040688 -0.00022507 0.00004738
-0.03767764 0.00019717 -0.05097735
14.14425757 -20.68455486 -26.63573936
-0.00008134 0.00010350 0.00018734
0.01272402 0.01855122 -0.03997522
5.13382790 6.77960320 1.84712029
0.00005110 -0.00019204 0.00032288
-0.00320309 -0.02313090 -0.04283029
18.21100073 -5.84190484 -7.44096874
-0.00005199 0.00006422 0.00024151
0.00286698 -0.00935806 -0.02067094
-1.97061977 -2.19386532 -2.00001117
-0.00004143 -0.00020435 0.00016103
0.01684852 -0.02334696 0.01180011
2.81428244 -2.14120062 -12.02597252
0.00016868 -0.00023825 -0.00001206
0.00657196 -0.00706517 -0.00162610
19.77873398 9.09258688 -6.04112188
0.00018430 -0.00034363 0.00021219
-0.02219024 0.02130665 -0.00345703
-7.70444222 5.71150637 8.63875414
-0.00017637 0.00007809 -0.00036273
0.00757484 -0.02703957 -0.00462303
-1.71240837 -16.12223505 11.35398173
0.00010161 -0.00012217 -0.00008029
0.00326902 -0.01758918 0.01258120
7.62410025 -0.29593992 -4.74457618
0.00017199 0.00048893 0.00014238
0.01575513 0.00572630 0.04540798
-1.05755243 -12.25346613 0.70976152
-0.00012310 -0.00013914 0.00009004
-0.01761188 -0.00710476 -0.00514581
-20.02396219 -0.41904849 5.33966482
-0.00000662 0.00035461 0.00013307
0.03450088 -0.02293289 0.00560140
-6.39040625 8.02296459 -25.19548617
0.00028457 0.00024627 -0.00027758
-0.01494594 -0.00041280 -0.00198763
2.33710339 1.93783786 -1.89530067
-0.00025503 -0.00017773 -0.00010208
-0.00101698 0.01946010 -0.00198628
14.58972964 8.18632220 4.14909417
-0.00012753 0.00008607 0.00009245
0.02307162 0.04210496 -0.00218863
-8.10278820 -6.88806413 10.17212473
0.00031060 -0.00070365 -0.00051299
-0.02606135 0.02730556 -0.01311039
-10.36657046 -5.60048130 8.51808103
-0.00022254 0.00011423 0.00057855
-0.00851478 -0.01452878 -0.01325764
-13.20377380 5.63406825 7.25600559
-0.00030490 -0.00112574 -0.00076099
0.00249088 0.00310018 -0.00099873
-13.44952728 3.16661132 8.85081683
0.00106230 -0.00006216 0.00103862
-0.00314226 0.02211871 -0.00063961
-14.49611891 1.52663040 4.25522575
0.00046742 0.00004376 0.00000002
-0.02274678 0.00334017 -0.00873146
-17.47579495 0.77264738 3.85037404
-0.00011239 -0.00001490 0.00077358
0.03344519 0.01640486 -0.01564925
2.39533577 -21.31981285 12.86999073
-0.00070188 -0.00022200 -0.00064159
0.00196204 -0.06360421 -0.03542437
3.37318047 -19.78627451 14.82640819
0.00122996 -0.00008334 0.00061363
0.02399158 0.00845825 0.03334984
9.17356277 19.21094087 -0.01252969
-0.00040171 -0.00042840 -0.00030998
0.00149868 -0.01494923 0.00354254
8.73513719 21.70601975 1.45403986
-0.00011693 -0.00091915 -0.00054574
0.00715481 -0.00949182 -0.01648714
-10.45186146 12.06994927 16.78441489
0.00042781 -0.00019497 0.00054064
-0.01224286 0.01008692 -0.01343727
-11.22189985 14.62963457 15.70523757
0.00049083 -0.00075097 0.00037397
-0.00479775 -0.02734688 -0.01324909
-6.02776604 0.14292362 -14.46962658
-0.00028584 0.00019859 0.00023412
-0.00385051 -0.00219037 0.01296302
-7.21154343 0.39617573 -11.60561154
-0.00038527 0.00052769 -0.00151468
0.00741280 -0.00994025 -0.00929197
-7.82407220 8.25231616 -6.90002652
0.00061919 -0.00027910 -0.00108769
-0.00535603 -0.00704869 -0.00527504
-9.76881641 6.97655671 -5.28479411
-0.00008528 0.00149188 0.00033013
-0.00929524 0.00144692 0.01299943
-7.61984680 -2.00113531 17.93284805
0.00037161 -0.00141487 -0.00005046
0.00079429 0.01059927 0.00203665
-7.13410658 -4.23780819 19.73637974
-0.00011950 -0.00010952 -0.00051741
-0.00276031 -0.01029415 0.02474208
-24.51694483 -6.05488503 -23.65471461
0.00111983 0.00086186 -0.00084354
0.00392527 -0.01903003 -0.00003393
-21.90551489 -6.91233427 -23.89463889
0.00001624 -0.00004666 -0.00074282
0.01943893 -0.00172375 -0.00126821
8.67083514 13.11770586 4.86507130
0.00000832 0.00029821 -0.00111719
-0.00313459 0.00766093 -0.00787341
9.75301090 11.85520067 7.29548943
0.00040260 0.00072739 0.00024410
-0.02745164 0.02724196 0.00305774
24.15630743 27.38191576 -2.59889684
0.00007907 -0.00061724 -0.00001215
-0.00971217 -0.00668698 0.00276344
22.60067730 29.57888794 -1.43016431
-0.00111141 -0.00113721 0.00057241
-0.00585314 0.01136409 0.01649450
11.17899917 -0.57500075 -14.19445443
-0.00037804 0.00138048 0.00049989
-0.02806346 0.01190737 -0.00528046
8.38126171 -1.34772957 -14.58066032
0.00023388 0.00003994 0.00065788
0.00717993 -0.00183887 0.00679073
-9.63206019 -1.38223570 14.15050785
0.00040483 0.00040151 0.00046911
-0.00220483 0.01621983 0.02053499
-9.35101848 -2.99724465 11.92745430
0.00068061 0.00028643 -0.00064424
0.00858202 0.02762505 -0.01341798
-3.22255453 -26.53480709 11.98783352
0.00055692 -0.00006100 -0.00031907
0.00679393 0.00371806 -0.01179281
-3.31455027 -25.57676041 9.13019602
0.00032197 0.00066270 -0.00041200
0.00732487 -0.00027634 0.01030563
-14.95552589 -2.45764244 -6.68299355
-0.00033083 0.00027230 -0.00071737
0.00637935 0.00762317 0.00948939
-16.10549051 -3.81328943 -8.97285908
-0.00017709 -0.00021077 -0.00028126
0.00122437 -0.00249960 0.01285803
-19.14203985 -9.48069477 -19.08238198
-0.00062150 0.00137416 0.00014407
0.00478259 0.02129326 -0.00591398
-18.22304603 -12.24480667 -19.00296724
-0.00041306 -0.00061782 0.00051784
0.00026088 -0.00052105 0.00138032
22.48758995 6.29869853 3.98992939
-0.00018460 0.00039948 0.00054360
0.00092424 -0.02591496 -0.00512531
20.38260077 7.04742023 5.39016501
-0.00046076 0.00089915 0.00002416
-0.01860021 -0.01808037 0.00413194
18.56315680 -11.13739156 -11.83537541
-0.00061507 -0.00012922 0.00097543
-0.01854070 0.01181968 0.00833505
19.02394245 -10.60735586 -14.75601570
0.00067716 0.00058733 0.00015014
-0.00485961 0.00256543 0.01665372
-1.72674198 0.58941031 -6.62711814
-0.00054982 -0.00047899 0.00072788
-0.00665928 -0.00337792 -0.00419699
-4.57521236 0.84969923 -6.20294025
0.00090105 0.00087975 0.00002883
-0.00019856 -0.00698399 0.00268496
-3.24256785 -4.38131196 -18.80171458
-0.00063834 0.00037029 -0.00082173
0.00754680 -0.01858256 -0.02127905
-3.68349428 -1.48947377 -18.49833563
0.00007392 0.00036504 -0.00012838
0.00274174 -0.01398444 0.00427367
14.03458482 17.99990402 -20.38923404
0.00117485 0.00040305 -0.00079436
0.00839095 -0.01867572 -0.00827668
12.48948817 15.87589628 -21.49078278
-0.00015764 -0.00059117 0.00062008
0.01351766 -0.00282763 -0.00207758
-13.97694946 17.10304973 -11.76397059
-0.00040763 0.00044611 -0.00101691
-0.00294043 0.01293541 -0.00891784
-14.45084159 16.24129232 -14.34838156
0.00067639 0.00070613 0.00006956
0.00091450 -0.03692527 -0.02934600
1.92382943 15.96126782 6.31315275
-0.00043213 0.00042581 -0.00000012
0.00383293 -0.01125366 -0.00025178
-0.12163965 16.19610939 8.36496761
0.00011835 0.00041631 -0.00126575
0.03774175 -0.04009233 -0.00571736
-4.52468446 -7.93846884 2.60264284
0.00032508 0.00010885 0.00060247
-0.01187910 0.01174567 -0.01113424
-3.23955862 -10.39236007 3.05828683
-0.00052670 0.00016676 0.00017509
0.01621846 -0.01824243 -0.01554444
1.35345251 -3.72612841 3.25047767
0.00141985 -0.00038041 -0.00119970
0.00855686 -0.01201151 -0.00992673
3.20936639 -4.38047685 1.22745714
-0.00039334 0.00034423 0.00085865
0.04267008 0.02390329 -0.04251238
8.08653027 7.59159889 3.41158806
-0.00068895 -0.00048072 -0.00122018
0.02696304 -0.00833352 0.00622957
11.19072785 7.87622993 3.59523534
0.00046115 0.00032958 -0.00052350
0.00289810 0.00341427 0.00089040
-7.95097128 -11.61442614 -2.14126707
-0.00172712 -0.00044969 0.00022784
-0.02061311 0.01243844 -0.01353906
-10.26445604 -9.96171143 -1.03464158
0.00026138 0.00018713 0.00104978
-0.00172374 0.00384190 -0.00395870
5.16011388 -16.26295201 -13.39610261
-0.00077697 -0.00107442 -0.00134852
-0.01144736 -0.00428576 0.02088080
2.36033932 -16.29379040 -11.63107513
-0.00048311 0.00025681 0.00000685
0.04263931 0.00721730 -0.04344422
4.41318465 -4.68663357 -4.49620484
-0.00067573 -0.00034475 0.00072104
0.01365405 -0.01273700 0.01169239
5.19611243 -6.61562635 -2.27377850
0.00094210 -0.00012147 0.00063642
0.02571940 -0.00524072 0.00149418
16.66813727 2.53989780 24.59304364
-0.00022101 -0.00078993 0.00027936
-0.00224226 -0.01063156 -0.01020504
19.32651271 3.21763332 25.23785968
0.00033993 0.00047653 -0.00080993
0.00978500 0.00054846 -0.00064448
-9.56859515 0.68777549 1.32577739
-0.00013773 -0.00035248 -0.00022617
-0.01263797 0.00667300 0.00862838
-9.95663385 3.39844548 2.72896869
0.00005457 0.00001277 -0.00021902
-0.00991171 -0.00406512 0.00110370
-5.05279809 13.71983350 -8.61191061
-0.00030913 0.00019829 -0.00038887
-0.00444398 -0.00625771 -0.00352501
-7.55398570 12.17528276 -9.18223187
0.00047592 -0.00027045 -0.00092422
-0.00743761 0.00104113 0.00407949
1.40971312 11.67948544 -6.80527559
-0.00024052 0.00014608 -0.00054363
-0.00560180 0.00198526 0.01767051
2.24747810 14.54382692 -6.32644139
0.00080017 -0.00058868 -0.00052069
0.00526379 -0.00765719 0.01738773
-10.84040735 8.37253111 -12.94142998
-0.00021021 -0.00095962 0.00054257
0.00734252 -0.03811573 -0.00856557
-11.68513228 9.98697525 -10.73923194
0.00032331 -0.00037931 -0.00032279
-0.00436853 0.00108415 -0.00303647
7.19145964 5.30296443 13.65919451
-0.00081425 -0.00050093 0.00108054
0.02328069 -0.02021973 0.01196231
9.64225783 3.65561272 14.55726071
0.00022461 -0.00030415 -0.00012212
0.00301927 0.01443662 -0.01207331
-14.21252364 11.47540228 -7.46394952
-0.00003737 0.00059216 -0.00107304
0.00723609 -0.00246680 0.00214162
-16.97187287 10.69533773 -8.00026156
0.00026246 -0.00051766 -0.00014880
0.01521593 -0.00678311 0.00338423
9.22379625 9.24704275 -2.71973592
0.00007052 -0.00026988 -0.00097233
0.02014315 0.02467913 0.02044413
7.59760023 8.26843308 -4.67364900
-0.00028063 0.00038782 -0.00002897
0.01520577 -0.02396071 0.03073860
14.46040562 -19.03736593 -27.51894700
-0.00024299 0.00018826 -0.00030509
-0.01052321 -0.01964792 0.01528963
13.62486457 -20.26054040 -24.98523571
0.00069839 0.00023558 0.00052313
-0.00539579 0.01182589 0.02563780
5.06811132 4.89023554 1.95434923
0.00063537 -0.00102944 0.00012457
0.00608016 0.01853033 0.01289508
5.41334447 6.92968575 -0.03377907
0.00005074 0.00018574 -0.00026730
0.00205066 0.00863603 0.03017528
19.87571646 -5.39386694 -6.94491743
-0.00116450 0.00129093 0.00003699
0.01140198 -0.00336510 0.01004943
17.04575040 -4.96801419 -6.36361343
-0.00025494 0.00032736 -0.00003063
-0.01429641 0.01245998 0.01935085
-2.55513392 -0.74383341 -1.16651200
0.00010848 0.00011232 -0.00044847
-0.01036583 0.02364847 0.02624179
-2.40453702 -1.74625258 -3.68714480
-0.00101735 -0.00037901 0.00106060
-0.00763226 -0.00000942 -0.02700165
3.89094528 -3.55137303 -12.52481994
-0.00063417 0.00055636 -0.00002204
0.00160272 0.00322795 0.00339061
1.15255851 -2.91777485 -11.82010647
0.00001704 -0.00004115 -0.00001316
-0.00553316 0.00393274 0.00149986
19.89370149 8.71820213 -7.78735248
0.00012989 0.00024321 -0.00039169
-0.00111839 -0.00580772 -0.02044420
20.98276660 8.00984046 -5.29492837
0.00059529 -0.00096444 0.00026883
0.02233743 -0.02121522 0.02021302
-7.23127140 3.83695297 8.71082874
-0.00023889 -0.00142824 -0.00064770
-0.00546975 0.02252716 -0.00411862
-6.80918781 6.28979697 10.08342565
0.00050545 -0.00028639 -0.00049730
0.00141118 0.01049493 0.01333194
-1.79415700 -17.95466770 11.57555833
0.00094544 0.00002521 0.00003406
0.00271876 0.01221310 0.00066373
-2.76292891 -15.79902972 9.92894116
0.00031934 -0.00032522 -0.00009946
-0.00344795 0.00533420 -0.01139242
8.59057395 -0.31830037 -3.10284282
-0.00018812 0.00021023 -0.00120565
-0.01333938 -0.00406070 -0.02444995
7.71931427 1.41604841 -5.35618222
0.00034435 0.00056563 -0.00079426
-0.00176213 0.01101336 -0.00825739
0.26107788 -11.97880707 1.93179325
-0.00017635 -0.00010651 0.00002931
0.01069325 0.00844919 0.00433848
-1.31932499 -10.63913957 -0.17520195
-0.00075875 -0.00055060 0.00040516
0.00571279 0.00020658 -0.00188756
-19.22173058 -1.02053455 6.95988604
-0.00006786 0.00137142 -0.00021209
-0.01949225 0.00825639 -0.01224133
-21.38617806 0.58962674 5.87915951
-0.00059841 0.00075629 -0.00013258
-0.01822435 0.01675680 0.00617203
-5.37697216 8.25483372 -26.73572359
-0.00128928 0.00032109 0.00079568
0.01772411 0.00034394 0.02139868
-5.37265020 7.75472736 -23.74954294
0.00026284 0.00025719 0.00077328
0.02006635 -0.00378411 0.00713337
4.09942006 1.93516705 -2.24323095
0.00036939 0.00045638 0.00041110
0.01348187 -0.01294260 -0.00034598
1.81807833 0.28026269 -1.46617531
-0.00118046 0.00073849 -0.00028437
-0.00366412 -0.01831057 0.00160337
14.89717751 7.69496971 5.90901297
-0.00054854 -0.00002938 -0.00029812
-0.00640256 -0.00626758 -0.00408745
15.29976526 9.95991371 4.04736861
-0.00126225 -0.00066236 -0.00046460
-0.01424549 -0.03238249 -0.00023808
1.62546773 -11.72540729 -13.95896494
0.00024834 0.00012488 -0.00011144
0.01155910 0.00638204 0.00332890
-13.58118713 14.69638633 22.82221753
-0.00004916 0.00013346 0.00013695
-0.00284364 0.00054027 -0.00096395
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02607213
0.33496808
446.32817896
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1343645214
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3759243215 (a.u.)
total exchange computation time: 2.7352869511 s
-154.2131379021
-931.36249550
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1343645214
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3755139855 (a.u.)
total exchange computation time: 2.7347681522 s
-154.2176550937
Anderson extrapolation: theta=1.4096016294 (1.4096016294)
-931.36273522
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1343645214
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3748938658 (a.u.)
total exchange computation time: 2.7364079952 s
-154.2244171004
Anderson extrapolation: theta=0.0752812085 (0.0752812085)
-931.36289233
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1343645214
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3748210995 (a.u.)
total exchange computation time: 2.7350120544 s
-154.2252407658
Anderson extrapolation: theta=2.4322874136 (2.0000000000)
-931.36290297
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1343645214
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3746867494 (a.u.)
total exchange computation time: 2.7354488373 s
-154.2268059680
Anderson extrapolation: theta=0.4721303104 (0.4721303104)
-931.36291821
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1343645214
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3746517958 (a.u.)
total exchange computation time: 2.7372210026 s
-154.2272888492
Anderson extrapolation: theta=0.8606066236 (0.8606066236)
-931.36292327
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1343645214
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3746576756 (a.u.)
total exchange computation time: 2.7368040085 s
-154.2273709023
Anderson extrapolation: theta=0.6126385273 (0.6126385273)
-931.36292659
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1343645214
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3746925026 (a.u.)
total exchange computation time: 2.7356960773 s
-154.2271297843
Anderson extrapolation: theta=0.6683043850 (0.6683043850)
-931.36292808
-22.456709 -126.642944 -244.672008
-137.283751 458.422302 -806.413190
-159.740459 331.779358 -1051.085197
1113.721082
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1343645214
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3747363446 (a.u.)
total exchange computation time: 2.6556921005 s
678.93948967
-1084.11203446
89.75764085
-388.77307566
-174.80021284
78.50741290
551.60419304
0.00000000
-931.36292877
-9.16420049 -5.32774035 9.82025129
0.00013917 0.00012305 0.00022628
0.04068034 -0.02618601 0.02515998
-13.76135155 5.02604769 8.90506231
0.00005232 -0.00002166 -0.00009780
-0.00278453 -0.02318007 -0.00124535
-15.87036125 1.52442909 2.96740597
-0.00011242 -0.00009988 0.00000133
-0.01215271 -0.01652611 0.02901390
2.31939547 -19.69510363 13.42567335
-0.00035484 -0.00003858 0.00018047
-0.02164157 0.04801035 0.00788826
9.97754455 20.81367646 0.32685249
0.00047158 0.00014867 -0.00032522
-0.01753765 0.01153540 0.00632023
-11.27429503 12.81125399 15.19431879
-0.00019969 0.00022874 -0.00005681
0.02213406 0.01869480 0.02842656
-5.96039980 1.02573691 -12.85932938
0.00005986 -0.00022157 0.00025298
0.00248836 0.01192410 -0.01016113
-8.88327707 6.76589119 -6.84203504
0.00005318 0.00014111 -0.00012680
0.00115278 -0.00111514 -0.01785369
-7.31593578 -3.78310626 18.01373587
0.00030781 -0.00003227 -0.00008026
-0.00177763 -0.01504871 -0.03263645
-23.54583361 -7.65806711 -23.69692162
-0.00039754 -0.00022427 -0.00039015
-0.01890432 0.02617253 -0.00211391
8.59773463 13.29249259 6.68194598
0.00042124 0.00040314 0.00026599
0.02532511 -0.02740697 -0.00471747
23.01120796 28.74117627 -2.96086042
-0.00034719 -0.00016799 0.00028964
0.00761484 0.00271091 -0.02259164
9.50843563 0.11876504 -14.70299235
0.00040552 0.00022153 -0.00022915
0.01645128 -0.00774434 -0.00243690
-9.18234442 -1.15440830 12.42579155
-0.00032632 -0.00041073 -0.00028605
-0.00883075 -0.03419721 -0.00212654
-2.17712750 -25.92571721 10.54444394
-0.00017903 -0.00006566 0.00004585
-0.00598413 -0.00171948 -0.01566937
-15.30902978 -4.13678132 -7.34814704
-0.00019503 -0.00019834 -0.00035765
-0.01086960 -0.01309340 -0.02770283
-19.40631029 -11.05279484 -18.26153384
0.00012331 -0.00022487 -0.00012518
-0.00364046 -0.01270896 0.00178177
21.00073467 5.44730997 4.71160113
-0.00031326 0.00027185 0.00011835
0.01865991 0.04572259 0.00440640
19.63819143 -11.49548496 -13.25032273
0.00070908 0.00013529 -0.00002246
0.00306040 -0.00839738 -0.02355058
-3.28287470 -0.40592588 -6.53307542
-0.00018853 -0.00019159 0.00005894
0.01231142 0.01506078 -0.00290483
-3.64404875 -3.14534767 -17.60994154
0.00029180 0.00011733 -0.00000493
-0.00875280 0.04171639 0.01671059
14.29170741 16.41943298 -21.35115314
0.00008208 0.00016257 -0.00010749
-0.01698834 0.02186766 0.01064134
-14.55733035 17.75446179 -13.40599555
0.00007522 0.00027406 -0.00008760
-0.00552164 0.02284764 0.03403032
1.36879242 15.01764197 7.78593510
-0.00024410 -0.00011881 -0.00034158
-0.04216249 0.04804303 0.00720476
-4.29101910 -9.19434183 3.85507042
0.00039028 -0.00001842 -0.00024525
-0.01319286 -0.00025959 0.03326698
2.10677174 -5.14765999 2.30393589
-0.00011378 0.00008108 0.00013784
-0.04681743 -0.02018896 0.05400532
9.67276327 7.21885209 4.37514554
-0.00000006 0.00005204 -0.00003975
-0.02919268 0.00012776 -0.01153202
-9.32680709 -10.35315801 -2.55548451
-0.00004207 -0.00028180 0.00025778
0.00779917 -0.00982071 0.01486473
3.41205276 -15.61881218 -13.13981867
-0.00008910 0.00002115 -0.00004276
-0.03107456 -0.00256611 0.02470690
3.86374824 -5.71063472 -3.05328491
0.00005720 0.00009291 0.00031098
-0.03197169 0.00930321 -0.00498530
18.38160956 1.85889670 24.43406382
-0.00011167 -0.00019155 -0.00012888
-0.00718606 0.00122562 0.00722400
-9.00075192 2.41153595 1.54642610
-0.00025011 -0.00034017 0.00004601
0.02307696 0.00183352 -0.01101315
-5.84660863 12.44018198 -9.73973304
0.00032658 -0.00045049 0.00019080
0.00838086 0.00221620 -0.00547444
1.62182942 13.32962731 -7.50034784
0.00007398 0.00014901 0.00025985
-0.00085413 0.00161449 -0.03781816
-11.25337608 10.03249411 -12.50955541
-0.00039366 0.00011368 0.00006310
0.00484872 0.02559674 0.00714376
7.84327305 3.84022585 14.65222263
-0.00006817 -0.00027484 0.00007110
-0.01851473 0.00618318 -0.00215611
-15.28837480 9.98873762 -7.63213320
0.00028071 0.00054338 0.00065754
-0.02399255 0.00272330 -0.00396986
8.49842959 7.65233420 -3.03470759
-0.00042620 -0.00022466 0.00002111
-0.03741551 0.00137143 -0.05118564
14.14308648 -20.68293074 -26.63308352
-0.00007489 0.00011333 0.00016694
0.01238957 0.01966799 -0.03934099
5.13458210 6.77663332 1.85179821
0.00004960 -0.00020486 0.00030022
-0.00266031 -0.02672520 -0.04528746
18.21023188 -5.84097768 -7.43742578
-0.00005228 0.00005919 0.00023075
-0.00397028 -0.01020390 -0.02119520
-1.97117628 -2.19702069 -1.99755013
-0.00003256 -0.00021642 0.00016817
0.01765582 -0.02357754 0.01595491
2.81683804 -2.14480158 -12.02615971
0.00017068 -0.00024037 -0.00001231
0.00119039 -0.00118770 0.00064780
19.78141292 9.08751463 -6.03795231
0.00017409 -0.00033377 0.00020999
-0.01751460 0.01703769 -0.00511411
-7.70705861 5.71257335 8.63329541
-0.00017207 0.00006267 -0.00036491
0.00917488 -0.03290251 -0.00385138
-1.71087154 -16.12413539 11.35282596
0.00010353 -0.00013085 -0.00007365
0.00417145 -0.01617127 0.01322889
7.62674080 -0.28858385 -4.74226537
0.00017898 0.00049241 0.00016346
0.01144837 0.00781402 0.03656012
-1.05946691 -12.25558067 0.71109230
-0.00013219 -0.00014345 0.00008767
-0.01772341 -0.00963852 -0.00409586
-20.02392848 -0.41381777 5.34168253
0.00000958 0.00034407 0.00013566
0.02851296 -0.01805599 0.00447153
-6.38619536 8.02665708 -25.19965748
0.00027603 0.00024526 -0.00027440
-0.01825634 -0.00351073 0.01433135
2.33327402 1.93524695 -1.89683948
-0.00025411 -0.00016621 -0.00010367
0.00458312 0.02534628 -0.00421534
14.58790563 8.18777564 4.15047247
-0.00011654 0.00010633 0.00009050
0.01968601 0.03668434 -0.00537349
-8.09892778 -6.89778208 10.16402820
0.00020089 -0.00058610 -0.00056654
-0.02764304 0.03023371 -0.01310606
-10.37016943 -5.59921307 8.52635297
-0.00025744 0.00005542 0.00052433
-0.00856909 -0.01425684 -0.01328098
-13.20827092 5.61727718 7.24456008
-0.00029500 -0.00111257 -0.00076329
0.00235423 0.00334480 -0.00012398
-13.43368901 3.16635670 8.86637654
0.00104810 0.00002989 0.00103544
-0.00381045 0.02294039 -0.00091509
-14.48980463 1.52738919 4.25495844
0.00037127 0.00005723 -0.00003907
-0.02431732 0.00325027 -0.01040278
-17.47645593 0.77292650 3.86149826
0.00002523 0.00005290 0.00070792
0.03392066 0.01678523 -0.01649438
2.38486767 -21.32509192 12.85928142
-0.00069335 -0.00046957 -0.00078061
0.00221220 -0.05758381 -0.03262796
3.39236510 -19.78726541 14.83663460
0.00131171 -0.00004999 0.00072685
0.01602489 0.00786497 0.02206989
9.16758305 19.20405672 -0.01707076
-0.00038793 -0.00047809 -0.00029416
0.00524425 -0.00937164 0.00419803
8.73360248 21.69194158 1.44534860
-0.00008804 -0.00095402 -0.00061056
0.00698492 -0.00757685 -0.01524457
-10.44581954 12.06733384 16.79211268
0.00037365 -0.00015129 0.00047859
-0.01426532 0.01129383 -0.01693459
-11.21468435 14.61753206 15.71044107
0.00047066 -0.00085119 0.00032152
-0.00507975 -0.02171334 -0.01242523
-6.03217162 0.14583542 -14.46571753
-0.00030091 0.00018848 0.00028371
-0.00352645 -0.00276170 0.01131222
-7.21709534 0.40378651 -11.62861643
-0.00036363 0.00048273 -0.00154148
0.00318057 -0.01206991 -0.00382698
-7.81494851 8.24791363 -6.91650355
0.00059746 -0.00030777 -0.00110912
-0.00528158 -0.00698490 -0.00521556
-9.77038044 6.99897927 -5.27944380
-0.00011756 0.00149624 0.00037359
-0.00650513 0.00068523 0.00827563
-7.61424835 -2.02203361 17.93215349
0.00037073 -0.00134867 -0.00004347
-0.00122389 0.02180583 0.00138594
-7.13598359 -4.23976638 19.72937674
-0.00013012 -0.00015401 -0.00040977
-0.00244003 -0.01148711 0.02794719
-24.50002708 -6.04254025 -23.66736878
0.00113325 0.00078233 -0.00084285
0.00264360 -0.01989998 0.00037250
-21.90467567 -6.91308706 -23.90582009
0.00008977 -0.00005936 -0.00074729
0.01655645 -0.00448855 -0.00091913
8.67086395 13.12241371 4.84807217
-0.00000470 0.00033073 -0.00112808
-0.00323926 0.00825924 0.00254472
9.75820873 11.86694626 7.29924461
0.00029196 0.00083597 0.00025619
-0.02670950 0.02591047 0.00285870
24.15719588 27.37245219 -2.59899434
0.00003351 -0.00063812 -0.00000226
-0.01258821 -0.00352988 0.00207674
22.58382680 29.56217803 -1.42107269
-0.00113500 -0.00109094 0.00063960
-0.00569213 0.01128559 0.01639223
11.17246860 -0.55392863 -14.18711795
-0.00048137 0.00142346 0.00048125
-0.02251766 0.00913259 -0.00384424
8.38498990 -1.34718682 -14.57058396
0.00026600 0.00003543 0.00068513
0.00854424 -0.00036996 0.00654617
-9.62605523 -1.37571601 14.15817380
0.00039770 0.00046646 0.00054326
-0.00128975 0.01557182 0.01575922
-9.34054638 -2.99210173 11.91737948
0.00071344 0.00039225 -0.00069751
0.00748992 0.02417642 -0.01265643
-3.21399249 -26.53560817 11.98268612
0.00057857 -0.00004815 -0.00036210
0.00380436 0.00257170 -0.00927255
-3.30949631 -25.56682838 9.12433177
0.00035230 0.00066019 -0.00036674
0.00752132 -0.00094988 0.01184953
-14.96029291 -2.45332438 -6.69346331
-0.00030544 0.00029890 -0.00067925
0.00604860 0.00539708 0.00917243
-16.10810935 -3.81652760 -8.97668402
-0.00017282 -0.00022133 -0.00023022
0.00086603 -0.00266998 0.01212805
-19.15121583 -9.45942993 -19.08040210
-0.00060310 0.00144051 0.00012812
0.00422479 0.01118598 -0.00189462
-18.22923388 -12.25408996 -18.99515741
-0.00040772 -0.00062031 0.00051949
0.00235194 -0.00069880 -0.00057269
22.48484932 6.30389661 3.99792628
-0.00018032 0.00029361 0.00052249
0.00117082 -0.02590686 -0.00520680
20.37511941 7.06035348 5.39065399
-0.00053439 0.00081875 0.00003821
-0.01744277 -0.02127732 0.00274453
18.55336265 -11.13896773 -11.82048862
-0.00067678 -0.00008535 0.00099086
-0.01166823 0.00965877 -0.00077813
19.03395098 -10.59846727 -14.75325331
0.00065751 0.00059717 0.00021864
-0.00476257 0.00225174 0.01688027
-1.73519334 0.58212188 -6.61632849
-0.00056866 -0.00049048 0.00070982
-0.00256212 -0.00224562 -0.00464307
-4.56170269 0.86268146 -6.20242549
0.00089729 0.00085030 0.00003988
-0.00164213 -0.00742940 0.00272171
-3.25191162 -4.37632707 -18.81469257
-0.00060875 0.00029696 -0.00090584
0.00693752 -0.01731248 -0.01989459
-3.68230139 -1.48442669 -18.50013040
0.00008519 0.00030571 -0.00010902
0.00277233 -0.01505841 0.00520215
14.05246470 18.00537747 -20.40140312
0.00120630 0.00032953 -0.00082595
0.00700361 -0.01731129 -0.00718384
12.48753781 15.86694212 -21.48154518
-0.00009816 -0.00059896 0.00061270
0.01559843 -0.00098829 -0.00153593
-13.98315399 17.11013771 -11.77949757
-0.00041500 0.00049463 -0.00103892
-0.00066669 0.01081850 -0.00185198
-14.44066770 16.25075279 -14.34823738
0.00068024 0.00055076 -0.00005467
0.00096795 -0.03913258 -0.03146412
1.91746497 15.96731009 6.31314327
-0.00041432 0.00037905 -0.00000267
0.00488330 -0.01163670 -0.00099773
-0.11870782 16.20112544 8.34580620
0.00026954 0.00025211 -0.00128580
0.03626534 -0.04028395 -0.00410084
-4.52017224 -7.93647616 2.61133871
0.00027613 0.00016211 0.00055107
-0.01208265 0.01432419 -0.01402866
-3.24696220 -10.39041763 3.06043684
-0.00045252 0.00008325 0.00010507
0.02009284 -0.02263719 -0.01873236
1.37501240 -3.73220264 3.23217799
0.00144209 -0.00041374 -0.00122563
0.00233277 -0.00430305 -0.00276510
3.20477380 -4.37458093 1.23903413
-0.00021150 0.00044330 0.00067751
0.04634102 0.02459077 -0.04615590
8.07702219 7.58413266 3.39347624
-0.00056992 -0.00051680 -0.00118829
0.03130595 -0.00932439 0.00938302
11.19773393 7.88127821 3.58741016
0.00046464 0.00033928 -0.00051510
-0.00119069 0.00133469 0.00322112
-7.97750980 -11.62079033 -2.13826436
-0.00180089 -0.00040603 0.00017460
-0.01549603 0.00893456 -0.01252357
-10.26058813 -9.95878676 -1.01901613
0.00025769 0.00020136 0.00102532
-0.00008472 0.00312276 -0.00801493
5.14810851 -16.27919967 -13.41569050
-0.00082272 -0.00109176 -0.00126189
-0.01094611 -0.00420287 0.02152333
2.35439933 -16.28971711 -11.63230364
-0.00030817 0.00028554 -0.00017117
0.04299480 0.00684767 -0.04369589
4.40346708 -4.69219514 -4.48503095
-0.00061626 -0.00039017 0.00075983
0.01545637 -0.00949702 0.00729352
5.21103205 -6.61760894 -2.26418642
0.00103485 -0.00013452 0.00063535
0.01968226 -0.00114947 -0.00201957
16.66475339 2.52772300 24.59692128
-0.00023085 -0.00083200 0.00023800
-0.00257604 -0.00995838 -0.01003729
19.33191147 3.22479810 25.22569092
0.00037547 0.00047444 -0.00081492
0.00761193 -0.00157301 -0.00179423
-9.57104838 0.68269273 1.32264931
-0.00019027 -0.00032500 -0.00019045
-0.01307812 0.00677933 0.00885579
-9.95611902 3.39851242 2.72571727
0.00001236 -0.00000315 -0.00021301
-0.01074939 -0.00372870 0.00183663
-5.05757124 13.72261613 -8.61785166
-0.00032579 0.00017394 -0.00040140
-0.00371022 -0.00566165 -0.00261110
-7.54707488 12.17125791 -9.19597018
0.00043783 -0.00026743 -0.00090507
-0.01120550 0.00043831 0.00529687
1.40593364 11.68173740 -6.81288857
-0.00026371 0.00015044 -0.00046929
-0.00574684 0.00014961 0.01872077
2.25964202 14.53476212 -6.33371889
0.00082588 -0.00061215 -0.00044144
0.00731916 -0.00383447 0.02140303
-10.84333552 8.35696875 -12.93355390
-0.00018456 -0.00109721 0.00051056
0.00521478 -0.02923096 -0.00710139
-11.68041645 9.98131887 -10.74416682
0.00030297 -0.00037348 -0.00032621
-0.00558881 0.00176614 0.00136023
7.17995926 5.29483091 13.67576915
-0.00072018 -0.00057816 0.00112523
0.02277012 -0.01758423 0.00991266
9.64571944 3.65149282 14.55505900
0.00023171 -0.00024372 -0.00017146
0.00046037 0.01514730 -0.01207967
-14.21286253 11.48420912 -7.47997946
-0.00000577 0.00058527 -0.00106320
0.00823579 -0.00090713 0.00267516
-16.96746965 10.68736495 -8.00238987
0.00032180 -0.00054363 -0.00013523
0.01382747 -0.00592796 0.00325937
9.22547132 9.24375076 -2.73369445
0.00015334 -0.00016977 -0.00088784
0.02039638 0.02432525 0.02091394
7.59385666 8.27351616 -4.67314165
-0.00021923 0.00028852 0.00009662
0.01484985 -0.02464614 0.03073890
14.45643823 -19.03514415 -27.52305482
-0.00028647 0.00010601 -0.00024065
-0.01075976 -0.02061095 0.01625515
13.63517506 -20.25664435 -24.97660310
0.00067743 0.00028350 0.00062452
-0.00486384 0.01163416 0.02399048
5.07782816 4.87536171 1.95661289
0.00066046 -0.00094536 0.00017639
0.00620233 0.02262733 0.01247216
5.41416836 6.93273654 -0.03686394
0.00005805 0.00021980 -0.00013794
0.00152698 0.00803706 0.03314884
19.85859830 -5.37460616 -6.94405467
-0.00110467 0.00128022 0.00008107
0.01788887 -0.00187739 0.01153091
17.04148822 -4.96272190 -6.36347985
-0.00031270 0.00037634 0.00004611
-0.01397646 0.01151401 0.01821193
-2.55382439 -0.74142389 -1.17243492
0.00006646 0.00020890 -0.00033923
-0.01020105 0.02362684 0.02723405
-2.42003110 -1.75193807 -3.67206316
-0.00105033 -0.00037844 0.00093955
-0.00851242 0.00028962 -0.03225645
3.88148192 -3.54292875 -12.52504661
-0.00061812 0.00055742 -0.00001252
0.00625244 -0.00270797 0.00126679
1.15264451 -2.91827156 -11.82025787
-0.00000483 -0.00002470 -0.00000688
-0.00517130 0.00412033 0.00157561
19.89561560 8.72167230 -7.79385436
0.00012546 0.00022091 -0.00046564
-0.00105322 -0.00510631 -0.01575164
20.99238047 7.99472383 -5.29027647
0.00067757 -0.00104323 0.00034496
0.01793898 -0.01735442 0.01704977
-7.23502231 3.81621971 8.70098710
-0.00026305 -0.00132286 -0.00066349
-0.00635612 0.02905425 -0.00361308
-6.80156284 6.28582267 10.07637469
0.00051039 -0.00024517 -0.00044497
0.00100907 0.00968581 0.01228594
-1.77989209 -17.95391536 11.57608951
0.00095586 0.00007254 0.00003692
0.00237967 0.01095734 0.00073797
-2.75824442 -15.80374450 9.92710013
0.00030422 -0.00030352 -0.00014765
-0.00395737 0.00528423 -0.01219571
8.58734341 -0.31527141 -3.12167686
-0.00023428 0.00019434 -0.00129168
-0.00925778 -0.00371675 -0.01766006
7.72442553 1.42487031 -5.36834915
0.00033691 0.00060468 -0.00082496
-0.00188080 0.00810486 -0.00676979
0.25876030 -11.98014579 1.93236589
-0.00013213 -0.00007150 0.00004727
0.01095280 0.00868881 0.00445284
-1.33053124 -10.64739227 -0.16918235
-0.00073551 -0.00054548 0.00039487
0.00566365 0.00230197 -0.00315062
-19.22334582 -0.99971020 6.95632959
-0.00014426 0.00140196 -0.00025588
-0.01790299 0.00668949 -0.00919344
-21.39571262 0.60148464 5.87735991
-0.00066346 0.00081774 -0.00011131
-0.01361934 0.01332298 0.00424218
-5.39576817 8.25966067 -26.72313271
-0.00120278 0.00032496 0.00086396
0.02461768 0.00154813 0.01202788
-5.36809277 7.75846927 -23.73772515
0.00033651 0.00024459 0.00078843
0.01599818 -0.00238616 0.00028315
4.10537398 1.94161611 -2.23707512
0.00041463 0.00040123 0.00041211
0.00866298 -0.01405449 0.00084195
1.80025915 0.29077891 -1.47039166
-0.00119649 0.00065362 -0.00027570
-0.00418171 -0.02323110 0.00263956
14.88875328 7.69433701 5.90441595
-0.00057333 -0.00005571 -0.00030909
-0.00573250 -0.00662388 -0.00128116
15.28039491 9.94898596 4.04039231
-0.00131465 -0.00078282 -0.00046488
-0.01140250 -0.02658223 0.00010347
1.62922390 -11.72351703 -13.96062756
0.00025251 0.00012715 -0.00011024
0.01172946 0.00633232 0.00333985
-13.58192943 14.69838910 22.82427006
-0.00004980 0.00013358 0.00013673
-0.00269474 0.00050033 -0.00092773
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02607540
0.33685337
448.84022619
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1343645214
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3778137139 (a.u.)
total exchange computation time: 2.6323370934 s
-154.2122159692
-931.36301905
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1343645214
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3773231118 (a.u.)
total exchange computation time: 2.6314530373 s
-154.2171221923
Anderson extrapolation: theta=1.3559073599 (1.3559073599)
-931.36323367
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1343645214
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3765378779 (a.u.)
total exchange computation time: 2.6314280033 s
-154.2246095087
Anderson extrapolation: theta=0.0530370681 (0.0530370681)
-931.36336215
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1343645214
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3764029636 (a.u.)
total exchange computation time: 2.6306340694 s
-154.2257051004
Anderson extrapolation: theta=1.9530361064 (1.9530361064)
-931.36336698
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1343645214
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3761140417 (a.u.)
total exchange computation time: 2.6320850849 s
-154.2279964868
Anderson extrapolation: theta=0.2261437808 (0.2261437808)
-931.36337205
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1343645214
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3760434743 (a.u.)
total exchange computation time: 2.6305201054 s
-154.2285107667
Anderson extrapolation: theta=1.9006986562 (1.9006986562)
-931.36337307
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347106544
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3759448985 (a.u.)
total exchange computation time: 2.5942668915 s
-154.2292665360
Anderson extrapolation: theta=-0.2077032185 (-0.2077032185)
-931.36338463
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347106544
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3759814530 (a.u.)
total exchange computation time: 2.5937809944 s
-154.2289728381
Anderson extrapolation: theta=1.3524948146 (1.3524948146)
-931.36338482
-22.481431 -126.650075 -244.689099
-137.287267 458.420968 -806.467520
-159.768699 331.770893 -1051.156619
1113.790016
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347106544
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3760296445 (a.u.)
total exchange computation time: 2.6956868172 s
678.96246890
-1084.14902183
89.75262346
-388.74978426
-174.80364176
78.52622019
551.60419304
0.00000000
-931.36338514
-9.16195600 -5.32599566 9.82374248
0.00016021 0.00010890 0.00023888
0.04114081 -0.02881739 0.02383758
-13.76057753 5.02563345 8.90359054
0.00005108 -0.00003367 -0.00009868
-0.00202768 -0.02353434 -0.00217945
-15.87209436 1.52286715 2.96753789
-0.00011840 -0.00010833 0.00001662
-0.01112827 -0.01633332 0.03043830
2.31398939 -19.69549721 13.42841078
-0.00036391 -0.00001597 0.00018640
-0.01362238 0.03992739 0.01517796
9.98455056 20.81595094 0.32199854
0.00046181 0.00015262 -0.00032246
-0.02045894 0.00383439 0.00442808
-11.27720496 12.81475721 15.19357623
-0.00018776 0.00023646 -0.00004172
0.02424671 0.01133634 0.03028401
-5.95949227 1.02245932 -12.85557385
0.00006218 -0.00021468 0.00024677
0.00654480 0.01489627 -0.01400155
-8.88247485 6.76800351 -6.84400591
0.00005301 0.00014067 -0.00013472
-0.00184641 -0.00060835 -0.01296089
-7.31132555 -3.78364829 18.01240611
0.00030735 -0.00004260 -0.00009735
-0.00001089 -0.02515444 -0.03383322
-23.55186963 -7.66133015 -23.70278197
-0.00040603 -0.00020997 -0.00039137
-0.01412231 0.02940560 -0.00263780
8.60415086 13.29843402 6.68591767
0.00043390 0.00038946 0.00026104
0.02390832 -0.02580127 -0.01453713
23.00602950 28.73866683 -2.95660290
-0.00034266 -0.00016723 0.00027842
0.00998792 0.00023819 -0.02106553
9.51458193 0.12205815 -14.70643896
0.00041201 0.00021788 -0.00023077
0.00876174 -0.00646164 -0.00388965
-9.18727330 -1.16070112 12.42149267
-0.00033089 -0.00042698 -0.00028588
-0.00892837 -0.02899832 0.00275362
-2.17983601 -25.92670880 10.54507122
-0.00018129 -0.00006600 0.00003671
-0.00280230 0.00039833 -0.01986400
-15.31199711 -4.13980692 -7.35361863
-0.00020034 -0.00020431 -0.00037134
-0.00980752 -0.01012202 -0.02554048
-19.40447469 -11.05621686 -18.26340469
0.00012099 -0.00022874 -0.00012479
-0.00536770 -0.00235122 -0.00025969
20.99610777 5.45156408 4.71339339
-0.00030408 0.00029593 0.00012094
0.01702213 0.04791633 0.00567842
19.64883949 -11.49348796 -13.25075043
0.00070885 0.00013153 -0.00003230
-0.00397359 -0.00622605 -0.01473532
-3.28565509 -0.40874158 -6.53220253
-0.00018298 -0.00018406 0.00005757
0.00925695 0.01419091 -0.00241879
-3.63970555 -3.14342682 -17.60995101
0.00028755 0.00013838 0.00000288
-0.00776793 0.04015603 0.01366802
14.29287305 16.42195592 -21.35272437
0.00007324 0.00017291 -0.00010247
-0.01737252 0.01833918 0.00885496
-14.55622332 17.75866087 -13.40717824
0.00007177 0.00028664 -0.00007182
-0.00789299 0.02604526 0.02731445
1.36496832 15.01604515 7.78083925
-0.00026542 -0.00009417 -0.00033815
-0.04074393 0.04775615 0.00611915
-4.28521577 -9.19461910 3.85152000
0.00038270 -0.00001809 -0.00022685
-0.01629675 0.00154215 0.03828797
2.10488443 -5.14652163 2.30621185
-0.00013651 0.00006862 0.00016393
-0.04157505 -0.02826947 0.04742969
9.67264983 7.21963314 4.37450484
-0.00001499 0.00005274 -0.00004695
-0.02887344 0.00259165 -0.01647224
-9.32740809 -10.35742290 -2.55156052
-0.00003993 -0.00028552 0.00026603
0.00052895 -0.00462823 0.01723751
3.41059642 -15.61850485 -13.14036472
-0.00010510 0.00002001 -0.00003032
-0.03116398 -0.00186588 0.02365897
3.86448295 -5.70920515 -3.04863951
0.00004191 0.00009575 0.00031059
-0.02748999 0.00174310 0.00348154
18.37990677 1.85602823 24.43215848
-0.00011470 -0.00019050 -0.00012492
-0.00458449 0.00284927 0.00817982
-9.00441452 2.40644045 1.54707374
-0.00023796 -0.00033928 0.00004019
0.02417422 0.00161629 -0.01161365
-5.84167754 12.43343317 -9.73689221
0.00033166 -0.00044942 0.00018748
0.01135200 0.00195426 -0.00740991
1.62293587 13.33186864 -7.49659589
0.00007303 0.00014933 0.00023924
-0.00285699 -0.00036237 -0.04233512
-11.25926229 10.03429807 -12.50858138
-0.00039027 0.00012420 0.00006526
0.00832255 0.01532559 0.00126746
7.84217903 3.83612703 14.65328080
-0.00007673 -0.00027260 0.00007054
-0.01476565 0.00255760 -0.00002696
-15.28425669 9.99689888 -7.62228547
0.00026856 0.00054412 0.00065550
-0.02325930 0.00014428 -0.00394104
8.49189233 7.64896956 -3.03458840
-0.00044511 -0.00022340 -0.00000501
-0.03614768 0.00352139 -0.05038189
14.14201098 -20.68115488 -26.63073119
-0.00006872 0.00012364 0.00014726
0.01160026 0.02041429 -0.03718553
5.13531579 6.77345726 1.85612675
0.00004836 -0.00021935 0.00027654
-0.00215276 -0.02959752 -0.04678800
18.20943240 -5.84012924 -7.43404634
-0.00005604 0.00005384 0.00021989
-0.01066689 -0.01057737 -0.02102679
-1.97159659 -2.20035795 -1.99496601
-0.00002344 -0.00022824 0.00017732
0.01780588 -0.02240112 0.01961934
2.81940282 -2.14841171 -12.02634190
0.00016983 -0.00023942 -0.00001137
-0.00447838 0.00486656 0.00303600
19.78395675 9.08257381 -6.03482219
0.00016643 -0.00032626 0.00020692
-0.01227750 0.01215318 -0.00682687
-7.70960421 5.71338649 8.62780697
-0.00016694 0.00004457 -0.00036659
0.01075274 -0.03750369 -0.00270333
-1.70930252 -16.12616049 11.35177225
0.00010583 -0.00013869 -0.00006679
0.00477169 -0.01431559 0.01344055
7.62946968 -0.28116749 -4.73967251
0.00018358 0.00049703 0.00017965
0.00642237 0.01012870 0.02642166
-1.06151812 -12.25776957 0.71239149
-0.00014123 -0.00014902 0.00008590
-0.01744742 -0.01202807 -0.00276222
-20.02367480 -0.40872635 5.34373473
0.00002249 0.00033618 0.00013758
0.02167318 -0.01262856 0.00298105
-6.38212531 8.03032248 -25.20371823
0.00026570 0.00024262 -0.00026261
-0.02192073 -0.00677377 0.03151133
2.32948000 1.93285159 -1.89841081
-0.00025033 -0.00015190 -0.00010635
0.01012284 0.03030469 -0.00618494
14.58623349 8.18951210 4.15180931
-0.00010739 0.00012348 0.00008696
0.01588158 0.02999309 -0.00842826
-8.09676149 -6.90564713 10.15512845
0.00008605 -0.00045834 -0.00061956
-0.02856984 0.03230496 -0.01284749
-10.37429357 -5.59881859 8.53381097
-0.00029139 -0.00000187 0.00047133
-0.00805090 -0.01378648 -0.01266120
-13.21262377 5.60069111 7.23310698
-0.00028579 -0.00109853 -0.00076166
0.00215161 0.00352920 0.00091815
-13.41808426 3.16750802 8.88188017
0.00103134 0.00012420 0.00103111
-0.00439475 0.02322660 -0.00120471
-14.48498067 1.52834717 4.25405358
0.00026980 0.00007030 -0.00008407
-0.02535525 0.00314714 -0.01162195
-17.47503803 0.77423433 3.87161160
0.00016364 0.00012169 0.00063936
0.03383138 0.01688692 -0.01706463
2.37453515 -21.33390007 12.84657247
-0.00068374 -0.00068709 -0.00090589
0.00249340 -0.04889378 -0.02869946
3.41253183 -19.78777429 14.84821358
0.00136047 -0.00001928 0.00079409
0.00784128 0.00716750 0.01084684
9.16192473 19.19659822 -0.02135456
-0.00035892 -0.00050530 -0.00027578
0.00895729 -0.00394846 0.00480116
8.73249586 21.67739906 1.43572305
-0.00006045 -0.00098071 -0.00066973
0.00652078 -0.00548475 -0.01372153
-10.44065189 12.06541056 16.79877262
0.00031185 -0.00010329 0.00040333
-0.01598717 0.01220458 -0.01990629
-11.20778016 14.60409883 15.71488306
0.00044952 -0.00092644 0.00027306
-0.00526472 -0.01512072 -0.01129207
-6.03679331 0.14857797 -14.46111520
-0.00031454 0.00017581 0.00032598
-0.00314729 -0.00343799 0.00937862
-7.22245232 0.41065757 -11.65185586
-0.00035994 0.00042908 -0.00154564
-0.00137675 -0.01419281 0.00178808
-7.80614850 8.24308303 -6.93330023
0.00057629 -0.00033586 -0.00113021
-0.00508103 -0.00676688 -0.00510450
-9.77234315 7.02144382 -5.27358631
-0.00013808 0.00149720 0.00039717
-0.00354077 -0.00021549 0.00326312
-7.60872489 -2.04159552 17.93154387
0.00036157 -0.00123676 -0.00003913
-0.00325862 0.03297621 0.00073941
-7.13801014 -4.24242856 19.72408651
-0.00013970 -0.00020278 -0.00029132
-0.00225000 -0.01238247 0.03003682
-24.48294731 -6.03141506 -23.68000013
0.00114108 0.00070009 -0.00084050
0.00118804 -0.02035955 0.00077847
-21.90282177 -6.91411495 -23.91705762
0.00015075 -0.00008349 -0.00075022
0.01329574 -0.00732369 -0.00051269
8.67069424 13.12762773 4.83122900
-0.00001787 0.00036547 -0.00109816
-0.00321115 0.00874731 0.01209766
9.76176962 11.88027980 7.30317499
0.00018546 0.00093783 0.00026787
-0.02542280 0.02395190 0.00286306
24.15731284 27.36277228 -2.59896457
-0.00002340 -0.00064656 0.00000497
-0.01526958 -0.00060297 0.00146068
22.56662744 29.54615977 -1.41097644
-0.00115749 -0.00104580 0.00070474
-0.00531976 0.01080826 0.01549478
11.16455801 -0.53229682 -14.18001707
-0.00056008 0.00145459 0.00046927
-0.01600868 0.00610525 -0.00201997
8.38924172 -1.34666674 -14.56010641
0.00030346 0.00003678 0.00071129
0.00979457 0.00103153 0.00625973
-9.62012931 -1.36824198 14.16680558
0.00039443 0.00052851 0.00059684
-0.00031044 0.01480386 0.01047115
-9.32961525 -2.98547714 11.90652901
0.00074178 0.00048265 -0.00074774
0.00638090 0.02007491 -0.01192939
-3.20519729 -26.53625164 11.97697044
0.00058762 -0.00004029 -0.00039409
0.00062311 0.00127550 -0.00638774
-3.30398140 -25.55695456 9.11919373
0.00038293 0.00065507 -0.00031585
0.00747533 -0.00155989 0.01306426
-14.96468923 -2.44867554 -6.70337093
-0.00028155 0.00031578 -0.00064267
0.00564636 0.00286678 0.00873098
-16.11067512 -3.81992941 -8.97976569
-0.00017041 -0.00023241 -0.00018299
0.00031359 -0.00275319 0.01099298
-19.16013290 -9.43747953 -19.07853833
-0.00058672 0.00146577 0.00012820
0.00379226 0.00117987 0.00193397
-18.23527758 -12.26341608 -18.98738268
-0.00039386 -0.00062365 0.00051324
0.00442956 -0.00093315 -0.00248500
22.48218045 6.30750696 4.00560406
-0.00017469 0.00018837 0.00050097
0.00158410 -0.02561301 -0.00532624
20.36656905 7.07198272 5.39131118
-0.00060333 0.00072628 0.00004685
-0.01630395 -0.02398643 0.00148811
18.54285341 -11.13995194 -11.80564952
-0.00071101 -0.00004986 0.00097038
-0.00508594 0.00771238 -0.00924874
19.04366764 -10.58944067 -14.74945639
0.00063812 0.00060602 0.00028736
-0.00472594 0.00207961 0.01675512
-1.74380172 0.57469582 -6.60582339
-0.00057025 -0.00049706 0.00068997
0.00178395 -0.00097614 -0.00507399
-4.54829367 0.87520837 -6.20174392
0.00088768 0.00081915 0.00005103
-0.00306381 -0.00782032 0.00273826
-3.26083023 -4.37240320 -18.82888982
-0.00058214 0.00023076 -0.00098229
0.00608549 -0.01509447 -0.01752565
-3.68093860 -1.48030248 -18.50160634
0.00009657 0.00024290 -0.00008632
0.00279827 -0.01568975 0.00590915
14.07077380 18.00978997 -20.41401248
0.00123197 0.00026270 -0.00085242
0.00556387 -0.01540521 -0.00577666
12.48654342 15.85792739 -21.47240172
-0.00003087 -0.00059938 0.00060742
0.01733958 0.00078615 -0.00104883
-13.98939939 17.11788871 -11.79513805
-0.00041270 0.00053388 -0.00103086
0.00179272 0.00839282 0.00579383
-14.43043449 16.25781498 -14.35002153
0.00068419 0.00038969 -0.00018518
0.00096672 -0.03970758 -0.03242456
1.91139980 15.97263918 6.31307264
-0.00039221 0.00033093 -0.00000844
0.00593848 -0.01191400 -0.00182649
-0.11355342 16.20367264 8.32639346
0.00041303 0.00008858 -0.00129880
0.03397329 -0.03976323 -0.00226034
-4.51640053 -7.93360560 2.61917482
0.00022661 0.00022461 0.00048906
-0.01215994 0.01626871 -0.01632324
-3.25313436 -10.38986253 3.06143881
-0.00036408 -0.00001659 0.00002303
0.02320110 -0.02623499 -0.02142673
1.39671526 -3.73854059 3.21370884
0.00143807 -0.00041311 -0.00122099
-0.00430201 0.00460981 0.00503460
3.20302127 -4.36717793 1.24778241
-0.00001955 0.00054175 0.00048621
0.04762225 0.02360425 -0.04748843
8.06943273 7.57609498 3.37593946
-0.00043508 -0.00055631 -0.00114447
0.03469952 -0.01001775 0.01206671
11.20466705 7.88640828 3.57978239
0.00045178 0.00034058 -0.00049728
-0.00510532 -0.00069891 0.00550334
-8.00499800 -11.62660695 -2.13602917
-0.00185261 -0.00037812 0.00012608
-0.00982316 0.00472446 -0.01122377
-10.25672541 -9.95567071 -1.00388187
0.00026041 0.00021269 0.00098482
0.00141868 0.00242604 -0.01181189
5.13543230 -16.29570491 -13.43395931
-0.00086643 -0.00110867 -0.00117291
-0.01044923 -0.00407371 0.02203080
2.35109433 -16.28522416 -11.63621011
-0.00013330 0.00031197 -0.00034821
0.04260198 0.00608922 -0.04297022
4.39469677 -4.69833875 -4.47341007
-0.00054940 -0.00042175 0.00077975
0.01727335 -0.00595990 0.00246162
5.22715792 -6.61966199 -2.25471811
0.00110249 -0.00013084 0.00061989
0.01343007 0.00295147 -0.00554641
16.66121163 2.51493788 24.60018378
-0.00024207 -0.00087116 0.00019744
-0.00291254 -0.00921181 -0.00982028
19.33777674 3.23186647 25.21341220
0.00040192 0.00046361 -0.00082450
0.00533434 -0.00372617 -0.00289505
-9.57430311 0.67802544 1.32006397
-0.00024451 -0.00029730 -0.00015392
-0.01347371 0.00677987 0.00902554
-9.95626298 3.39835084 2.72257841
-0.00003290 -0.00001785 -0.00020435
-0.01140653 -0.00346367 0.00240120
-5.06257177 13.72505179 -8.62395274
-0.00033930 0.00015230 -0.00041007
-0.00290145 -0.00493505 -0.00162880
-7.54085080 12.16725992 -9.20938386
0.00038516 -0.00026673 -0.00088139
-0.01457545 -0.00009625 0.00629154
1.40180196 11.68399853 -6.81935423
-0.00028746 0.00014782 -0.00039111
-0.00587931 -0.00143028 0.01954722
2.27225450 14.52546232 -6.33968468
0.00085986 -0.00062055 -0.00034655
0.00931496 -0.00027762 0.02504835
-10.84594409 8.33961494 -12.92611305
-0.00016795 -0.00119701 0.00048477
0.00291245 -0.01962386 -0.00552709
-11.67604313 9.97577073 -10.74901834
0.00027775 -0.00036503 -0.00031160
-0.00675673 0.00237406 0.00579170
7.16985437 5.28561973 13.69295131
-0.00062912 -0.00064329 0.00116080
0.02180069 -0.01429868 0.00750130
9.64920926 3.64830124 14.55211697
0.00022834 -0.00018052 -0.00022067
-0.00211148 0.01578743 -0.01200762
-14.21269667 11.49296037 -7.49584545
0.00002953 0.00058423 -0.00105132
0.00904029 0.00040055 0.00313739
-16.96221900 10.67902887 -8.00431843
0.00037451 -0.00056579 -0.00012239
0.01197572 -0.00491938 0.00302586
9.22839641 9.24194958 -2.74637125
0.00023581 -0.00007379 -0.00080219
0.01997503 0.02265774 0.02101293
7.59102318 8.27708878 -4.67075044
-0.00016020 0.00018726 0.00022045
0.01405003 -0.02492146 0.02987528
14.45181143 -19.03418552 -27.52616642
-0.00033054 0.00002123 -0.00017311
-0.01081339 -0.02089049 0.01680375
13.64518747 -20.25203528 -24.96650020
0.00065926 0.00033000 0.00071696
-0.00403192 0.01112615 0.02125917
5.08792511 4.86187462 1.95964092
0.00068585 -0.00084601 0.00022644
0.00622811 0.02600892 0.01202815
5.41508584 6.93627989 -0.03791725
0.00006340 0.00025141 0.00000172
0.00109406 0.00743383 0.03521578
19.84257648 -5.35546044 -6.94248523
-0.00101974 0.00127552 0.00013078
0.02368316 -0.00042292 0.01279945
17.03636947 -4.95672397 -6.36223014
-0.00036806 0.00042058 0.00011723
-0.01312288 0.01014238 0.01660153
-2.55314003 -0.73756637 -1.17668876
0.00002610 0.00030296 -0.00022758
-0.00955675 0.02241697 0.02741825
-2.43604688 -1.75760580 -3.65895839
-0.00108658 -0.00037704 0.00079951
-0.00923148 0.00039646 -0.03629195
3.87240174 -3.53465042 -12.52519565
-0.00058277 0.00053376 -0.00001195
0.01104826 -0.00887238 -0.00098504
1.15241358 -2.91851575 -11.82031272
-0.00002505 -0.00000749 -0.00000034
-0.00472452 0.00430181 0.00162471
19.89746517 8.72482953 -7.80132160
0.00012129 0.00020150 -0.00051944
-0.00098815 -0.00439673 -0.01058458
21.00309375 7.97854362 -5.28457966
0.00074082 -0.00110520 0.00040747
0.01302265 -0.01298356 0.01355033
-7.23916276 3.79726707 8.69092403
-0.00029025 -0.00119294 -0.00067710
-0.00696323 0.03454229 -0.00304912
-6.79387604 6.28244199 10.07007668
0.00051309 -0.00020761 -0.00039781
0.00031174 0.00869843 0.01079654
-1.76548134 -17.95249147 11.57666591
0.00096498 0.00011389 0.00004020
0.00208744 0.00928473 0.00086650
-2.75380246 -15.80813542 9.92451168
0.00028766 -0.00028230 -0.00019821
-0.00414410 0.00510265 -0.01255205
8.58354549 -0.31247023 -3.14159322
-0.00026225 0.00017978 -0.00134766
-0.00443355 -0.00341143 -0.00974162
7.72942152 1.43418892 -5.38093098
0.00032895 0.00063137 -0.00084928
-0.00201471 0.00495888 -0.00513701
0.25711397 -11.98095201 1.93321144
-0.00008748 -0.00003571 0.00006516
0.01090168 0.00883137 0.00430079
-1.34139040 -10.65550390 -0.16335583
-0.00071259 -0.00053183 0.00037940
0.00555845 0.00438061 -0.00441988
-19.22605828 -0.97847586 6.95220971
-0.00021348 0.00142577 -0.00028616
-0.01598284 0.00496778 -0.00562910
-21.40608187 0.61415906 5.87582030
-0.00070870 0.00086438 -0.00009824
-0.00852436 0.00950650 0.00215565
-5.41305546 8.26458251 -26.70980469
-0.00108728 0.00033420 0.00089182
0.03191721 0.00297685 0.00160898
-5.36255486 7.76206494 -23.72589000
0.00039353 0.00023768 0.00077563
0.01191166 -0.00099386 -0.00654794
4.11185881 1.94720382 -2.23086770
0.00043984 0.00034157 0.00041789
0.00367849 -0.01514599 0.00199033
1.78218369 0.29987137 -1.47444624
-0.00121434 0.00055049 -0.00026325
-0.00455563 -0.02725077 0.00345199
14.87997773 7.69329836 5.89974041
-0.00059537 -0.00008345 -0.00030859
-0.00505892 -0.00695606 0.00152418
15.26032575 9.93642909 4.03342234
-0.00135458 -0.00087701 -0.00046401
-0.00814145 -0.01952350 0.00032242
1.63304305 -11.72159276 -13.96227225
0.00025674 0.00012941 -0.00010905
0.01189140 0.00629223 0.00335426
-13.58268111 14.70039360 22.82631936
-0.00005041 0.00013369 0.00013652
-0.00253239 0.00046254 -0.00088925
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02607895
0.33730619
449.44358277
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1345808545
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3788636245 (a.u.)
total exchange computation time: 2.6166059971 s
-154.2128697066
-931.36166267
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1345808545
ExchangeOperator: bisection time: 1.156 s
total exchange = -52.3783715953 (a.u.)
total exchange computation time: 2.6165368557 s
-154.2179209471
Anderson extrapolation: theta=1.3757846319 (1.3757846319)
-931.36187295
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1345808545
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3775683920 (a.u.)
total exchange computation time: 2.6176960468 s
-154.2257353704
Anderson extrapolation: theta=0.0612670963 (0.0612670963)
-931.36200305
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1345808545
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3774226153 (a.u.)
total exchange computation time: 2.6165769100 s
-154.2269145813
Anderson extrapolation: theta=2.0838130221 (2.0000000000)
-931.36200899
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1345808545
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3771078581 (a.u.)
total exchange computation time: 2.6167459488 s
-154.2293816414
Anderson extrapolation: theta=0.2745270369 (0.2745270369)
-931.36201580
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1345808545
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3770215523 (a.u.)
total exchange computation time: 2.6169719696 s
-154.2299907158
Anderson extrapolation: theta=1.5195172306 (1.5195172306)
-931.36201727
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1345808545
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3769176606 (a.u.)
total exchange computation time: 2.6173901558 s
-154.2306518367
Anderson extrapolation: theta=0.3480120865 (0.3480120865)
-931.36201875
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1345808545
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3769091200 (a.u.)
total exchange computation time: 2.6179170609 s
-154.2306307669
Anderson extrapolation: theta=1.1183945971 (1.1183945971)
-931.36201915
-22.500929 -126.651862 -244.708389
-137.288076 458.418506 -806.521698
-159.789006 331.766645 -1051.230087
1113.861000
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1345808545
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3769202164 (a.u.)
total exchange computation time: 2.6160850525 s
678.97814200
-1084.17981014
89.75033296
-388.72761979
-174.80614421
78.54465162
551.60419304
0.00000000
-931.36201940
-9.15939412 -5.32447328 9.82741758
0.00018120 0.00009355 0.00025058
0.04049286 -0.03086826 0.02168926
-13.75981916 5.02503764 8.90210196
0.00005021 -0.00004573 -0.00010007
-0.00134249 -0.02335791 -0.00322647
-15.87391333 1.52117921 2.96790462
-0.00012387 -0.00011662 0.00003248
-0.01012159 -0.01591206 0.03124413
2.30847822 -19.69558276 13.43126530
-0.00036891 0.00000202 0.00019570
-0.00583743 0.03003287 0.02097611
9.99139874 20.81825499 0.31717875
0.00045063 0.00015267 -0.00032071
-0.02299516 -0.00362253 0.00237436
-11.27992784 12.81834788 15.19306729
-0.00017482 0.00024026 -0.00002585
0.02605903 0.00344756 0.03140047
-5.95853425 1.01929666 -12.85192634
0.00006663 -0.00020625 0.00023865
0.01073291 0.01788204 -0.01757418
-8.88168688 6.77011114 -6.84607677
0.00005124 0.00014047 -0.00014015
-0.00501401 -0.00016170 -0.00813007
-7.30671540 -3.78438437 18.01081532
0.00030781 -0.00005808 -0.00011479
0.00182374 -0.03501639 -0.03396614
-23.55801459 -7.66436633 -23.70866266
-0.00041198 -0.00019412 -0.00039288
-0.00900443 0.03225101 -0.00322603
8.61075155 13.30417640 6.68977721
0.00044567 0.00037679 0.00025125
0.02186586 -0.02346974 -0.02353440
23.00092808 28.73615923 -2.95250790
-0.00033705 -0.00016756 0.00026811
0.01183954 -0.00149676 -0.01900555
9.52079582 0.12530141 -14.70991558
0.00041437 0.00021495 -0.00023325
0.00043726 -0.00491940 -0.00574965
-9.19227105 -1.16721767 12.41721503
-0.00033552 -0.00044040 -0.00028312
-0.00907936 -0.02318074 0.00799710
-2.18256615 -25.92769732 10.54554526
-0.00018181 -0.00006525 0.00002544
0.00075742 0.00253964 -0.02398165
-15.31504010 -4.14291062 -7.35928727
-0.00020506 -0.00020874 -0.00038382
-0.00854170 -0.00709675 -0.02298568
-19.40268049 -11.05965701 -18.26527755
0.00011776 -0.00022743 -0.00012538
-0.00718625 0.00745184 -0.00203841
20.99161220 5.45618785 4.71522946
-0.00029576 0.00032096 0.00012416
0.01534627 0.04943045 0.00682627
19.65945691 -11.49153899 -13.25129181
0.00070515 0.00012878 -0.00003779
-0.01041438 -0.00448547 -0.00658765
-3.28836407 -0.41144780 -6.53134830
-0.00017901 -0.00017700 0.00005646
0.00617819 0.01326897 -0.00191567
-3.63542228 -3.14119617 -17.60985504
0.00028384 0.00015834 0.00000898
-0.00663995 0.03744807 0.01002562
14.29390467 16.42462034 -21.35422728
0.00006429 0.00018136 -0.00009843
-0.01744231 0.01451126 0.00684178
-14.55517717 17.76306088 -13.40815021
0.00006709 0.00030050 -0.00005988
-0.01032576 0.02786249 0.01912183
1.36082991 15.01481676 7.77579060
-0.00028582 -0.00006986 -0.00033532
-0.03859105 0.04678569 0.00487046
-4.27953816 -9.19488446 3.84826497
0.00037372 -0.00001692 -0.00020619
-0.01860613 0.00300939 0.04204209
2.10267637 -5.14560136 2.30885371
-0.00015588 0.00005217 0.00018596
-0.03375260 -0.03570274 0.03826543
9.67231363 7.22043419 4.37373707
-0.00002962 0.00005461 -0.00005654
-0.02801163 0.00467858 -0.02081167
-9.32800501 -10.36172350 -2.54750354
-0.00004158 -0.00028641 0.00027538
-0.00694975 0.00115250 0.01911627
3.40889966 -15.61821192 -13.14072825
-0.00012097 0.00001932 -0.00001863
-0.03054407 -0.00081829 0.02179378
3.86500559 -5.70776213 -3.04396725
0.00002888 0.00009471 0.00031459
-0.02317168 -0.00579977 0.01206388
18.37816861 1.85318174 24.43031625
-0.00011638 -0.00018863 -0.00012050
-0.00196743 0.00441886 0.00901767
-9.00789063 2.40135742 1.54763179
-0.00022528 -0.00033846 0.00003412
0.02510832 0.00158184 -0.01199554
-5.83665888 12.42669944 -9.73410854
0.00033814 -0.00044855 0.00018321
0.01386242 0.00141381 -0.00919501
1.62402027 13.33410718 -7.49317055
0.00007109 0.00014868 0.00021648
-0.00469503 -0.00217891 -0.04618945
-11.26508429 10.03622026 -12.50759756
-0.00038511 0.00012944 0.00006447
0.01176092 0.00501773 -0.00435733
7.84097110 3.83204795 14.65433877
-0.00008327 -0.00027236 0.00007114
-0.01066036 -0.00164924 0.00236789
-15.28031802 10.00506125 -7.61246813
0.00025693 0.00054360 0.00065354
-0.02194841 -0.00217931 -0.00369920
8.48507620 7.64563208 -3.03485788
-0.00046315 -0.00022081 -0.00003052
-0.03398545 0.00657890 -0.04880343
14.14102496 -20.67922154 -26.62866572
-0.00006305 0.00013423 0.00012902
0.01045394 0.02077201 -0.03374963
5.13603286 6.77005286 1.86009434
0.00004737 -0.00023515 0.00025227
-0.00170338 -0.03184120 -0.04756812
18.20855062 -5.83936240 -7.43082911
-0.00006311 0.00004843 0.00020927
-0.01681591 -0.01047307 -0.02027494
-1.97187953 -2.20386803 -1.99223054
-0.00001441 -0.00023912 0.00018820
0.01730370 -0.01988986 0.02269206
2.82193305 -2.15198429 -12.02650067
0.00016606 -0.00023537 -0.00000917
-0.01017785 0.01089974 0.00550250
19.78640586 9.07772676 -6.03174474
0.00016148 -0.00032133 0.00020295
-0.00695890 0.00703430 -0.00862107
-7.71206687 5.71391030 8.62229768
-0.00016100 0.00002437 -0.00036760
0.01234655 -0.04104735 -0.00123501
-1.70769670 -16.12829602 11.35082223
0.00010833 -0.00014546 -0.00005994
0.00497581 -0.01203286 0.01321149
7.63224811 -0.27367300 -4.73687581
0.00018541 0.00050287 0.00019037
0.00072530 0.01257821 0.01525563
-1.06370393 -12.26005127 0.71366936
-0.00015007 -0.00015578 0.00008489
-0.01690066 -0.01425040 -0.00118800
-20.02325392 -0.40373235 5.34580994
0.00003174 0.00033113 0.00013863
0.01429931 -0.00700340 0.00108671
-6.37822438 8.03393563 -25.20753588
0.00025338 0.00023827 -0.00024191
-0.02599190 -0.01011804 0.04899875
2.32576409 1.93069002 -1.90002986
-0.00024378 -0.00013532 -0.00010994
0.01535400 0.03416913 -0.00779811
14.58468387 8.19147994 4.15308114
-0.00010029 0.00013687 0.00008190
0.01171692 0.02210944 -0.01124271
-8.09634614 -6.91153232 10.14544133
-0.00003137 -0.00032371 -0.00067109
-0.02890987 0.03359668 -0.01237785
-10.37891111 -5.59926902 8.54049301
-0.00032221 -0.00005687 0.00042199
-0.00703778 -0.01313681 -0.01149243
-13.21684476 5.58432132 7.22171014
-0.00027751 -0.00108379 -0.00075552
0.00190325 0.00368501 0.00208866
-13.40274885 3.17008280 8.89730996
0.00101238 0.00021871 0.00102559
-0.00488676 0.02303710 -0.00149872
-14.48171064 1.52949804 4.25243646
0.00016509 0.00008293 -0.00013317
-0.02590255 0.00303881 -0.01241331
-17.47154675 0.77657709 3.88067912
0.00030069 0.00019040 0.00056896
0.03325685 0.01675018 -0.01739855
2.36435544 -21.34570474 12.83210463
-0.00067280 -0.00086543 -0.00101345
0.00285994 -0.03840236 -0.02395127
3.43317912 -19.78784390 14.86045733
0.00137620 0.00000838 0.00081667
-0.00013877 0.00637242 0.00020410
9.15681536 19.18889774 -0.02534411
-0.00031506 -0.00051113 -0.00025510
0.01251569 0.00109263 0.00531984
8.73178887 21.66252040 1.42525656
-0.00003535 -0.00099859 -0.00072221
0.00576577 -0.00327133 -0.01196658
-10.43646402 12.06423525 16.80421257
0.00024359 -0.00005211 0.00031693
-0.01742650 0.01284419 -0.02238886
-11.20119863 14.58973891 15.71863301
0.00042781 -0.00097311 0.00022979
-0.00536231 -0.00772357 -0.00989250
-6.04160789 0.15110982 -14.45593808
-0.00032650 0.00016022 0.00035986
-0.00270815 -0.00419476 0.00720735
-7.22789368 0.41665880 -11.67498570
-0.00037518 0.00036689 -0.00152689
-0.00608042 -0.01624710 0.00738937
-7.79765990 8.23783771 -6.95040975
0.00055614 -0.00036279 -0.00115078
-0.00478323 -0.00641234 -0.00496516
-9.77452285 7.04389516 -5.26752884
-0.00014642 0.00149429 0.00040017
-0.00053934 -0.00120673 -0.00179197
-7.60340115 -2.05913643 17.93097956
0.00034429 -0.00108048 -0.00003731
-0.00520366 0.04352630 0.00015369
-7.14017459 -4.24584963 19.72063713
-0.00014878 -0.00025453 -0.00016669
-0.00219485 -0.01295221 0.03096915
-24.46579474 -6.02153764 -23.69258377
0.00114271 0.00061671 -0.00083650
-0.00038830 -0.02045166 0.00117727
-21.90015302 -6.91559167 -23.92832658
0.00019810 -0.00011912 -0.00075138
0.00988190 -0.01011896 -0.00005532
8.67032773 13.13337785 4.81512725
-0.00003070 0.00040194 -0.00103139
-0.00306900 0.00910588 0.02058871
9.76377246 11.89508127 7.30728084
0.00008521 0.00103053 0.00028003
-0.02364672 0.02142256 0.00308895
24.15649399 27.35305542 -2.59884528
-0.00009076 -0.00064368 0.00000984
-0.01770579 0.00201096 0.00092384
22.54910206 29.53080390 -1.39993059
-0.00117808 -0.00100329 0.00076475
-0.00475681 0.01000386 0.01388280
11.15566630 -0.51029084 -14.17303998
-0.00061059 0.00147303 0.00046545
-0.00871650 0.00291971 0.00015395
8.39409382 -1.34608344 -14.54924523
0.00034573 0.00004360 0.00073624
0.01089254 0.00230486 0.00595173
-9.61422242 -1.35986068 14.17607909
0.00039516 0.00058714 0.00062834
0.00067012 0.01389408 0.00494692
-9.31829306 -2.97762223 11.89494742
0.00076557 0.00055510 -0.00079511
0.00526691 0.01538792 -0.01126199
-3.19636391 -26.53681694 11.97086328
0.00058343 -0.00003795 -0.00041373
-0.00267391 -0.00012704 -0.00322239
-3.29800835 -25.54717634 9.11485635
0.00041290 0.00064761 -0.00026067
0.00719549 -0.00209045 0.01394751
-14.96873951 -2.44385101 -6.71274346
-0.00025938 0.00032196 -0.00060805
0.00520656 0.00016010 0.00821806
-16.11322167 -3.82349995 -8.98217364
-0.00017063 -0.00024365 -0.00014110
-0.00041883 -0.00275017 0.00951295
-19.16881755 -9.41545683 -19.07655604
-0.00057177 0.00145116 0.00014319
0.00352761 -0.00833111 0.00540350
-18.24104981 -12.27279938 -18.97976024
-0.00037166 -0.00062798 0.00049935
0.00643934 -0.00118591 -0.00431401
22.47960866 6.30954759 4.01295542
-0.00016703 0.00008483 0.00047889
0.00216383 -0.02506655 -0.00548245
20.35701948 7.08214192 5.39205957
-0.00066773 0.00062379 0.00005065
-0.01521821 -0.02618428 0.00037180
18.53203247 -11.14046350 -11.79137724
-0.00071939 -0.00002185 0.00091713
0.00098324 0.00600060 -0.01681502
19.05309466 -10.58028662 -14.74463262
0.00061879 0.00061443 0.00035491
-0.00473974 0.00203510 0.01631162
-1.75230078 0.56720994 -6.59562926
-0.00055392 -0.00049833 0.00066844
0.00620736 0.00035899 -0.00546680
-4.53507241 0.88725600 -6.20089453
0.00087233 0.00078642 0.00006225
-0.00445022 -0.00820105 0.00275096
-3.26937587 -4.36940441 -18.84416115
-0.00055932 0.00017510 -0.00104743
0.00508423 -0.01215012 -0.01436115
-3.67940431 -1.47713983 -18.50272014
0.00010806 0.00017836 -0.00006119
0.00282719 -0.01590150 0.00639680
14.08942389 18.01325834 -20.42697586
0.00125170 0.00020455 -0.00087266
0.00409364 -0.01305568 -0.00413042
12.48661171 15.84896084 -21.46332254
0.00004283 -0.00059271 0.00060402
0.01873864 0.00247607 -0.00061561
-13.99553492 17.12615408 -11.81042345
-0.00040014 0.00056273 -0.00099092
0.00435659 0.00573125 0.01375711
-14.42014203 16.26244364 -14.35379285
0.00068797 0.00022948 -0.00031728
0.00088549 -0.03871640 -0.03223839
1.90569858 15.97723812 6.31289007
-0.00036577 0.00028187 -0.00001778
0.00700539 -0.01210525 -0.00274416
-0.10631694 16.20378290 8.30684220
0.00054562 -0.00007145 -0.00130385
0.03092927 -0.03857378 -0.00021370
-4.51337405 -7.92973800 2.62601053
0.00017723 0.00029338 0.00041919
-0.01201037 0.01739755 -0.01787872
-3.25788462 -10.39091528 3.06112762
-0.00026478 -0.00012904 -0.00006879
0.02540906 -0.02880898 -0.02351710
1.41815447 -3.74459602 3.19554825
0.00140662 -0.00037422 -0.00118377
-0.01109426 0.01442962 0.01318756
3.20418733 -4.35832832 1.25362030
0.00017295 0.00063288 0.00029393
0.04660622 0.02100259 -0.04662947
8.06396987 7.56744335 3.35914221
-0.00028807 -0.00059815 -0.00109058
0.03726124 -0.01046134 0.01431301
11.21128728 7.89149552 3.57249191
0.00042352 0.00033376 -0.00047034
-0.00872648 -0.00263954 0.00768287
-8.03308823 -11.63213402 -2.13448184
-0.00188029 -0.00036872 0.00008337
-0.00372587 -0.00012386 -0.00968587
-10.25277575 -9.95240598 -0.98947153
0.00026890 0.00022127 0.00092956
0.00273510 0.00177452 -0.01523747
5.12211569 -16.31245981 -13.45087794
-0.00090818 -0.00112491 -0.00108211
-0.00998706 -0.00387340 0.02241655
2.35040024 -16.28035803 -11.64275007
0.00003856 0.00033462 -0.00052054
0.04152409 0.00499721 -0.04138432
4.38698507 -4.70484762 -4.46163833
-0.00047518 -0.00043855 0.00077943
0.01905797 -0.00226563 -0.00261985
5.24410686 -6.62153414 -2.24558972
0.00114475 -0.00011079 0.00059038
0.00725498 0.00686526 -0.00889798
16.65749138 2.50158822 24.60284442
-0.00025462 -0.00090715 0.00015781
-0.00323218 -0.00840770 -0.00957571
19.34396893 3.23870648 25.20095605
0.00041898 0.00044410 -0.00083838
0.00301668 -0.00582664 -0.00390157
-9.57838360 0.67377367 1.31803177
-0.00030031 -0.00026981 -0.00011681
-0.01384353 0.00667876 0.00913956
-9.95710600 3.39797699 2.71958671
-0.00008046 -0.00003161 -0.00019377
-0.01187496 -0.00327279 0.00277924
-5.06775012 13.72718500 -8.63015364
-0.00034940 0.00013382 -0.00041461
-0.00204322 -0.00410962 -0.00059720
-7.53551999 12.16325602 -9.22241195
0.00031966 -0.00026814 -0.00085408
-0.01748650 -0.00059546 0.00707828
1.39730996 11.68617201 -6.82462191
-0.00031173 0.00013937 -0.00031001
-0.00600122 -0.00270448 0.02015183
2.28543787 14.51614551 -6.34411535
0.00090166 -0.00061533 -0.00023779
0.01114551 0.00283406 0.02818909
-10.84837417 8.32105846 -12.91901092
-0.00016080 -0.00125735 0.00046533
0.00058965 -0.00991339 -0.00398931
-11.67208390 9.97036809 -10.75351490
0.00024794 -0.00035425 -0.00027920
-0.00783644 0.00289865 0.01006766
7.16108557 5.27553223 13.71059319
-0.00054288 -0.00069387 0.00118593
0.02041448 -0.01046147 0.00480105
9.65256968 3.64607721 14.54843904
0.00021461 -0.00011489 -0.00026944
-0.00460847 0.01634097 -0.01186998
-14.21197677 11.50173616 -7.51151916
0.00006763 0.00058799 -0.00103767
0.00961104 0.00143855 0.00354688
-16.95623440 10.67039131 -8.00606155
0.00041894 -0.00058360 -0.00011076
0.00977523 -0.00380195 0.00266840
9.23254569 9.24153700 -2.75776025
0.00031540 0.00001309 -0.00071663
0.01898590 0.01987044 0.02087324
7.58905077 8.27913406 -4.66652829
-0.00010501 0.00008542 0.00033980
0.01296409 -0.02493230 0.02855114
14.44652191 -19.03450720 -27.52824818
-0.00037452 -0.00006345 -0.00010412
-0.01071438 -0.02055931 0.01696654
13.65495277 -20.24674433 -24.95509442
0.00064491 0.00037386 0.00079649
-0.00299052 0.01034553 0.01767098
5.09840377 4.84998153 1.96340611
0.00071120 -0.00073421 0.00027466
0.00617822 0.02871572 0.01157316
5.41607037 6.94027883 -0.03681232
0.00006718 0.00028057 0.00014814
0.00075401 0.00684078 0.03645666
19.82800611 -5.33634064 -6.94013136
-0.00091311 0.00127644 0.00018509
0.02851131 0.00087472 0.01378926
17.03044648 -4.95010444 -6.35996299
-0.00041905 0.00045854 0.00018108
-0.01183800 0.00843880 0.01465177
-2.55304138 -0.73233499 -1.17926225
-0.00001081 0.00038997 -0.00011664
-0.00850969 0.02017305 0.02688422
-2.45262842 -1.76324924 -3.64807782
-0.00112528 -0.00037563 0.00064586
-0.00971424 0.00029462 -0.03892264
3.86399867 -3.52691586 -12.52540505
-0.00052789 0.00048491 -0.00002065
0.01582010 -0.01504153 -0.00327283
1.15189310 -2.91849630 -11.82026799
-0.00004331 0.00001043 0.00000637
-0.00421485 0.00447181 0.00165733
19.89925417 8.72771729 -7.80943753
0.00011737 0.00018492 -0.00055177
-0.00092690 -0.00372144 -0.00523966
21.01460514 7.96156769 -5.27805239
0.00078356 -0.00114887 0.00045543
0.00789741 -0.00839001 0.00992842
-7.24372995 3.78043141 8.68067410
-0.00031948 -0.00104245 -0.00068834
-0.00734443 0.03912670 -0.00245164
-6.78617012 6.27959440 10.06444035
0.00051246 -0.00017430 -0.00035739
-0.00062220 0.00760558 0.00898931
-1.75094265 -17.95049857 11.57729542
0.00097290 0.00014782 0.00004402
0.00178910 0.00732222 0.00100582
-2.74961448 -15.81221362 9.92115395
0.00027096 -0.00026205 -0.00024935
-0.00403275 0.00481122 -0.01248163
8.57947585 -0.30987813 -3.16210661
-0.00026911 0.00016635 -0.00136923
0.00107658 -0.00315911 -0.00081920
7.73429403 1.44381145 -5.39382763
0.00032044 0.00064507 -0.00086675
-0.00214907 0.00174474 -0.00341224
0.25613577 -11.98121698 1.93432056
-0.00004362 0.00000050 0.00008191
0.01057062 0.00889014 0.00389901
-1.35190889 -10.66334706 -0.15780020
-0.00069015 -0.00050986 0.00035880
0.00542441 0.00637219 -0.00566561
-19.22975026 -0.95693708 6.94774484
-0.00027433 0.00144232 -0.00030096
-0.01380466 0.00313219 -0.00161814
-21.41697353 0.62741610 5.87441281
-0.00073277 0.00089513 -0.00009378
-0.00325834 0.00554571 0.00002647
-5.42838666 8.26968678 -26.69637805
-0.00094158 0.00034965 0.00087586
0.03940367 0.00458337 -0.00942361
-5.35628694 7.76559970 -23.71445615
0.00043422 0.00023631 0.00073566
0.00800996 0.00032497 -0.01301888
4.11856909 1.95186330 -2.22453830
0.00044486 0.00027750 0.00042821
-0.00121772 -0.01622015 0.00305782
1.76382903 0.30729374 -1.47828926
-0.00123326 0.00043315 -0.00024804
-0.00470858 -0.03019224 0.00399375
14.87089213 7.69183340 5.89515828
-0.00061473 -0.00011248 -0.00029683
-0.00441510 -0.00725224 0.00423144
15.23975763 9.92267570 4.02647213
-0.00138055 -0.00094020 -0.00046251
-0.00457361 -0.01140892 0.00040789
1.63692605 -11.71963471 -13.96389893
0.00026102 0.00013166 -0.00010784
0.01201941 0.00625288 0.00337207
-13.58344160 14.70239972 22.82836557
-0.00005098 0.00013379 0.00013632
-0.00242941 0.00042643 -0.00081791
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02600208
0.33601732
447.72623497
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3789741048 (a.u.)
total exchange computation time: 2.6416859627 s
-154.2142625953
-931.35807729
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1341049216
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3785557333 (a.u.)
total exchange computation time: 2.6417369843 s
-154.2189444936
Anderson extrapolation: theta=1.3720676848 (1.3720676848)
-931.35829192
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1336722553
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3770625397 (a.u.)
total exchange computation time: 2.6267690659 s
-154.2251410717
Anderson extrapolation: theta=-0.1647099014 (-0.1647099014)
-931.35759173
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1336722553
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3771078888 (a.u.)
total exchange computation time: 2.6258080006 s
-154.2248869348
Anderson extrapolation: theta=1.5974488206 (1.5974488206)
-931.35760162
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1336722553
ExchangeOperator: bisection time: 1.156 s
total exchange = -52.3771192460 (a.u.)
total exchange computation time: 2.6274781227 s
-154.2253385316
Anderson extrapolation: theta=0.9051361702 (0.9051361702)
-931.35762129
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1336722553
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3770913093 (a.u.)
total exchange computation time: 2.6269979477 s
-154.2262315565
Anderson extrapolation: theta=0.6473212704 (0.6473212704)
-931.35763563
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1336722553
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3770616918 (a.u.)
total exchange computation time: 2.6267249584 s
-154.2269330750
Anderson extrapolation: theta=0.5445270052 (0.5445270052)
-931.35764178
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1336722553
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3770483722 (a.u.)
total exchange computation time: 2.6270408630 s
-154.2272576708
Anderson extrapolation: theta=0.6441589578 (0.6441589578)
-931.35764394
-22.516632 -126.653536 -244.730471
-137.286129 458.415357 -806.575610
-159.802761 331.761821 -1051.306080
1113.933258
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1336722553
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3770473732 (a.u.)
total exchange computation time: 2.6279349327 s
679.00098464
-1084.21641009
89.74697234
-388.70264538
-174.80949899
78.56251835
551.60419304
0.00000000
-931.35764486
-9.15651985 -5.32318904 9.83126000
0.00020162 0.00007730 0.00026103
0.03889312 -0.03235659 0.01891741
-13.75907114 5.02426164 8.90058849
0.00004968 -0.00005758 -0.00010202
-0.00071733 -0.02271893 -0.00436053
-15.87581038 1.51936851 2.96851240
-0.00012880 -0.00012464 0.00004859
-0.00906509 -0.01526095 0.03140651
2.30292201 -19.69543662 13.43428165
-0.00037006 0.00001469 0.00020762
0.00138807 0.01922140 0.02538080
9.99806952 20.82053110 0.31237728
0.00043826 0.00014898 -0.00032004
-0.02510700 -0.01073107 0.00023253
-11.28244967 12.82196515 15.19280060
-0.00016106 0.00023991 -0.00000960
0.02748191 -0.00482180 0.03179254
-5.95749343 1.01627194 -12.84841441
0.00007321 -0.00019631 0.00022879
0.01486934 0.02076744 -0.02077674
-8.88093758 6.77221753 -6.84821034
0.00004785 0.00014050 -0.00014313
-0.00817683 0.00028266 -0.00345569
-7.30209119 -3.78539060 18.00896250
0.00030920 -0.00007840 -0.00013203
0.00355830 -0.04401297 -0.03307388
-23.56422902 -7.66715370 -23.71456824
-0.00041526 -0.00017691 -0.00039469
-0.00376370 0.03466851 -0.00382587
8.61752092 13.30973772 6.69345519
0.00045623 0.00036549 0.00023704
0.01921284 -0.02047638 -0.03172387
22.99591801 28.73364007 -2.94855952
-0.00033061 -0.00016862 0.00025900
0.01321973 -0.00261739 -0.01641397
9.52701309 0.12850672 -14.71343655
0.00041234 0.00021288 -0.00023677
-0.00832828 -0.00315064 -0.00792365
-9.19733886 -1.17391304 12.41299909
-0.00034023 -0.00045065 -0.00027762
-0.00922895 -0.01668789 0.01339163
-2.18529045 -25.92866625 10.54583428
-0.00018043 -0.00006340 0.00001209
0.00461447 0.00466106 -0.02792415
-15.31814899 -4.14606907 -7.36513323
-0.00020909 -0.00021161 -0.00039490
-0.00711616 -0.00408852 -0.02010828
-19.40094174 -11.06303968 -18.26716614
0.00011359 -0.00022127 -0.00012681
-0.00903710 0.01650831 -0.00351320
20.98723502 5.46119296 4.71711819
-0.00028832 0.00034660 0.00012794
0.01359781 0.05025790 0.00786115
19.66999398 -11.48962463 -13.25188401
0.00069829 0.00012683 -0.00003926
-0.01627246 -0.00309799 0.00087119
-3.29102539 -0.41405165 -6.53050885
-0.00017663 -0.00017041 0.00005559
0.00309460 0.01234984 -0.00147098
-3.63119024 -3.13867662 -17.60968173
0.00028074 0.00017667 0.00001310
-0.00544346 0.03384216 0.00599346
14.29480173 16.42739672 -21.35567742
0.00005540 0.00018777 -0.00009548
-0.01712254 0.01041593 0.00465821
-14.55421069 17.76767584 -13.40897466
0.00006117 0.00031496 -0.00005244
-0.01267959 0.02835848 0.00982222
1.35639377 15.01394930 7.77077952
-0.00030491 -0.00004624 -0.00033319
-0.03565803 0.04505499 0.00344729
-4.27400409 -9.19512662 3.84533427
0.00036381 -0.00001502 -0.00018395
-0.01995287 0.00438360 0.04443486
2.10020792 -5.14495652 2.31179078
-0.00017074 0.00003212 0.00020279
-0.02400395 -0.04225734 0.02716924
9.67176133 7.22127133 4.37280874
-0.00004370 0.00005747 -0.00006822
-0.02676663 0.00644117 -0.02461646
-9.32865555 -10.36601520 -2.54329908
-0.00004711 -0.00028421 0.00028555
-0.01453902 0.00740220 0.02043177
3.40696725 -15.61792529 -13.14092365
-0.00013634 0.00001923 -0.00000809
-0.02923563 0.00048893 0.01918528
3.86534946 -5.70636386 -3.03920191
0.00001803 0.00008986 0.00032294
-0.01902866 -0.01307455 0.02042386
18.37641528 1.85036935 24.42854358
-0.00011673 -0.00018599 -0.00011568
0.00060953 0.00584549 0.00971547
-9.01117303 2.39628660 1.54809729
-0.00021218 -0.00033761 0.00002791
0.02586473 0.00172153 -0.01215118
-5.83153328 12.41997661 -9.73139580
0.00034573 -0.00044801 0.00017808
0.01564531 0.00068666 -0.01075800
1.62506845 13.33632890 -7.49010155
0.00006827 0.00014716 0.00019194
-0.00626936 -0.00371329 -0.04921616
-11.27081555 10.03818115 -12.50664737
-0.00037823 0.00012947 0.00006089
0.01498414 -0.00489528 -0.00954005
7.83968092 3.82795615 14.65541500
-0.00008764 -0.00027439 0.00007299
-0.00634846 -0.00624128 0.00483672
-15.27654868 10.01320681 -7.60267934
0.00024610 0.00054189 0.00065167
-0.02018015 -0.00447510 -0.00354617
8.47799788 7.64234535 -3.03550386
-0.00047989 -0.00021646 -0.00005509
-0.03111641 0.01033913 -0.04677737
14.14011960 -20.67712795 -26.62686063
-0.00005803 0.00014492 0.00011280
0.00903964 0.02079137 -0.02930502
5.13673680 6.76640282 1.86369495
0.00004659 -0.00025196 0.00022780
-0.00131568 -0.03351800 -0.04761239
18.20753912 -5.83867636 -7.42776830
-0.00007312 0.00004320 0.00019918
-0.02212571 -0.00986116 -0.01894712
-1.97202898 -2.20753155 -1.98932000
-0.00000580 -0.00024842 0.00020044
0.01617969 -0.01626084 0.02489545
2.82438476 -2.15547278 -12.02661699
0.00015941 -0.00022827 -0.00000571
-0.01570767 0.01670554 0.00793935
19.78880129 9.07293397 -6.02873379
0.00015928 -0.00031904 0.00019806
-0.00160734 0.00186522 -0.01036372
-7.71443427 5.71411745 8.61677886
-0.00015424 0.00000256 -0.00036780
0.01393387 -0.04373219 0.00046996
-1.70605249 -16.13052439 11.34997413
0.00011087 -0.00015097 -0.00005331
0.00487278 -0.00939862 0.01255569
7.63503213 -0.26608146 -4.73396143
0.00018417 0.00050998 0.00019513
-0.00555351 0.01508248 0.00327146
-1.06602012 -12.26244290 0.71493808
-0.00015855 -0.00016362 0.00008473
-0.01609334 -0.01623111 0.00056237
-20.02272272 -0.39879239 5.34789353
0.00003715 0.00032900 0.00013859
0.00674022 -0.00130138 -0.00121513
-6.37452396 8.03747072 -25.21097553
0.00023893 0.00023223 -0.00021234
-0.03021035 -0.01340514 0.06600421
2.32216662 1.92879205 -1.90170907
-0.00023468 -0.00011707 -0.00011426
0.02003238 0.03681012 -0.00900828
14.58322465 8.19361834 4.15426623
-0.00009537 0.00014603 0.00007547
0.00741761 0.01350095 -0.01374213
-8.09770257 -6.91535850 10.13499562
-0.00014887 -0.00018554 -0.00072027
-0.02860794 0.03403780 -0.01169147
-10.38395998 -5.60052457 8.54647073
-0.00034791 -0.00010884 0.00037849
-0.00554109 -0.01230601 -0.00979966
-13.22094910 5.56817738 7.21044131
-0.00027032 -0.00106849 -0.00074440
0.00161606 0.00380392 0.00335691
-13.38771293 3.17406944 8.91264790
0.00099163 0.00031133 0.00101890
-0.00526697 0.02230104 -0.00177805
-14.48002807 1.53083514 4.25005857
0.00005926 0.00009511 -0.00018456
-0.02590019 0.00292202 -0.01274158
-17.46601727 0.77994641 3.88868034
0.00043426 0.00025799 0.00049781
0.03212610 0.01633428 -0.01743113
2.35435101 -21.35986295 12.81616892
-0.00066024 -0.00099851 -0.00110042
0.00329256 -0.02674171 -0.01861922
3.45381790 -19.78752297 14.87271359
0.00136024 0.00003268 0.00079763
-0.00767362 0.00552236 -0.00952381
9.15247304 19.18126421 -0.02900763
-0.00025712 -0.00049736 -0.00023255
0.01584380 0.00565203 0.00572163
8.73143524 21.64744125 1.41405669
-0.00001389 -0.00100720 -0.00076707
0.00474253 -0.00094188 -0.00999328
-10.43334417 12.06384712 16.80828039
0.00017007 0.00000110 0.00022142
-0.01856241 0.01320643 -0.02435962
-11.19494574 14.57490564 15.72177669
0.00040594 -0.00098807 0.00019279
-0.00534575 0.00039766 -0.00821956
-6.04658844 0.15338459 -14.45031926
-0.00033657 0.00014141 0.00038447
-0.00222138 -0.00501196 0.00483816
-7.23370769 0.42166432 -11.69766268
-0.00040955 0.00029665 -0.00148572
-0.01074600 -0.01813709 0.01276524
-7.78946444 8.23219940 -6.96782356
0.00053739 -0.00038804 -0.00117069
-0.00439364 -0.00594910 -0.00478010
-9.77673561 7.06627255 -5.26158118
-0.00014258 0.00148717 0.00038283
0.00241636 -0.00228149 -0.00669901
-7.59839632 -2.07400979 17.93042467
0.00031951 -0.00088387 -0.00003768
-0.00692576 0.05271418 -0.00033612
-7.14247356 -4.25006448 19.71908573
-0.00015789 -0.00030786 -0.00004084
-0.00226397 -0.01315428 0.03063448
-24.44866596 -6.01291362 -23.70509526
0.00113764 0.00053380 -0.00083089
-0.00209649 -0.02013545 0.00157306
-21.89687865 -6.91768854 -23.93959892
0.00023134 -0.00016600 -0.00075061
0.00638944 -0.01283036 0.00043046
8.66977313 13.13968603 4.80028730
-0.00004273 0.00043959 -0.00093231
-0.00281712 0.00932260 0.02791284
9.76432607 11.91119564 7.31157599
-0.00000667 0.00111162 0.00029360
-0.02133182 0.01827470 0.00355162
24.15459002 27.34346180 -2.59866936
-0.00016738 -0.00063093 0.00001272
-0.01979858 0.00423356 0.00048607
22.53128516 29.51606114 -1.38803390
-0.00119594 -0.00096464 0.00081680
-0.00398815 0.00891542 0.01159688
11.14624040 -0.48810591 -14.16605346
-0.00062997 0.00147828 0.00047123
-0.00076921 -0.00035102 0.00267596
8.39961347 -1.34535889 -14.53801929
0.00039211 0.00005531 0.00075985
0.01181395 0.00343014 0.00560823
-9.60827446 -1.35062786 14.18565577
0.00039981 0.00064172 0.00063709
0.00160698 0.01282235 -0.00066180
-9.30664808 -2.96882425 11.88267563
0.00078491 0.00060727 -0.00083992
0.00419870 0.01015334 -0.01067406
-3.18769440 -26.53739003 11.96455864
0.00056566 -0.00004151 -0.00042002
-0.00602441 -0.00161741 0.00014153
-3.29159431 -25.53752624 9.11137376
0.00044120 0.00063818 -0.00020266
0.00665855 -0.00252624 0.01444687
-14.97247070 -2.43901667 -6.72161233
-0.00023907 0.00031688 -0.00057564
0.00473600 -0.00264585 0.00764651
-16.11579389 -3.82723904 -8.98399858
-0.00017417 -0.00025472 -0.00010592
-0.00131482 -0.00266863 0.00770524
-19.17728600 -9.39394471 -19.07424259
-0.00055755 0.00139926 0.00017139
0.00343179 -0.01707472 0.00839931
-18.24642740 -12.28225537 -18.97240220
-0.00034157 -0.00063320 0.00047827
0.00828844 -0.00137115 -0.00600241
22.47716948 6.31005198 4.01997077
-0.00015671 -0.00001594 0.00045611
0.00288875 -0.02426314 -0.00566691
20.34653724 7.09069640 5.39283074
-0.00072778 0.00051347 0.00005022
-0.01417947 -0.02781641 -0.00058284
18.52127178 -11.14060730 -11.77813549
-0.00070418 -0.00000028 0.00083506
0.00646002 0.00455696 -0.02336220
19.06223121 -10.57100784 -14.73880917
0.00059932 0.00062294 0.00042002
-0.00478834 0.00213313 0.01556003
-1.76041941 0.55974606 -6.58577017
-0.00051960 -0.00049414 0.00064537
0.01059328 0.00168841 -0.00582455
-4.52212389 0.89880102 -6.19987655
0.00085141 0.00075222 0.00007347
-0.00578953 -0.00853957 0.00274426
-3.27760992 -4.36715025 -18.86031262
-0.00054076 0.00013261 -0.00109828
0.00400072 -0.00864816 -0.01052965
-3.67769675 -1.47495173 -18.50344190
0.00011965 0.00011384 -0.00003449
0.00284513 -0.01568273 0.00667073
14.10832486 18.01592658 -20.44019239
0.00126545 0.00015691 -0.00088567
0.00263811 -0.01026460 -0.00223721
12.48782841 15.84014604 -21.45428108
0.00012141 -0.00057936 0.00060228
0.01972527 0.00406009 -0.00023688
-14.00140345 17.13477069 -11.82486573
-0.00037707 0.00058044 -0.00091832
0.00693259 0.00293725 0.02177997
-14.40979530 16.26469952 -14.35953993
0.00069120 0.00007655 -0.00044620
0.00069660 -0.03614726 -0.03086778
1.90042668 15.98109516 6.31253932
-0.00033500 0.00023220 -0.00003099
0.00805647 -0.01220820 -0.00372243
-0.09718492 16.20152913 8.28727784
0.00066390 -0.00022495 -0.00130006
0.02697041 -0.03656301 0.00206987
-4.51108364 -7.92480417 2.63175053
0.00012866 0.00036512 0.00034448
-0.01176536 0.01772045 -0.01869493
-3.26107766 -10.39373361 3.05937516
-0.00015869 -0.00024925 -0.00016755
0.02652185 -0.03003890 -0.02482779
1.43891375 -3.74976712 3.17819588
0.00134763 -0.00029412 -0.00111314
-0.01777903 0.02477638 0.02138192
3.20820971 -4.34819153 1.25660044
0.00035664 0.00071021 0.00010955
0.04331047 0.01684946 -0.04362897
8.06079061 7.55815058 3.34322215
-0.00013233 -0.00064127 -0.00102845
0.03897496 -0.01064633 0.01609800
11.21737269 7.89642099 3.56567227
0.00038121 0.00031930 -0.00043488
-0.01198487 -0.00443878 0.00967531
-8.06140681 -11.63766869 -2.13352813
-0.00188240 -0.00038034 0.00004735
0.00269380 -0.00556081 -0.00794373
-10.24865847 -9.94903250 -0.97599503
0.00028230 0.00022732 0.00086120
0.00382422 0.00118704 -0.01822632
5.10818702 -16.32945210 -13.46642273
-0.00094802 -0.00114025 -0.00099000
-0.00951648 -0.00363833 0.02267609
2.35225101 -16.27518563 -11.65182630
0.00020440 0.00035201 -0.00068430
0.03965986 0.00351450 -0.03877794
4.38044137 -4.71149534 -4.45002715
-0.00039386 -0.00044020 0.00075821
0.02074809 0.00145740 -0.00776665
5.26150044 -6.62298556 -2.23700664
0.00116233 -0.00007539 0.00054774
0.00135025 0.01046173 -0.01197545
16.65357303 2.48772327 24.60491821
-0.00026841 -0.00093978 0.00011926
-0.00352045 -0.00756114 -0.00929471
19.35034599 3.24518940 25.18826079
0.00042658 0.00041620 -0.00085612
0.00070821 -0.00782849 -0.00478281
-9.58331250 0.66993121 1.31655970
-0.00035752 -0.00024291 -0.00007935
-0.01416013 0.00648585 0.00919780
-9.95867679 3.39740256 2.71676534
-0.00012952 -0.00004482 -0.00018206
-0.01213773 -0.00319259 0.00295476
-5.07305369 13.72906634 -8.63639114
-0.00035592 0.00011890 -0.00041490
-0.00114904 -0.00319533 0.00045555
-7.53126086 12.15921564 -9.23500625
0.00024386 -0.00027122 -0.00082421
-0.01962006 -0.00091202 0.00754513
1.39245017 11.68817974 -6.82865456
-0.00033642 0.00012647 -0.00022693
-0.00608701 -0.00361205 0.02051646
2.29930429 14.50700238 -6.34681842
0.00095032 -0.00059876 -0.00011767
0.01267636 0.00527765 0.03061172
-10.85076811 8.30189442 -12.91215329
-0.00016301 -0.00127854 0.00045191
-0.00166922 -0.00046036 -0.00257605
-11.66860495 9.96514309 -10.75739446
0.00021398 -0.00034146 -0.00023007
-0.00878903 0.00336577 0.01398220
7.15356789 5.26480359 13.72852931
-0.00046315 -0.00072774 0.00119946
0.01861657 -0.00611661 0.00181807
9.65564766 3.64485466 14.54403365
0.00019101 -0.00004720 -0.00031754
-0.00694464 0.01679083 -0.01167556
-14.21066785 11.51060012 -7.52697549
0.00010736 0.00059530 -0.00102271
0.00983847 0.00213811 0.00377337
-16.94965071 10.66152073 -8.00764112
0.00045384 -0.00059652 -0.00010097
0.00730676 -0.00252012 0.00212211
9.23785854 9.24234220 -2.76787000
0.00038979 0.00008635 -0.00063191
0.01742512 0.01599279 0.02059483
7.58787289 8.27965133 -4.66055635
-0.00005424 -0.00001663 0.00045582
0.01188610 -0.02501959 0.02824017
14.44057574 -19.03608888 -27.52929013
-0.00041775 -0.00014542 -0.00003534
-0.01044537 -0.01956894 0.01670449
13.66453480 -20.24081935 -24.94260564
0.00063512 0.00041408 0.00085987
-0.00180010 0.00933931 0.01335515
5.10926106 4.83984830 1.96788058
0.00073616 -0.00061279 0.00032094
0.00603962 0.03071856 0.01108191
5.41710111 6.94469702 -0.03347310
0.00006978 0.00030734 0.00029781
0.00052232 0.00626345 0.03681058
19.81518309 -5.31716723 -6.93693240
-0.00078942 0.00128209 0.00024268
0.03203639 0.00188934 0.01439837
17.02379797 -4.94296774 -6.35679788
-0.00046403 0.00048895 0.00023637
-0.01018229 0.00644821 0.01241485
-2.55346424 -0.72586729 -1.18018810
-0.00004268 0.00046578 -0.00000928
-0.00709403 0.01693534 0.02567364
-2.46980531 -1.76887462 -3.63958267
-0.00116527 -0.00037517 0.00048473
-0.00985873 -0.00007152 -0.03994932
3.85656515 -3.52010313 -12.52581504
-0.00045405 0.00041149 -0.00003855
0.02032415 -0.02089851 -0.00549126
1.15111431 -2.91820278 -11.82012169
-0.00005941 0.00002898 0.00001314
-0.00366672 0.00460730 0.00165929
19.90098637 8.73037698 -7.81787458
0.00011374 0.00017097 -0.00056219
-0.00085261 -0.00310451 0.00013527
21.02660053 7.94407757 -5.27091665
0.00080533 -0.00117363 0.00048862
0.00275805 -0.00373244 0.00631688
-7.24874727 3.76599366 8.67027391
-0.00034985 -0.00087509 -0.00069711
-0.00751992 0.04279618 -0.00184264
-6.77850234 6.27721292 10.05935495
0.00050758 -0.00014567 -0.00032494
-0.00176454 0.00640876 0.00689644
-1.73629432 -17.94805691 11.57798657
0.00097965 0.00017316 0.00004846
0.00151625 0.00508110 0.00116688
-2.74567364 -15.81599696 9.91703127
0.00025538 -0.00024323 -0.00029927
-0.00359328 0.00440066 -0.01195760
8.57547220 -0.30747964 -3.18267020
-0.00025223 0.00015382 -0.00135264
0.00718431 -0.00297447 0.00894173
7.73903483 1.45354091 -5.40693341
0.00031139 0.00064564 -0.00087703
-0.00228483 -0.00146219 -0.00162313
0.25580540 -11.98093711 1.93566864
-0.00000170 0.00003675 0.00009652
0.00994836 0.00885813 0.00325336
-1.36209495 -10.67079969 -0.15259179
-0.00066832 -0.00048006 0.00033327
0.00526472 0.00821649 -0.00683290
-19.23428827 -0.93520633 6.94318081
-0.00032578 0.00145120 -0.00029856
-0.01137733 0.00121439 0.00279487
-21.42806489 0.64101301 5.87300693
-0.00073535 0.00090967 -0.00009792
0.00199191 0.00157148 -0.00205371
-5.44130296 8.27507195 -26.68352896
-0.00076565 0.00037186 0.00081476
0.04671464 0.00629177 -0.02048319
-5.34952812 7.76915437 -23.70382018
0.00045962 0.00024012 0.00067036
0.00442127 0.00153878 -0.01894619
4.12520474 1.95552870 -2.21802149
0.00043038 0.00020915 0.00044264
-0.00587115 -0.01723400 0.00400935
1.74518581 0.31286575 -1.48188752
-0.00125213 0.00030645 -0.00023130
-0.00452834 -0.03182429 0.00420245
14.86153595 7.68992397 5.89083547
-0.00063152 -0.00014262 -0.00027441
-0.00380471 -0.00750238 0.00674195
15.21890922 9.90822310 4.01954692
-0.00139202 -0.00096946 -0.00046084
-0.00103829 -0.00291429 0.00041292
1.64087357 -11.71764310 -13.96550751
0.00026535 0.00013389 -0.00010663
0.01218034 0.00624945 0.00339982
-13.58421056 14.70440732 22.83040892
-0.00005153 0.00013389 0.00013614
-0.00231569 0.00038959 -0.00075519
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02465771
0.33298715
443.68868276
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3800998938 (a.u.)
total exchange computation time: 2.6348738670 s
-154.2072827065
-931.35266995
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.156 s
total exchange = -52.3795019347 (a.u.)
total exchange computation time: 2.6368360519 s
-154.2129139497
Anderson extrapolation: theta=1.4147586306 (1.4147586306)
-931.35289536
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3784853779 (a.u.)
total exchange computation time: 2.6344530582 s
-154.2217859451
Anderson extrapolation: theta=0.0763310085 (0.0763310085)
-931.35304210
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3782785271 (a.u.)
total exchange computation time: 2.6347570419 s
-154.2231814085
Anderson extrapolation: theta=2.2628747588 (2.0000000000)
-931.35305095
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.156 s
total exchange = -52.3778300223 (a.u.)
total exchange computation time: 2.6334030628 s
-154.2260678492
Anderson extrapolation: theta=0.3591587822 (0.3591587822)
-931.35306198
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3776699892 (a.u.)
total exchange computation time: 2.6351850033 s
-154.2269790754
Anderson extrapolation: theta=1.0059325867 (1.0059325867)
-931.35306458
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3775374785 (a.u.)
total exchange computation time: 2.6342430115 s
-154.2276172695
Anderson extrapolation: theta=0.4671223731 (0.4671223731)
-931.35306636
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3775066387 (a.u.)
total exchange computation time: 2.6341581345 s
-154.2276491704
Anderson extrapolation: theta=0.8185350972 (0.8185350972)
-931.35306696
-22.523706 -126.650321 -244.753191
-137.281438 458.411917 -806.629000
-159.805143 331.761596 -1051.382191
1114.005365
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3775060132 (a.u.)
total exchange computation time: 2.6263699532 s
679.01563743
-1084.24290727
89.74564998
-388.68289385
-174.81104755
78.57833562
551.60419304
0.00000000
-931.35306727
-9.15334554 -5.32215443 9.83524837
0.00022087 0.00006051 0.00026985
0.03597845 -0.03292733 0.01537629
-13.75832865 5.02331037 8.89904138
0.00004945 -0.00006892 -0.00010457
-0.00019293 -0.02138689 -0.00554071
-15.87777736 1.51744007 2.96936246
-0.00013315 -0.00013223 0.00006454
-0.00786391 -0.01424800 0.03059578
2.29737651 -19.69514218 13.43749380
-0.00036769 0.00002165 0.00022140
0.00783189 0.00784860 0.02821112
10.00454661 20.82272443 0.30757760
0.00042498 0.00014178 -0.00032049
-0.02654650 -0.01728183 -0.00200127
-11.28475949 12.82554522 15.19277918
-0.00014668 0.00023524 0.00000661
0.02840588 -0.01335501 0.03125198
-5.95633790 1.01340745 -12.84506276
0.00008182 -0.00018498 0.00021746
0.01860554 0.02329681 -0.02325549
-8.88025137 6.77432609 -6.85037058
0.00004285 0.00014074 -0.00014377
-0.01128623 0.00066952 0.00095113
-7.29743952 -3.78673637 18.00685453
0.00031140 -0.00010285 -0.00014847
0.00502373 -0.05105319 -0.03087902
-23.57047248 -7.66967362 -23.72050334
-0.00041582 -0.00015865 -0.00039682
0.00159289 0.03633260 -0.00444622
8.62443851 13.31514107 6.69688843
0.00046524 0.00035596 0.00021889
0.01579693 -0.01657856 -0.03884139
22.99100992 28.73110073 -2.94473777
-0.00032362 -0.00017007 0.00025137
0.01394981 -0.00304283 -0.01327110
9.53316611 0.13168772 -14.71701865
0.00040576 0.00021176 -0.00024147
-0.01728689 -0.00118064 -0.01036028
-9.20247786 -1.18073716 12.40888646
-0.00034499 -0.00045737 -0.00026936
-0.00930820 -0.00944839 0.01871643
-2.18797914 -25.92959922 10.54590788
-0.00017700 -0.00006048 -0.00000316
0.00872387 0.00666360 -0.03136334
-15.32131278 -4.14925905 -7.37113432
-0.00021233 -0.00021295 -0.00040439
-0.00548750 -0.00110534 -0.01680157
-19.39927270 -11.06629499 -18.26908183
0.00010850 -0.00021075 -0.00012890
-0.01077550 0.02439255 -0.00461795
20.98296274 5.46658580 4.71906757
-0.00028181 0.00037238 0.00013219
0.01171710 0.05000011 0.00869217
19.68040551 -11.48773416 -13.25246948
0.00068861 0.00012550 -0.00003709
-0.02135352 -0.00207561 0.00754455
-3.29366284 -0.41656022 -6.52968074
-0.00017580 -0.00016430 0.00005494
0.00013263 0.01141203 -0.00103003
-3.62700019 -3.13589599 -17.60946217
0.00027825 0.00019289 0.00001506
-0.00421106 0.02921969 0.00165442
14.29556669 16.43025344 -21.35709161
0.00004681 0.00019199 -0.00009369
-0.01629253 0.00600034 0.00230230
-14.55334202 17.77250958 -13.40972333
0.00005412 0.00032925 -0.00005000
-0.01474190 0.02723971 -0.00034197
1.35168254 15.01342943 7.76579504
-0.00032218 -0.00002383 -0.00033184
-0.03149114 0.04211675 0.00177423
-4.26862395 -9.19533495 3.84274638
0.00035353 -0.00001260 -0.00016096
-0.02001379 0.00501318 0.04499583
2.09755430 -5.14463769 2.31493745
-0.00018014 0.00000912 0.00021351
-0.01257554 -0.04718458 0.01451315
9.67100254 7.22215816 4.37169050
-0.00005700 0.00006112 -0.00008164
-0.02495553 0.00778479 -0.02758432
-9.32941824 -10.37024980 -2.53893701
-0.00005648 -0.00027871 0.00029621
-0.02191093 0.01396681 0.02103174
3.40480931 -15.61763490 -13.14097104
-0.00015078 0.00001992 0.00000081
-0.02689332 0.00218265 0.01544995
3.86554654 -5.70506645 -3.03427902
0.00000927 0.00008142 0.00033543
-0.01504189 -0.01973102 0.02814093
18.37466664 1.84760204 24.42684587
-0.00011578 -0.00018266 -0.00011056
0.00308201 0.00710940 0.01018786
-9.01425589 2.39122905 1.54846905
-0.00019877 -0.00033664 0.00002170
0.02624937 0.00207219 -0.01199245
-5.82628698 12.41325908 -9.72876606
0.00035399 -0.00044791 0.00017223
0.01645516 -0.00029915 -0.01198476
1.62606827 13.33852198 -7.48741223
0.00006474 0.00014498 0.00016621
-0.00743701 -0.00478398 -0.05086990
-11.27643122 10.04010428 -12.50577077
-0.00036979 0.00012456 0.00005485
0.01783845 -0.01418156 -0.01394244
7.83834177 3.82381620 14.65652855
-0.00008975 -0.00027886 0.00007619
-0.00185787 -0.01113405 0.00757716
-15.27293502 10.02131785 -7.59291790
0.00023635 0.00053917 0.00064996
-0.01772270 -0.00607869 -0.00312448
8.47067952 7.63913839 -3.03651072
-0.00049487 -0.00021007 -0.00007827
-0.02714954 0.01447740 -0.04334342
14.13928398 -20.67487396 -26.62528162
-0.00005382 0.00015546 0.00009918
0.00733276 0.02019463 -0.02368865
5.13743058 6.76249420 1.86692825
0.00004600 -0.00026941 0.00020359
-0.00099478 -0.03435273 -0.04651015
18.20635693 -5.83806639 -7.42485365
-0.00008551 0.00003847 0.00018996
-0.02605732 -0.00855279 -0.01690688
-1.97205360 -2.21132052 -1.98621740
0.00000202 -0.00025552 0.00021349
0.01423759 -0.01136570 0.02585607
2.82671530 -2.15883239 -12.02667207
0.00015006 -0.00021836 -0.00000106
-0.02065621 0.02185019 0.01016468
19.79118432 9.06815557 -6.02580280
0.00015977 -0.00031938 0.00019232
0.00350863 -0.00319716 -0.01198859
-7.71669418 5.71398721 8.61126366
-0.00014670 -0.00002031 -0.00036708
0.01538617 -0.04523128 0.00234347
-1.70437068 -16.13282527 11.34922290
0.00011325 -0.00015503 -0.00004715
0.00437745 -0.00635768 0.01138537
7.63777330 -0.25837358 -4.73102180
0.00017959 0.00051835 0.00019358
-0.01226446 0.01744733 -0.00932370
-1.06846047 -12.26495974 0.71621113
-0.00016653 -0.00017237 0.00008549
-0.01492468 -0.01781954 0.00242471
-20.02213953 -0.39386246 5.34996774
0.00003865 0.00032977 0.00013727
-0.00089012 0.00429234 -0.00394526
-6.37105660 8.04090239 -25.21390597
0.00022239 0.00022456 -0.00017449
-0.03410459 -0.01640665 0.08118047
2.31872370 1.92717806 -1.90345777
-0.00022341 -0.00009789 -0.00011907
0.02379534 0.03775898 -0.00967550
14.58182265 8.19586090 4.15534531
-0.00009273 0.00015038 0.00006788
0.00285032 0.00341100 -0.01577885
-8.10081227 -6.91709864 10.12383338
-0.00026384 -0.00004735 -0.00076624
-0.02767157 0.03360953 -0.01081158
-10.38934844 -5.60253430 8.55184786
-0.00036673 -0.00015706 0.00034276
-0.00366894 -0.01129698 -0.00769506
-13.22495440 5.55226656 7.19937820
-0.00026434 -0.00105273 -0.00072796
0.00130948 0.00391079 0.00468805
-13.37299981 3.17942283 8.92787687
0.00096960 0.00039990 0.00101111
-0.00552090 0.02105152 -0.00203260
-14.47993283 1.53235132 4.24689979
-0.00004542 0.00010680 -0.00023635
-0.02534193 0.00280169 -0.01261232
-17.45851891 0.78431679 3.89561328
0.00056206 0.00032331 0.00042715
0.03043005 0.01563791 -0.01715580
2.34454837 -21.37566005 12.79909210
-0.00064577 -0.00108323 -0.00116502
0.00378767 -0.01473017 -0.01300427
3.47398640 -19.78686359 14.88438617
0.00131488 0.00005341 0.00074118
-0.01453172 0.00462895 -0.01810559
9.14910172 19.17397708 -0.03232049
-0.00018622 -0.00046617 -0.00020862
0.01886454 0.00961136 0.00598937
8.73137227 21.63230438 1.40224436
0.00000288 -0.00100614 -0.00080350
0.00346583 0.00145945 -0.00783878
-10.43136193 12.06426836 16.81085531
0.00009251 0.00005520 0.00011891
-0.01940392 0.01327589 -0.02582263
-11.18902046 14.56009675 15.72441662
0.00038435 -0.00096884 0.00016304
-0.00522269 0.00901439 -0.00633943
-6.05170514 0.15535219 -14.44440392
-0.00034456 0.00011921 0.00039911
-0.00168737 -0.00585498 0.00232913
-7.24018027 0.42555828 -11.71955733
-0.00046235 0.00021925 -0.00142348
-0.01509681 -0.01975167 0.01770281
-7.78153825 8.22619649 -6.98553033
0.00052033 -0.00041127 -0.00118975
-0.00395600 -0.00542331 -0.00455028
-9.77880029 7.08851012 -5.25604408
-0.00012701 0.00147560 0.00034599
0.00520396 -0.00338122 -0.01133032
-7.59381594 -2.08565249 17.92984918
0.00028842 -0.00065400 -0.00003973
-0.00829313 0.05980885 -0.00066775
-7.14491127 -4.25508551 19.71941180
-0.00016751 -0.00036123 0.00008112
-0.00244573 -0.01296718 0.02906826
-24.43166566 -6.00552362 -23.71751034
0.00112540 0.00045299 -0.00082369
-0.00389376 -0.01942274 0.00194867
-21.89321270 -6.92057174 -23.95084488
0.00025050 -0.00022360 -0.00074784
0.00298825 -0.01536485 0.00092565
8.66904588 13.14656555 4.78715803
-0.00005352 0.00047782 -0.00080577
-0.00246430 0.00939032 0.03402574
9.76357234 11.92843000 7.31608881
-0.00008800 0.00117863 0.00030957
-0.01848114 0.01452285 0.00426564
24.15147266 27.33412764 -2.59846366
-0.00025176 -0.00060996 0.00001400
-0.02150566 0.00602844 0.00013960
22.51322383 29.50186476 -1.37542649
-0.00121030 -0.00093087 0.00085834
-0.00304105 0.00761183 0.00873690
11.13676735 -0.46594251 -14.15890294
-0.00061611 0.00147023 0.00048786
0.00754987 -0.00359068 0.00546045
8.40585716 -1.34442411 -14.52644965
0.00044183 0.00007123 0.00078202
0.01252498 0.00436059 0.00524370
-9.60222801 -1.34060921 14.19519190
0.00040813 0.00069156 0.00062320
0.00246210 0.01157917 -0.00614105
-9.29474578 -2.95940401 11.86974967
0.00079999 0.00063714 -0.00088250
0.00318511 0.00446426 -0.01016687
-3.17939410 -26.53806224 11.95826267
0.00053431 -0.00005121 -0.00041241
-0.00932410 -0.00313230 0.00358228
-3.28477220 -25.52803096 9.10877656
0.00046679 0.00062720 -0.00014341
0.00586578 -0.00284631 0.01455727
-14.97591164 -2.43434449 -6.73001258
-0.00022069 0.00030038 -0.00054561
0.00425931 -0.00543474 0.00705354
-16.11844669 -3.83114167 -8.98535129
-0.00018167 -0.00026528 -0.00007870
-0.00235572 -0.00249877 0.00561995
-19.18554414 -9.37347904 -19.07141438
-0.00054338 0.00131358 0.00021076
0.00350672 -0.02486830 0.01087254
-18.25129703 -12.29179539 -18.96541202
-0.00030438 -0.00063895 0.00045068
0.00991696 -0.00144154 -0.00750501
22.47490734 6.30906938 4.02663883
-0.00014315 -0.00011292 0.00043254
0.00375157 -0.02320897 -0.00587359
20.33518600 7.09754611 5.39356619
-0.00078374 0.00039773 0.00004623
-0.01321306 -0.02883982 -0.00137070
18.51090701 -11.14047182 -11.76632552
-0.00066796 0.00001587 0.00072845
0.01126965 0.00334522 -0.02882502
19.07107429 -10.56159834 -14.73203210
0.00057957 0.00063204 0.00048152
-0.00488101 0.00232129 0.01454359
-1.76788881 0.55238566 -6.57626804
-0.00046777 -0.00048469 0.00062093
0.01478023 0.00293903 -0.00613856
-4.50953019 0.90982268 -6.19869038
0.00082516 0.00071672 0.00008465
-0.00706107 -0.00884023 0.00272517
-3.28559879 -4.36542611 -18.87710942
-0.00052666 0.00010520 -0.00113251
0.00290520 -0.00477159 -0.00622673
-3.67581483 -1.47372476 -18.50375484
0.00013129 0.00005111 -0.00000714
0.00285414 -0.01502384 0.00671688
14.12738751 18.01796575 -20.45354602
0.00127331 0.00012139 -0.00089058
0.00120517 -0.00712406 -0.00016707
12.49025400 15.83158007 -21.44525415
0.00020313 -0.00055983 0.00060200
0.02027723 0.00550119 0.00009957
-14.00684710 17.14356731 -11.83797320
-0.00034371 0.00058671 -0.00081365
0.00940083 0.00013221 0.02945744
-14.39940588 16.26474007 -14.36717879
0.00069345 -0.00006314 -0.00056732
0.00040273 -0.03223185 -0.02842421
1.89564854 15.98420402 6.31196044
-0.00029996 0.00018228 -0.00004830
0.00909834 -0.01222653 -0.00475090
-0.08639998 16.19703454 8.26784033
0.00076407 -0.00036843 -0.00128643
0.02206390 -0.03367281 0.00460260
-4.50951428 -7.91878432 2.63634479
0.00008143 0.00043651 0.00026783
-0.01135173 0.01722414 -0.01882534
-3.26264527 -10.39839292 3.05610109
-0.00005049 -0.00037188 -0.00026997
0.02643983 -0.02998753 -0.02530508
1.45858342 -3.75341976 3.16215392
0.00126236 -0.00017202 -0.00100996
-0.02396003 0.03499321 0.02912762
3.21488642 -4.33702211 1.25690674
0.00052303 0.00076806 -0.00005903
0.03813904 0.01147135 -0.03888916
8.05999998 7.54820534 3.32828867
0.00002882 -0.00068467 -0.00095991
0.03991077 -0.01059876 0.01745152
11.22272360 7.90107442 3.55944560
0.00032651 0.00029787 -0.00039170
-0.01479039 -0.00604837 0.01145859
-8.08956029 -11.64354416 -2.13306125
-0.00185802 -0.00041499 0.00001874
0.00923889 -0.01140136 -0.00606233
-10.24430681 -9.94558626 -0.96363555
0.00029966 0.00023114 0.00078171
0.00467614 0.00068011 -0.02068335
5.09367511 -16.34666737 -13.48057780
-0.00098594 -0.00115450 -0.00089711
-0.00904804 -0.00333661 0.02279439
2.35653237 -16.26979784 -11.66327910
0.00036094 0.00036254 -0.00083527
0.03696701 0.00164015 -0.03512075
4.37516924 -4.71805374 -4.43889196
-0.00030601 -0.00042694 0.00071635
0.02225683 0.00503340 -0.01272669
5.27897677 -6.62379581 -2.22915750
0.00115666 -0.00002617 0.00049330
-0.00412535 0.01363192 -0.01467120
16.64943893 2.47339494 24.60642235
-0.00028328 -0.00096886 0.00008192
-0.00375462 -0.00667411 -0.00898653
19.35676647 3.25119254 25.17527241
0.00042488 0.00038048 -0.00087714
-0.00154333 -0.00965606 -0.00550730
-9.58910923 0.66648625 1.31565133
-0.00041592 -0.00021699 -0.00004178
-0.01442547 0.00620405 0.00919295
-9.96099145 3.39663247 2.71412505
-0.00017919 -0.00005792 -0.00017006
-0.01217701 -0.00322268 0.00291828
-5.07842768 13.73075186 -8.64260072
-0.00035878 0.00010780 -0.00041090
-0.00025180 -0.00223394 0.00150434
-7.52820417 12.15511936 -9.24713813
0.00016107 -0.00027528 -0.00079303
-0.02090714 -0.00107529 0.00771492
1.38721733 11.68996609 -6.83142984
-0.00036139 0.00011067 -0.00014286
-0.00613384 -0.00412376 0.02063875
2.31394761 14.49818270 -6.34764542
0.00100436 -0.00057387 0.00001059
0.01377489 0.00690732 0.03217054
-10.85326435 8.28270217 -12.90545354
-0.00017412 -0.00126237 0.00044389
-0.00376998 0.00837604 -0.00134938
-11.66566463 9.96012437 -10.76041710
0.00017648 -0.00032689 -0.00016607
-0.00956744 0.00376627 0.01734766
7.14719115 5.25370008 13.74657685
-0.00039151 -0.00074291 0.00120048
0.01644980 -0.00131150 -0.00131822
9.65830003 3.64466116 14.53891270
0.00015836 0.00002210 -0.00036470
-0.00903668 0.01713305 -0.01140639
-14.20875597 11.51959511 -7.54220057
0.00014758 0.00060472 -0.00100667
0.00985000 0.00247178 0.00408024
-16.94261923 10.65249571 -8.00909064
0.00047792 -0.00060417 -0.00009352
0.00448224 -0.00122333 0.00152686
9.24423931 9.24412754 -2.77671758
0.00045685 0.00014247 -0.00054896
0.01540354 0.01147575 0.02000900
7.58742345 8.27863525 -4.65285367
-0.00000945 -0.00011730 0.00056559
0.01004322 -0.02425914 0.02549167
14.43398942 -19.03886986 -27.52930832
-0.00045957 -0.00022203 0.00003151
-0.01002548 -0.01793020 0.01601716
13.67400650 -20.23432199 -24.92929838
0.00063034 0.00044979 0.00090460
-0.00054183 0.00814351 0.00854199
5.12048850 4.83159771 1.97303421
0.00076039 -0.00048464 0.00036514
0.00582128 0.03201482 0.01055741
5.41816386 6.94949907 -0.02787790
0.00007159 0.00033180 0.00044715
0.00036000 0.00570740 0.03629019
19.80432346 -5.29787803 -6.93285102
-0.00065443 0.00129105 0.00030184
0.03404308 0.00249622 0.01456125
17.01652544 -4.93543585 -6.35287191
-0.00050170 0.00051084 0.00028217
-0.00825355 0.00426529 0.01000455
-2.55432188 -0.71836169 -1.17954051
-0.00006822 0.00052677 0.00009196
-0.00540631 0.01292127 0.02388207
-2.48758640 -1.77450439 -3.63353586
-0.00120502 -0.00037671 0.00032282
-0.00959928 -0.00067995 -0.03930980
3.85037723 -3.51457119 -12.52656156
-0.00036287 0.00031545 -0.00006511
0.02430995 -0.02611504 -0.00750881
1.15011080 -2.91762691 -11.81987370
-0.00007322 0.00004799 0.00001988
-0.00309170 0.00469774 0.00163760
19.90266632 8.73284641 -7.82630334
0.00011042 0.00015938 -0.00055105
-0.00077335 -0.00256927 0.00531875
21.03876496 7.92635870 -5.26339378
0.00080650 -0.00117965 0.00050736
-0.00218504 0.00078695 0.00285412
-7.25422545 3.75417873 8.65976079
-0.00038059 -0.00069443 -0.00070340
-0.00752900 0.04563787 -0.00123653
-6.77094271 6.27522422 10.05469219
0.00049774 -0.00012201 -0.00030139
-0.00305408 0.00517390 0.00462961
-1.72155306 -17.94530385 11.57874924
0.00098533 0.00018894 0.00005357
0.00126315 0.00264598 0.00133461
-2.74195303 -15.81951060 9.91217576
0.00024218 -0.00022631 -0.00034621
-0.00286877 0.00388242 -0.01101669
8.57190885 -0.30526344 -3.20268579
-0.00020956 0.00014191 -0.00129513
0.01370398 -0.00285876 0.01920732
7.74363561 1.46318075 -5.42013866
0.00030181 0.00063345 -0.00087999
-0.00240247 -0.00450740 0.00017803
0.25608473 -11.98011436 1.93721611
0.00003716 0.00007268 0.00010803
0.00907482 0.00872600 0.00238355
-1.37195835 -10.67774876 -0.14780214
-0.00064712 -0.00044321 0.00030317
0.00511068 0.00981873 -0.00790071
-19.23952356 -0.91340116 6.93878806
-0.00036695 0.00145216 -0.00027754
-0.00877837 -0.00074166 0.00749439
-21.43903417 0.65470623 5.87147519
-0.00071698 0.00090829 -0.00011032
0.00700155 -0.00224841 -0.00401709
-5.45135630 8.28084272 -26.67193520
-0.00056119 0.00040101 0.00071002
0.05337305 0.00797528 -0.03079078
-5.34249833 7.77280335 -23.69434535
0.00047119 0.00024860 0.00058241
0.00123978 0.00261233 -0.02410764
4.13148057 1.95813789 -2.21125897
0.00039773 0.00013684 0.00046067
-0.01011182 -0.01816620 0.00481507
1.72626505 0.31648736 -1.48522823
-0.00126946 0.00017598 -0.00021443
-0.00395450 -0.03204577 0.00405528
14.85194659 7.68755475 5.88692586
-0.00064588 -0.00017348 -0.00024230
-0.00322446 -0.00760120 0.00897646
15.19799717 9.89359189 4.01264701
-0.00138772 -0.00096035 -0.00045957
0.00314283 0.00737377 0.00020680
1.64488649 -11.71561792 -13.96709783
0.00026972 0.00013612 -0.00010541
0.01224315 0.00621184 0.00341121
-13.58498757 14.70641628 22.83244965
-0.00005206 0.00013397 0.00013597
-0.00220650 0.00036301 -0.00065598
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02456130
0.32850597
437.71772971
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3795892695 (a.u.)
total exchange computation time: 2.6264150143 s
-154.2079500729
-931.34721657
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3790704542 (a.u.)
total exchange computation time: 2.6289110184 s
-154.2135523709
Anderson extrapolation: theta=1.3443911400 (1.3443911400)
-931.34744627
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3782659881 (a.u.)
total exchange computation time: 2.6265838146 s
-154.2217682732
Anderson extrapolation: theta=0.0510835984 (0.0510835984)
-931.34758224
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3781397077 (a.u.)
total exchange computation time: 2.6267070770 s
-154.2227863218
Anderson extrapolation: theta=1.8399888758 (1.8399888758)
-931.34758698
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3778778965 (a.u.)
total exchange computation time: 2.6289100647 s
-154.2248200444
Anderson extrapolation: theta=0.2110466797 (0.2110466797)
-931.34759151
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3778108700 (a.u.)
total exchange computation time: 2.6262660027 s
-154.2252771394
Anderson extrapolation: theta=1.8657963560 (1.8657963560)
-931.34759231
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3777016428 (a.u.)
total exchange computation time: 2.6274688244 s
-154.2259574355
Anderson extrapolation: theta=0.2995306338 (0.2995306338)
-931.34759325
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3776866133 (a.u.)
total exchange computation time: 2.6305999756 s
-154.2259869269
Anderson extrapolation: theta=1.3494513723 (1.3494513723)
-931.34759347
-22.522903 -126.641640 -244.777610
-137.273999 458.408633 -806.681648
-159.796903 331.766992 -1051.459258
1114.078524
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3776808592 (a.u.)
total exchange computation time: 2.6097068787 s
679.02758988
-1084.26154448
89.74452945
-388.66858015
-174.81190746
78.58915797
551.60419304
0.00000000
-931.34759361
-9.14989366 -5.32137383 9.83935535
0.00023841 0.00004360 0.00027674
0.03223095 -0.03280850 0.01142893
-13.75758766 5.02219410 8.89745152
0.00004945 -0.00007946 -0.00010772
0.00020228 -0.01959925 -0.00673981
-15.87980502 1.51540172 2.97044856
-0.00013687 -0.00013923 0.00007988
-0.00658599 -0.01299279 0.02907020
2.29189143 -19.69478720 13.44092359
-0.00036223 0.00002287 0.00023632
0.01339955 -0.00310655 0.02980802
10.01081890 20.82478442 0.30276249
0.00041108 0.00013136 -0.00032209
-0.02749198 -0.02321652 -0.00421562
-11.28685017 12.82902226 15.19299886
-0.00013194 0.00022621 0.00002238
0.02892799 -0.02176416 0.03008285
-5.95503883 1.01072268 -12.84189052
0.00009220 -0.00017245 0.00020505
0.02175872 0.02540911 -0.02500555
-8.87965223 6.77643982 -6.85252348
0.00003630 0.00014117 -0.00014227
-0.01415114 0.00098996 0.00489913
-7.29274909 -3.78847600 18.00450833
0.00031426 -0.00013033 -0.00016357
0.00610184 -0.05581807 -0.02783469
-23.57670366 -7.67191324 -23.72647274
-0.00041367 -0.00013969 -0.00039925
0.00678424 0.03740841 -0.00502321
8.63147797 13.32041652 6.70002202
0.00047234 0.00034861 0.00019732
0.01182485 -0.01202029 -0.04505186
22.98620946 28.72853791 -2.94101840
-0.00031640 -0.00017160 0.00024543
0.01412871 -0.00288864 -0.00983834
9.53918577 0.13485961 -14.72068068
0.00039462 0.00021167 -0.00024747
-0.02601282 0.00082143 -0.01294902
-9.20768866 -1.18763416 12.40491822
-0.00034980 -0.00046027 -0.00025843
-0.00936324 -0.00180650 0.02379612
-2.19060053 -25.93048078 10.54573952
-0.00017144 -0.00005659 -0.00002005
0.01292197 0.00847999 -0.03430977
-15.32451890 -4.15245757 -7.37726503
-0.00021471 -0.00021281 -0.00041214
-0.00378522 0.00166861 -0.01333817
-19.39768680 -11.06936212 -18.27103315
0.00010254 -0.00019649 -0.00013148
-0.01239118 0.03105567 -0.00541944
20.97878085 5.47236437 4.72108400
-0.00027626 0.00039784 0.00013684
0.00983811 0.04899798 0.00935788
19.69065231 -11.48585971 -13.25299676
0.00067650 0.00012462 -0.00003171
-0.02574195 -0.00133450 0.01337690
-3.29629926 -0.41898076 -6.52886059
-0.00017641 -0.00015864 0.00005451
-0.00251976 0.01062233 -0.00063348
-3.62284263 -3.13288994 -17.60922986
0.00027639 0.00020659 0.00001479
-0.00303715 0.02405867 -0.00269476
14.29620596 16.43315646 -21.35848805
0.00003875 0.00019393 -0.00009312
-0.01505676 0.00154549 -0.00011266
-14.55258709 17.77755346 -13.41047464
0.00004609 0.00034267 -0.00005280
-0.01646706 0.02494965 -0.01054887
1.34672837 15.01323447 7.76082425
-0.00033706 -0.00000316 -0.00033142
-0.02638858 0.03825457 -0.00014287
-4.26339821 -9.19550461 3.84050561
0.00034339 -0.00001005 -0.00013806
-0.01940817 0.00490659 0.04403149
2.09480365 -5.14468287 2.31819609
-0.00018358 -0.00001598 0.00021768
-0.00078977 -0.05043690 0.00170344
9.67005122 7.22310505 4.37035945
-0.00006932 0.00006538 -0.00009642
-0.02295556 0.00875397 -0.02989279
-9.33034998 -10.37437665 -2.53441267
-0.00006954 -0.00026984 0.00030704
-0.02887688 0.02056106 0.02107432
3.40244389 -15.61732767 -13.14089924
-0.00016380 0.00002157 0.00000757
-0.02375450 0.00421154 0.01081965
3.86562756 -5.70392126 -3.02913902
0.00000248 0.00006977 0.00035165
-0.01135403 -0.02558044 0.03494385
18.37294179 1.84488959 24.42522675
-0.00011361 -0.00017874 -0.00010525
0.00538088 0.00813817 0.01047735
-9.01713624 2.38618749 1.54874830
-0.00018523 -0.00033544 0.00001563
0.02641603 0.00259786 -0.01161582
-5.82091373 12.40653925 -9.72622878
0.00036244 -0.00044837 0.00016583
0.01642690 -0.00146266 -0.01291945
1.62701071 13.34067815 -7.48511536
0.00006075 0.00014237 0.00013991
-0.00809517 -0.00536509 -0.05138027
-11.28190928 10.04191801 -12.50500173
-0.00035999 0.00011512 0.00004680
0.02026057 -0.02253341 -0.01738728
7.83698828 3.81959035 14.65770055
-0.00008957 -0.00028589 0.00008077
0.00257525 -0.01619805 0.01024236
-15.26945808 10.02938199 -7.58318057
0.00022800 0.00053565 0.00064848
-0.01476500 -0.00760386 -0.00262246
8.46315170 7.63604312 -3.03785196
-0.00050762 -0.00020155 -0.00009948
-0.02243277 0.01865439 -0.03912133
14.13850492 -20.67246417 -26.62388536
-0.00005052 0.00016557 0.00008859
0.00552662 0.01911572 -0.01746125
5.13811669 6.75832056 1.86980274
0.00004554 -0.00028714 0.00018015
-0.00076544 -0.03459962 -0.04463751
18.20497371 -5.83752240 -7.42206944
-0.00009956 0.00003455 0.00018192
-0.02856501 -0.00666381 -0.01437193
-1.97196839 -2.21519717 -1.98291532
0.00000870 -0.00025992 0.00022675
0.01172507 -0.00574793 0.02571807
2.82888647 -2.16202344 -12.02664872
0.00013836 -0.00020603 0.00000466
-0.02483848 0.02609111 0.01207356
19.79359441 9.06335251 -6.02296430
0.00016279 -0.00032223 0.00018577
0.00823219 -0.00787680 -0.01347579
-7.71883539 5.71350803 8.60576654
-0.00013844 -0.00004378 -0.00036537
0.01675710 -0.04601076 0.00429920
-1.70265511 -16.13517519 11.34855950
0.00011530 -0.00015747 -0.00004169
0.00360984 -0.00312612 0.00987674
7.64041986 -0.25053109 -4.72815410
0.00017153 0.00052787 0.00018557
-0.01909063 0.01959897 -0.02180970
-1.07101596 -12.26761406 0.71750288
-0.00017387 -0.00018183 0.00008724
-0.01360777 -0.01896357 0.00435430
-20.02156320 -0.38889941 5.35201152
0.00003631 0.00033333 0.00013446
-0.00822122 0.00955557 -0.00695014
-6.36785236 8.04420749 -25.21621013
0.00020402 0.00021545 -0.00012947
-0.03730514 -0.01901570 0.09387197
2.31546435 1.92585537 -1.90528112
-0.00021045 -0.00007859 -0.00012409
0.02659541 0.03728697 -0.00985611
14.58044263 8.19812978 4.15630265
-0.00009246 0.00014934 0.00005938
-0.00179678 -0.00746326 -0.01728232
-8.10561785 -6.91677897 10.11200854
-0.00037370 0.00008732 -0.00080826
-0.02610476 0.03231215 -0.00975783
-10.39496175 -5.60523638 8.55675339
-0.00037732 -0.00020087 0.00031621
-0.00151884 -0.01014711 -0.00529789
-13.22887944 5.53659542 7.18860242
-0.00025963 -0.00103655 -0.00070606
0.00099787 0.00400923 0.00603317
-13.35862503 3.18606638 8.94298127
0.00094679 0.00048234 0.00100237
-0.00564098 0.01930322 -0.00224673
-14.48139070 1.53403920 4.24296806
-0.00014671 0.00011801 -0.00028669
-0.02424100 0.00268294 -0.01203014
-17.44915561 0.78964556 3.90149480
0.00068174 0.00038519 0.00035830
0.02815803 0.01465673 -0.01654388
2.33497785 -21.39235991 12.78121830
-0.00062917 -0.00111955 -0.00120667
0.00434027 -0.00304706 -0.00738290
3.49326430 -19.78592053 14.89494912
0.00124313 0.00007048 0.00065225
-0.02059034 0.00372278 -0.02542876
9.14688654 19.16727899 -0.03526628
-0.00010368 -0.00042015 -0.00018388
0.02153987 0.01291811 0.00611955
8.73152170 21.61725695 1.38995163
0.00001401 -0.00099522 -0.00083088
0.00198239 0.00388955 -0.00556109
-10.43056888 12.06550322 16.81184766
0.00001210 0.00010904 0.00001142
-0.01995470 0.01307831 -0.02679285
-11.18341526 14.54584030 15.72666803
0.00036346 -0.00091400 0.00014125
-0.00500059 0.01783209 -0.00432876
-6.05692524 0.15696097 -14.43834584
-0.00035028 0.00009358 0.00040338
-0.00111359 -0.00669049 -0.00024190
-7.24757809 0.42824174 -11.74036704
-0.00053173 0.00013600 -0.00134242
-0.01886793 -0.02099689 0.02197819
-7.77385451 8.21986121 -7.00351596
0.00050517 -0.00043222 -0.00120782
-0.00346594 -0.00483220 -0.00429881
-9.78054603 7.11054046 -5.25120138
-0.00010052 0.00145954 0.00029111
0.00776383 -0.00447948 -0.01553486
-7.58974382 -2.09362974 17.92923277
0.00025270 -0.00040064 -0.00004277
-0.00919031 0.06421149 -0.00081982
-7.14749887 -4.26090125 19.72151935
-0.00017805 -0.00041311 0.00019444
-0.00271458 -0.01243068 0.02640230
-24.41490400 -5.99932397 -23.72980600
0.00110568 0.00037586 -0.00081500
-0.00575984 -0.01833440 0.00230753
-21.88936361 -6.92439659 -23.96203411
0.00025614 -0.00029111 -0.00074304
-0.00022756 -0.01768238 0.00142163
8.66816760 13.15402058 4.77611406
-0.00006270 0.00051603 -0.00065670
-0.00203218 0.00931369 0.03894902
9.76168597 11.94655441 7.32086305
-0.00015669 0.00122916 0.00032898
-0.01514081 0.01021478 0.00523444
24.14703731 27.32516294 -2.59824941
-0.00034226 -0.00058262 0.00001407
-0.02279853 0.00735653 -0.00010699
22.49497613 29.48813489 -1.36228363
-0.00122049 -0.00090270 0.00088734
-0.00194675 0.00617784 0.00545624
11.12775701 -0.44399916 -14.15141777
-0.00056826 0.00144931 0.00051618
0.01587537 -0.00664745 0.00840651
8.41286846 -1.34322209 -14.51455863
0.00049401 0.00009051 0.00080267
0.01301562 0.00507950 0.00486117
-9.59603067 -1.32988092 14.20435167
0.00041970 0.00073601 0.00058752
0.00320264 0.01017632 -0.01132089
-9.28264828 -2.94971018 11.85620062
0.00081114 0.00064317 -0.00092317
0.00227273 -0.00150993 -0.00974337
-3.17166524 -26.53892642 11.95218624
0.00048978 -0.00006705 -0.00039090
-0.01247343 -0.00461757 0.00694726
-3.27759060 -25.51871013 9.10707152
0.00048863 0.00061518 -0.00008451
0.00482558 -0.00304088 0.01427209
-14.97909154 -2.43000537 -6.73798055
-0.00020424 0.00027269 -0.00051799
0.00379364 -0.00811629 0.00646668
-16.12124386 -3.83519745 -8.98635957
-0.00019365 -0.00027500 -0.00006040
-0.00350885 -0.00226088 0.00333620
-19.19358736 -9.35453744 -19.06791983
-0.00052858 0.00119823 0.00025912
0.00373603 -0.03159651 0.01279896
-18.25555888 -12.30142375 -18.95888179
-0.00026112 -0.00064459 0.00041740
0.01125833 -0.00132335 -0.00878522
22.47287513 6.30666438 4.03294691
-0.00012584 -0.00020517 0.00040810
0.00471741 -0.02194598 -0.00608824
20.32302498 7.10262833 5.39421764
-0.00083591 0.00027902 0.00003937
-0.01232420 -0.02927255 -0.00198955
18.50123291 -11.14013132 -11.75628213
-0.00061344 0.00002751 0.00060166
0.01542189 0.00235672 -0.03323758
19.07961824 -10.55204657 -14.72436372
0.00055939 0.00064211 0.00053840
-0.00499492 0.00260767 0.01330317
-1.77445240 0.54520538 -6.56714212
-0.00039957 -0.00047049 0.00059531
0.01860095 0.00401292 -0.00640583
-4.49736923 0.92030256 -6.19733720
0.00079387 0.00068006 0.00009571
-0.00825192 -0.00910308 0.00269054
-3.29340960 -4.36399440 -18.89428783
-0.00051689 0.00009388 -0.00114867
0.00187351 -0.00076860 -0.00168699
-3.67375799 -1.47341854 -18.50365612
0.00014295 -0.00000810 0.00001998
0.00285111 -0.01396010 0.00655685
14.14652402 18.01956831 -20.46690989
0.00127542 0.00009921 -0.00088681
-0.00017170 -0.00373559 0.00201261
12.49392231 15.82335124 -21.43622111
0.00028621 -0.00053473 0.00060301
0.02039001 0.00678428 0.00039615
-14.01171462 17.15237204 -11.84927533
-0.00030076 0.00058186 -0.00067915
0.01161965 -0.00250553 0.03638414
-14.38899178 16.26280526 -14.37655966
0.00069428 -0.00018471 -0.00067666
0.00000432 -0.02727745 -0.02509608
1.89142800 15.98656355 6.31109039
-0.00026073 0.00013242 -0.00006985
0.01010353 -0.01217909 -0.00580084
-0.07426283 16.19047628 8.24868490
0.00084217 -0.00049821 -0.00126195
0.01616466 -0.02985848 0.00738257
-4.50864063 -7.91170887 2.63978531
0.00003620 0.00050403 0.00019222
-0.01078820 0.01582906 -0.01818443
-3.26259249 -10.40489005 3.05127618
0.00005495 -0.00049130 -0.00037249
0.02517759 -0.02846853 -0.02488342
1.47678468 -3.75492781 3.14789708
0.00115364 -0.00001005 -0.00087706
-0.02926010 0.04429243 0.03592930
3.22390053 -4.32514965 1.25482967
0.00066550 0.00080225 -0.00020571
0.03160454 0.00526309 -0.03291267
8.06165532 7.53761054 3.31442473
0.00019232 -0.00072744 -0.00088673
0.04012267 -0.01033801 0.01837159
11.22716807 7.90535718 3.55392118
0.00026137 0.00027031 -0.00034177
-0.01709689 -0.00744493 0.01298239
-8.11714756 -11.65011837 -2.13296591
-0.00180720 -0.00047388 -0.00000210
0.01564116 -0.01742398 -0.00414151
-10.23966857 -9.94209835 -0.95254367
0.00031998 0.00023307 0.00069332
0.00526669 0.00026535 -0.02258580
5.07860869 -16.36408712 -13.49333589
-0.00102191 -0.00116744 -0.00080399
-0.00855695 -0.00299705 0.02278612
2.36307931 -16.26430954 -11.67688430
0.00050475 0.00036456 -0.00096905
0.03342507 -0.00065182 -0.03036799
4.37126115 -4.72430367 -4.42853673
-0.00021250 -0.00039976 0.00065514
0.02351570 0.00827514 -0.01723642
5.29620027 -6.62377061 -2.22220751
0.00112974 0.00003501 0.00042875
-0.00905344 0.01631327 -0.01692933
16.64507473 2.45865757 24.60737575
-0.00029896 -0.00099428 0.00004587
-0.00392342 -0.00577045 -0.00865996
19.36309235 3.25660389 25.16194650
0.00041419 0.00033772 -0.00090077
-0.00369076 -0.01127514 -0.00605860
-9.59579003 0.66342150 1.31530636
-0.00047528 -0.00019235 -0.00000434
-0.01463306 0.00585688 0.00913395
-9.96405240 3.39566488 2.71166361
-0.00022859 -0.00007138 -0.00015862
-0.01200624 -0.00336471 0.00268062
-5.08381710 13.73230046 -8.64871811
-0.00035801 0.00010067 -0.00040267
0.00062732 -0.00125616 0.00252429
-7.52642880 12.15095718 -9.25879720
0.00007487 -0.00027969 -0.00076174
-0.02128871 -0.00108369 0.00760214
1.38160857 11.69149972 -6.83294024
-0.00038645 0.00009362 -0.00005876
-0.00613448 -0.00422255 0.02052612
2.32943513 14.48978635 -6.34650080
0.00106182 -0.00054421 0.00014325
0.01435063 0.00761228 0.03276862
-10.85599164 8.26402325 -12.89883648
-0.00019338 -0.00121183 0.00044041
-0.00566110 0.01636533 -0.00035527
-11.66331067 9.95533647 -10.76237657
0.00013619 -0.00031076 -0.00008981
-0.01015506 0.00412907 0.01998328
7.14182255 5.24251620 13.76454360
-0.00032935 -0.00073784 0.00118853
0.01397948 0.00379554 -0.00452907
9.66039858 3.64551767 14.53309270
0.00011782 0.00009255 -0.00041066
-0.01081002 0.01735140 -0.01109370
-14.20624041 11.52874159 -7.55717559
0.00018718 0.00061466 -0.00098946
0.00953381 0.00239380 0.00434370
-16.93531304 10.64339571 -8.01044659
0.00049018 -0.00060653 -0.00008868
0.00151906 0.00006485 0.00083859
9.25156411 9.24661619 -2.78433888
0.00051490 0.00017899 -0.00046859
0.01301166 0.00640470 0.01933193
7.58758953 8.27613242 -4.64358870
0.00002732 -0.00021444 0.00066322
0.00795248 -0.02329274 0.02229931
14.42678868 -19.04274972 -27.52834489
-0.00049939 -0.00029069 0.00009471
-0.00946850 -0.01568084 0.01491850
13.68344500 -20.22732555 -24.91546761
0.00063068 0.00048039 0.00092916
0.00070808 0.00683599 0.00347812
5.13207271 4.82530917 1.97883487
0.00078359 -0.00035255 0.00040713
0.00553429 0.03264283 0.00999497
5.41924867 6.95465090 -0.02005861
0.00007293 0.00035405 0.00059262
0.00029734 0.00518596 0.03491703
19.79555020 -5.27843585 -6.92787724
-0.00051454 0.00130147 0.00036069
0.03443556 0.00260441 0.01424879
17.00874707 -4.92764255 -6.34833281
-0.00053115 0.00052358 0.00031798
-0.00616646 0.00197366 0.00752364
-2.55551085 -0.71006419 -1.17742928
-0.00008650 0.00057022 0.00018501
-0.00354267 0.00834709 0.02166781
-2.50595579 -1.78017583 -3.62989819
-0.00124282 -0.00038120 0.00016671
-0.00890798 -0.00152074 -0.03710278
3.84567917 -3.51063974 -12.52776827
-0.00025698 0.00020008 -0.00009924
0.02752390 -0.03035904 -0.00919869
1.14891781 -2.91676312 -11.81952534
-0.00008468 0.00006725 0.00002647
-0.00251871 0.00473158 0.00158856
19.90429887 8.73515837 -7.83440613
0.00010744 0.00014979 -0.00051945
-0.00068307 -0.00212660 0.01014850
21.05079547 7.90868807 -5.25569598
0.00078819 -0.00116777 0.00051246
-0.00677455 0.00502762 -0.00035547
-7.26016505 3.74516078 8.64917189
-0.00041109 -0.00050372 -0.00070726
-0.00740071 0.04771416 -0.00065191
-6.76357024 6.27355260 10.05031317
0.00048245 -0.00010342 -0.00028727
-0.00442948 0.00392698 0.00228250
-1.70673439 -17.94238863 11.57959370
0.00099004 0.00019455 0.00005936
0.00104254 0.00009725 0.00149899
-2.73840823 -15.82278630 9.90664508
0.00023246 -0.00021171 -0.00038855
-0.00189008 0.00326533 -0.00970962
8.56918536 -0.30322245 -3.22152423
-0.00014000 0.00013032 -0.00119566
0.02034716 -0.00281340 0.02948710
7.74808915 1.47254435 -5.43333300
0.00029180 0.00060931 -0.00087564
-0.00249942 -0.00730975 0.00195150
0.25692021 -11.97875683 1.93890965
0.00007203 0.00010789 0.00011563
0.00799272 0.00851227 0.00133570
-1.38150854 -10.68409608 -0.14349670
-0.00062651 -0.00040042 0.00026901
0.00497911 0.01112693 -0.00882282
-19.24529684 -0.89164144 6.93485462
-0.00039734 0.00144519 -0.00023703
-0.00609715 -0.00267163 0.01233538
-21.44957436 0.66826165 5.86969726
-0.00067897 0.00089186 -0.00013038
0.01160546 -0.00579246 -0.00579920
-5.45813861 8.28710226 -26.66222849
-0.00033181 0.00043671 0.00056645
0.05890954 0.00949939 -0.03948430
-5.33539256 7.77661243 -23.68634799
0.00047073 0.00026113 0.00047515
-0.00146291 0.00352156 -0.02839656
4.13713669 1.95963375 -2.20420134
0.00034882 0.00006091 0.00048167
-0.01382970 -0.01900050 0.00546293
1.70710195 0.31814501 -1.48832040
-0.00128357 0.00004742 -0.00019888
-0.00295109 -0.03088119 0.00355845
14.84215962 7.68471969 5.88356638
-0.00065799 -0.00020449 -0.00020182
-0.00270551 -0.00757888 0.01083829
15.17727773 9.87941259 4.00575978
-0.00136629 -0.00090794 -0.00045940
0.00734503 0.01828177 -0.00012057
1.64896514 -11.71355940 -13.96866984
0.00027412 0.00013834 -0.00010419
0.01232081 0.00619733 0.00342895
-13.58577227 14.70842651 22.83448809
-0.00005256 0.00013406 0.00013583
-0.00211129 0.00034843 -0.00055462
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02446688
0.32312673
430.55016451
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3794585955 (a.u.)
total exchange computation time: 2.6088440418 s
-154.2030097354
-931.34158713
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3788576823 (a.u.)
total exchange computation time: 2.6143820286 s
-154.2092867459
Anderson extrapolation: theta=1.3411653378 (1.3411653378)
-931.34183066
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3779351911 (a.u.)
total exchange computation time: 2.6082780361 s
-154.2184288071
Anderson extrapolation: theta=0.0513768395 (0.0513768395)
-931.34197495
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3777956340 (a.u.)
total exchange computation time: 2.6084899902 s
-154.2195290987
Anderson extrapolation: theta=1.8381332219 (1.8381332219)
-931.34198002
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3775082947 (a.u.)
total exchange computation time: 2.6102750301 s
-154.2217180600
Anderson extrapolation: theta=0.2097432342 (0.2097432342)
-931.34198476
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3774362150 (a.u.)
total exchange computation time: 2.6089611053 s
-154.2222049991
Anderson extrapolation: theta=1.8284853839 (1.8284853839)
-931.34198556
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3773219067 (a.u.)
total exchange computation time: 2.6083579063 s
-154.2229158474
Anderson extrapolation: theta=0.2871201632 (0.2871201632)
-931.34198646
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3773084230 (a.u.)
total exchange computation time: 2.6140649319 s
-154.2229391848
Anderson extrapolation: theta=1.3213900072 (1.3213900072)
-931.34198666
-22.516043 -126.630042 -244.802820
-137.263874 458.405844 -806.733259
-159.779917 331.775802 -1051.536078
1114.151214
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3773065275 (a.u.)
total exchange computation time: 2.6096839905 s
679.03121483
-1084.26355811
89.74431211
-388.66526822
-174.81138085
78.59131936
551.60419304
0.00000000
-931.34198678
-9.14619313 -5.32084635 9.84355051
0.00025383 0.00002695 0.00028152
0.02770389 -0.03193293 0.00718214
-13.75684510 5.02092663 8.89580967
0.00004962 -0.00008896 -0.00011150
0.00044551 -0.01736827 -0.00794712
-15.88188348 1.51326313 2.97175893
-0.00013990 -0.00014553 0.00009425
-0.00518190 -0.01148661 0.02678831
2.28650973 -19.69445619 13.44458334
-0.00035413 0.00001866 0.00025179
0.01807159 -0.01325860 0.03035587
10.01687910 20.82666532 0.29791485
0.00039682 0.00011807 -0.00032482
-0.02797668 -0.02846136 -0.00637539
-11.28871768 12.83233140 15.19345062
-0.00011701 0.00021296 0.00003742
0.02912663 -0.02973229 0.02840122
-5.95357189 1.00823393 -12.83891119
0.00010398 -0.00015897 0.00019196
0.02406327 0.02700205 -0.02590611
-8.87916225 6.77856119 -6.85463859
0.00002835 0.00014175 -0.00013887
-0.01676074 0.00125212 0.00831286
-7.28801159 -3.79064625 18.00194740
0.00031755 -0.00015956 -0.00017693
0.00667695 -0.05784765 -0.02410113
-23.58288250 -7.67386426 -23.73248089
-0.00040890 -0.00012033 -0.00040198
0.01173458 0.03788498 -0.00558997
8.63860866 13.32559923 6.70280806
0.00047728 0.00034376 0.00017277
0.00739211 -0.00683643 -0.05040062
22.98151799 28.72595281 -2.93737494
-0.00030922 -0.00017291 0.00024129
0.01378393 -0.00220047 -0.00626233
9.54500474 0.13803784 -14.72444260
0.00037916 0.00021258 -0.00025480
-0.03409507 0.00273216 -0.01557162
-9.21297171 -1.19454511 12.40113357
-0.00035462 -0.00045918 -0.00024499
-0.00941555 0.00603166 0.02848111
-2.19312224 -25.93129692 10.54530647
-0.00016371 -0.00005183 -0.00003828
0.01710826 0.01003856 -0.03660519
-15.32775423 -4.15564321 -7.38349863
-0.00021622 -0.00021130 -0.00041810
-0.00204835 0.00419779 -0.00981019
-19.39619649 -11.07218966 -18.27302627
0.00009581 -0.00017915 -0.00013440
-0.01379851 0.03637769 -0.00594723
20.97467487 5.47852094 4.72317263
-0.00027168 0.00042260 0.00014177
0.00800075 0.04728164 0.00984370
19.70070051 -11.48399556 -13.25342083
0.00066229 0.00012406 -0.00002354
-0.02950227 -0.00086034 0.01839933
-3.29895512 -0.42131934 -6.52804532
-0.00017827 -0.00015332 0.00005428
-0.00472144 0.01006877 -0.00027264
-3.61870849 -3.12969829 -17.60901833
0.00027510 0.00021756 0.00001233
-0.00197747 0.01858608 -0.00689125
14.29672907 16.43607140 -21.35988535
0.00003141 0.00019360 -0.00009381
-0.01345531 -0.00283530 -0.00253731
-14.55195919 17.78278983 -13.41130734
0.00003730 0.00035465 -0.00006071
-0.01772721 0.02160720 -0.02021001
1.34157062 15.01333464 7.75585235
-0.00034906 0.00001527 -0.00033206
-0.02026185 0.03343155 -0.00232605
-4.25832220 -9.19563641 3.83860454
0.00033380 -0.00000769 -0.00011604
-0.01789990 0.00427566 0.04159392
2.09204691 -5.14511716 2.32146787
-0.00018107 -0.00004221 0.00021546
0.01055163 -0.05153662 -0.01031922
9.66892281 7.22411947 4.36879779
-0.00008057 0.00007003 -0.00011221
-0.02077727 0.00934731 -0.03150373
-9.33150449 -10.37834487 -2.52972576
-0.00008600 -0.00025764 0.00031777
-0.03513049 0.02687669 0.02064167
3.39989521 -15.61698794 -13.14074397
-0.00017500 0.00002435 0.00001168
-0.01978002 0.00663173 0.00517529
3.86562100 -5.70297342 -3.02372944
-0.00000249 0.00005537 0.00037107
-0.00796309 -0.03040943 0.04055703
18.37125845 1.84223992 24.42368847
-0.00011031 -0.00017435 -0.00009983
0.00745568 0.00893078 0.01057747
-9.01981281 2.38116597 1.54893793
-0.00017166 -0.00033392 0.00000980
0.02636605 0.00328456 -0.01105426
-5.81541375 12.39980813 -9.72379117
0.00037065 -0.00044946 0.00015902
0.01551514 -0.00279315 -0.01355053
1.62789070 13.34279294 -7.48321487
0.00005656 0.00013960 0.00011366
-0.00820523 -0.00539381 -0.05070175
-11.28723102 10.04355790 -12.50436683
-0.00034906 0.00010164 0.00003725
0.02224252 -0.02987330 -0.01974380
7.83565466 3.81523954 14.65895157
-0.00008715 -0.00029552 0.00008671
0.00684823 -0.02123774 0.01285428
-15.26609505 10.03738747 -7.57346347
0.00022124 0.00053146 0.00064726
-0.01150342 -0.00869968 -0.00213629
8.45545082 7.63309176 -3.03949500
-0.00051781 -0.00019091 -0.00011834
-0.01717876 0.02272047 -0.03422382
14.13776850 -20.66990692 -26.62262380
-0.00004815 0.00017499 0.00008132
0.00368069 0.01752522 -0.01080720
5.13879690 6.75388000 1.87233287
0.00004518 -0.00030485 0.00015788
-0.00064676 -0.03427866 -0.04198052
18.20337012 -5.83702983 -7.41939610
-0.00011450 0.00003176 0.00017529
-0.02954977 -0.00419028 -0.01142222
-1.97179272 -2.21911817 -1.97941485
0.00001395 -0.00026130 0.00023967
0.00871562 0.00038728 0.02450779
2.83086603 -2.16501320 -12.02653223
0.00012477 -0.00019182 0.00001125
-0.02799744 0.02915014 0.01354459
19.79606801 9.05848868 -6.02022976
0.00016810 -0.00032735 0.00017850
0.01241940 -0.01204169 -0.01480008
-7.72084732 5.71267389 8.60030259
-0.00012950 -0.00006747 -0.00036265
0.01801344 -0.04611286 0.00625625
-1.70091168 -16.13754923 11.34797229
0.00011689 -0.00015822 -0.00003706
0.00259132 0.00020318 0.00810210
7.64291915 -0.24253740 -4.72545466
0.00016001 0.00053844 0.00017133
-0.02568288 0.02148335 -0.03357296
-1.07367643 -12.27041468 0.71882823
-0.00018050 -0.00019176 0.00008996
-0.01218788 -0.01966491 0.00625344
-20.02105029 -0.38386265 5.35400168
0.00003033 0.00033948 0.00013008
-0.01504193 0.01435720 -0.01011754
-6.36493591 8.04736590 -25.21779009
0.00018429 0.00020514 -0.00007879
-0.03941468 -0.02108638 0.10321258
2.31241018 1.92482034 -1.90718050
-0.00019632 -0.00005988 -0.00012909
0.02835264 0.03545812 -0.00956520
14.57904876 8.20034108 4.15712667
-0.00009453 0.00014264 0.00005023
-0.00625382 -0.01858491 -0.01828009
-8.11202330 -6.91447902 10.09958568
-0.00047585 0.00021483 -0.00084565
-0.02389610 0.03010430 -0.00854697
-10.40066815 -5.60856033 8.56133423
-0.00037880 -0.00023972 0.00029982
0.00079446 -0.00887351 -0.00272598
-13.23274333 5.52116999 7.17819638
-0.00025617 -0.00101997 -0.00067871
0.00069501 0.00410986 0.00735421
-13.34459598 3.19389296 8.95794798
0.00092380 0.00055667 0.00099285
-0.00561691 0.01708118 -0.00241119
-14.48433421 1.53589151 4.23829905
-0.00024240 0.00012874 -0.00033375
-0.02259717 0.00257189 -0.01100336
-17.43806661 0.79587258 3.90636242
0.00079090 0.00044246 0.00029271
0.02527442 0.01337763 -0.01556467
2.32567334 -21.40924651 12.76289203
-0.00061021 -0.00110977 -0.00122576
0.00493728 0.00783336 -0.00196348
3.51128030 -19.78474931 14.90395365
0.00114841 0.00008384 0.00053601
-0.02577609 0.00281748 -0.03146874
9.14599145 19.16137261 -0.03783704
-0.00001098 -0.00036202 -0.00015890
0.02383587 0.01553432 0.00611078
8.73179262 21.60244790 1.37731808
0.00001875 -0.00097439 -0.00084881
0.00033847 0.00630521 -0.00321549
-10.43099879 12.06753961 16.81119797
-0.00006995 0.00016153 -0.00009900
-0.02021171 0.01261287 -0.02725940
-11.17811653 14.53267672 15.72865415
0.00034364 -0.00082348 0.00012771
-0.00470226 0.02648063 -0.00229794
-6.06221359 0.15815971 -14.43230258
-0.00035359 0.00006463 0.00039717
-0.00050423 -0.00748256 -0.00279686
-7.25613224 0.42963837 -11.75982979
-0.00061476 0.00004863 -0.00124562
-0.02177680 -0.02177425 0.02540221
-7.76638318 8.21322979 -7.02176506
0.00049204 -0.00045070 -0.00122483
-0.00295963 -0.00421071 -0.00402689
-9.78181595 7.13229627 -5.24731075
-0.00006416 0.00143907 0.00022012
0.01003476 -0.00553787 -0.01921563
-7.58623493 -2.09767172 17.92856611
0.00021444 -0.00013565 -0.00004602
-0.00953650 0.06550563 -0.00077225
-7.15025284 -4.26747882 19.72524500
-0.00018981 -0.00046216 0.00029496
-0.00304305 -0.01157955 0.02280359
-24.39849534 -5.99424796 -23.74196024
0.00107825 0.00030389 -0.00080488
-0.00766507 -0.01689289 0.00264595
-21.88552846 -6.92930513 -23.97313622
0.00024921 -0.00036756 -0.00073625
-0.00316752 -0.01973815 0.00190292
8.66716478 13.16204640 4.76745712
-0.00006999 0.00055364 -0.00048988
-0.00153505 0.00909874 0.04271065
9.75887168 11.96530485 7.32595810
-0.00021084 0.00126108 0.00035285
-0.01136464 0.00541171 0.00645334
24.14120473 27.31664910 -2.59804171
-0.00043717 -0.00055083 0.00001332
-0.02365740 0.00820263 -0.00025538
22.47660912 29.47478363 -1.34880638
-0.00122599 -0.00088050 0.00090236
-0.00074313 0.00469167 0.00189626
11.11971960 -0.42246320 -14.14341740
-0.00048726 0.00141659 0.00055656
0.02377276 -0.00936827 0.01135922
8.42067744 -1.34170877 -14.50236970
0.00054771 0.00011226 0.00082172
0.01327213 0.00556478 0.00446839
-9.58963705 -1.31852896 14.21281762
0.00043402 0.00077442 0.00053161
0.00380896 0.00862848 -0.01605029
-9.27041148 -2.94010888 11.84205444
0.00081881 0.00062460 -0.00096224
0.00148247 -0.00757846 -0.00937970
-3.16470083 -26.54007359 11.94653559
0.00043292 -0.00008874 -0.00035613
-0.01535591 -0.00599983 0.01007420
-3.27011326 -25.50957565 9.10624117
0.00050573 0.00060264 -0.00002759
0.00354588 -0.00309671 0.01359072
-14.98203894 -2.42616368 -6.74555220
-0.00018964 0.00023444 -0.00049271
0.00335357 -0.01060797 0.00590770
-16.12425607 -3.83939179 -8.98716340
-0.00021050 -0.00028363 -0.00005169
-0.00474178 -0.00196074 0.00093088
-19.20140161 -9.33753228 -19.06364088
-0.00051258 0.00105766 0.00031425
0.00409971 -0.03721207 0.01418889
-18.25913075 -12.31113322 -18.95288998
-0.00021307 -0.00064927 0.00037941
0.01226310 -0.00096628 -0.00981363
22.47113202 6.30291441 4.03888187
-0.00010445 -0.00029187 0.00038280
0.00575492 -0.02049750 -0.00629838
20.31010866 7.10591656 5.39474716
-0.00088464 0.00015977 0.00003032
-0.01152646 -0.02910013 -0.00243782
18.49250395 -11.13964639 -11.74827574
-0.00054323 0.00003550 0.00045888
0.01894204 0.00155427 -0.03665594
19.08785606 -10.54233499 -14.71588003
0.00053873 0.00065351 0.00058983
-0.00512123 0.00297370 0.01187107
-1.77987600 0.53827103 -6.55840879
-0.00031684 -0.00045242 0.00056869
0.02189527 0.00482898 -0.00662247
-4.48571400 0.93022455 -6.19581912
0.00075792 0.00064241 0.00010661
-0.00934658 -0.00932807 0.00264386
-3.30110560 -4.36260979 -18.91156962
-0.00051112 0.00009880 -0.00114619
0.00095246 0.00317710 0.00290145
-3.67152641 -1.47396789 -18.50315556
0.00015456 -0.00006216 0.00004603
0.00283514 -0.01250141 0.00619514
14.16565001 18.02094192 -20.48015042
0.00127206 0.00009112 -0.00087406
-0.00147233 -0.00022312 0.00422872
12.49884024 15.81553820 -21.42716379
0.00036881 -0.00050475 0.00060516
0.02004254 0.00789040 0.00065680
-14.01587001 17.16102321 -11.85834762
-0.00024955 0.00056693 -0.00051878
0.01344762 -0.00480556 0.04211634
-14.37857742 16.25919872 -14.38747857
0.00069331 -0.00028461 -0.00077101
-0.00048036 -0.02162234 -0.02109117
1.88782667 15.98817668 6.30986483
-0.00021750 0.00008286 -0.00009568
0.01105621 -0.01208092 -0.00684211
-0.06113501 16.18208811 8.22998192
0.00089407 -0.00061044 -0.00122560
0.00924403 -0.02507587 0.01040712
-4.50842815 -7.90366331 2.64211138
-0.00000640 0.00056421 0.00012061
-0.01006499 0.01362906 -0.01686863
-3.26099666 -10.41313190 3.04492625
0.00015307 -0.00060184 -0.00047164
0.02285267 -0.02564296 -0.02364768
1.49319269 -3.75372134 3.13584221
0.00102583 0.00018624 -0.00071935
-0.03330502 0.05179593 0.04126728
3.23485156 -4.31295464 1.25073550
0.00077959 0.00081024 -0.00032648
0.02424119 -0.00135354 -0.02620462
8.06576964 7.52638216 3.30168671
0.00035527 -0.00076875 -0.00081069
0.03963950 -0.00988195 0.01885339
11.23056473 7.90918366 3.54919241
0.00018787 0.00023751 -0.00028619
-0.01888057 -0.00860921 0.01422573
-8.14377624 -11.65776043 -2.13312439
-0.00173111 -0.00055709 -0.00001525
0.02160479 -0.02331205 -0.00229267
-10.23470755 -9.93859417 -0.94283600
0.00034214 0.00023352 0.00059837
0.00558480 -0.00004529 -0.02389306
5.06301784 -16.38169055 -13.50469750
-0.00105581 -0.00117891 -0.00071118
-0.00803610 -0.00261666 0.02264473
2.37167474 -16.25886118 -11.69235065
0.00063226 0.00035631 -0.00108107
0.02899260 -0.00338625 -0.02446621
4.36879424 -4.73004644 -4.41923787
-0.00011454 -0.00036038 0.00057697
0.02443834 0.01099772 -0.02102535
5.31286893 -6.62274564 -2.21629504
0.00108394 0.00010606 0.00035593
-0.01336533 0.01847036 -0.01871531
16.64047007 2.44356655 24.60779841
-0.00031516 -0.00101600 0.00001117
-0.00400733 -0.00486057 -0.00832327
19.36919205 3.26132424 25.14824929
0.00039501 0.00028886 -0.00092627
-0.00569653 -0.01264222 -0.00642517
-9.60336764 0.66071571 1.31552117
-0.00053537 -0.00016923 0.00003275
-0.01477932 0.00545994 0.00901971
-9.96784916 3.39449107 2.70936646
-0.00027688 -0.00008563 -0.00014855
-0.01162951 -0.00361281 0.00224981
-5.08916808 13.73377208 -8.65468079
-0.00035374 0.00009749 -0.00039039
0.00146230 -0.00030036 0.00348692
-7.52595813 12.14672859 -9.26999036
-0.00001100 -0.00028381 -0.00073144
-0.02074295 -0.00093302 0.00723051
1.37562385 11.69277457 -6.83319268
-0.00041141 0.00007700 0.00002442
-0.00608450 -0.00390966 0.02018942
2.34580215 14.48185652 -6.34334792
0.00112040 -0.00051362 0.00027629
0.01432577 0.00735749 0.03235482
-10.85906587 8.24634731 -12.89224119
-0.00021988 -0.00113066 0.00044049
-0.00730963 0.02336575 0.00039278
-11.66157908 9.95080163 -10.76311134
0.00009393 -0.00029319 -0.00000456
-0.01052843 0.00447079 0.02174423
7.13731070 5.23156493 13.78223279
-0.00027768 -0.00071164 0.00116354
0.01131050 0.00903033 -0.00770283
9.66183462 3.64743758 14.52659281
0.00007079 0.00016364 -0.00045526
-0.01221023 0.01744771 -0.01073456
-14.20314057 11.53803478 -7.57188440
0.00022495 0.00062356 -0.00097118
0.00895460 0.00196451 0.00460675
-16.92791376 10.63429969 -8.01175114
0.00049016 -0.00060365 -0.00008682
-0.00152900 0.00134503 0.00007145
9.25968634 9.24949736 -2.79077541
0.00056269 0.00019437 -0.00039121
0.01038332 0.00112253 0.01854803
7.58824299 8.27220206 -4.63295710
0.00005478 -0.00030681 0.00074621
0.00548953 -0.02192319 0.01832422
14.41900765 -19.04759060 -27.52646715
-0.00053669 -0.00034896 0.00015260
-0.00879127 -0.01284249 0.01341956
13.69292689 -20.21991016 -24.90142368
0.00063599 0.00050552 0.00093294
0.00189014 0.00546540 -0.00162542
5.14399608 4.82102120 1.98524808
0.00080549 -0.00021925 0.00044674
0.00518904 0.03260800 0.00939615
5.42035170 6.96012056 -0.01009939
0.00007422 0.00037427 0.00073072
0.00033335 0.00471437 0.03268580
19.78888736 -5.25883405 -6.92203020
-0.00037633 0.00131118 0.00041729
0.03321992 0.00215303 0.01345567
17.00059079 -4.91972830 -6.34333261
-0.00055195 0.00052691 0.00034369
-0.00401442 -0.00034485 0.00506353
-2.55691693 -0.70125513 -1.17399012
-0.00009701 0.00059431 0.00026842
-0.00159883 0.00344510 0.01915917
-2.52487112 -1.78594046 -3.62853442
-0.00127692 -0.00038950 0.00002249
-0.00778437 -0.00254090 -0.03349495
3.84266794 -3.50856888 -12.52953873
-0.00014000 0.00006997 -0.00013935
0.02973623 -0.03332753 -0.01043749
1.14757046 -2.91560936 -11.81907963
-0.00009384 0.00008652 0.00003281
-0.00196646 0.00469819 0.00151518
19.90588956 8.73734001 -7.84188696
0.00010485 0.00014180 -0.00046911
-0.00058380 -0.00178478 0.01449522
21.06241079 7.89132555 -5.24801997
0.00075208 -0.00113935 0.00050511
-0.01090550 0.00888515 -0.00324136
-7.26655821 3.73906704 8.63854304
-0.00044083 -0.00030603 -0.00070880
-0.00715480 0.04905560 -0.00010137
-6.75646924 6.27212165 10.04607404
0.00046149 -0.00008986 -0.00028272
-0.00582982 0.00270974 -0.00005262
-1.69185183 -17.93946744 11.58053002
0.00099391 0.00018970 0.00006578
0.00085210 -0.00247151 0.00164543
-2.73497927 -15.82586189 9.90051933
0.00022715 -0.00019980 -0.00042493
-0.00070674 0.00256566 -0.00809970
8.56770887 -0.30135387 -3.23855552
-0.00004381 0.00011881 -0.00105541
0.02673809 -0.00281965 0.03916656
7.75238951 1.48145997 -5.44640774
0.00028145 0.00057439 -0.00086417
-0.00256436 -0.00978249 0.00366019
0.25824554 -11.97687761 1.94068506
0.00010213 0.00014207 0.00011866
0.00674174 0.00821888 0.00014831
-1.39075357 -10.68976148 -0.13973197
-0.00060635 -0.00035302 0.00023144
0.00488811 0.01207639 -0.00956675
-19.25144380 -0.87004545 6.93167716
-0.00041682 0.00143050 -0.00017683
-0.00343766 -0.00451686 0.01713422
-21.45940329 0.68146208 5.86756392
-0.00062324 0.00086171 -0.00015727
0.01567633 -0.00896493 -0.00736670
-5.46131058 8.29394398 -26.65494163
-0.00008311 0.00047799 0.00039238
0.06283135 0.01070887 -0.04572467
-5.32837645 7.78063734 -23.68009094
0.00046029 0.00027701 0.00035235
-0.00364488 0.00425056 -0.03171516
4.14194523 1.95996514 -2.19680892
0.00028598 -0.00001820 0.00050497
-0.01693267 -0.01972146 0.00594540
1.68775798 0.31791008 -1.49119449
-0.00129270 -0.00007372 -0.00018601
-0.00151847 -0.02842119 0.00273877
14.83220684 7.68142014 5.88087114
-0.00066810 -0.00023507 -0.00015461
-0.00224486 -0.00739286 0.01227211
15.15700844 9.86635371 3.99886516
-0.00132790 -0.00081067 -0.00046075
0.01144707 0.02932989 -0.00054398
1.65310995 -11.71146761 -13.97022343
0.00027854 0.00014056 -0.00010296
0.01238313 0.00619315 0.00344495
-13.58656432 14.71043794 22.83652460
-0.00005304 0.00013414 0.00013572
-0.00202282 0.00034497 -0.00044346
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02436636
0.31762042
423.21329170
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3785254720 (a.u.)
total exchange computation time: 2.6372969151 s
-154.1969122419
-931.33666408
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3778822150 (a.u.)
total exchange computation time: 2.6423900127 s
-154.2036270812
Anderson extrapolation: theta=1.3364575607 (1.3364575607)
-931.33692487
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3769150626 (a.u.)
total exchange computation time: 2.6383349895 s
-154.2132622935
Anderson extrapolation: theta=0.0509479635 (0.0509479635)
-931.33707906
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3767802061 (a.u.)
total exchange computation time: 2.6383287907 s
-154.2143441376
Anderson extrapolation: theta=1.8482332080 (1.8482332080)
-931.33708456
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3765023894 (a.u.)
total exchange computation time: 2.6421999931 s
-154.2164969771
Anderson extrapolation: theta=0.2150003159 (0.2150003159)
-931.33708989
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3764324037 (a.u.)
total exchange computation time: 2.6376330853 s
-154.2169773425
Anderson extrapolation: theta=1.8500560627 (1.8500560627)
-931.33709085
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.156 s
total exchange = -52.3763211916 (a.u.)
total exchange computation time: 2.6391658783 s
-154.2176780659
Anderson extrapolation: theta=0.2899811315 (0.2899811315)
-931.33709198
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3763089019 (a.u.)
total exchange computation time: 2.6393940449 s
-154.2176929756
Anderson extrapolation: theta=1.3030666928 (1.3030666928)
-931.33709225
-22.503483 -126.616120 -244.829323
-137.251186 458.403826 -806.783538
-159.754669 331.787706 -1051.612860
1114.223606
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3763090983 (a.u.)
total exchange computation time: 2.6637101173 s
679.02443856
-1084.24332639
89.74473335
-388.67742504
-174.80920382
78.58113004
551.60419304
0.00000000
-931.33709243
-9.14227887 -5.32056522 9.84780108
0.00026673 0.00001097 0.00028408
0.02246681 -0.03020605 0.00276029
-13.75609911 5.01952517 8.89410651
0.00004987 -0.00009721 -0.00011589
0.00052422 -0.01471144 -0.00911796
-15.88400191 1.51103592 2.97327597
-0.00014216 -0.00015098 0.00010723
-0.00360335 -0.00971520 0.02369793
2.28126744 -19.69422746 13.44847728
-0.00034387 0.00000951 0.00026731
0.02185042 -0.02233277 0.03001343
10.02272346 20.82832664 0.29301803
0.00038242 0.00010228 -0.00032862
-0.02802071 -0.03294510 -0.00842016
-11.29036049 12.83541116 15.19412148
-0.00010207 0.00019584 0.00005148
0.02899001 -0.03684148 0.02628460
-5.95191932 1.00595349 -12.83613172
0.00011667 -0.00014485 0.00017864
0.02527116 0.02793594 -0.02587801
-8.87880159 6.78069222 -6.85668956
0.00001915 0.00014244 -0.00013387
-0.01904217 0.00146128 0.01112799
-7.28322258 -3.79326277 17.99920053
0.00032099 -0.00018907 -0.00018823
0.00668425 -0.05690456 -0.01983774
-23.58897081 -7.67552302 -23.73853217
-0.00040168 -0.00010088 -0.00040500
0.01634995 0.03773259 -0.00613090
8.64579637 13.33072921 6.70520526
0.00047985 0.00034171 0.00014571
0.00258245 -0.00110455 -0.05486365
22.97693285 28.72335073 -2.93377978
-0.00030235 -0.00017374 0.00023899
0.01293059 -0.00104612 -0.00266343
9.55056068 0.14123714 -14.72832466
0.00035984 0.00021442 -0.00026344
-0.04104119 0.00441245 -0.01803062
-9.21832739 -1.20140952 12.39756863
-0.00035948 -0.00045407 -0.00022928
-0.00945390 0.01382498 0.03258603
-2.19551196 -25.93203562 10.54459103
-0.00015388 -0.00004635 -0.00005749
0.02114926 0.01124980 -0.03806784
-15.33100536 -4.15879647 -7.38980792
-0.00021682 -0.00020856 -0.00042224
-0.00032239 0.00642961 -0.00630799
-19.39481263 -11.07473656 -18.27506528
0.00008842 -0.00015943 -0.00013754
-0.01493248 0.04029751 -0.00623807
20.97063060 5.48504228 4.72533720
-0.00026801 0.00044629 0.00014691
0.00623915 0.04483403 0.01012886
19.71052112 -11.48213804 -13.25370296
0.00064631 0.00012368 -0.00001298
-0.03266797 -0.00060144 0.02265185
-3.30164741 -0.42358025 -6.52723215
-0.00018112 -0.00014821 0.00005423
-0.00634675 0.00980849 0.00005592
-3.61458962 -3.12636325 -17.60885997
0.00027432 0.00022566 0.00000778
-0.00106042 0.01294308 -0.01078209
14.29714838 16.43896447 -21.36130223
0.00002500 0.00019107 -0.00009572
-0.01146799 -0.00699802 -0.00490126
-14.55146805 17.78819288 -13.41229595
0.00002801 0.00036466 -0.00007329
-0.01840177 0.01734793 -0.02869986
1.33625655 15.01369272 7.75086251
-0.00035763 0.00003097 -0.00033389
-0.01307098 0.02760493 -0.00478373
-4.25338429 -9.19573524 3.83702434
0.00032517 -0.00000577 -0.00009561
-0.01565270 0.00318869 0.03785651
2.08937158 -5.14594903 2.32466004
-0.00017303 -0.00006831 0.00020749
0.02069525 -0.04999560 -0.02069896
9.66763411 7.22520600 4.36699310
-0.00009065 0.00007490 -0.00012863
-0.01842883 0.00956582 -0.03235871
-9.33293002 -10.38210576 -2.52487960
-0.00010541 -0.00024236 0.00032817
-0.04033295 0.03253699 0.01979883
3.39719393 -15.61659706 -13.14054877
-0.00018393 0.00002849 0.00001262
-0.01493842 0.00947249 -0.00151861
3.86555300 -5.70226017 -3.01800698
-0.00000577 0.00003880 0.00039299
-0.00480168 -0.03403582 0.04469746
18.36963262 1.83965914 24.42223178
-0.00010601 -0.00016962 -0.00009442
0.00925701 0.00945558 0.01048043
-9.02228597 2.37616979 1.54904228
-0.00015817 -0.00033203 0.00000431
0.02606880 0.00408400 -0.01031115
-5.80979408 12.39305546 -9.72145810
0.00037818 -0.00045127 0.00015197
0.01373704 -0.00422921 -0.01386337
1.62870739 13.34486611 -7.48170553
0.00005246 0.00013695 0.00008807
-0.00772114 -0.00489507 -0.04880377
-11.29238118 10.04496732 -12.50388425
-0.00033724 0.00008467 0.00002680
0.02374130 -0.03615081 -0.02090255
7.83437388 3.81072488 14.66030176
-0.00008261 -0.00030767 0.00009393
0.01079021 -0.02604343 0.01523738
-15.26282077 10.04532584 -7.56376284
0.00021622 0.00052681 0.00064628
-0.00802884 -0.00939426 -0.00166562
8.44761741 7.63031568 -3.04140208
-0.00052516 -0.00017829 -0.00013447
-0.01141734 0.02638326 -0.02851768
14.13706048 -20.66721446 -26.62144562
-0.00004672 0.00018345 0.00007754
0.00185607 0.01538953 -0.00391065
5.13947211 6.74917498 1.87453912
0.00004484 -0.00032225 0.00013719
-0.00065997 -0.03337462 -0.03848356
18.20153857 -5.83656958 -7.41681089
-0.00012957 0.00003038 0.00017025
-0.02902355 -0.00117675 -0.00814187
-1.97154981 -2.22303617 -1.97572530
0.00001756 -0.00025946 0.00025171
0.00531003 0.00677504 0.02231801
2.83262959 -2.16777807 -12.02631125
0.00010988 -0.00017641 0.00001845
-0.02992625 0.03079421 0.01446345
19.79863743 9.05353195 -6.01760940
0.00017541 -0.00033446 0.00017060
0.01600018 -0.01558321 -0.01592107
-7.72272029 5.71148401 8.59488691
-0.00011995 -0.00009104 -0.00035895
0.01909512 -0.04554393 0.00813850
-1.69914827 -16.13992170 11.34744759
0.00011792 -0.00015726 -0.00003340
0.00137964 0.00351837 0.00613835
7.64522029 -0.23437797 -4.72301422
0.00014528 0.00054987 0.00015141
-0.03159838 0.02297354 -0.04387489
-1.07643092 -12.27336701 0.72020182
-0.00018639 -0.00020193 0.00009364
-0.01070747 -0.01985618 0.00804740
-20.02065343 -0.37871513 5.35591379
0.00002102 0.00034794 0.00012407
-0.02116062 0.01856767 -0.01324867
-6.36232353 8.05036162 -25.21857380
0.00016387 0.00019394 -0.00002436
-0.04002297 -0.02246085 0.10843513
2.30957473 1.92405885 -1.90915367
-0.00018157 -0.00004243 -0.00013382
0.02902141 0.03239720 -0.00884612
14.57760664 8.20240901 4.15780966
-0.00009879 0.00013031 0.00004071
-0.01031755 -0.02938203 -0.01876949
-8.11989324 -6.91033408 10.08663901
-0.00056764 0.00033140 -0.00087781
-0.02103953 0.02695880 -0.00719734
-10.40632586 -5.61242812 8.56574801
-0.00037074 -0.00027318 0.00029405
0.00315376 -0.00750068 -0.00010067
-13.23656463 5.50599644 7.16824105
-0.00025391 -0.00100295 -0.00064610
0.00041376 0.00421953 0.00860964
-13.33091116 3.20276637 8.97276691
0.00090120 0.00062103 0.00098279
-0.00544414 0.01442302 -0.00251646
-14.48866261 1.53790144 4.23295568
-0.00033027 0.00013905 -0.00037572
-0.02041772 0.00247401 -0.00954347
-17.42542864 0.80291947 3.91027613
0.00088695 0.00049388 0.00023194
0.02174347 0.01178856 -0.01418502
2.31667141 -21.42565304 12.74444543
-0.00058877 -0.00105780 -0.00122343
0.00556228 0.01760594 0.00310354
3.52771659 -19.78340541 14.91102957
0.00103430 0.00009353 0.00039763
-0.03007928 0.00192809 -0.03627120
9.14655717 19.15641826 -0.04003328
0.00009029 -0.00029464 -0.00013422
0.02573615 0.01744968 0.00596862
8.73208429 21.58802527 1.36448746
0.00001658 -0.00094382 -0.00085714
-0.00140421 0.00865954 -0.00086497
-10.43266739 12.07034899 16.80887766
-0.00015244 0.00021157 -0.00021027
-0.02017000 0.01188225 -0.02720824
-11.17310599 14.52113604 15.73049943
0.00032513 -0.00069883 0.00012224
-0.00436002 0.03453564 -0.00038057
-6.06753285 0.15889987 -14.42643073
-0.00035434 0.00003261 0.00038073
0.00013473 -0.00819143 -0.00524841
-7.26602102 0.42970055 -11.77773573
-0.00070743 -0.00004081 -0.00113687
-0.02358229 -0.02200681 0.02783414
-7.75909324 8.20634030 -7.04026094
0.00048096 -0.00046663 -0.00124070
-0.00246304 -0.00359015 -0.00373896
-9.78247089 7.15371269 -5.24459777
-0.00001919 0.00141443 0.00013530
0.01198027 -0.00652397 -0.02230623
-7.58331050 -2.09769910 17.92785213
0.00017596 0.00012802 -0.00004869
-0.00930148 0.06356201 -0.00053167
-7.15319331 -4.27476606 19.73036820
-0.00020298 -0.00050720 0.00037929
-0.00340131 -0.01046874 0.01847652
-24.38255644 -5.99020726 -23.75395231
0.00104302 0.00023847 -0.00079342
-0.00957915 -0.01513017 0.00296208
-21.88188744 -6.93542334 -23.98412170
0.00023095 -0.00045181 -0.00072755
-0.00576904 -0.02150129 0.00235907
8.66606788 13.17062985 4.76141777
-0.00007515 0.00059011 -0.00030996
-0.00098869 0.00875175 0.04535757
9.75536089 11.98438694 7.33144864
-0.00024884 0.00127257 0.00038218
-0.00723643 0.00020839 0.00790172
24.13392227 27.30863796 -2.59784966
-0.00053469 -0.00051658 0.00001217
-0.02407848 0.00856328 -0.00030913
22.45819657 29.46171991 -1.33521291
-0.00122642 -0.00086433 0.00090256
0.00053007 0.00322256 -0.00179706
11.11313914 -0.40150140 -14.13472086
-0.00037586 0.00137377 0.00060863
0.03075973 -0.01159573 0.01412966
8.42929981 -1.33985441 -14.48990691
0.00060197 0.00013548 0.00083917
0.01328830 0.00580532 0.00407236
-9.58301000 -1.30664819 14.22029991
0.00045053 0.00080627 0.00045753
0.00427180 0.00695864 -0.02021338
-9.25808384 -2.93097204 11.82733341
0.00082354 0.00058153 -0.00099986
0.00083282 -0.01350590 -0.00903334
-3.15867753 -26.54158847 11.94150234
0.00036507 -0.00011571 -0.00030941
-0.01785801 -0.00720600 0.01279541
-3.26241860 -25.50063096 9.10624373
0.00051715 0.00059017 0.00002575
0.00204238 -0.00300620 0.01252264
-14.98478082 -2.42297210 -6.75276178
-0.00017676 0.00018654 -0.00046962
0.00295096 -0.01284039 0.00539262
-16.12755889 -3.84370629 -8.98791017
-0.00023247 -0.00029093 -0.00005286
-0.00601447 -0.00161193 -0.00150771
-19.20896461 -9.32280770 -19.05849235
-0.00049485 0.00089643 0.00037402
0.00457467 -0.04171079 0.01507075
-18.26195106 -12.32090191 -18.94749960
-0.00016167 -0.00065192 0.00033776
0.01289820 -0.00033087 -0.01057293
22.46974161 6.29790821 4.04443083
-0.00007876 -0.00037234 0.00035668
0.00682288 -0.01889257 -0.00648633
20.29648592 7.10742134 5.39512727
-0.00093030 0.00004245 0.00001979
-0.01082640 -0.02832659 -0.00271789
18.48493589 -11.13906621 -11.74251585
-0.00045985 0.00004052 0.00030399
0.02187530 0.00090348 -0.03916013
19.09578003 -10.53244116 -14.70666881
0.00051755 0.00066653 0.00063510
-0.00524340 0.00339974 0.01028848
-1.78395772 0.53163263 -6.55008133
-0.00022203 -0.00043170 0.00054129
0.02451929 0.00531542 -0.00679078
-4.47463159 0.93957485 -6.19413901
0.00071772 0.00060391 0.00011729
-0.01033044 -0.00951561 0.00258527
-3.30874322 -4.36103047 -18.92867360
-0.00050881 0.00011939 -0.00112522
0.00017630 0.00690164 0.00736519
-3.66912108 -1.47528340 -18.50227533
0.00016609 -0.00010951 0.00007022
0.00280518 -0.01067401 0.00564593
14.18468577 18.02230187 -20.49313178
0.00126358 0.00009734 -0.00085235
-0.00267800 0.00326995 0.00640054
12.50498650 15.80820873 -21.41806622
0.00044903 -0.00047065 0.00060832
0.01922549 0.00880206 0.00088794
-14.01920125 17.16937987 -11.86483876
-0.00019194 0.00054362 -0.00033826
0.01475331 -0.00660134 0.04624980
-14.36819249 16.25426702 -14.39969007
0.00069023 -0.00036066 -0.00084808
-0.00102797 -0.01560362 -0.01663089
1.88490293 15.98904941 6.30821995
-0.00017054 0.00003379 -0.00012568
0.01193248 -0.01194160 -0.00784416
-0.04744066 16.17216313 8.21191675
0.00091566 -0.00070114 -0.00117645
0.00132280 -0.01932488 0.01365423
-4.50883251 -7.89478249 2.64340363
-0.00004576 0.00061398 0.00005556
-0.00920267 0.01073310 -0.01497490
-3.25800029 -10.42294532 3.03712705
0.00023990 -0.00069851 -0.00056426
0.01965036 -0.02167825 -0.02169315
1.50755957 -3.74934049 3.12631645
0.00088463 0.00040786 -0.00054370
-0.03581555 0.05668804 0.04471890
3.24728823 -4.30084258 1.24503536
0.00086291 0.00079115 -0.00041928
0.01654471 -0.00798917 -0.01922355
8.07231330 7.51454816 3.29010415
0.00051485 -0.00080783 -0.00073359
0.03847891 -0.00924866 0.01888488
11.23280427 7.91248252 3.54533547
0.00010820 0.00020046 -0.00022614
-0.02012136 -0.00952812 0.01517065
-8.16908084 -11.66683120 -2.13342338
-0.00163220 -0.00066334 -0.00002123
0.02681233 -0.02869750 -0.00063685
-10.22940426 -9.93509277 -0.93459263
0.00036504 0.00023293 0.00049934
0.00562495 -0.00024261 -0.02458065
5.04693449 -16.39945435 -13.51467131
-0.00108747 -0.00118875 -0.00061923
-0.00746533 -0.00220264 0.02236560
2.38204701 -16.25362036 -11.70931644
0.00073981 0.00033595 -0.00116658
0.02365400 -0.00657648 -0.01739272
4.36782507 -4.73511520 -4.41122756
-0.00001365 -0.00031128 0.00048529
0.02494683 0.01303924 -0.02385208
5.32871847 -6.62058869 -2.21152957
0.00102185 0.00018485 0.00027680
-0.01702789 0.02009439 -0.02001845
16.63561982 2.42817765 24.60771097
-0.00033151 -0.00103401 -0.00002214
-0.00399244 -0.00395455 -0.00798180
19.37494262 3.26526979 25.13415831
0.00036799 0.00023499 -0.00095288
-0.00752900 -0.01372680 -0.00660137
-9.61185102 0.65834453 1.31628877
-0.00059591 -0.00014779 0.00006926
-0.01485563 0.00503394 0.00885185
-9.97235865 3.39309585 2.70720719
-0.00032323 -0.00010109 -0.00014059
-0.01106046 -0.00395144 0.00164758
-5.09442944 13.73522530 -8.66042977
-0.00034620 0.00009809 -0.00037435
0.00222872 0.00059366 0.00436361
-7.52675872 12.14244281 -9.28074039
-0.00009280 -0.00028700 -0.00070311
-0.01929920 -0.00062946 0.00663666
1.36926623 11.69380980 -6.83220779
-0.00043606 0.00006247 0.00010578
-0.00598038 -0.00320267 0.01963810
2.36304714 14.47437761 -6.33821214
0.00117759 -0.00048597 0.00040559
0.01366744 0.00618083 0.03093872
-10.86258809 8.23010336 -12.88562184
-0.00025259 -0.00102304 0.00044312
-0.00870355 0.02931491 0.00089753
-11.66049273 9.94654078 -10.76251348
0.00005061 -0.00027423 0.00008590
-0.01068006 0.00481128 0.02253628
7.13349203 5.22116709 13.79944990
-0.00023712 -0.00066422 0.00112592
0.00854748 0.01418024 -0.01071243
9.66252234 3.65042680 14.51943504
0.00001888 0.00023486 -0.00049830
-0.01320067 0.01741501 -0.01033815
-14.19949193 11.54744836 -7.58631088
0.00025982 0.00063005 -0.00095179
0.00811385 0.00121169 0.00488162
-16.92060818 10.62528609 -8.01305132
0.00047777 -0.00059566 -0.00008819
-0.00453542 0.00256974 -0.00073782
9.26844493 9.25244732 -2.79607519
0.00059948 0.00018817 -0.00031715
0.00762317 -0.00415634 0.01770586
7.58923287 8.26692812 -4.62120248
0.00007145 -0.00039282 0.00081157
0.00267135 -0.02018070 0.01367236
14.41068783 -19.05321854 -27.52376698
-0.00057102 -0.00039452 0.00020359
-0.00801248 -0.00946067 0.01154183
13.70252463 -20.21215982 -24.88747937
0.00064589 0.00052503 0.00091619
0.00295605 0.00408153 -0.00657443
5.15623748 4.81873164 1.99223714
0.00082590 -0.00008743 0.00048384
0.00479819 0.03192015 0.00876360
5.42147517 6.96587915 0.00186302
0.00007587 0.00039271 0.00085797
0.00047824 0.00430806 0.02960170
19.78426045 -5.23910031 -6.91535851
-0.00024611 0.00131789 0.00046973
0.03052352 0.00113082 0.01221227
16.99218848 -4.91183518 -6.33802208
-0.00056400 0.00052085 0.00035955
-0.00188075 -0.00262072 0.00269868
-2.55842100 -0.69223493 -1.16937676
-0.00009958 0.00059815 0.00034123
0.00033775 -0.00156650 0.01648219
-2.54426353 -1.79186082 -3.62922342
-0.00130562 -0.00040220 -0.00010465
-0.00626305 -0.00367643 -0.02873978
3.84147913 -3.50854054 -12.53194887
-0.00001638 -0.00006920 -0.00018341
0.03077855 -0.03479759 -0.01113018
1.14610260 -2.91416766 -11.81854106
-0.00010082 0.00010549 0.00003880
-0.00144955 0.00459115 0.00141799
19.90744447 8.73941226 -7.84847943
0.00010269 0.00013499 -0.00040219
-0.00047494 -0.00154501 0.01826285
21.07335776 7.87450758 -5.24054261
0.00070014 -0.00109608 0.00048671
-0.01451527 0.01229620 -0.00576516
-7.27338987 3.73597973 8.62790798
-0.00046935 -0.00010433 -0.00070818
-0.00680548 0.04967926 0.00040460
-6.74972553 6.27085677 10.04183168
0.00043488 -0.00008115 -0.00028751
-0.00719619 0.00155392 -0.00229248
-1.67691704 -17.93669773 11.58156719
0.00099707 0.00017452 0.00007274
0.00069165 -0.00495825 0.00176079
-2.73159362 -15.82878023 9.89389718
0.00022699 -0.00019088 -0.00045427
0.00062530 0.00180095 -0.00626307
8.56787105 -0.29965811 -3.25318644
0.00007706 0.00010724 -0.00087827
0.03243004 -0.00284677 0.04754245
7.75653270 1.48977606 -5.45925817
0.00027092 0.00053016 -0.00084593
-0.00259023 -0.01186742 0.00526951
0.25998405 -11.97449469 1.94246955
0.00012687 0.00017490 0.00011665
0.00536844 0.00785295 -0.00113351
-1.39969904 -10.69468676 -0.13655355
-0.00058645 -0.00030257 0.00019125
0.00485389 0.01262027 -0.01010489
-19.25780143 -0.84872629 6.92954979
-0.00042571 0.00140858 -0.00009755
-0.00091436 -0.00621474 0.02167497
-21.46827147 0.69411308 5.86497910
-0.00055214 0.00081950 -0.00019009
0.01912766 -0.01170092 -0.00869768
-5.46063186 8.30144201 -26.65045705
0.00017752 0.00052329 0.00019915
0.06474870 0.01146677 -0.04886204
-5.32158372 7.78492274 -23.67577759
0.00044204 0.00029548 0.00021806
-0.00529047 0.00479185 -0.03401852
4.14571604 1.95908788 -2.18905212
0.00021182 -0.00009999 0.00052992
-0.01936768 -0.02031542 0.00626351
1.66832095 0.31593331 -1.49390073
-0.00129518 -0.00018254 -0.00017705
0.00030537 -0.02484569 0.00164725
14.82211648 7.67766751 5.87892801
-0.00067646 -0.00026454 -0.00010252
-0.00184721 -0.00703088 0.01322506
15.13744070 9.85509235 3.99193720
-0.00127345 -0.00066931 -0.00046389
0.01520553 0.03986770 -0.00099407
1.65732123 -11.70934256 -13.97175854
0.00028298 0.00014278 -0.00010172
0.01242402 0.00619538 0.00345506
-13.58736341 14.71245058 22.83855957
-0.00005350 0.00013422 0.00013563
-0.00193610 0.00035800 -0.00031798
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02427065
0.31282178
416.81933885
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3768945662 (a.u.)
total exchange computation time: 2.5958340168 s
-154.1883128595
-931.33320511
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3762114476 (a.u.)
total exchange computation time: 2.6003170013 s
-154.1953924859
Anderson extrapolation: theta=1.3340733615 (1.3340733615)
-931.33348136
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3751961676 (a.u.)
total exchange computation time: 2.5964779854 s
-154.2054676484
Anderson extrapolation: theta=0.0505225991 (0.0505225991)
-931.33364449
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.156 s
total exchange = -52.3750615097 (a.u.)
total exchange computation time: 2.5968079567 s
-154.2065524174
Anderson extrapolation: theta=1.8489024397 (1.8489024397)
-931.33365033
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3747842384 (a.u.)
total exchange computation time: 2.6632800102 s
-154.2087097705
Anderson extrapolation: theta=0.2164819338 (0.2164819338)
-931.33365604
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3747140516 (a.u.)
total exchange computation time: 2.6618380547 s
-154.2091931499
Anderson extrapolation: theta=1.8593392500 (1.8593392500)
-931.33365709
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3746019243 (a.u.)
total exchange computation time: 2.6623511314 s
-154.2099012432
Anderson extrapolation: theta=0.2907852984 (0.2907852984)
-931.33365837
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.3745894767 (a.u.)
total exchange computation time: 2.6657280922 s
-154.2099156385
Anderson extrapolation: theta=1.2961725899 (1.2961725899)
-931.33365868
-22.485482 -126.600592 -244.856941
-137.236130 458.402765 -806.832194
-159.721612 331.802173 -1051.689135
1114.295164
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3745897878 (a.u.)
total exchange computation time: 2.6597220898 s
679.00504271
-1084.19586704
89.74565178
-388.70880675
-174.80508982
78.55570862
551.60419304
0.00000000
-931.33365891
-9.13819129 -5.32051711 9.85207294
0.00027678 -0.00000388 0.00028435
0.01662901 -0.02757448 -0.00169825
-13.75534907 5.01801022 8.89233301
0.00005011 -0.00010400 -0.00012086
0.00042631 -0.01168311 -0.01021865
-15.88614815 1.50873377 2.97497582
-0.00014355 -0.00015545 0.00011841
-0.00180834 -0.00767729 0.01978224
2.27619372 -19.69417102 13.45260276
-0.00033188 -0.00000400 0.00028247
0.02475211 -0.03016940 0.02894258
10.02835166 20.82973379 0.28805625
0.00036809 0.00008440 -0.00033343
-0.02768679 -0.03660570 -0.01028390
-11.29177965 12.83820671 15.19499512
-0.00008727 0.00017541 0.00006438
0.02854787 -0.04262589 0.02385482
-5.95007179 1.00388858 -12.83355189
0.00012965 -0.00013043 0.00016558
0.02520792 0.02812575 -0.02493257
-8.87858782 6.78283452 -6.85865468
0.00000886 0.00014324 -0.00012759
-0.02094473 0.00161802 0.01330178
-7.27838201 -3.79631830 17.99630062
0.00032428 -0.00021735 -0.00019724
0.00611560 -0.05309001 -0.01523270
-23.59493298 -7.67689068 -23.74463075
-0.00039219 -0.00008167 -0.00040828
0.02054602 0.03696929 -0.00663919
8.65300401 13.33585067 6.70717921
0.00047988 0.00034272 0.00011657
-0.00245819 0.00502807 -0.05842260
22.97244748 28.72074058 -2.93020517
-0.00029604 -0.00017388 0.00023852
0.01161616 0.00050564 0.00083243
9.55580000 0.14447049 -14.73234582
0.00033737 0.00021703 -0.00027325
-0.04636184 0.00572889 -0.02011591
-9.22375601 -1.20816727 12.39425509
-0.00036435 -0.00044505 -0.00021166
-0.00947888 0.02126616 0.03594075
-2.19773852 -25.93268753 10.54358190
-0.00014203 -0.00004037 -0.00007719
0.02491051 0.01203613 -0.03855552
-15.33425897 -4.16190012 -7.39616588
-0.00021656 -0.00020477 -0.00042462
0.00133667 0.00832745 -0.00294459
-19.39354396 -11.07697258 -18.27715241
0.00008053 -0.00013806 -0.00014077
-0.01575194 0.04279629 -0.00632761
20.96663447 5.49190950 4.72757991
-0.00026522 0.00046854 0.00015214
0.00460502 0.04169287 0.01019627
19.72008970 -11.48028516 -13.25381034
0.00062883 0.00012339 -0.00000043
-0.03528486 -0.00051249 0.02616213
-3.30438866 -0.42576550 -6.52641855
-0.00018463 -0.00014314 0.00005433
-0.00729186 0.00989465 0.00035573
-3.61047892 -3.12292835 -17.60878479
0.00027397 0.00023087 0.00000135
-0.00030598 0.00729258 -0.01423631
14.29747921 16.44180355 -21.36275693
0.00001972 0.00018650 -0.00009881
-0.00910226 -0.01077108 -0.00712370
-14.55111888 17.79372977 -13.41350596
0.00001854 0.00037230 -0.00008979
-0.01841011 0.01233734 -0.03547625
1.33084165 15.01426377 7.74583577
-0.00036225 0.00004343 -0.00033704
-0.00488018 0.02084198 -0.00749888
-4.24856712 -9.19580946 3.83573620
0.00031783 -0.00000450 -0.00007737
-0.01287443 0.00175418 0.03307578
2.08685590 -5.14716661 2.32769252
-0.00016023 -0.00009288 0.00019476
0.02908632 -0.04551290 -0.02880216
9.66620323 7.22636633 4.36493876
-0.00009949 0.00007978 -0.00014529
-0.01592012 0.00941612 -0.03242110
-9.33466671 -10.38561563 -2.51988070
-0.00012714 -0.00022444 0.00033805
-0.04416534 0.03712653 0.01863630
3.39437741 -15.61613310 -13.14036529
-0.00019015 0.00003421 0.00000986
-0.00927816 0.01273802 -0.00922870
3.86544796 -5.70180950 -3.01193970
-0.00000747 0.00002070 0.00041661
-0.00182268 -0.03633528 0.04716564
18.36807821 1.83715132 24.42085595
-0.00010087 -0.00016470 -0.00008910
0.01074109 0.00968919 0.01018922
-9.02455802 2.37120512 1.54906708
-0.00014491 -0.00032971 -0.00000076
0.02552568 0.00494430 -0.00940373
-5.80406843 12.38627017 -9.71923198
0.00038458 -0.00045382 0.00014484
0.01117737 -0.00570421 -0.01386703
1.62946452 13.34690151 -7.48057270
0.00004876 0.00013468 0.00006375
-0.00665339 -0.00393936 -0.04576027
-11.29734817 10.04609785 -12.50356293
-0.00032477 0.00006473 0.00001606
0.02475371 -0.04135473 -0.02083524
7.83317634 3.80600931 14.66176950
-0.00007618 -0.00032218 0.00010229
0.01423694 -0.03036301 0.01726182
-15.25960843 10.05319173 -7.55407507
0.00021300 0.00052190 0.00064553
-0.00450071 -0.00967752 -0.00125061
8.43969592 7.62774314 -3.04352916
-0.00052946 -0.00016393 -0.00014748
-0.00528277 0.02944542 -0.02204861
14.13636677 -20.66440327 -26.62029761
-0.00004622 0.00019069 0.00007731
0.00010862 0.01272722 0.00303306
5.14014224 6.74421249 1.87644849
0.00004446 -0.00033903 0.00011851
-0.00082262 -0.03189496 -0.03415285
18.19948311 -5.83611841 -7.41428848
-0.00014401 0.00003067 0.00016697
-0.02713138 0.00228449 -0.00464820
-1.97126594 -2.22690191 -1.97186357
0.00001935 -0.00025434 0.00026242
0.00164466 0.01314555 0.01932758
2.83416228 -2.17030538 -12.02597869
0.00009433 -0.00016054 0.00002597
-0.03051321 0.03090652 0.01476519
19.80133028 9.04845500 -6.01511186
0.00018440 -0.00034321 0.00016218
0.01895320 -0.01847119 -0.01679844
-7.72444594 5.70994277 8.58953401
-0.00010991 -0.00011415 -0.00035432
0.01995242 -0.04431728 0.00987731
-1.69737421 -16.14226703 11.34697025
0.00011828 -0.00015463 -0.00003077
0.00004015 0.00669153 0.00408068
7.64727767 -0.22604131 -4.72091227
0.00012781 0.00056194 0.00012677
-0.03636489 0.02397076 -0.05195675
-1.07926802 -12.27647252 0.72163749
-0.00019151 -0.00021205 0.00009820
-0.00922780 -0.01950897 0.00967040
-20.02041982 -0.37342436 5.35772368
0.00000879 0.00035840 0.00011652
-0.02638650 0.02208251 -0.01611621
-6.36001992 8.05318407 -25.21852097
0.00014357 0.00018224 0.00003159
-0.03891285 -0.02304497 0.10916630
2.30696318 1.92354730 -1.91119509
-0.00016674 -0.00002682 -0.00013809
0.02862968 0.02832856 -0.00776901
14.57608492 8.20425026 4.15834786
-0.00010498 0.00011268 0.00003104
-0.01374870 -0.03913988 -0.01881442
-8.12905262 -6.90453695 10.07325124
-0.00064645 0.00043316 -0.00090423
-0.01753422 0.02285037 -0.00573199
-10.41179029 -5.61675559 8.57015562
-0.00035316 -0.00030087 0.00029888
0.00545031 -0.00605413 0.00246725
-13.24036056 5.49108149 7.15881338
-0.00025272 -0.00098546 -0.00060857
0.00016548 0.00434271 0.00976087
-13.31755999 3.21252372 8.98743163
0.00087962 0.00067373 0.00097243
-0.00512153 0.01137768 -0.00255482
-14.49424234 1.54006300 4.22702743
-0.00040818 0.00014900 -0.00041088
-0.01771788 0.00239613 -0.00766875
-17.41145809 0.81068883 3.91332050
0.00096719 0.00053814 0.00017768
0.01753438 0.00988135 -0.01237319
2.30801038 -21.44098056 12.72618903
-0.00056474 -0.00096851 -0.00120132
0.00619775 0.02610466 0.00772097
3.54230942 -19.78194335 14.91588257
0.00090441 0.00009965 0.00024203
-0.03350697 0.00106528 -0.03989739
9.14870017 19.15253334 -0.04186373
0.00019849 -0.00022087 -0.00011038
0.02722971 0.01866229 0.00570047
8.73228990 21.57413335 1.35160384
0.00000723 -0.00090386 -0.00085601
-0.00317140 0.01090250 0.00141967
-10.43557213 12.07388659 16.80488986
-0.00023414 0.00025808 -0.00032022
-0.01981940 0.01088498 -0.02661378
-11.16836265 14.51171192 15.73232140
0.00030802 -0.00054343 0.00012407
-0.00401487 0.04153308 0.00127495
-6.07284385 0.15913801 -14.42088054
-0.00035244 -0.00000205 0.00035468
0.00079718 -0.00877675 -0.00750499
-7.27735506 0.42841401 -11.79393583
-0.00080485 -0.00012999 -0.00102035
-0.02410718 -0.02164726 0.02920004
-7.75195425 8.19923079 -7.05898597
0.00047184 -0.00048010 -0.00125536
-0.00200158 -0.00300092 -0.00343750
-9.78239159 7.17472928 -5.24325185
0.00003301 0.00138597 0.00003915
0.01357062 -0.00740806 -0.02475951
-7.58095613 -2.09383100 17.92710556
0.00013957 0.00037749 -0.00005003
-0.00851080 0.05855586 -0.00012556
-7.15634223 -4.28269488 19.73662375
-0.00021761 -0.00054731 0.00044491
-0.00376143 -0.00916316 0.01364461
-24.36720461 -5.98709382 -23.76576285
0.00100002 0.00018083 -0.00078072
-0.01147042 -0.01308508 0.00325410
-21.87859998 -6.94285929 -23.99496261
0.00020285 -0.00054262 -0.00071705
-0.00798631 -0.02295173 0.00278037
8.66491039 13.17974966 4.75815820
-0.00007800 0.00062490 -0.00012144
-0.00040743 0.00827975 0.04692398
9.75140661 12.00348181 7.33742345
-0.00026949 0.00126225 0.00041780
-0.00287647 -0.00525768 0.00953666
24.12516413 27.30115163 -2.59767656
-0.00063304 -0.00048184 0.00001099
-0.02406397 0.00844183 -0.00027164
22.43981651 29.44885369 -1.32172957
-0.00122159 -0.00085401 0.00088768
0.00183271 0.00182960 -0.00548495
11.10844383 -0.38125025 -14.12515837
-0.00023877 0.00132314 0.00067121
0.03634679 -0.01318804 0.01650378
8.43873658 -1.33764426 -14.47719454
0.00065581 0.00015919 0.00085501
0.01306404 0.00579692 0.00367949
-9.57612114 -1.29434095 14.22654341
0.00046863 0.00083110 0.00036779
0.00458704 0.00519711 -0.02371199
-9.24570515 -2.92266293 11.81205876
0.00082593 0.00051508 -0.00103596
0.00033361 -0.01902206 -0.00864181
-3.15374867 -26.54354498 11.93725327
0.00028799 -0.00014711 -0.00025273
-0.01987339 -0.00816374 0.01494893
-3.25459878 -25.49187051 9.10701376
0.00052201 0.00057838 0.00007399
0.00033620 -0.00276468 0.01108804
-14.98734184 -2.42056747 -6.75964087
-0.00016543 0.00013016 -0.00044853
0.00259523 -0.01475601 0.00493415
-16.13123032 -3.84811959 -8.98874934
-0.00025964 -0.00029673 -0.00006387
-0.00728160 -0.00122941 -0.00388122
-19.21624725 -9.31063942 -19.05242019
-0.00047501 0.00071908 0.00043643
0.00514095 -0.04510334 0.01547571
-18.26398089 -12.33069088 -18.94275720
-0.00010846 -0.00065136 0.00029357
0.01314691 0.00060713 -0.01105688
22.46876935 6.29174417 4.04958226
-0.00004874 -0.00044600 0.00032988
0.00787199 -0.01716518 -0.00663237
20.28219968 7.10719010 5.39534081
-0.00097332 -0.00007049 0.00000845
-0.01023343 -0.02696098 -0.00283257
18.47870847 -11.13843065 -11.73915594
-0.00036558 0.00004313 0.00014058
0.02426852 0.00037219 -0.04083187
19.10338265 -10.52233898 -14.69682705
0.00049592 0.00068137 0.00067369
-0.00534563 0.00386178 0.00860020
-1.78653675 0.52532000 -6.54217005
-0.00011810 -0.00040978 0.00051329
0.02635246 0.00541523 -0.00691493
-4.46418229 0.94834198 -6.19230047
0.00067376 0.00056473 0.00012771
-0.01119196 -0.00966593 0.00251596
-3.31637004 -4.35902818 -18.94532619
-0.00050934 0.00015448 -0.00108656
-0.00043430 0.01027482 0.01155690
-3.66654383 -1.47725308 -18.50104907
0.00017746 -0.00014869 0.00009181
0.00276065 -0.00850756 0.00492563
14.20355740 18.02386221 -20.50572089
0.00125040 0.00011747 -0.00082203
-0.00377569 0.00658387 0.00844125
12.51231102 15.80141870 -21.40891423
0.00052493 -0.00043326 0.00061237
0.01793216 0.00950176 0.00109649
-14.02162832 17.17733195 -11.86849543
-0.00013028 0.00051430 -0.00014478
0.01543233 -0.00775332 0.04845958
-14.35787056 16.24837904 -14.41292083
0.00068483 -0.00041200 -0.00090642
-0.00161273 -0.00952793 -0.01193137
1.88271049 15.98919029 6.30609433
-0.00012021 -0.00001466 -0.00015962
0.01270556 -0.01177314 -0.00877018
-0.03366524 16.16105380 8.19468840
0.00090302 -0.00076649 -0.00111367
-0.00750925 -0.01266411 0.01707891
-4.50980086 -7.88524387 2.64377813
-0.00008136 0.00065079 -0.00000083
-0.00822636 0.00728502 -0.01262699
-3.25379962 -10.43408731 3.02799836
0.00031231 -0.00077719 -0.00064772
0.01579238 -0.01683323 -0.01916040
1.51973145 -3.74148546 3.11953135
0.00073659 0.00064290 -0.00035832
-0.03665061 0.05836203 0.04602533
3.26073888 -4.28922015 1.23815707
0.00091495 0.00074556 -0.00048377
0.00892802 -0.01432774 -0.01234460
8.08121519 7.50214734 3.27967896
0.00066832 -0.00084399 -0.00065733
0.03664266 -0.00845509 0.01844332
11.23381065 7.91519743 3.54240828
0.00002459 0.00016018 -0.00016286
-0.02080690 -0.01019073 0.01580569
-8.19274222 -11.67766073 -2.13376140
-0.00151419 -0.00078975 -0.00002109
0.03095164 -0.03318050 0.00070540
-10.22375624 -9.93160623 -0.92785573
0.00038753 0.00023179 0.00039881
0.00538345 -0.00031749 -0.02463067
5.03039362 -16.41735314 -13.52327441
-0.00111666 -0.00119686 -0.00052871
-0.00682359 -0.00176520 0.02194420
2.39386895 -16.24878258 -11.72734816
0.00082374 0.00030164 -0.00122086
0.01743393 -0.01021893 -0.00917581
4.36838479 -4.73938484 -4.40467906
0.00008834 -0.00025548 0.00038443
0.02497799 0.01427387 -0.02552223
5.34352443 -6.61720023 -2.20799095
0.00094616 0.00026918 0.00019333
-0.02002282 0.02118935 -0.02083989
16.63052489 2.41254639 24.60713436
-0.00034756 -0.00104834 -0.00005405
-0.00386647 -0.00306186 -0.00764126
19.38023178 3.26837408 25.11966275
0.00033390 0.00017732 -0.00097983
-0.00915916 -0.01450315 -0.00658628
-9.62124485 0.65628187 1.31759886
-0.00065660 -0.00012811 0.00010497
-0.01485365 0.00460131 0.00863209
-9.97754600 3.39145846 2.70514890
-0.00036690 -0.00011807 -0.00013538
-0.01031771 -0.00436065 0.00090089
-5.09955421 13.73671489 -8.66591132
-0.00033572 0.00010214 -0.00035496
0.00290435 0.00138494 0.00512693
-7.52874209 12.13811846 -9.29108368
-0.00016703 -0.00028868 -0.00067757
-0.01703647 -0.00018995 0.00586791
1.36254210 11.69464876 -6.83001935
-0.00046017 0.00005157 0.00018448
-0.00582229 -0.00213409 0.01888716
2.38112976 14.46727749 -6.33118024
0.00123081 -0.00046479 0.00052720
0.01238466 0.00418706 0.02859091
-10.86664371 8.21565601 -12.87894747
-0.00029048 -0.00089330 0.00044735
-0.00984057 0.03419343 0.00116892
-11.66006092 9.94257479 -10.76053447
0.00000711 -0.00025384 0.00017753
-0.01061324 0.00516638 0.02231894
7.13019721 5.21163831 13.81601048
-0.00020776 -0.00059642 0.00107663
0.00582426 0.01900636 -0.01341615
9.66240105 3.65448332 14.51164369
-0.00003618 0.00030568 -0.00053967
-0.01375054 0.01725381 -0.00991131
-14.19534602 11.55693620 -7.60043819
0.00029079 0.00063289 -0.00093123
0.00704879 0.00017941 0.00518603
-16.91358056 10.61642999 -8.01439671
0.00045344 -0.00058285 -0.00009287
-0.00737804 0.00370102 -0.00155431
9.27767071 9.25514255 -2.80028985
0.00062491 0.00016084 -0.00024661
0.00482694 -0.00922552 0.01682172
7.59038648 8.26041738 -4.60860992
0.00007589 -0.00047093 0.00085649
-0.00049747 -0.01805123 0.00831607
14.40187696 -19.05942629 -27.52035946
-0.00060201 -0.00042528 0.00024620
-0.00715526 -0.00559454 0.00931770
13.71230353 -20.20415933 -24.87393797
0.00065983 0.00053894 0.00087987
0.00387100 0.00272733 -0.01120663
5.16877294 4.81839835 1.99976329
0.00084464 0.00004025 0.00051830
0.00437691 0.03058129 0.00810292
5.42262794 6.97190176 0.01563960
0.00007836 0.00040965 0.00097089
0.00073966 0.00398417 0.02567507
19.78150420 -5.21929725 -6.90793838
-0.00012947 0.00131933 0.00051629
0.02656789 -0.00042824 0.01057860
16.98367090 -4.90410268 -6.33254616
-0.00056751 0.00050571 0.00036606
0.00016217 -0.00479371 0.00049040
-2.55990437 -0.68331074 -1.16375327
-0.00009441 0.00058169 0.00040299
0.00219182 -0.00649141 0.01375193
-2.56403977 -1.79800650 -3.63167378
-0.00132742 -0.00041963 -0.00021062
-0.00440573 -0.00485506 -0.02313711
3.84217662 -3.51064481 -12.53504113
0.00010893 -0.00021107 -0.00022907
0.03056087 -0.03464787 -0.01121914
1.14454589 -2.91244459 -11.81791559
-0.00010579 0.00012387 0.00004435
-0.00098147 0.00440715 0.00129929
19.90897027 8.74138983 -7.85395264
0.00010099 0.00012896 -0.00032121
-0.00035690 -0.00140625 0.02137849
21.08341514 7.85844319 -5.23341858
0.00063460 -0.00103986 0.00045878
-0.01757081 0.01522315 -0.00790830
-7.28063860 3.73593707 8.61729771
-0.00049624 0.00009843 -0.00070560
-0.00635953 0.04957472 0.00085729
-6.74342284 6.26968713 10.03744882
0.00040286 -0.00007698 -0.00030111
-0.00847582 0.00048681 -0.00436464
-1.66193987 -17.93423189 11.58271227
0.00099962 0.00014956 0.00008008
0.00055726 -0.00725718 0.00183196
-2.72816965 -15.83158820 9.88689120
0.00023245 -0.00018517 -0.00047581
0.00204660 0.00099106 -0.00428180
8.57002075 -0.29813681 -3.26490367
0.00021879 0.00009560 -0.00067105
0.03694828 -0.00284786 0.05389530
7.76051716 1.49736483 -5.47178564
0.00026038 0.00047830 -0.00082138
-0.00257041 -0.01351893 0.00674813
0.26205157 -11.97163049 1.94418458
0.00014584 0.00020611 0.00010930
0.00391985 0.00742140 -0.00246434
-1.40834702 -10.69883859 -0.13399442
-0.00056655 -0.00025079 0.00014932
0.00488861 0.01272750 -0.01041866
-19.26421510 -0.82778800 6.92875080
-0.00042482 0.00138015 -0.00000072
0.00135121 -0.00770437 0.02572094
-21.47596740 0.70604697 5.86186124
-0.00046832 0.00076709 -0.00022784
0.02189963 -0.01395353 -0.00978143
-5.45598493 8.30964280 -26.64896705
0.00044145 0.00057057 0.00000015
0.06444410 0.01167584 -0.04855299
-5.31511522 7.78950182 -23.67354911
0.00041818 0.00031578 0.00007649
-0.00639083 0.00514167 -0.03528225
4.14829987 1.95696556 -2.18091146
0.00012915 -0.00018393 0.00055583
-0.02109882 -0.02077394 0.00642220
1.64890263 0.31243385 -1.49650602
-0.00128954 -0.00027495 -0.00017297
0.00245345 -0.02039041 0.00034939
14.81191291 7.67348399 5.87779539
-0.00068332 -0.00029214 -0.00004757
-0.00150924 -0.00648024 0.01367571
15.11880484 9.84627433 3.98494832
-0.00120481 -0.00048740 -0.00046876
0.01839457 0.04918124 -0.00138563
1.66159922 -11.70718426 -13.97327509
0.00028743 0.00014500 -0.00010048
0.01244417 0.00620300 0.00345743
-13.58816924 14.71446446 22.84059343
-0.00005394 0.00013430 0.00013557
-0.00184690 0.00038880 -0.00017938
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02418943
0.30946947
412.35255706
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3744451190 (a.u.)
total exchange computation time: 2.6623520851 s
-154.1776099804
-931.33172064
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.246 s
total exchange = -52.3737467627 (a.u.)
total exchange computation time: 2.6622910500 s
-154.1848407666
Anderson extrapolation: theta=1.3336495174 (1.3336495174)
-931.33200692
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3727154064 (a.u.)
total exchange computation time: 2.6627678871 s
-154.1950910052
Anderson extrapolation: theta=0.0504804170 (0.0504804170)
-931.33217611
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3725826934 (a.u.)
total exchange computation time: 2.6624889374 s
-154.1961714427
Anderson extrapolation: theta=1.8573364807 (1.8573364807)
-931.33218224
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3723087259 (a.u.)
total exchange computation time: 2.6656332016 s
-154.1983256223
Anderson extrapolation: theta=0.2186428952 (0.2186428952)
-931.33218833
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3722392310 (a.u.)
total exchange computation time: 2.6630020142 s
-154.1988088316
Anderson extrapolation: theta=1.8643691521 (1.8643691521)
-931.33218948
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3721282824 (a.u.)
total exchange computation time: 2.6619279385 s
-154.1995146423
Anderson extrapolation: theta=0.2910205667 (0.2910205667)
-931.33219091
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3721163255 (a.u.)
total exchange computation time: 2.6637139320 s
-154.1995247345
Anderson extrapolation: theta=1.2877299873 (1.2877299873)
-931.33219127
-22.462389 -126.584157 -244.885415
-137.218986 458.402743 -806.878974
-159.681375 331.818586 -1051.764389
1114.365310
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3721174152 (a.u.)
total exchange computation time: 2.6584539413 s
678.97181426
-1084.11874026
89.74701612
-388.76123931
-174.79892492
78.51368840
551.60419304
0.00000000
-931.33219153
-9.13397542 -5.32068174 9.85633170
0.00028371 -0.00001715 0.00028236
0.01031166 -0.02401489 -0.00606189
-13.75459574 5.01640513 8.89048067
0.00005026 -0.00010915 -0.00012637
0.00014664 -0.00835629 -0.01121857
-15.88830834 1.50637239 2.97682829
-0.00014395 -0.00015881 0.00012737
0.00023736 -0.00538352 0.01505189
2.27131096 -19.69434733 13.45695152
-0.00031862 -0.00002120 0.00029693
0.02680617 -0.03671435 0.02727760
10.03376626 20.83085855 0.28301513
0.00035402 0.00006485 -0.00033914
-0.02705741 -0.03939689 -0.01190190
-11.29297857 12.84067340 15.19605280
-0.00007277 0.00015245 0.00007597
0.02783411 -0.04663934 0.02123343
-5.94802979 1.00204064 -12.83116441
0.00014225 -0.00011612 0.00015321
0.02379935 0.02753254 -0.02316786
-8.87853564 6.78498930 -6.86051719
-0.00000229 0.00014410 -0.00012036
-0.02242535 0.00172522 0.01480685
-7.27349425 -3.79978340 17.99328320
0.00032714 -0.00024304 -0.00020385
0.00502202 -0.04679282 -0.01046751
-23.60073665 -7.67797313 -23.75078054
-0.00038067 -0.00006300 -0.00041181
0.02425706 0.03564193 -0.00710578
8.66019268 13.34101091 6.70870245
0.00047730 0.00034694 0.00008585
-0.00754832 0.01136478 -0.06103439
22.96805172 28.71813433 -2.92662414
-0.00029050 -0.00017314 0.00023979
0.00989955 0.00239043 0.00411060
9.56068166 0.14774803 -14.73652216
0.00031268 0.00022019 -0.00028398
-0.04963960 0.00657709 -0.02161990
-9.22925775 -1.21476097 12.39121882
-0.00036922 -0.00043237 -0.00019255
-0.00948452 0.02803704 0.03838729
-2.19977290 -25.93324658 10.54227533
-0.00012835 -0.00003410 -0.00009687
0.02827432 0.01233578 -0.03797372
-15.33750227 -4.16493953 -7.40254655
-0.00021548 -0.00020009 -0.00042534
0.00287139 0.00986722 0.00016470
-19.39239682 -11.07887844 -18.27928836
0.00007230 -0.00011577 -0.00014400
-0.01624230 0.04389163 -0.00624153
20.96267387 5.49909837 4.72990128
-0.00026323 0.00048901 0.00015734
0.00315653 0.03792081 0.01003435
19.72938607 -11.47843624 -13.25371589
0.00061014 0.00012312 0.00001374
-0.03740373 -0.00054616 0.02895717
-3.30718616 -0.42787440 -6.52560221
-0.00018843 -0.00013793 0.00005459
-0.00748718 0.01035866 0.00063334
-3.60637059 -3.11943720 -17.60881943
0.00027396 0.00023320 -0.00000672
0.00027708 0.00177674 -0.01715949
14.29773983 16.44455953 -21.36426657
0.00001574 0.00018014 -0.00010299
-0.00636716 -0.01397864 -0.00912681
-14.55091173 17.79936184 -13.41498967
0.00000925 0.00037721 -0.00010924
-0.01772249 0.00674916 -0.04015666
1.32538910 15.01499560 7.74075117
-0.00036244 0.00005221 -0.00034165
0.00414487 0.01330305 -0.01042421
-4.24384928 -9.19587014 3.83470323
0.00031200 -0.00000402 -0.00006178
-0.00979129 0.00009708 0.02755848
2.08456461 -5.14873530 2.33050280
-0.00014364 -0.00011437 0.00017853
0.03544519 -0.03806415 -0.03431840
9.66464954 7.22759931 4.36263430
-0.00010699 0.00008449 -0.00016177
-0.01325683 0.00890924 -0.03166343
-9.33674412 -10.38883907 -2.51473803
-0.00015042 -0.00020454 0.00034728
-0.04637496 0.04026209 0.01723731
3.39148931 -15.61557086 -13.14025300
-0.00019329 0.00004170 0.00000290
-0.00291841 0.01640397 -0.01783441
3.86532886 -5.70163915 -3.00550854
-0.00000768 0.00000178 0.00044105
0.00100553 -0.03725749 0.04785611
18.36660666 1.83471824 24.41955872
-0.00009505 -0.00015973 -0.00008398
0.01187472 0.00961518 0.00971360
-9.02663314 2.36627859 1.54901934
-0.00013198 -0.00032694 -0.00000533
0.02475595 0.00581427 -0.00835187
-5.79825655 12.37944086 -9.71711284
0.00038951 -0.00045712 0.00013778
0.00796483 -0.00714346 -0.01358439
1.63017031 13.34890653 -7.47979289
0.00004575 0.00013299 0.00004126
-0.00505123 -0.00264265 -0.04171725
-11.30212420 10.04690934 -12.50340234
-0.00031190 0.00004240 0.00000567
0.02529957 -0.04550812 -0.01958127
7.83208863 3.80105950 14.66337041
-0.00006814 -0.00033872 0.00011156
0.01702561 -0.03394570 0.01878685
-15.25643081 10.06098296 -7.54439695
0.00021156 0.00051695 0.00064497
-0.00108513 -0.00957806 -0.00094362
8.43173368 7.62539776 -3.04582633
-0.00053053 -0.00014819 -0.00015697
0.00111248 0.03175904 -0.01486798
14.13567391 -20.66149390 -26.61912620
-0.00004658 0.00019642 0.00008063
-0.00151157 0.00958989 0.00984239
5.14080602 6.73900394 1.87809438
0.00004395 -0.00035491 0.00010226
-0.00115479 -0.02985573 -0.02902503
18.19721833 -5.83564961 -7.41180193
-0.00015718 0.00003281 0.00016549
-0.02410669 0.00606949 -0.00107304
-1.97096938 -2.23066624 -1.96785274
0.00001922 -0.00024600 0.00027144
-0.00213779 0.01925724 0.01575455
2.83545958 -2.17259426 -12.02553221
0.00007883 -0.00014500 0.00003348
-0.02975492 0.02950285 0.01443708
19.80416935 9.04323555 -6.01274392
0.00019475 -0.00035331 0.00015340
0.02130546 -0.02078054 -0.01737266
-7.72601767 5.70805963 8.58425731
-0.00009950 -0.00013646 -0.00034884
0.02054281 -0.04243621 0.01141834
-1.69559984 -16.14456073 11.34652439
0.00011794 -0.00015045 -0.00002920
-0.00135699 0.00959576 0.00202863
7.64905450 -0.21751972 -4.71921114
0.00010828 0.00057438 0.00009871
-0.03956321 0.02438301 -0.05717632
-1.08217630 -12.27972854 0.72314777
-0.00019589 -0.00022186 0.00010353
-0.00780729 -0.01861829 0.01107028
-20.02038977 -0.36796324 5.35940925
-0.00000586 0.00037046 0.00010762
-0.03055905 0.02482448 -0.01848829
-6.35801650 8.05582873 -25.21762596
0.00012428 0.00017044 0.00008679
-0.03609621 -0.02281174 0.10547052
2.30457250 1.92325430 -1.91329645
-0.00015237 -0.00001349 -0.00014174
0.02725294 0.02352047 -0.00641801
14.57445714 8.20578956 4.15874090
-0.00011272 0.00009050 0.00002144
-0.01634017 -0.04712036 -0.01851743
-8.13928661 -6.89733940 10.05951218
-0.00070964 0.00051616 -0.00092448
-0.01339754 0.01777892 -0.00417988
-10.41692068 -5.62145409 8.57471444
-0.00032653 -0.00032255 0.00031389
0.00758416 -0.00455959 0.00487877
-13.24414636 5.47643268 7.14998391
-0.00025247 -0.00096743 -0.00056663
-0.00004008 0.00448260 0.01077204
-13.30452270 3.22297836 9.00193976
0.00085964 0.00071335 0.00096206
-0.00465454 0.00801307 -0.00252219
-14.50090792 1.54237141 4.22062919
-0.00047405 0.00015868 -0.00043760
-0.01452711 0.00234480 -0.00540805
-17.39641293 0.81906379 3.91560656
0.00102882 0.00057397 0.00013176
0.01263335 0.00765682 -0.01010729
2.29972918 -21.45470823 12.70840582
-0.00053813 -0.00084721 -0.00116137
0.00682675 0.03327265 0.01183493
3.55484875 -19.78041601 14.91829041
0.00076225 0.00010231 0.00007386
-0.03607920 0.00023621 -0.04242045
9.15251197 19.14979216 -0.04334482
0.00031196 -0.00014356 -0.00008788
0.02831250 0.01917965 0.00531614
8.73230114 21.56090960 1.33880722
-0.00000922 -0.00085506 -0.00084583
-0.00488061 0.01298364 0.00356425
-10.43969153 12.07809128 16.79927101
-0.00031374 0.00029996 -0.00042657
-0.01914806 0.00961895 -0.02544470
-11.16386537 14.50483319 15.73422150
0.00029223 -0.00036251 0.00013182
-0.00371372 0.04702539 0.00252134
-6.07810599 0.15883826 -14.41579030
-0.00034779 -0.00003878 0.00031999
0.00147753 -0.00920031 -0.00947741
-7.29016654 0.42580080 -11.80834637
-0.00090164 -0.00021648 -0.00090042
-0.02327052 -0.02068931 0.02950887
-7.74493793 8.19193736 -7.07792167
0.00046449 -0.00049128 -0.00126876
-0.00159731 -0.00247069 -0.00312330
-9.78148061 7.19529186 -5.24342335
0.00009094 0.00135416 -0.00006566
0.01478770 -0.00816327 -0.02654641
-7.57912334 -2.08637425 17.92635130
0.00010739 0.00060119 -0.00004946
-0.00724288 0.05094563 0.00040279
-7.15972167 -4.29118528 19.74371552
-0.00023367 -0.00058182 0.00049021
-0.00409925 -0.00773153 0.00853133
-24.35255576 -5.98478232 -23.77737396
0.00094941 0.00013202 -0.00076688
-0.01330542 -0.01080774 0.00352141
-21.87580197 -6.95170186 -24.00563312
0.00016654 -0.00063869 -0.00070491
-0.00978929 -0.02407835 0.00315878
8.66372793 13.18937691 4.75777442
-0.00007843 0.00065753 0.00007132
0.00019507 0.00768963 0.04743704
9.74727604 12.02225446 7.34398273
-0.00027219 0.00122944 0.00046035
0.00155528 -0.01080362 0.01129115
24.11493120 27.29418267 -2.59752010
-0.00073046 -0.00044856 0.00001013
-0.02362820 0.00785150 -0.00014749
22.42154876 29.43609959 -1.30858239
-0.00121146 -0.00084913 0.00085801
0.00312569 0.00056051 -0.00904209
11.10597607 -0.36180735 -14.11458443
-0.00008258 0.00126751 0.00074225
0.04010779 -0.01404312 0.01826810
8.44897398 -1.33507883 -14.46425668
0.00070825 0.00018235 0.00086926
0.01260654 0.00554321 0.00329651
-9.56895116 -1.28171521 14.23133368
0.00048772 0.00084862 0.00026527
0.00475733 0.00337895 -0.02647098
-9.23330602 -2.91551960 11.79625449
0.00082657 0.00042750 -0.00107022
-0.00001824 -0.02384793 -0.00812761
-3.15003778 -26.54600181 11.93392037
0.00020385 -0.00018179 -0.00018869
-0.02131544 -0.00881006 0.01639814
-3.24675834 -25.48327950 9.10846334
0.00051954 0.00056789 0.00011568
-0.00154333 -0.00237309 0.00932124
-14.98974381 -2.41906717 -6.76621757
-0.00015545 0.00006670 -0.00042917
0.00229348 -0.01631125 0.00454146
-16.13534800 -3.85260822 -8.98982638
-0.00029187 -0.00030094 -0.00008424
-0.00849511 -0.00083027 -0.00608819
-19.22321481 -9.30123535 -19.04539958
-0.00045270 0.00053008 0.00049958
0.00578065 -0.04741306 0.01543778
-18.26520500 -12.34044263 -18.93869243
-0.00005502 -0.00064634 0.00024796
0.01301275 0.00185090 -0.01127172
22.46827954 6.28452814 4.05432722
-0.00001458 -0.00051243 0.00030261
0.00884838 -0.01535122 -0.00671527
20.26728627 7.10530653 5.39538076
-0.00101416 -0.00017669 -0.00000303
-0.00975589 -0.02502131 -0.00278691
18.47396839 -11.13777228 -11.73829846
-0.00026255 0.00004375 -0.00002812
0.02616591 -0.00006800 -0.04174941
19.11065765 -10.51200012 -14.68645822
0.00047395 0.00069811 0.00070526
-0.00541020 0.00433350 0.00685333
-1.78750074 0.51933924 -6.53468256
-0.00000847 -0.00038831 0.00048486
0.02731316 0.00509581 -0.00700106
-4.45441891 0.95651672 -6.19030772
0.00062654 0.00052500 0.00013783
-0.01192214 -0.00978075 0.00243761
-3.32402347 -4.35639618 -18.96127051
-0.00051201 0.00020243 -0.00103158
-0.00087114 0.01319885 0.01535926
-3.66379739 -1.47974415 -18.49952095
0.00018862 -0.00017841 0.00011016
0.00270200 -0.00604210 0.00405631
14.22219763 18.02582606 -20.51779265
0.00123296 0.00015044 -0.00078381
-0.00475960 0.00955357 0.01026540
12.52073453 15.79521100 -21.39969504
0.00059459 -0.00039347 0.00061725
0.01616522 0.00997656 0.00129005
-14.02310959 17.18480887 -11.86918219
-0.00006724 0.00048176 0.00005342
0.01542661 -0.00817519 0.04855947
-14.34764748 16.24190713 -14.42688281
0.00067703 -0.00043892 -0.00094548
-0.00220969 -0.00365130 -0.00718582
1.88129672 15.98860964 6.30343121
-0.00006699 -0.00006238 -0.00019712
0.01334675 -0.01158495 -0.00958398
-0.02035003 16.14916834 8.17850675
0.00085283 -0.00080307 -0.00103668
-0.01706055 -0.00524211 0.02060465
-4.51127338 -7.87525878 2.64337878
-0.00011281 0.00067272 -0.00004697
-0.00716899 0.00344894 -0.00996060
-3.24863109 -10.44626095 3.01769540
0.00036811 -0.00083487 -0.00071999
0.01152451 -0.01140095 -0.01621370
1.52965715 -3.73005363 3.11556696
0.00058849 0.00087768 -0.00017205
-0.03584472 0.05656491 0.04515564
3.27473668 -4.27847581 1.23052223
0.00093667 0.00067515 -0.00052093
0.00170293 -0.02013810 -0.00584468
8.09236277 7.48922834 3.27038410
0.00081289 -0.00087663 -0.00058391
0.03412511 -0.00752027 0.01750067
11.23354185 7.91728779 3.54044977
-0.00006068 0.00011772 -0.00009762
-0.02093212 -0.01059114 0.01612587
-8.21450669 -11.69052377 -2.13405619
-0.00138199 -0.00093186 -0.00001632
0.03376599 -0.03638219 0.00163257
-10.21777829 -9.92813916 -0.92262834
0.00040846 0.00023060 0.00029939
0.00486004 -0.00026223 -0.02403426
5.01343456 -16.43536011 -13.53053263
-0.00114304 -0.00120315 -0.00044021
-0.00608901 -0.00131592 0.02137698
2.40675935 -16.24457108 -11.74594223
0.00088065 0.00025161 -0.00123947
0.01042409 -0.01427481 0.00006801
4.37047532 -4.74277969 -4.39969472
0.00018940 -0.00019643 0.00027934
0.02449276 0.01463307 -0.02592123
5.35710328 -6.61251316 -2.20572952
0.00085961 0.00035695 0.00010747
-0.02234627 0.02177069 -0.02119155
16.62519299 2.39672748 24.60608944
-0.00036286 -0.00105907 -0.00008459
-0.00362103 -0.00219042 -0.00730692
19.38495960 3.27058953 25.10476354
0.00029361 0.00011715 -0.00100632
-0.01056291 -0.01495217 -0.00638347
-9.63154900 0.65450120 1.31943798
-0.00071711 -0.00011016 0.00013969
-0.01476524 0.00418506 0.00836262
-9.98336568 3.38955383 2.70314582
-0.00040723 -0.00013681 -0.00013345
-0.00942459 -0.00481479 0.00004234
-5.10450098 13.73828936 -8.67107867
-0.00032270 0.00010912 -0.00033274
0.00347007 0.00203400 0.00575227
-7.53176955 12.13378246 -9.30106735
-0.00023059 -0.00028833 -0.00065541
-0.01407950 0.00036136 0.00497851
1.35546115 11.69535692 -6.82667339
-0.00048353 0.00004568 0.00025974
-0.00561336 -0.00075045 0.01795425
2.39997138 14.46043399 -6.32239612
0.00127762 -0.00045309 0.00063757
0.01053067 0.00153868 0.02543713
-10.87130242 8.20330424 -12.87220147
-0.00033249 -0.00074579 0.00045223
-0.01072680 0.03801387 0.00122275
-11.66027956 9.93892544 -10.75718761
-0.00003571 -0.00023196 0.00026626
-0.01034405 0.00554796 0.02111487
7.12725933 5.20327436 13.83174884
-0.00018915 -0.00051009 0.00101720
0.00328203 0.02325622 -0.01567467
9.66143704 3.65959726 14.50324491
-0.00009255 0.00037559 -0.00057925
-0.01384425 0.01696659 -0.00946288
-14.19076813 11.56643504 -7.61424766
0.00031704 0.00063106 -0.00090934
0.00580022 -0.00107527 0.00552916
-16.90700511 10.60780071 -8.01583736
0.00041808 -0.00056568 -0.00010082
-0.00992904 0.00470139 -0.00233850
9.28719232 9.25727239 -2.80347357
0.00063902 0.00011354 -0.00017974
0.00207922 -0.01392428 0.01591266
7.59150959 8.25280034 -4.59550771
0.00006673 -0.00053957 0.00087819
-0.00398498 -0.01555222 0.00230277
14.39262757 -19.06597691 -27.51638089
-0.00062939 -0.00043942 0.00027912
-0.00624676 -0.00132993 0.00679579
13.72231967 -20.19599170 -24.86108339
0.00067717 0.00054745 0.00082553
0.00461301 0.00143786 -0.01539245
5.18157664 4.81993926 2.00778604
0.00086164 0.00016114 0.00055001
0.00394296 0.02859360 0.00742302
5.42382605 6.97816855 0.03098971
0.00008217 0.00042547 0.00106611
0.00112462 0.00375916 0.02093539
19.78037620 -5.19952045 -6.89986993
-0.00003098 0.00131345 0.00055554
0.02164716 -0.00244793 0.00863863
16.97516327 -4.89666396 -6.32704019
-0.00056297 0.00048199 0.00036397
0.00205677 -0.00681523 -0.00151526
-2.56125342 -0.67478438 -1.15728698
-0.00008196 0.00054562 0.00045369
0.00390272 -0.01116375 0.01106680
-2.58408602 -1.80444972 -3.63554212
-0.00134110 -0.00044181 -0.00029262
-0.00229342 -0.00600440 -0.01700325
3.84474708 -3.51487252 -12.53882097
0.00023080 -0.00034904 -0.00027384
0.02909386 -0.03288976 -0.01069712
1.14292904 -2.91045142 -11.81721049
-0.00010896 0.00014135 0.00004938
-0.00057123 0.00414682 0.00116195
19.91047420 8.74328121 -7.85811565
0.00009979 0.00012330 -0.00022893
-0.00023069 -0.00136561 0.02379352
21.09239567 7.84331177 -5.22677922
0.00055771 -0.00097270 0.00042287
-0.02006512 0.01765132 -0.00966910
-7.28827709 3.73893266 8.60673998
-0.00052112 0.00029922 -0.00070129
-0.00581758 0.04871295 0.00125010
-6.73763961 6.26854732 10.03279847
0.00036589 -0.00007694 -0.00032270
-0.00962234 -0.00046847 -0.00620727
-1.64692854 -17.93221082 11.58396963
0.00100166 0.00011581 0.00008760
0.00044224 -0.00926412 0.00184668
-2.72462025 -15.83433543 9.87962279
0.00024377 -0.00018283 -0.00048914
0.00349730 0.00015666 -0.00224048
8.57443487 -0.29679005 -3.27331786
0.00037572 0.00008413 -0.00044324
0.03986770 -0.00276581 0.05761605
7.76434408 1.50412508 -5.48389955
0.00025002 0.00042064 -0.00079111
-0.00249946 -0.01470848 0.00806933
0.26435932 -11.96831146 1.94574857
0.00015884 0.00023543 0.00009650
0.00244206 0.00693228 -0.00379954
-1.41669541 -10.70221040 -0.13207382
-0.00054635 -0.00019948 0.00010659
0.00499916 0.01238779 -0.01050011
-19.27054596 -0.80732189 6.92952815
-0.00041543 0.00134615 0.00011114
0.00324216 -0.00893493 0.02903538
-21.48232118 0.71712571 5.85814390
-0.00037465 0.00070652 -0.00026951
0.02395628 -0.01569293 -0.01061615
-5.44738847 8.31855915 -26.65045267
0.00069961 0.00061751 -0.00019068
0.06192875 0.01130241 -0.04485712
-5.30903839 7.79439602 -23.67348295
0.00039093 0.00033711 -0.00006812
-0.00694513 0.00530082 -0.03550506
4.14959064 1.95357009 -2.17237721
0.00004088 -0.00026946 0.00058209
-0.02211142 -0.02109448 0.00643144
1.62963468 0.30768473 -1.49908989
-0.00127465 -0.00034792 -0.00017447
0.00483470 -0.01532573 -0.00108037
14.80161684 7.66890332 5.87750090
-0.00068891 -0.00031710 0.00000820
-0.00122698 -0.00574017 0.01362615
15.10129632 9.84047044 3.97787452
-0.00112475 -0.00027145 -0.00047489
0.02079736 0.05652410 -0.00161561
1.66594401 -11.70499265 -13.97477308
0.00029188 0.00014722 -0.00009925
0.01244394 0.00621448 0.00345041
-13.58898151 14.71647970 22.84262667
-0.00005435 0.00013440 0.00013555
-0.00175384 0.00043977 -0.00003036
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02412868
0.30806285
410.47830576
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3712151576 (a.u.)
total exchange computation time: 2.6643509865 s
-154.1651138905
-931.33238931
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3705312406 (a.u.)
total exchange computation time: 2.6642069817 s
-154.1722294690
Anderson extrapolation: theta=1.3341719076 (1.3341719076)
-931.33267796
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3695218311 (a.u.)
total exchange computation time: 2.6624560356 s
-154.1823191028
Anderson extrapolation: theta=0.0504877651 (0.0504877651)
-931.33284881
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3693923087 (a.u.)
total exchange computation time: 2.6628799438 s
-154.1833858810
Anderson extrapolation: theta=1.8627355583 (1.8627355583)
-931.33285506
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3691241107 (a.u.)
total exchange computation time: 2.6647348404 s
-154.1855192714
Anderson extrapolation: theta=0.2200268456 (0.2200268456)
-931.33286136
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3690558185 (a.u.)
total exchange computation time: 2.6629569530 s
-154.1859994048
Anderson extrapolation: theta=1.8681753556 (1.8681753556)
-931.33286257
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3689468406 (a.u.)
total exchange computation time: 2.6621098518 s
-154.1866993413
Anderson extrapolation: theta=0.2920307805 (0.2920307805)
-931.33286411
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3689352960 (a.u.)
total exchange computation time: 2.6643829346 s
-154.1867067418
Anderson extrapolation: theta=1.2827258350 (1.2827258350)
-931.33286450
-22.434692 -126.567625 -244.914388
-137.200127 458.403735 -806.923677
-159.634819 331.836110 -1051.838065
1114.433396
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1332828556
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3689368709 (a.u.)
total exchange computation time: 2.6676909924 s
678.92521453
-1084.01297931
89.74872262
-388.83406904
-174.79081672
78.45564647
551.60419304
0.00000000
-931.33286479
-9.12968000 -5.32103163 9.86054369
0.00028730 -0.00002835 0.00027817
0.00364679 -0.01953980 -0.01020936
-13.75384128 5.01473558 8.88854179
0.00005022 -0.00011254 -0.00013237
-0.00031076 -0.00481970 -0.01208637
-15.89046669 1.50396947 2.97879688
-0.00014323 -0.00016093 0.00013369
0.00255741 -0.00285424 0.00954198
2.26663499 -19.69480688 13.46151072
-0.00030452 -0.00004143 0.00031040
0.02803971 -0.04198352 0.02511183
10.03897212 20.83167937 0.27788219
0.00034032 0.00004411 -0.00034559
-0.02621852 -0.04127585 -0.01320992
-11.29396275 12.84278029 15.19727428
-0.00005870 0.00012799 0.00008619
0.02687724 -0.04849952 0.01851368
-5.94580418 1.00040511 -12.82895566
0.00015379 -0.00010231 0.00014191
0.02107300 0.02616168 -0.02075169
-8.87865647 6.78715740 -6.86226546
-0.00001409 0.00014500 -0.00011253
-0.02345080 0.00178313 0.01562585
-7.26856775 -3.80360949 17.99018502
0.00032933 -0.00026500 -0.00020801
0.00349687 -0.03858965 -0.00569824
-23.60635318 -7.67878062 -23.75698515
-0.00036738 -0.00004514 -0.00041557
0.02743077 0.03380975 -0.00751846
8.66732312 13.34625883 6.70975483
0.00047215 0.00035440 0.00005406
-0.01247665 0.01766184 -0.06260830
22.96373233 28.71554653 -2.92301140
-0.00028594 -0.00017135 0.00024267
0.00784637 0.00454797 0.00707592
9.56518036 0.15107632 -14.74086530
0.00028691 0.00022366 -0.00029529
-0.05058437 0.00690081 -0.02236179
-9.23483266 -1.22113836 12.38847869
-0.00037409 -0.00041646 -0.00017245
-0.00945407 0.03383622 0.03977777
-2.20158915 -25.93371047 10.54067580
-0.00011308 -0.00002781 -0.00011596
0.03114019 0.01210942 -0.03627850
-15.34072343 -4.16790282 -7.40892595
-0.00021366 -0.00019471 -0.00042454
0.00422780 0.01103738 0.00291248
-19.39137499 -11.08044569 -18.28147245
0.00006390 -0.00009327 -0.00014715
-0.01640934 0.04361749 -0.00599073
20.95873761 5.50657978 4.73230007
-0.00026192 0.00050740 0.00016240
0.00195072 0.03358367 0.00963366
19.73839388 -11.47659153 -13.25339804
0.00059048 0.00012281 0.00002917
-0.03906385 -0.00065772 0.03104993
-3.31004142 -0.42990339 -6.52478098
-0.00019213 -0.00013238 0.00005498
-0.00690510 0.01120495 0.00089493
-3.60226011 -3.11593234 -17.60898646
0.00027421 0.00023276 -0.00001615
0.00068887 -0.00348089 -0.01948922
14.29795132 16.44720767 -21.36584663
0.00001326 0.00017231 -0.00010812
-0.00327414 -0.01645459 -0.01084039
-14.55084131 17.80504598 -13.41678317
0.00000049 0.00037914 -0.00013051
-0.01635947 0.00076129 -0.04255753
1.31996852 15.01583006 7.73558616
-0.00035784 0.00005698 -0.00034780
0.01371709 0.00525384 -0.01347275
-4.23920698 -9.19593008 3.83388286
0.00030779 -0.00000442 -0.00004913
-0.00660484 -0.00165606 0.02161018
2.08254677 -5.15059764 2.33304833
-0.00012430 -0.00013134 0.00016012
0.03975745 -0.02794209 -0.03726186
9.66299357 7.22890101 4.36008558
-0.00011308 0.00008885 -0.00017764
-0.01043268 0.00805966 -0.03005571
-9.33917929 -10.39175191 -2.50946237
-0.00017438 -0.00018348 0.00035574
-0.04680053 0.04163240 0.01565778
3.38857870 -15.61488208 -13.14027831
-0.00019303 0.00005116 -0.00000865
0.00393512 0.02039558 -0.02709682
3.86521752 -5.70175623 -2.99870819
-0.00000647 -0.00001727 0.00046538
0.00369238 -0.03682036 0.04675887
18.36522673 1.83235934 24.41833643
-0.00008875 -0.00015489 -0.00007915
0.01263160 0.00921990 0.00906490
-9.02851728 2.36139692 1.54890716
-0.00011949 -0.00032374 -0.00000932
0.02378358 0.00664704 -0.00718012
-5.79238323 12.37255645 -9.71509850
0.00039265 -0.00046114 0.00013093
0.00425739 -0.00847006 -0.01304607
1.63083714 13.35089116 -7.47933492
0.00004368 0.00013201 0.00002105
-0.00299756 -0.00114465 -0.03685695
-11.30670505 10.04736975 -12.50339281
-0.00029886 0.00001819 -0.00000380
0.02541165 -0.04864065 -0.01723922
7.83113226 3.79584780 14.66511625
-0.00005887 -0.00035684 0.00012145
0.01901044 -0.03654568 0.01968986
-15.25326156 10.06870030 -7.53472611
0.00021181 0.00051214 0.00064452
0.00204762 -0.00913710 -0.00079384
8.42378001 7.62329739 -3.04823821
-0.00052828 -0.00013148 -0.00016261
0.00764103 0.03323966 -0.00708051
14.13496938 -20.65851055 -26.61787886
-0.00004773 0.00020045 0.00008736
-0.00296208 0.00606506 0.01634972
5.14146088 6.73356506 1.87951635
0.00004323 -0.00036960 0.00008884
-0.00167238 -0.02726897 -0.02316102
18.19476758 -5.83513399 -7.40932366
-0.00016859 0.00003696 0.00016585
-0.02022918 0.01003563 0.00245449
-1.97068931 -2.23428200 -1.96372037
0.00001715 -0.00023465 0.00027853
-0.00590229 0.02490989 0.01181768
2.83652732 -2.17465553 -12.02497437
0.00006405 -0.00013055 0.00004067
-0.02774682 0.02671928 0.01351613
19.80717278 9.03785579 -6.01051000
0.00020617 -0.00036447 0.00014441
0.02309178 -0.02261155 -0.01757181
-7.72743091 5.70584911 8.57906870
-0.00008886 -0.00015762 -0.00034264
0.02082356 -0.03987176 0.01271715
-1.69383594 -16.14678041 11.34609418
0.00011689 -0.00014486 -0.00002866
-0.00274272 0.01211180 0.00007698
7.65052611 -0.20881002 -4.71795111
0.00008759 0.00058685 0.00006880
-0.04089392 0.02413083 -0.05911606
-1.08514482 -12.28312819 0.72474345
-0.00019957 -0.00023107 0.00010952
-0.00649401 -0.01720088 0.01220686
-20.02059547 -0.36231060 5.36095218
-0.00002234 0.00038372 0.00009768
-0.03354737 0.02674194 -0.02014928
-6.35629156 8.05829741 -25.21591727
0.00010682 0.00015897 0.00013906
-0.03180257 -0.02180458 0.09780077
2.30239207 1.92314275 -1.91544732
-0.00013893 -0.00000274 -0.00014465
0.02499381 0.01824857 -0.00488046
14.57270330 8.20696534 4.15899109
-0.00012153 0.00006485 0.00001205
-0.01793393 -0.05265267 -0.01800680
-8.15034167 -6.88905225 10.04551695
-0.00075472 0.00057654 -0.00093828
-0.00867134 0.01178071 -0.00257634
-10.42158628 -5.62643203 8.57957226
-0.00029170 -0.00033808 0.00033826
0.00946851 -0.00304222 0.00704980
-13.24793461 5.46205860 7.14181462
-0.00025295 -0.00094879 -0.00052090
-0.00019463 0.00464073 0.01161040
-13.29177067 3.23392409 9.01629332
0.00084185 0.00073873 0.00095196
-0.00405551 0.00441456 -0.00241824
-14.50846382 1.54482351 4.21389951
-0.00052598 0.00016823 -0.00045437
-0.01089103 0.00232603 -0.00280273
-17.38059352 0.82790800 3.91727318
0.00106903 0.00060009 0.00009603
0.00705238 0.00512847 -0.00738057
2.29186636 -21.46639674 12.69134792
-0.00050900 -0.00069930 -0.00110568
0.00743421 0.03912659 0.01542361
3.56517691 -19.77887419 14.91809847
0.00061130 0.00010166 -0.00010249
-0.03781331 -0.00055460 -0.04390731
9.15805893 19.14822642 -0.04450011
0.00042901 -0.00006554 -0.00006716
0.02898343 0.01901242 0.00482618
8.73201327 21.54848157 1.32622903
-0.00003236 -0.00079819 -0.00082732
-0.00644473 0.01485392 0.00549457
-10.44498444 12.08288549 16.79209274
-0.00038992 0.00033612 -0.00052689
-0.01814117 0.00808067 -0.02366332
-11.15959569 14.50083648 15.73627612
0.00027749 -0.00016301 0.00014358
-0.00350250 0.05063172 0.00323309
-6.08327758 0.15797465 -14.41128089
-0.00034034 -0.00007683 0.00027798
0.00217094 -0.00942752 -0.01108377
-7.30440418 0.42191961 -11.82094842
-0.00099227 -0.00029790 -0.00078121
-0.02109654 -0.01916740 0.02884704
-7.73801950 8.18449252 -7.09704879
0.00045863 -0.00050046 -0.00128085
-0.00126986 -0.00202411 -0.00279536
-9.77966335 7.21535414 -5.24522178
0.00015306 0.00131958 -0.00017638
0.01561902 -0.00876489 -0.02764852
-7.57773445 -2.07579523 17.92562172
0.00008113 0.00078980 -0.00004659
-0.00561260 0.04137753 0.00100242
-7.16335234 -4.30014952 19.75133015
-0.00025102 -0.00061036 0.00051447
-0.00439588 -0.00623968 0.00334295
-24.33872235 -5.98313319 -23.78876926
0.00089148 0.00009287 -0.00075200
-0.01504874 -0.00835811 0.00376417
-21.87360391 -6.96202010 -24.01611003
0.00012374 -0.00073870 -0.00069134
-0.01115973 -0.02487670 0.00348724
8.66255743 13.19947543 4.76029788
-0.00007639 0.00068751 0.00026405
0.00080547 0.00698770 0.04690546
9.74324079 12.04036499 7.35123400
-0.00025704 0.00117426 0.00051012
0.00586338 -0.01620472 0.01307068
24.10325019 27.28769490 -2.59737269
-0.00082530 -0.00041860 0.00000995
-0.02279380 0.00681319 0.00005752
22.40347258 29.42337985 -1.29598936
-0.00119615 -0.00084910 0.00081428
0.00437311 -0.00054905 -0.01236061
11.10596636 -0.34322509 -14.10289090
0.00008462 0.00120998 0.00081887
0.04173985 -0.01411496 0.01923748
8.45998400 -1.33217369 -14.45111678
0.00075837 0.00020400 0.00088198
0.01192935 0.00505567 0.00292923
-9.56148963 -1.26888238 14.23450165
0.00050722 0.00085867 0.00015311
0.00478962 0.00154186 -0.02843246
-9.22090800 -2.90983782 11.77995211
0.00082605 0.00032216 -0.00110195
-0.00023943 -0.02771979 -0.00740449
-3.14763323 -26.54899858 11.93159245
0.00011510 -0.00021837 -0.00012037
-0.02212494 -0.00909743 0.01704501
-3.23901250 -25.47483392 9.11048418
0.00050912 0.00055928 0.00014958
-0.00355832 -0.00183854 0.00727135
-14.99200522 -2.41856653 -6.77251594
-0.00014657 -0.00000232 -0.00041127
0.00205063 -0.01747443 0.00422057
-16.13998632 -3.85714775 -8.99127655
-0.00032884 -0.00030352 -0.00011308
-0.00960539 -0.00043224 -0.00802747
-19.22982810 -9.29473705 -19.03743285
-0.00042765 0.00033381 0.00056173
0.00647896 -0.04866049 0.01498712
-18.26563161 -12.35008096 -18.93531847
-0.00000287 -0.00063564 0.00020198
0.01251763 0.00338375 -0.01123464
22.46833201 6.27637128 4.05866063
0.00002330 -0.00057134 0.00027518
0.00969421 -0.01348698 -0.00671292
20.25177496 7.10188949 5.39524991
-0.00105329 -0.00027384 -0.00001401
-0.00940064 -0.02253518 -0.00258857
18.47083191 -11.13711808 -11.73999963
-0.00015271 0.00004271 -0.00019917
0.02760113 -0.00044024 -0.04197691
19.11760108 -10.50139568 -14.67566937
0.00045183 0.00071674 0.00072966
-0.00541832 0.00478643 0.00509473
-1.78679081 0.51367079 -6.52762413
0.00010323 -0.00036901 0.00045615
0.02736383 0.00435194 -0.00705599
-4.44538618 0.96409204 -6.18816559
0.00057662 0.00048487 0.00014761
-0.01251479 -0.00986197 0.00235208
-3.33173029 -4.35295527 -18.97627351
-0.00051611 0.00026127 -0.00096203
-0.00113558 0.01560481 0.01868277
-3.66088536 -1.48260552 -18.49774423
0.00019951 -0.00019756 0.00012471
0.00263044 -0.00332763 0.00306573
14.24054617 18.02837541 -20.52923530
0.00121173 0.00019451 -0.00073875
-0.00563180 0.01201922 0.01179402
12.53014875 15.78961473 -21.39039679
0.00065608 -0.00035221 0.00062290
0.01393546 0.01021749 0.00147653
-14.02364543 17.19178476 -11.86689293
-0.00000563 0.00044903 0.00024767
0.01473283 -0.00784644 0.04652727
-14.33755981 16.23521144 -14.44128518
0.00066680 -0.00044263 -0.00096538
-0.00279738 0.00183365 -0.00255411
1.88070092 15.98731899 6.30018073
-0.00001147 -0.00010930 -0.00023764
0.01382646 -0.01138380 -0.01025053
-0.00808040 16.13696161 8.16358788
0.00076279 -0.00080830 -0.00094532
-0.02701440 0.00268272 0.02411760
-4.51318526 -7.86506232 2.64236897
-0.00013985 0.00067853 -0.00008185
-0.00606404 -0.00060355 -0.00711297
-3.24275627 -10.45913330 3.00639876
0.00040613 -0.00086976 -0.00077971
0.00708435 -0.00567811 -0.01301961
1.53738606 -3.71515516 3.11436999
0.00044663 0.00109833 0.00000663
-0.03359454 0.05144607 0.04230602
3.28883885 -4.26896566 1.22252920
0.00093009 0.00058238 -0.00053268
-0.00491965 -0.02527284 0.00009409
8.10560175 7.47584846 3.26216179
0.00094575 -0.00090520 -0.00051542
0.03091351 -0.00646520 0.01602411
11.23199021 7.91872907 3.53947955
-0.00014531 0.00007417 -0.00003173
-0.02049561 -0.01072595 0.01613011
-8.23420177 -11.70561653 -2.13425092
-0.00124132 -0.00108380 -0.00000874
0.03509108 -0.03799576 0.00207789
-10.21150249 -9.92468815 -0.91887391
0.00042668 0.00022992 0.00020374
0.00405735 -0.00007023 -0.02278975
4.99610232 -16.45344773 -13.53648074
-0.00116619 -0.00120762 -0.00035433
-0.00523993 -0.00086843 0.02066079
2.42028860 -16.24123442 -11.76453213
0.00090768 0.00018433 -0.00121869
0.00280369 -0.01865501 0.01010319
4.37406691 -4.74527773 -4.39629899
0.00028741 -0.00013771 0.00017526
0.02348069 0.01411282 -0.02502614
5.36931261 -6.60649184 -2.20476685
0.00076493 0.00044608 0.00002109
-0.02399940 0.02185851 -0.02109007
16.61963918 2.38077433 24.60459672
-0.00037690 -0.00106629 -0.00011378
-0.00325186 -0.00134610 -0.00698310
19.38904006 3.27188861 25.08947312
0.00024809 0.00005584 -0.00103162
-0.01171942 -0.01505892 -0.00599951
-9.64275805 0.65297702 1.32178961
-0.00077706 -0.00009383 0.00017321
-0.01458187 0.00380765 0.00804542
-9.98976295 3.38735411 2.70114533
-0.00044366 -0.00015744 -0.00013519
-0.00840746 -0.00528495 -0.00089232
-5.10923508 13.73998849 -8.67589348
-0.00030762 0.00011839 -0.00030828
0.00391108 0.00250488 0.00621897
-7.53565989 12.12946862 -9.31074591
-0.00028098 -0.00028556 -0.00063702
-0.01058295 0.00099545 0.00402416
1.34803617 11.69601910 -6.82222708
-0.00050595 0.00004596 0.00033086
-0.00535917 0.00089094 0.01685928
2.41945839 14.45368478 -6.31205305
0.00131587 -0.00045315 0.00073375
0.00819359 -0.00156690 0.02164083
-10.87661854 8.19328220 -12.86538053
-0.00037764 -0.00058478 0.00045693
-0.01137134 0.04080184 0.00107579
-11.66113214 9.93561610 -10.75254671
-0.00007706 -0.00020844 0.00034822
-0.00989755 0.00596176 0.01900393
7.12452259 5.19633569 13.84652655
-0.00018028 -0.00040807 0.00094972
0.00106056 0.02668303 -0.01736071
9.65962456 3.66575101 14.49426618
-0.00014837 0.00044408 -0.00061697
-0.01347975 0.01655929 -0.00900147
-14.18583475 11.57586798 -7.62771827
0.00033791 0.00062378 -0.00088595
0.00441679 -0.00248783 0.00591690
-16.90103818 10.59945956 -8.01742132
0.00037315 -0.00054476 -0.00011183
-0.01206574 0.00553921 -0.00304827
9.29684135 9.25854887 -2.80568206
0.00064214 0.00004806 -0.00011661
-0.00055044 -0.01812995 0.01498799
7.59238848 8.24423017 -4.58226437
0.00004279 -0.00059733 0.00087414
-0.00773692 -0.01271813 -0.00428070
14.38299534 -19.07260904 -27.51198583
-0.00065301 -0.00043557 0.00030126
-0.00531784 0.00321914 0.00404218
13.73261852 -20.18773594 -24.84917216
0.00069715 0.00055088 0.00075520
0.00517092 0.00024090 -0.01903380
5.19462199 4.82323257 2.01626372
0.00087687 0.00027258 0.00057894
0.00351625 0.02595857 0.00673509
5.42509308 6.98466572 0.04762287
0.00008781 0.00044060 0.00114041
0.00163715 0.00364753 0.01543699
19.78057487 -5.17989367 -6.89127205
0.00004611 0.00129860 0.00058645
0.01608685 -0.00482227 0.00648910
16.96678168 -4.88964293 -6.32162708
-0.00055109 0.00045040 0.00035416
0.00375950 -0.00864827 -0.00328667
-2.56236328 -0.66694220 -1.15014245
-0.00006291 0.00049125 0.00049368
0.00542486 -0.01545141 0.00850618
-2.60427283 -1.81126093 -3.64045253
-0.00134582 -0.00046850 -0.00034909
-0.00001524 -0.00705990 -0.01063724
3.84910058 -3.52111592 -12.54325640
0.00034433 -0.00047682 -0.00031532
0.02648289 -0.02966056 -0.00960669
1.14127717 -2.90820411 -11.81643417
-0.00011058 0.00015761 0.00005382
-0.00022375 0.00381415 0.00100926
19.91196399 8.74508890 -7.86082044
0.00009912 0.00011761 -0.00012827
-0.00009770 -0.00141887 0.02547648
21.10014649 7.82926213 -5.22073243
0.00047176 -0.00089664 0.00038053
-0.02200690 0.01958116 -0.01105649
-7.29627212 3.74491369 8.59625886
-0.00054357 0.00049483 -0.00069552
-0.00517371 0.04704142 0.00157753
-6.73244609 6.26737880 10.02776770
0.00032459 -0.00008054 -0.00035126
-0.01059631 -0.00129307 -0.00776988
-1.63189011 -17.93075750 11.58534016
0.00100325 0.00007466 0.00009503
0.00033697 -0.01088277 0.00179407
-2.72085652 -15.83707306 9.87221708
0.00026097 -0.00018390 -0.00049417
0.00492025 -0.00068176 -0.00022119
8.58129233 -0.29561279 -3.27820098
0.00054069 0.00007329 -0.00020641
0.04088515 -0.00254152 0.05831452
7.76801782 1.50998391 -5.49551892
0.00024007 0.00035909 -0.00075581
-0.00237310 -0.01542071 0.00921052
0.26681673 -11.96456758 1.94707971
0.00016582 0.00026265 0.00007833
0.00097741 0.00639356 -0.00509791
-1.42473741 -10.70482300 -0.13079672
-0.00052554 -0.00015045 0.00006399
0.00518689 0.01161065 -0.01035146
-19.27667812 -0.78740336 6.93208497
-0.00039930 0.00130774 0.00023461
0.00465762 -0.00987034 0.03140368
-21.48720677 0.72724269 5.85377595
-0.00027407 0.00063994 -0.00031409
0.02527734 -0.01690030 -0.01120521
-5.43499663 8.32816819 -26.65468741
0.00094345 0.00066181 -0.00036039
0.05743498 0.01038090 -0.03821568
-5.30338720 7.79961508 -23.67559275
0.00036254 0.00035871 -0.00021154
-0.00695605 0.00527320 -0.03470126
4.14952629 1.94888181 -2.16344880
-0.00005006 -0.00035602 0.00060811
-0.02240551 -0.02127852 0.00630416
1.61066303 0.30199637 -1.50173998
-0.00124977 -0.00039950 -0.00018192
0.00734659 -0.00992554 -0.00256700
14.79124558 7.66397086 5.87804151
-0.00069345 -0.00033867 0.00006280
-0.00099409 -0.00481851 0.01310004
15.08506239 9.83813070 3.97070171
-0.00103680 -0.00003089 -0.00048142
0.02225223 0.06123513 -0.00158040
1.67035562 -11.70276767 -13.97625255
0.00029633 0.00014945 -0.00009802
0.01242387 0.00622812 0.00343245
-13.58979988 14.71849647 22.84465980
-0.00005475 0.00013451 0.00013556
-0.00165550 0.00051176 0.00012586
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02408915
0.30877564
411.42805890
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1327636560
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3672020603 (a.u.)
total exchange computation time: 2.6631231308 s
-154.1512152561
-931.33492293
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1327636560
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3665736176 (a.u.)
total exchange computation time: 2.6614999771 s
-154.1579021624
Anderson extrapolation: theta=1.3391237643 (1.3391237643)
-931.33520776
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1327636560
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3656448494 (a.u.)
total exchange computation time: 2.6628220081 s
-154.1674155623
Anderson extrapolation: theta=0.0521006797 (0.0521006797)
-931.33537782
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1327636560
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3655264324 (a.u.)
total exchange computation time: 2.6614761353 s
-154.1684316637
Anderson extrapolation: theta=1.9149135150 (1.9149135150)
-931.33538446
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1327636560
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3652790545 (a.u.)
total exchange computation time: 2.6641619205 s
-154.1704861408
Anderson extrapolation: theta=0.2284442955 (0.2284442955)
-931.33539160
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1327636560
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3652187330 (a.u.)
total exchange computation time: 2.6625471115 s
-154.1709308105
Anderson extrapolation: theta=1.8537176734 (1.8537176734)
-931.33539308
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1327636560
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3651284527 (a.u.)
total exchange computation time: 2.6643970013 s
-154.1715349425
Anderson extrapolation: theta=0.2902857378 (0.2902857378)
-931.33539501
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1327636560
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3651242782 (a.u.)
total exchange computation time: 2.6610240936 s
-154.1714985304
Anderson extrapolation: theta=1.2729092742 (1.2729092742)
-931.33539550
-66.779732 -126.552455 -244.943471
-137.180023 458.405600 -806.966177
-203.959755 331.853145 -1051.909648
1121.712976
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1327636560
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3651354633 (a.u.)
total exchange computation time: 2.6633639336 s
678.86815788
-1083.88383071
89.75045093
-388.92376953
-174.78126901
78.38415735
551.60419304
0.00000000
-931.33539591
-9.12535645 -5.32153227 9.86467693
0.00028741 -0.00003703 0.00027194
-0.00321226 -0.01421679 -0.01402937
-13.75308922 5.01302884 8.88650966
0.00004990 -0.00011409 -0.00013876
-0.00093285 -0.00118010 -0.01279113
-15.89260532 1.50154454 2.98083908
-0.00014125 -0.00016169 0.00013700
0.00515607 -0.00012534 0.00332710
2.26217535 -19.69559032 13.46626366
-0.00028999 -0.00006407 0.00032265
0.02847040 -0.04603466 0.02250324
10.04397571 20.83218177 0.27264734
0.00032708 0.00002264 -0.00035263
-0.02525633 -0.04220666 -0.01414978
-11.29473959 12.84451302 15.19863859
-0.00004518 0.00010319 0.00009500
0.02569770 -0.04794591 0.01574774
-5.94341601 0.99897141 -12.82690700
0.00016362 -0.00008939 0.00013197
0.01715689 0.02406279 -0.01790447
-8.87895821 6.78933925 -6.86389319
-0.00002629 0.00014592 -0.00010447
-0.02399570 0.00178838 0.01574809
-7.26361427 -3.80773329 17.98704289
0.00033066 -0.00028242 -0.00020975
0.00165802 -0.02914634 -0.00105667
-23.61175809 -7.67932728 -23.76324777
-0.00035261 -0.00002833 -0.00041953
0.03002571 0.03154384 -0.00786407
8.67435731 13.35164301 6.71032420
0.00046458 0.00036505 0.00002178
-0.01697130 0.02372205 -0.06289647
22.95947347 28.71299381 -2.91934407
-0.00028250 -0.00016840 0.00024697
0.00552778 0.00692188 0.00965186
9.56928881 0.15445784 -14.74538095
0.00026127 0.00022716 -0.00030676
-0.04908638 0.00670173 -0.02221641
-9.24048051 -1.22725473 12.38604544
-0.00037893 -0.00039788 -0.00015193
-0.00936166 0.03841114 0.03998436
-2.20316517 -25.93408093 10.53879639
-0.00009647 -0.00002178 -0.00013391
0.03343403 0.01134659 -0.03349356
-15.34391196 -4.17078096 -7.41528288
-0.00021119 -0.00018883 -0.00042246
0.00535688 0.01183508 0.00520193
-19.39047975 -11.08167644 -18.28370277
0.00005550 -0.00007124 -0.00015012
-0.01627939 0.04201851 -0.00557157
20.95481641 5.51432028 4.73477317
-0.00026114 0.00052343 0.00016719
0.00104460 0.02875367 0.00898903
19.74710033 -11.47475189 -13.25284065
0.00057007 0.00012244 0.00004550
-0.04029472 -0.00080528 0.03243974
-3.31294996 -0.43184594 -6.52395285
-0.00019533 -0.00012631 0.00005550
-0.00556242 0.01241021 0.00114555
-3.59814433 -3.11245433 -17.60930384
0.00027463 0.00022971 -0.00002661
0.00093515 -0.00836916 -0.02119312
14.29813756 16.44972888 -21.36751032
0.00001246 0.00016344 -0.00011405
0.00016182 -0.01805779 -0.01220801
-14.55089710 17.81073599 -13.41890499
-0.00000742 0.00037794 -0.00015243
-0.01439608 -0.00543092 -0.04269721
1.31465377 15.01670506 7.73031720
-0.00034830 0.00005758 -0.00035551
0.02341021 -0.00292007 -0.01651379
-4.23461563 -9.19600280 3.83322921
0.00030519 -0.00000572 -0.00003959
-0.00348624 -0.00339632 0.01551689
2.08083565 -5.15267555 2.33530639
-0.00010322 -0.00014257 0.00014079
0.04221304 -0.01573356 -0.03790818
9.66125712 7.23026490 4.35730498
-0.00011768 0.00009269 -0.00019247
-0.00743634 0.00685977 -0.02759159
-9.34197552 -10.39434357 -2.50406592
-0.00019809 -0.00016222 0.00036334
-0.04540766 0.04105151 0.01391778
3.38569845 -15.61403595 -13.14051265
-0.00018920 0.00006273 -0.00002504
0.01097350 0.02457282 -0.03663125
3.86513466 -5.70215736 -2.99154711
-0.00000393 -0.00003577 0.00048871
0.00621690 -0.03510961 0.04396225
18.36394424 1.83007157 24.41718408
-0.00008216 -0.00015033 -0.00007470
0.01299419 0.00849315 0.00825647
-9.03021793 2.35656653 1.54873960
-0.00010756 -0.00032012 -0.00001269
0.02263502 0.00739915 -0.00591933
-5.78647706 12.36560670 -9.71318480
0.00039380 -0.00046579 0.00012442
0.00022944 -0.00961219 -0.01228680
1.63148084 13.35286695 -7.47916129
0.00004276 0.00013183 0.00000350
-0.00059795 0.00040929 -0.03138608
-11.31108986 10.04745492 -12.50351628
-0.00028586 -0.00000738 -0.00001182
0.02513441 -0.05078329 -0.01396659
7.83032256 3.79035417 14.66701400
-0.00004882 -0.00037600 0.00013163
0.02007699 -0.03795327 0.01987487
-15.25007651 10.07634716 -7.52506139
0.00021355 0.00050763 0.00064410
0.00473562 -0.00841055 -0.00084256
8.41588530 7.62145346 -3.05070471
-0.00052267 -0.00011422 -0.00016414
0.01416123 0.03386718 0.00115429
14.13424200 -20.65548040 -26.61650538
-0.00004957 0.00020260 0.00009732
-0.00420589 0.00227810 0.02239534
5.14210285 6.72791581 1.88075964
0.00004218 -0.00038283 0.00007860
-0.00238629 -0.02414800 -0.01665917
18.19216077 -5.83454095 -7.40682646
-0.00017785 0.00004315 0.00016798
-0.01579053 0.01403471 0.00581365
-1.97045478 -2.23770560 -1.95949683
0.00001319 -0.00022054 0.00028355
-0.00952845 0.02994818 0.00771719
2.83738100 -2.17651067 -12.02431224
0.00005057 -0.00011781 0.00004725
-0.02466883 0.02279378 0.01208322
19.81035436 9.03230159 -6.00841164
0.00021836 -0.00037645 0.00013543
0.02432075 -0.02399458 -0.01734361
-7.72868351 5.70333100 8.57397820
-0.00007817 -0.00017728 -0.00033583
0.02075521 -0.03657140 0.01374108
-1.69209321 -16.14890665 11.34566456
0.00011514 -0.00013811 -0.00002908
-0.00405115 0.01413629 -0.00168746
7.65168224 -0.19991417 -4.71714715
0.00006673 0.00059901 0.00003877
-0.04024077 0.02315773 -0.05766724
-1.08816344 -12.28666054 0.72643331
-0.00020261 -0.00023942 0.00011601
-0.00532611 -0.01529477 0.01305455
-20.02105998 -0.35645166 5.36233967
-0.00004003 0.00039775 0.00008712
-0.03525815 0.02781096 -0.02092827
-6.35481197 8.06059787 -25.21345408
0.00009184 0.00014819 0.00018656
-0.02643554 -0.02012866 0.08690613
2.30040445 1.92317198 -1.91763584
-0.00012686 0.00000523 -0.00014673
0.02197173 0.01277541 -0.00324065
14.57081110 8.20773492 4.15910236
-0.00013089 0.00003710 0.00000294
-0.01845713 -0.05525664 -0.01741368
-8.16192817 -6.88004311 10.03136383
-0.00077945 0.00061072 -0.00094551
-0.00343373 0.00494938 -0.00096361
-10.42567158 -5.63159642 8.58486213
-0.00024983 -0.00034742 0.00037086
0.01102546 -0.00152882 0.00890945
-13.25173479 5.44796893 7.13435689
-0.00025394 -0.00092947 -0.00047218
-0.00028933 0.00481509 0.01224054
-13.27926719 3.24514037 9.03049868
0.00082673 0.00074915 0.00094243
-0.00334478 0.00068488 -0.00224830
-14.51668719 1.54741818 4.20699807
-0.00056227 0.00017777 -0.00045991
-0.00687547 0.00234532 0.00008999
-17.36434190 0.83706651 3.91848748
0.00108517 0.00061532 0.00007235
0.00084432 0.00232803 -0.00421102
2.28445917 -21.47568734 12.67523528
-0.00047746 -0.00053004 -0.00103641
0.00800726 0.04372789 0.01848599
3.57318765 -19.77736635 14.91521561
0.00045495 0.00009786 -0.00028292
-0.03871847 -0.00130448 -0.04441289
9.16538218 19.14782588 -0.04535962
0.00054796 0.00001043 -0.00004863
0.02924416 0.01817432 0.00424200
8.73133043 21.53696388 1.31398760
-0.00006141 -0.00073420 -0.00080151
-0.00777806 0.01646875 0.00714155
-10.45138915 12.08817493 16.78346424
-0.00046127 0.00036543 -0.00061860
-0.01678367 0.00626767 -0.02123052
-11.15554066 14.49994279 15.73852888
0.00026335 0.00004684 0.00015698
-0.00341912 0.05209466 0.00332617
-6.08831612 0.15653327 -14.40745077
-0.00033003 -0.00011536 0.00023030
0.00287297 -0.00943095 -0.01225636
-7.31993474 0.41686373 -11.83178255
-0.00107156 -0.00037210 -0.00066637
-0.01771232 -0.01715457 0.02736587
-7.73117889 8.17692362 -7.11634723
0.00045393 -0.00050803 -0.00129157
-0.00103468 -0.00168153 -0.00245082
-9.77688885 7.23487925 -5.24871468
0.00021777 0.00128290 -0.00029017
0.01605723 -0.00919016 -0.02805530
-7.57668953 -2.06268034 17.92495358
0.00006200 0.00093680 -0.00004123
-0.00375233 0.03058030 0.00162287
-7.16725242 -4.30949616 19.75914966
-0.00026948 -0.00063281 0.00051774
-0.00463826 -0.00474634 -0.00174078
-24.32581122 -5.98199629 -23.79993386
0.00082670 0.00006393 -0.00073617
-0.01666390 -0.00580567 0.00398326
-21.87208979 -6.97386294 -24.02637323
0.00007625 -0.00084130 -0.00067653
-0.01208883 -0.02534773 0.00375956
8.66143628 13.21000219 4.76569600
-0.00007187 0.00071445 0.00045250
0.00140678 0.00619796 0.04533931
9.73956489 12.05748240 7.35928631
-0.00022513 0.00109811 0.00056698
0.00975766 -0.02107179 0.01476389
24.09017224 27.28162468 -2.59722175
-0.00091598 -0.00039374 0.00001075
-0.02159305 0.00535628 0.00033611
22.38566440 29.41062646 -1.28415387
-0.00117589 -0.00085324 0.00075767
0.00554298 -0.00147484 -0.01535194
11.10851473 -0.32550789 -14.09001839
0.00025389 0.00115372 0.00089756
0.04111556 -0.01342495 0.01928411
8.47172512 -1.32895870 -14.43779736
0.00080532 0.00022322 0.00089324
0.01105186 0.00435026 0.00258340
-9.55373455 -1.25595505 14.23592710
0.00052660 0.00086126 0.00003465
0.00469448 -0.00027552 -0.02955471
-9.20852466 -2.90585489 11.76319593
0.00082482 0.00020338 -0.00113013
-0.00036013 -0.03042134 -0.00638991
-3.14658464 -26.55255289 11.93030915
0.00002440 -0.00025534 -0.00005115
-0.02227723 -0.00899941 0.01684222
-3.23148473 -25.46650103 9.11295065
0.00049029 0.00055313 0.00017465
-0.00566159 -0.00117540 0.00500384
-14.99414096 -2.41913683 -6.77855565
-0.00013856 -0.00007525 -0.00039453
0.00186967 -0.01822622 0.00397451
-16.14521331 -3.86171376 -8.99321868
-0.00037005 -0.00030451 -0.00014910
-0.01056386 -0.00005278 -0.00960668
-19.23604432 -9.29122096 -19.02854762
-0.00039966 0.00013460 0.00062125
0.00722366 -0.04885652 0.01414870
-18.26529105 -12.35951190 -18.93263303
0.00004660 -0.00061817 0.00015661
0.01169586 0.00516848 -0.01097477
22.46897860 6.26738787 4.06258263
0.00006425 -0.00062261 0.00024798
0.01035106 -0.01160791 -0.00660402
20.23568752 7.09709136 5.39496041
-0.00109123 -0.00035980 -0.00002389
-0.00917150 -0.01954289 -0.00224898
18.46938700 -11.13649087 -11.74427342
-0.00003791 0.00004026 -0.00036982
0.02859432 -0.00076144 -0.04156157
19.12421245 -10.49049789 -14.66456828
0.00042983 0.00073712 0.00074696
-0.00535054 0.00519134 0.00336990
-1.78440385 0.50826905 -6.52099814
0.00021330 -0.00035356 0.00042726
0.02651544 0.00320741 -0.00708651
-4.43712044 0.97106295 -6.18587930
0.00052456 0.00044448 0.00015704
-0.01296703 -0.00991184 0.00226150
-3.33950671 -4.34855801 -18.99013152
-0.00052095 0.00032880 -0.00088002
-0.00123619 0.01744838 0.02146241
-3.65781211 -1.48567083 -18.49577962
0.00021009 -0.00020522 0.00013504
0.00254806 -0.00042584 0.00198811
14.25854955 18.03166137 -20.53995513
0.00118715 0.00024734 -0.00068818
-0.00640226 0.01384069 0.01296209
12.54041702 15.78464464 -21.38100805
0.00070757 -0.00031046 0.00062932
0.01126610 0.01022235 0.00166438
-14.02327835 17.19827977 -11.86175218
0.00005185 0.00041908 0.00042956
0.01340402 -0.00681665 0.04250838
-14.32764359 16.22862814 -14.45584408
0.00065424 -0.00042507 -0.00096686
-0.00334659 0.00676488 0.00182585
1.88095250 15.98533067 6.29630204
0.00004561 -0.00015538 -0.00028052
0.01411721 -0.01117278 -0.01073854
0.00253362 16.12491929 8.15014709
0.00063219 -0.00078090 -0.00083995
-0.03691512 0.01072981 0.02746461
-4.51546879 -7.85490284 2.64092323
-0.00016234 0.00066769 -0.00010499
-0.00494468 -0.00470560 -0.00421344
-3.23644728 -10.47235365 2.99430420
0.00042608 -0.00088123 -0.00082618
0.00268275 0.00006428 -0.00973176
1.54305610 -3.69710376 3.11576579
0.00031627 0.00129233 0.00017039
-0.03021631 0.04352083 0.03785631
3.30263952 -4.26100438 1.21454193
0.00089795 0.00047017 -0.00052152
-0.01081425 -0.02965505 0.00536816
8.12073530 7.46207234 3.25492154
0.00106408 -0.00092929 -0.00045412
0.02700809 -0.00532655 0.01398240
11.22918246 7.91951299 3.53949788
-0.00022704 0.00003059 0.00003354
-0.01950890 -0.01060934 0.01582110
-8.25174625 -11.72303790 -2.13431831
-0.00109836 -0.00123872 -0.00000036
0.03488587 -0.03783690 0.00202140
-10.20497803 -9.92124145 -0.91651619
0.00044106 0.00023032 0.00011447
0.00298248 0.00026366 -0.02090634
4.97844895 -16.47158857 -13.54116263
-0.00118559 -0.00121029 -0.00027169
-0.00425752 -0.00043913 0.01979471
2.43398967 -16.23904107 -11.78250284
0.00090290 0.00009882 -0.00115607
-0.00514206 -0.02320406 0.02054668
4.37909755 -4.74691086 -4.39443702
0.00038024 -0.00008278 0.00007733
0.02196291 0.01277523 -0.02291079
5.38005110 -6.59913090 -2.20509671
0.00066486 0.00053460 -0.00006398
-0.02498498 0.02147568 -0.02055519
16.61388608 2.36473867 24.60267602
-0.00038918 -0.00107013 -0.00014168
-0.00276041 -0.00053305 -0.00667347
19.39240228 3.27226479 25.07381500
0.00019838 -0.00000518 -0.00105500
-0.01261174 -0.01481347 -0.00544390
-9.65486077 0.65168619 1.32463432
-0.00083605 -0.00007892 0.00020534
-0.01429533 0.00349030 0.00768266
-9.99667549 3.38483050 2.69909016
-0.00047574 -0.00017996 -0.00014082
-0.00729792 -0.00573734 -0.00186467
-5.11372949 13.74184113 -8.68032715
-0.00029101 0.00012916 -0.00028227
0.00421788 0.00276829 0.00651218
-7.54019882 12.12521578 -9.32017785
-0.00031632 -0.00028009 -0.00062255
-0.00671807 0.00168206 0.00305862
1.34028275 11.69673587 -6.81674754
-0.00052725 0.00005335 0.00039722
-0.00506796 0.00272521 0.01562432
2.43944755 14.44683955 -6.30038369
0.00134382 -0.00046640 0.00081348
0.00548637 -0.00491872 0.01738642
-10.88263157 8.18576075 -12.85849366
-0.00042493 -0.00041444 0.00046065
-0.01177963 0.04258054 0.00074868
-11.66259131 9.93267213 -10.74674112
-0.00011630 -0.00018317 0.00041996
-0.00930922 0.00640910 0.01611514
7.12185085 5.19103232 13.86024030
-0.00017958 -0.00029417 0.00087671
-0.00071722 0.02907130 -0.01837404
9.65698597 3.67291962 14.48473579
-0.00020179 0.00051068 -0.00065280
-0.01267011 0.01604031 -0.00853575
-14.18063069 11.58514846 -7.64082626
0.00035296 0.00061055 -0.00086089
0.00294966 -0.00398900 0.00635134
-16.89581071 10.59145789 -8.01919211
0.00032055 -0.00052080 -0.00012549
-0.01367941 0.00619084 -0.00364122
9.30645665 9.25871422 -2.80697200
0.00063488 -0.00003342 -0.00005728
-0.00300704 -0.02175724 0.01405444
7.59279321 8.23488056 -4.56928338
0.00000315 -0.00064295 0.00084236
-0.01166521 -0.00961321 -0.01127939
14.37303721 -19.07904388 -27.50734305
-0.00067287 -0.00041284 0.00031185
-0.00440240 0.00790676 0.00114243
13.74323428 -20.17946542 -24.83842743
0.00071904 0.00054965 0.00067125
0.00554228 -0.00084231 -0.02206021
5.20788284 4.82811679 2.02515416
0.00089043 0.00037195 0.00060506
0.00312006 0.02268173 0.00605293
5.42646044 6.99138643 0.06520210
0.00009581 0.00045552 0.00119089
0.00227670 0.00365848 0.00927087
19.78175944 -5.16056242 -6.88227648
0.00009983 0.00127357 0.00060835
0.01021157 -0.00742877 0.00422972
16.95863050 -4.88315191 -6.31641540
-0.00053271 0.00041176 0.00033763
0.00523958 -0.01026624 -0.00480484
-2.56314067 -0.66004699 -1.14247660
-0.00003808 0.00042035 0.00052358
0.00672650 -0.01925500 0.00613144
-2.62446057 -1.81850481 -3.64601485
-0.00134107 -0.00049921 -0.00037961
0.00234037 -0.00796975 -0.00430095
3.85507712 -3.52917710 -12.54828058
0.00044525 -0.00058890 -0.00035136
0.02291578 -0.02520453 -0.00803456
1.13961160 -2.90572304 -11.81559601
-0.00011091 0.00017238 0.00005760
0.00006087 0.00341644 0.00084467
19.91344779 8.74680963 -7.86196388
0.00009900 0.00011153 -0.00002228
0.00004004 -0.00156019 0.02641043
21.10654859 7.81641255 -5.21536326
0.00037897 -0.00081369 0.00033326
-0.02341417 0.02102276 -0.01208560
-7.30458422 3.75377770 8.58587443
-0.00056316 0.00068181 -0.00068855
-0.00441637 0.04448624 0.00183483
-6.72790198 6.26613103 10.02226075
0.00027972 -0.00008721 -0.00038554
-0.01136532 -0.00197258 -0.00901313
-1.61683103 -17.92997116 11.58682064
0.00100441 0.00002784 0.00010210
0.00022967 -0.01203221 0.00166582
-2.71679124 -15.83985247 9.86479781
0.00028381 -0.00018837 -0.00049115
0.00626379 -0.00150484 0.00169990
8.59065548 -0.29459129 -3.27951023
0.00070568 0.00006376 0.00002692
0.03988196 -0.00212550 0.05590521
7.77154612 1.51489766 -5.50657381
0.00023075 0.00029561 -0.00071625
-0.00218815 -0.01565304 0.01015416
0.26933405 -11.96043186 1.94809841
0.00016693 0.00028759 0.00005500
-0.00043729 0.00581307 -0.00632363
-1.43246153 -10.70672404 -0.13015403
-0.00050381 -0.00010544 0.00002245
0.00544743 0.01042599 -0.00998555
-19.28252484 -0.76808975 6.93656640
-0.00037849 0.00126613 0.00036548
0.00552490 -0.01049506 0.03265923
-21.49054321 0.73632391 5.84872127
-0.00016961 0.00056953 -0.00036058
0.02585434 -0.01756506 -0.01155528
-5.41908483 8.33841343 -26.66126424
0.00116573 0.00070141 -0.00049843
0.05136807 0.00900500 -0.02935599
-5.29816233 7.80515731 -23.67982926
0.00033519 0.00037983 -0.00034964
-0.00642934 0.00506547 -0.03289961
4.14808878 1.94288946 -2.15413403
-0.00014077 -0.00044307 0.00063336
-0.02199448 -0.02133192 0.00605602
1.59214162 0.29569970 -1.50454739
-0.00121457 -0.00042886 -0.00019542
0.00988460 -0.00444592 -0.00404090
14.78081340 7.65874308 5.87938497
-0.00069712 -0.00035615 0.00011436
-0.00080202 -0.00373447 0.01213926
15.07019222 9.83954382 3.96343204
-0.00094501 0.00022261 -0.00048708
0.02268314 0.06285272 -0.00119385
1.67483393 -11.70050926 -13.97771358
0.00030077 0.00015168 -0.00009679
0.01238239 0.00624335 0.00340313
-13.59062401 14.72051502 22.84669337
-0.00005512 0.00013464 0.00013560
-0.00155045 0.00060741 0.00028541
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02394496
0.31145095
414.99277266
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1327636560
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3630341951 (a.u.)
total exchange computation time: 2.6650099754 s
-154.1360593050
-931.33914045
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1327636560
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3624577616 (a.u.)
total exchange computation time: 2.6614840031 s
-154.1422103444
Anderson extrapolation: theta=1.3416033748 (1.3416033748)
-931.33941469
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1327636560
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3615849749 (a.u.)
total exchange computation time: 2.6627969742 s
-154.1510929524
Anderson extrapolation: theta=0.0526132158 (0.0526132158)
-931.33957890
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1327636560
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3614578998 (a.u.)
total exchange computation time: 2.6636600494 s
-154.1521421069
Anderson extrapolation: theta=1.9262986470 (1.9262986470)
-931.33958536
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1327636560
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3611846524 (a.u.)
total exchange computation time: 2.6628649235 s
-154.1543134589
Anderson extrapolation: theta=0.2301362866 (0.2301362866)
-931.33959231
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1327636560
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3611117824 (a.u.)
total exchange computation time: 2.6622109413 s
-154.1548205990
Anderson extrapolation: theta=1.8391001339 (1.8391001339)
-931.33959372
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1327636560
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3609962565 (a.u.)
total exchange computation time: 2.6678929329 s
-154.1555490341
Anderson extrapolation: theta=0.2879594935 (0.2879594935)
-931.33959548
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1327636560
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3609830456 (a.u.)
total exchange computation time: 2.6622450352 s
-154.1555578291
Anderson extrapolation: theta=1.2591192053 (1.2591192053)
-931.33959590
-66.744639 -126.538361 -244.972099
-137.159224 458.408105 -807.006427
-203.903863 331.869744 -1051.978526
1121.772317
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1327636560
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3609823801 (a.u.)
total exchange computation time: 2.7877731323 s
678.80255524
-1083.73746682
89.75241006
-389.02564506
-174.77046725
78.30348665
551.60419304
0.00000000
-931.33959621
-9.12105767 -5.32214259 9.86870192
0.00028399 -0.00004279 0.00026385
-0.01008044 -0.00819088 -0.01741966
-13.75234436 5.01131301 8.88437885
0.00004922 -0.00011376 -0.00014547
-0.00169760 0.00244997 -0.01329238
-15.89470417 1.49911864 2.98290696
-0.00013786 -0.00016102 0.00013697
0.00800490 0.00274439 -0.00346889
2.25793534 -19.69672890 13.47119019
-0.00027544 -0.00008849 0.00033344
0.02810061 -0.04894290 0.01947797
10.04878446 20.83235855 0.26730333
0.00031435 0.00000094 -0.00036004
-0.02425007 -0.04216398 -0.01467085
-11.29531818 12.84587586 15.20012439
-0.00003232 0.00007931 0.00010238
0.02430149 -0.04488417 0.01292615
-5.94089547 0.99772334 -12.82499647
0.00017119 -0.00007772 0.00012355
0.01225728 0.02132627 -0.01486881
-8.87944507 6.79153489 -6.86539943
-0.00003864 0.00014682 -0.00009652
-0.02404410 0.00173533 0.01516325
-7.25864800 -3.81208194 17.98389260
0.00033099 -0.00029483 -0.00020916
-0.00037197 -0.01911833 0.00335134
-23.61693137 -7.67963058 -23.76957105
-0.00033665 -0.00001278 -0.00042364
0.03200587 0.02892255 -0.00813115
8.68126057 13.35721020 6.71040835
0.00045485 0.00037864 -0.00001032
-0.02087349 0.02913302 -0.06195179
22.95525726 28.71049448 -2.91560227
-0.00028030 -0.00016419 0.00025248
0.00301807 0.00945632 0.01178024
9.57301859 0.15789106 -14.75006799
0.00023702 0.00023043 -0.00031790
-0.04523862 0.00604071 -0.02113400
-9.24620058 -1.23307476 12.38392065
-0.00038370 -0.00037731 -0.00013165
-0.00917540 0.04158229 0.03890909
-2.20448326 -25.93436386 10.53665860
-0.00007884 -0.00001627 -0.00015016
0.03510540 0.01006946 -0.02971300
-15.34705917 -4.17356780 -7.42159968
-0.00020822 -0.00018264 -0.00041933
0.00621728 0.01226018 0.00695536
-19.38971009 -11.08258303 -18.28597607
0.00004722 -0.00005037 -0.00015283
-0.01588599 0.03914529 -0.00496198
20.95090326 5.52228261 4.73731562
-0.00026075 0.00053687 0.00017158
0.00049358 0.02350518 0.00809867
19.75549591 -11.47291847 -13.25203300
0.00054913 0.00012198 0.00006236
-0.04110650 -0.00095165 0.03310756
-3.31590141 -0.43369275 -6.52311588
-0.00019767 -0.00011954 0.00005615
-0.00352007 0.01392389 0.00138787
-3.59402132 -3.10904089 -17.60978472
0.00027513 0.00022427 -0.00003778
0.00102636 -0.01278530 -0.02226367
14.29832504 16.45211077 -21.36926819
0.00001351 0.00015399 -0.00012058
0.00391582 -0.01868699 -0.01319134
-14.55106395 17.81638410 -13.42135621
-0.00001420 0.00037355 -0.00017390
-0.01194857 -0.01163196 -0.04078376
1.30951962 15.01755753 7.72492085
-0.00033388 0.00005407 -0.00036474
0.03266457 -0.01072529 -0.01937448
-4.23005118 -9.19610171 3.83269527
0.00030415 -0.00000789 -0.00003315
-0.00056771 -0.00504225 0.00952476
2.07945019 -5.15487484 2.33727200
-0.00008127 -0.00014719 0.00012160
0.04312340 -0.00222086 -0.03669359
9.65946330 7.23168170 4.35431152
-0.00012069 0.00009583 -0.00020580
-0.00427039 0.00533818 -0.02423851
-9.34512206 -10.39661853 -2.49856210
-0.00022064 -0.00014177 0.00037001
-0.04229298 0.03848753 0.01199645
3.38290285 -15.61300025 -13.14102959
-0.00018180 0.00007643 -0.00004626
0.01778399 0.02872069 -0.04589456
3.86509976 -5.70282936 -2.98404687
-0.00000013 -0.00005310 0.00051021
0.00852803 -0.03226761 0.03964165
18.36276200 1.82784932 24.41609542
-0.00007548 -0.00014624 -0.00007070
0.01295426 0.00742608 0.00730323
-9.03174397 2.35179322 1.54852636
-0.00009625 -0.00031616 -0.00001540
0.02134085 0.00802491 -0.00460723
-5.78056912 12.35858279 -9.71136590
0.00039285 -0.00047096 0.00011834
-0.00394062 -0.01051126 -0.01134612
1.63211993 13.35484591 -7.47922979
0.00004313 0.00013242 -0.00001113
0.00203259 0.00188611 -0.02551504
-11.31528077 10.04714830 -12.50374750
-0.00027310 -0.00003380 -0.00001797
0.02449183 -0.05194439 -0.00994447
7.82966775 3.78456774 14.66906507
-0.00003847 -0.00039554 0.00014170
0.02015959 -0.03801817 0.01928723
-15.24685493 10.08392912 -7.51540317
0.00021653 0.00050355 0.00064359
0.00684129 -0.00746126 -0.00112649
8.40809983 7.61987080 -3.05316231
-0.00051376 -0.00009685 -0.00016137
0.02050469 0.03368454 0.00959726
14.13348217 -20.65243268 -26.61495914
-0.00005200 0.00020277 0.00011024
-0.00521109 -0.00160904 0.02782228
5.14272641 6.72208027 1.88187441
0.00004072 -0.00039431 0.00007183
-0.00330733 -0.02050470 -0.00966241
18.18943214 -5.83383964 -7.40428441
-0.00018475 0.00005136 0.00017176
-0.01106715 0.01792119 0.00890187
-1.97029375 -2.24089815 -1.95521375
0.00000741 -0.00020403 0.00028647
-0.01291549 0.03425879 0.00361977
2.83804437 -2.17818996 -12.02355690
0.00003889 -0.00010732 0.00005299
-0.02076096 0.01802993 0.01025091
19.81372357 9.02656227 -6.00644709
0.00023104 -0.00038902 0.00012668
0.02498637 -0.02489324 -0.01666658
-7.72977599 5.70053074 8.56899370
-0.00006761 -0.00019503 -0.00032858
0.02029720 -0.03245364 0.01447018
-1.69038172 -16.15092383 11.34522192
0.00011276 -0.00013047 -0.00003033
-0.00522211 0.01558832 -0.00319040
7.65252793 -0.19083966 -4.71678806
0.00004669 0.00061048 0.00001030
-0.03769384 0.02143760 -0.05305156
-1.09122315 -12.29031089 0.72822387
-0.00020509 -0.00024669 0.00012287
-0.00432807 -0.01295514 0.01360194
-20.02179650 -0.35037816 5.36356571
-0.00005827 0.00041211 0.00007641
-0.03564319 0.02803138 -0.02071916
-6.35353631 8.06274305 -25.21032044
0.00007978 0.00013840 0.00022786
-0.02048316 -0.01793426 0.07367454
2.29858634 1.92329977 -1.91984936
-0.00011650 0.00001040 -0.00014797
0.01831148 0.00733270 -0.00157472
14.56877651 8.20807821 4.15907929
-0.00014025 0.00000881 -0.00000587
-0.01792958 -0.05472857 -0.01683969
-8.17372512 -6.87073064 10.01715165
-0.00078197 0.00061561 -0.00094623
0.00219770 -0.00255718 0.00061143
-10.42908118 -5.63685451 8.59069803
-0.00020236 -0.00035062 0.00041033
0.01221021 -0.00003805 0.01041107
-13.25555271 5.43417436 7.12764933
-0.00025519 -0.00090940 -0.00042133
-0.00032274 0.00501067 0.01265031
-13.26696870 3.25639863 9.04456624
0.00081469 0.00074432 0.00093371
-0.00255170 -0.00305105 -0.00202041
-14.52533193 1.55015657 4.20010214
-0.00058157 0.00018747 -0.00045320
-0.00257356 0.00240354 0.00319493
-17.34803853 0.84636770 3.91944370
0.00107486 0.00061867 0.00006242
-0.00588761 -0.00068884 -0.00064908
2.27754270 -21.48229802 12.66025558
-0.00044366 -0.00034438 -0.00095568
0.00853414 0.04715662 0.02103253
3.57882547 -19.77593847 14.90961086
0.00029662 0.00009108 -0.00046348
-0.03878630 -0.00201146 -0.04397022
9.17449769 19.14853918 -0.04595915
0.00066714 0.00008162 -0.00003267
0.02909544 0.01667469 0.00357346
8.73017090 21.52645550 1.30218383
-0.00009528 -0.00066422 -0.00076967
-0.00880098 0.01778789 0.00844250
-10.45882247 12.09384849 16.77353460
-0.00052632 0.00038677 -0.00069897
-0.01506089 0.00417754 -0.01810788
-11.15169518 14.50224178 15.74098550
0.00024924 0.00025808 0.00016944
-0.00348671 0.05130938 0.00277283
-6.09317859 0.15451390 -14.40437179
-0.00031685 -0.00015340 0.00017882
0.00358092 -0.00919007 -0.01294498
-7.33655083 0.41075651 -11.84093952
-0.00113496 -0.00043728 -0.00055887
-0.01332344 -0.01474890 0.02525612
-7.72440170 8.16925167 -7.13579586
0.00044997 -0.00051444 -0.00130084
-0.00090427 -0.00145720 -0.00208758
-9.77313027 7.25384114 -5.25392698
0.00028346 0.00124489 -0.00040420
0.01609646 -0.00941598 -0.02776013
-7.57587458 -2.04769129 17.92438490
0.00005067 0.00103861 -0.00003338
-0.00179145 0.01925722 0.00222048
-7.17143675 -4.31913368 19.76686248
-0.00028880 -0.00064925 0.00050076
-0.00481855 -0.00330130 -0.00657146
-24.31392135 -5.98121520 -23.81085435
0.00075565 0.00004548 -0.00071949
-0.01811317 -0.00322909 0.00418036
-21.87131655 -6.98725924 -24.03640602
0.00002586 -0.00094517 -0.00066074
-0.01257337 -0.02549622 0.00396986
8.66040136 13.22090880 4.77387279
-0.00006492 0.00073793 0.00063228
0.00199527 0.00529856 0.04266468
9.73648699 12.07330840 7.36824346
-0.00017833 0.00100317 0.00063026
0.01315058 -0.02540287 0.01620907
24.07577093 27.27588273 -2.59705021
-0.00100108 -0.00037561 0.00001282
-0.02006623 0.00351988 0.00067888
22.36819594 29.39778268 -1.27325924
-0.00115107 -0.00086075 0.00068965
0.00660715 -0.00220103 -0.01794403
11.11358292 -0.30861345 -14.07596402
0.00041613 0.00110167 0.00097446
0.03830243 -0.01205561 0.01835752
8.48414356 -1.32547710 -14.42431961
0.00084833 0.00023918 0.00090313
0.01000160 0.00346127 0.00226011
-9.54569177 -1.24304461 14.23554125
0.00054535 0.00085654 -0.00008661
0.00448454 -0.00203511 -0.02980491
-9.19616339 -2.90373636 11.74604814
0.00082323 0.00007626 -0.00115343
-0.00041862 -0.03180346 -0.00501211
-3.14690133 -26.55665874 11.93005805
-0.00006561 -0.00029112 0.00001553
-0.02178320 -0.00851367 0.01579791
-3.22430393 -25.45824016 9.11572379
0.00046279 0.00054990 0.00019019
-0.00779608 -0.00040574 0.00260022
-14.99616211 -2.42082415 -6.78435178
-0.00013116 -0.00015039 -0.00037863
0.00175199 -0.01855437 0.00380602
-16.15108773 -3.86628301 -8.99574957
-0.00041477 -0.00030402 -0.00019067
-0.01132715 0.00029273 -0.01073970
-19.24181783 -9.29069910 -19.01879526
-0.00036854 -0.00006327 0.00067659
0.00800667 -0.04800220 0.01294002
-18.26423371 -12.36862609 -18.93062020
0.00009216 -0.00059299 0.00011270
0.01060681 0.00715595 -0.01051985
22.47025956 6.25769305 4.06609989
0.00010739 -0.00066623 0.00022147
0.01076307 -0.00974523 -0.00636832
20.21903799 7.09109551 5.39453308
-0.00112849 -0.00043261 -0.00003213
-0.00906784 -0.01609885 -0.00178395
18.46969452 -11.13591031 -11.75109435
0.00008005 0.00003657 -0.00053752
0.02914708 -0.00104247 -0.04052921
19.13049590 -10.47928195 -14.65326067
0.00040830 0.00075900 0.00075736
-0.00518827 0.00551789 0.00172074
-1.78039187 0.50306388 -6.51480646
0.00031817 -0.00034352 0.00039828
0.02482239 0.00171133 -0.00709818
-4.42964940 0.97742640 -6.18345442
0.00047094 0.00040394 0.00016609
-0.01327908 -0.00993148 0.00216789
-3.34735889 -4.34309140 -19.00267418
-0.00052590 0.00040264 -0.00078786
-0.00118596 0.01870103 0.02364990
-3.65458271 -1.48876224 -18.49369317
0.00022031 -0.00020080 0.00014086
0.00245780 0.00258982 0.00086386
14.27616057 18.03579557 -20.54988056
0.00115959 0.00030607 -0.00063366
-0.00708652 0.01490703 0.01372124
12.55137575 15.78030105 -21.37151730
0.00074732 -0.00026916 0.00063652
0.00819245 0.00999274 0.00186169
-14.02208979 17.20435701 -11.85400627
0.00010281 0.00039454 0.00059158
0.01154079 -0.00519222 0.03680353
-14.31793247 16.22245942 -14.47029108
0.00063950 -0.00038851 -0.00095109
-0.00387010 0.01113121 0.00589504
1.88206926 15.98265761 6.29176522
0.00010344 -0.00020058 -0.00032498
0.01419223 -0.01095340 -0.01102399
0.01088525 16.11353457 8.13838949
0.00046245 -0.00072139 -0.00072162
-0.04617544 0.01840294 0.03045610
-4.51805535 -7.84503176 2.63921928
-0.00018028 0.00064029 -0.00011641
-0.00384133 -0.00870696 -0.00137627
-3.22997387 -10.48557006 2.98161322
0.00042848 -0.00086966 -0.00085930
-0.00150986 0.00559837 -0.00647971
1.54687429 -3.67638513 3.11948167
0.00020127 0.00144976 0.00031368
-0.02607899 0.03354153 0.03228323
3.31577742 -4.25486055 1.20688365
0.00084334 0.00034164 -0.00049027
-0.01591855 -0.03326017 0.00992918
8.13752408 7.44796978 3.24853821
0.00116497 -0.00094856 -0.00040238
0.02237709 -0.00410536 0.01134206
11.22517909 7.91964670 3.54048583
-0.00030357 -0.00001194 0.00009692
-0.01795423 -0.01020931 0.01520083
-8.26715271 -11.74277816 -2.13426181
-0.00095920 -0.00138929 0.00000682
0.03323692 -0.03586935 0.00149329
-10.19827078 -9.91777860 -0.91543973
0.00045051 0.00023237 0.00003417
0.00164647 0.00074091 -0.01840069
4.96053466 -16.48975633 -13.54463138
-0.00120067 -0.00121126 -0.00019289
-0.00312552 -0.00003867 0.01877874
2.44737561 -16.23826980 -11.79921433
0.00086581 -0.00000514 -0.00105107
-0.01301516 -0.02768716 0.03085404
4.38547421 -4.74776103 -4.39397917
0.00046594 -0.00003475 -0.00000978
0.01998740 0.01073628 -0.01972924
5.38925836 -6.59045379 -2.20668631
0.00056213 0.00062064 -0.00014602
-0.02530062 0.02064226 -0.01960481
16.60796380 2.34867036 24.60034633
-0.00039921 -0.00107072 -0.00016835
-0.00215030 0.00024691 -0.00637997
19.39499158 3.27173311 25.05782326
0.00014560 -0.00006447 -0.00107577
-0.01322444 -0.01420684 -0.00472707
-9.66783960 0.65060927 1.32794987
-0.00089365 -0.00006516 0.00023590
-0.01389744 0.00324904 0.00727509
-10.00403529 3.38195526 2.69692070
-0.00050315 -0.00020424 -0.00015043
-0.00611860 -0.00614727 -0.00284051
-5.11796540 13.74386344 -8.68436171
-0.00027343 0.00014054 -0.00025544
0.00438627 0.00279992 0.00662260
-7.54514948 12.12106602 -9.32942233
-0.00033548 -0.00027177 -0.00061195
-0.00266032 0.00238725 0.00212805
1.33221873 11.69761967 -6.81031043
-0.00054730 0.00006849 0.00045830
-0.00474932 0.00468255 0.01427220
2.45977295 14.43969286 -6.28764879
0.00136020 -0.00049343 0.00087527
0.00253289 -0.00831463 0.01286069
-10.88936652 8.18084890 -12.85156091
-0.00047345 -0.00023883 0.00046268
-0.01196883 0.04338123 0.00024520
-11.66462101 9.93012095 -10.73994790
-0.00015290 -0.00015602 0.00047863
-0.00860937 0.00688180 0.01260522
7.11913515 5.18751062 13.87282797
-0.00018505 -0.00017296 0.00080107
-0.00195771 0.03026206 -0.01865399
9.65357087 3.68107128 14.47468227
-0.00025105 0.00057495 -0.00068673
-0.01144298 0.01542200 -0.00807412
-14.17524586 11.59418446 -7.65354500
0.00036195 0.00059114 -0.00083397
0.00145134 -0.00551332 0.00682831
-16.89142160 10.58383563 -8.02118605
0.00026262 -0.00049458 -0.00014126
-0.01468111 0.00664071 -0.00407842
9.31588766 9.25754616 -2.80740059
0.00061801 -0.00012843 -0.00000178
-0.00524814 -0.02474783 0.01311671
7.59248302 8.22494179 -4.55699366
-0.00005263 -0.00067552 0.00078159
-0.01564170 -0.00633332 -0.01846489
14.36280926 -19.08499414 -27.50263024
-0.00068909 -0.00037103 0.00031051
-0.00353591 0.01255805 -0.00179971
13.75418970 -20.17124653 -24.82903469
0.00074207 0.00054426 0.00057629
0.00573142 -0.00179524 -0.02442418
5.22133490 4.83439107 2.03441557
0.00090247 0.00045665 0.00062844
0.00277373 0.01878016 0.00538993
5.42796734 6.99833136 0.08334952
0.00010666 0.00047075 0.00121508
0.00303449 0.00379553 0.00257151
19.78356985 -5.14168646 -6.87302168
0.00012951 0.00123768 0.00062098
0.00431597 -0.01014249 0.00195423
16.95080044 -4.87729007 -6.31149819
-0.00050877 0.00036699 0.00031543
0.00647706 -0.01165207 -0.00606083
-2.56350582 -0.65433183 -1.13443499
-0.00000843 0.00033504 0.00054425
0.00778751 -0.02250289 0.00398799
-2.64450488 -1.82623713 -3.65184076
-0.00132670 -0.00053326 -0.00038473
0.00469299 -0.00869746 0.00179422
3.86245808 -3.53878296 -12.55379717
0.00053011 -0.00068090 -0.00038022
0.01862299 -0.01982986 -0.00609476
1.13794975 -2.90303259 -11.81470607
-0.00011021 0.00018542 0.00006070
0.00028357 0.00296261 0.00067217
19.91493405 8.74843474 -7.86148872
0.00009945 0.00010470 0.00008599
0.00018045 -0.00178263 0.02658560
21.11151572 7.80485137 -5.21073477
0.00028149 -0.00072582 0.00028247
-0.02430619 0.02198923 -0.01277378
-7.31316698 3.76536810 8.57560244
-0.00057939 0.00085637 -0.00068068
-0.00352892 0.04095794 0.00201839
-6.72405440 6.26476237 10.01620141
0.00023218 -0.00009634 -0.00042420
-0.01190504 -0.00249441 -0.00990770
-1.60175787 -17.92992222 11.58840322
0.00100510 -0.00002258 0.00010848
0.00010691 -0.01265013 0.00145628
-2.71234208 -15.84272411 9.85748272
0.00031190 -0.00019613 -0.00048062
0.00748186 -0.00229408 0.00345409
8.60246285 -0.29370005 -3.27739326
0.00086263 0.00005637 0.00024454
0.03694268 -0.00148853 0.05061915
7.77494032 1.51885209 -5.51700639
0.00022231 0.00023215 -0.00067327
-0.00194283 -0.01541053 0.01088532
0.27182457 -11.95593989 1.94872956
0.00016242 0.00031009 0.00002687
-0.00176824 0.00519926 -0.00744397
-1.43985179 -10.70798611 -0.13012331
-0.00048089 -0.00006600 -0.00001720
0.00577143 0.00887896 -0.00942248
-19.28803295 -0.74941934 6.94304939
-0.00035535 0.00122260 0.00049900
0.00580478 -0.01081304 0.03270023
-21.49229514 0.74432864 5.84295841
-0.00006433 0.00049753 -0.00040804
0.02568255 -0.01767863 -0.01167345
-5.40002487 8.34921055 -26.66964019
0.00136100 0.00073473 -0.00059749
0.04422158 0.00730463 -0.01913832
-5.29333148 7.81100999 -23.68608206
0.00031108 0.00039975 -0.00047843
-0.00537206 0.00468757 -0.03013977
4.14530332 1.93558976 -2.14444811
-0.00022840 -0.00053008 0.00065738
-0.02090249 -0.02126295 0.00570353
1.57422600 0.28913056 -1.50760245
-0.00116914 -0.00043612 -0.00021479
0.01235089 0.00089071 -0.00544226
14.77033206 7.65328644 5.88147240
-0.00070007 -0.00036890 0.00016122
-0.00064517 -0.00250887 0.01079964
15.05671221 9.84480895 3.95608920
-0.00085351 0.00047603 -0.00049034
0.02210408 0.06120087 -0.00040142
1.67937872 -11.69821733 -13.97915635
0.00030519 0.00015392 -0.00009558
0.01232466 0.00625638 0.00335971
-13.59145354 14.72253568 22.84872793
-0.00005547 0.00013479 0.00013569
-0.00143751 0.00071254 0.00044427
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02393254
0.31566366
420.60600749
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1339318551
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3591097155 (a.u.)
total exchange computation time: 2.5641779900 s
-154.1229862573
-931.34502531
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1339318551
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3585959643 (a.u.)
total exchange computation time: 2.5644121170 s
-154.1284753416
Anderson extrapolation: theta=1.3565076632 (1.3565076632)
-931.34529090
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1339318551
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3577856917 (a.u.)
total exchange computation time: 2.5636999607 s
-154.1366146457
Anderson extrapolation: theta=0.0581043516 (0.0581043516)
-931.34545383
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1339318551
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3576470071 (a.u.)
total exchange computation time: 2.5673129559 s
-154.1377080055
Anderson extrapolation: theta=2.0714868476 (2.0000000000)
-931.34546149
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1339318551
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3573388510 (a.u.)
total exchange computation time: 2.5639541149 s
-154.1400349354
Anderson extrapolation: theta=0.2837557155 (0.2837557155)
-931.34547094
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1339318551
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3572437557 (a.u.)
total exchange computation time: 2.5643079281 s
-154.1406635736
Anderson extrapolation: theta=1.5701438525 (1.5701438525)
-931.34547325
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1339318551
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3571167429 (a.u.)
total exchange computation time: 2.5684800148 s
-154.1414082977
Anderson extrapolation: theta=0.3400504271 (0.3400504271)
-931.34547590
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1339318551
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3570981218 (a.u.)
total exchange computation time: 2.5664398670 s
-154.1414229914
Anderson extrapolation: theta=1.0848560277 (1.0848560277)
-931.34547666
-66.708056 -126.526340 -244.999697
-137.138338 458.410915 -807.044470
-203.846394 331.884575 -1052.044167
1121.827818
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1339318551
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3570977083 (a.u.)
total exchange computation time: 2.6474230289 s
678.73031585
-1083.58119111
89.75515761
-389.13396804
-174.75869382
78.21900015
551.60419304
0.00000000
-931.34547722
-9.11683667 -5.32281609 9.87259254
0.00027709 -0.00004534 0.00025415
-0.01675935 -0.00169070 -0.02031095
-13.75161259 5.00961607 8.88214550
0.00004812 -0.00011161 -0.00015238
-0.00257037 0.00592096 -0.01357878
-15.89674126 1.49671391 2.98494806
-0.00013296 -0.00015885 0.00013333
0.01105708 0.00567983 -0.01066258
2.25391213 -19.69824506 13.47626700
-0.00026129 -0.00011415 0.00034258
0.02693746 -0.05082596 0.01605496
10.05340613 20.83221005 0.26184614
0.00030212 -0.00002048 -0.00036761
-0.02328146 -0.04115568 -0.01475213
-11.29570929 12.84689244 15.20170991
-0.00002024 0.00005763 0.00010828
0.02270237 -0.03941826 0.01001065
-5.93828037 0.99663980 -12.82320065
0.00017605 -0.00006759 0.00011666
0.00664266 0.01807458 -0.01189379
-8.88011742 6.79374393 -6.86678868
-0.00005089 0.00014768 -0.00008905
-0.02359902 0.00160704 0.01388384
-7.25368461 -3.81657809 17.98076816
0.00033037 -0.00030208 -0.00020643
-0.00203650 -0.00907665 0.00724503
-23.62185773 -7.67971076 -23.77595707
-0.00031984 0.00000136 -0.00042787
0.03336149 0.02606266 -0.00832445
8.68800279 13.36300213 6.71001455
0.00044333 0.00039478 -0.00004155
-0.02393598 0.03363693 -0.05950069
22.95106433 28.70806812 -2.91176960
-0.00027942 -0.00015865 0.00025896
0.00040317 0.01209927 0.01342595
9.57639936 0.16137089 -14.75491807
0.00021526 0.00023328 -0.00032827
-0.03935728 0.00501119 -0.01916116
-9.25199143 -1.23857399 12.38209604
-0.00038834 -0.00035548 -0.00011225
-0.00887900 0.04329296 0.03651977
-2.20553052 -25.93456911 10.53429157
-0.00006052 -0.00001154 -0.00016426
0.03616528 0.00833490 -0.02512134
-15.35015841 -4.17626005 -7.42786283
-0.00020487 -0.00017631 -0.00041546
0.00678101 0.01232842 0.00810705
-19.38906300 -11.08318763 -18.28828764
0.00003920 -0.00003129 -0.00015517
-0.01531120 0.03507372 -0.00414643
20.94699393 5.53042627 4.73992055
-0.00026053 0.00054753 0.00017546
0.00035414 0.01794632 0.00697353
19.76357437 -11.47109238 -13.25096993
0.00052788 0.00012147 0.00007937
-0.04153262 -0.00106217 0.03304964
-3.31888001 -0.43543214 -6.52226820
-0.00019881 -0.00011193 0.00005693
-0.00092457 0.01565029 0.00163895
-3.58989040 -3.10572609 -17.61043735
0.00027565 0.00021671 -0.00004935
0.00097404 -0.01663107 -0.02272544
14.29854274 16.45434849 -21.37112783
0.00001656 0.00014448 -0.00012752
0.00795616 -0.01829900 -0.01379506
-14.55132297 17.82194247 -13.42412206
-0.00001962 0.00036601 -0.00019396
-0.00915811 -0.01769775 -0.03719942
1.30463746 15.01832725 7.71937503
-0.00031497 0.00004679 -0.00037534
0.04085196 -0.01759553 -0.02186203
-4.22549111 -9.19623953 3.83223481
0.00030453 -0.00001087 -0.00002971
0.00205455 -0.00654386 0.00384437
2.07839741 -5.15709127 2.33895453
-0.00005916 -0.00014474 0.00010339
0.04286444 0.01176195 -0.03413262
9.65763653 7.23313969 4.35113107
-0.00012203 0.00009813 -0.00021717
-0.00096077 0.00362405 -0.01998106
-9.34859487 -10.39859657 -2.49296574
-0.00024122 -0.00012310 0.00037563
-0.03771523 0.03410340 0.00985746
3.38024445 -15.61174298 -13.14190060
-0.00017109 0.00009219 -0.00007201
0.02387365 0.03255882 -0.05423899
3.86513066 -5.70375028 -2.97624081
0.00000477 -0.00006872 0.00052916
0.01055492 -0.02849447 0.03405602
18.36167969 1.82568436 24.41506310
-0.00006893 -0.00014277 -0.00006723
0.01251721 0.00607102 0.00619251
-9.03310537 2.34708181 1.54827759
-0.00008563 -0.00031191 -0.00001743
0.01992945 0.00850014 -0.00327623
-5.77469158 12.35147779 -9.70963452
0.00038976 -0.00047653 0.00011279
-0.00807948 -0.01112224 -0.01026315
1.63277470 13.35683941 -7.47949513
0.00004488 0.00013372 -0.00002270
0.00477732 0.00318029 -0.01946644
-11.31928272 10.04644096 -12.50405544
-0.00026073 -0.00006057 -0.00002190
0.02358037 -0.05215489 -0.00532210
7.82916846 3.77848801 14.67126494
-0.00002833 -0.00041475 0.00015127
0.01926283 -0.03669901 0.01793355
-15.24358057 10.09145353 -7.50575364
0.00022041 0.00049999 0.00064288
0.00825123 -0.00635579 -0.00165085
8.40047256 7.61854801 -3.05554587
-0.00050167 -0.00007975 -0.00015429
0.02648636 0.03281173 0.01794781
14.13268214 -20.64939738 -26.61319825
-0.00005487 0.00020096 0.00012575
-0.00595717 -0.00541070 0.03249955
5.14332445 6.71608654 1.88291464
0.00003873 -0.00040380 0.00006874
-0.00441576 -0.01638562 -0.00237323
18.18661813 -5.83300006 -7.40167368
-0.00018920 0.00006149 0.00017697
-0.00621338 0.02147050 0.01136752
-1.97023237 -2.24382640 -1.95090275
-0.00000002 -0.00018554 0.00028732
-0.01597615 0.03763766 -0.00029407
2.83854758 -2.17973015 -12.02272248
0.00002936 -0.00009940 0.00005772
-0.01628988 0.01276689 0.00815009
19.81728554 9.02063091 -6.00461111
0.00024392 -0.00040193 0.00011840
0.02509844 -0.02528187 -0.01554480
-7.73071188 5.69748012 8.56412084
-0.00005739 -0.00021044 -0.00032103
0.01943722 -0.02746739 0.01490135
-1.68871052 -16.15282075 11.34475467
0.00010982 -0.00012224 -0.00003227
-0.00620533 0.01642556 -0.00436981
7.65308281 -0.18159976 -4.71683826
0.00002836 0.00062088 -0.00001512
-0.03355497 0.01899526 -0.04580264
-1.09431624 -12.29406118 0.73011937
-0.00020711 -0.00025266 0.00012993
-0.00352346 -0.01026163 0.01385746
-20.02280799 -0.34408841 5.36463190
-0.00007636 0.00042637 0.00006606
-0.03471721 0.02744671 -0.01951357
-6.35241868 8.06474987 -25.20661842
0.00007079 0.00012983 0.00026199
-0.01446081 -0.01539989 0.05905370
2.29690950 1.92348413 -1.92207503
-0.00010815 0.00001283 -0.00014836
0.01415499 0.00211716 0.00005050
14.56660360 8.20799929 4.15892631
-0.00014910 -0.00001844 -0.00001441
-0.01648944 -0.05124033 -0.01638200
-8.18538737 -6.86157489 10.00297694
-0.00076104 0.00058897 -0.00094069
0.00804980 -0.01048246 0.00210063
-10.43174246 -5.64211492 8.59717198
-0.00015092 -0.00034782 0.00045512
0.01297310 0.00140572 0.01151429
-13.25939040 5.42068687 7.12171706
-0.00025644 -0.00088850 -0.00036931
-0.00028923 0.00522240 0.01281435
-13.25482659 3.26746990 9.05850998
0.00080597 0.00072448 0.00092600
-0.00171382 -0.00665937 -0.00175245
-14.53413439 1.55304228 4.19340201
-0.00058295 0.00019749 -0.00043356
0.00189740 0.00250094 0.00641824
-17.33209599 0.85562668 3.92036014
0.00103633 0.00060942 0.00006766
-0.01297437 -0.00383953 0.00321146
2.27114926 -21.48601865 12.64656488
-0.00040783 -0.00014692 -0.00086557
0.00900609 0.04950147 0.02307812
3.58208624 -19.77463386 14.90131134
0.00013975 0.00008151 -0.00064033
-0.03800158 -0.00267391 -0.04260317
9.18539635 19.15027441 -0.04633967
0.00078489 0.00014537 -0.00001958
0.02854298 0.01453136 0.00283511
8.72847199 21.51703727 1.29089748
-0.00013257 -0.00058951 -0.00073332
-0.00945233 0.01878451 0.00935356
-10.46717881 12.09977808 16.76249520
-0.00058358 0.00039902 -0.00076512
-0.01296612 0.00181719 -0.01427307
-11.14806339 14.50768533 15.74361205
0.00023454 0.00046170 0.00017839
-0.00370996 0.04835928 0.00160682
-6.09782159 0.15193131 -14.40208616
-0.00030077 -0.00018995 0.00012556
0.00429096 -0.00870048 -0.01312668
-7.35398346 0.40374539 -11.84854865
-0.00117891 -0.00049207 -0.00046084
-0.00819365 -0.01207054 0.02272854
-7.71767992 8.16149041 -7.15537244
0.00044631 -0.00052019 -0.00130858
-0.00088393 -0.00135941 -0.00170202
-9.76838519 7.27222595 -5.26084060
0.00034849 0.00120641 -0.00051558
0.01573844 -0.00942259 -0.02676453
-7.57516941 -2.03152205 17.92395230
0.00004735 0.00109441 -0.00002325
0.00016733 0.00805991 0.00273767
-7.17591640 -4.32897353 19.77417256
-0.00030837 -0.00066016 0.00046490
-0.00475945 -0.00204010 -0.01098623
-24.30314157 -5.98063201 -23.82151864
0.00067908 0.00003740 -0.00070204
-0.01937290 -0.00072379 0.00436078
-21.87131388 -7.00221811 -24.04619552
-0.00002560 -0.00104901 -0.00064423
-0.01261838 -0.02533526 0.00411380
8.65948871 13.23214015 4.78466433
-0.00005564 0.00075753 0.00079886
0.00254914 0.00429260 0.03887676
9.73421504 12.08757756 7.37819399
-0.00011928 0.00089239 0.00069867
0.01575329 -0.02882342 0.01728025
24.06013984 27.27035650 -2.59683706
-0.00107939 -0.00036565 0.00001641
-0.01826805 0.00135365 0.00107492
22.35113240 29.38480400 -1.26346433
-0.00112216 -0.00087081 0.00061196
0.00754137 -0.00272200 -0.02008544
11.12099851 -0.29245785 -14.06078459
0.00056293 0.00105631 0.00104566
0.03356137 -0.01014650 0.01649555
8.49717497 -1.32178338 -14.41070335
0.00088676 0.00025119 0.00091176
0.00881040 0.00242054 0.00196082
-9.53737415 -1.23025890 14.23332878
0.00056304 0.00084483 -0.00020711
0.00417752 -0.00369667 -0.02917848
-9.18382777 -2.90356694 11.72859318
0.00082144 -0.00005371 -0.00117027
-0.00045798 -0.03182090 -0.00323124
-3.14855303 -26.56128636 11.93077514
-0.00015240 -0.00032415 0.00007638
-0.02070032 -0.00765743 0.01398591
-3.21760093 -25.45000417 9.11865628
0.00042665 0.00054996 0.00019582
-0.00989693 0.00043865 0.00015800
-14.99807589 -2.42364859 -6.78991464
-0.00012412 -0.00022601 -0.00036327
0.00169648 -0.01846110 0.00371358
-16.15765634 -3.87083431 -8.99893866
-0.00046214 -0.00030221 -0.00023584
-0.01186115 0.00059198 -0.01137084
-19.24710064 -9.29311911 -19.00824987
-0.00033417 -0.00025548 0.00072626
0.00882054 -0.04608589 0.01137498
-18.26252631 -12.37730172 -18.92925208
0.00013283 -0.00055941 0.00007096
0.00930463 0.00928414 -0.00990894
22.47220016 6.24740098 4.06922686
0.00015161 -0.00070233 0.00019622
0.01088356 -0.00792704 -0.00599272
20.20183273 7.08411304 5.39399642
-0.00116557 -0.00049058 -0.00003826
-0.00908218 -0.01227623 -0.00121576
18.47178836 -11.13539365 -11.76039917
0.00019933 0.00003182 -0.00069977
0.02924577 -0.00128570 -0.03888870
19.13646138 -10.46772784 -14.64184760
0.00038766 0.00078200 0.00076125
-0.00491468 0.00573915 0.00018517
-1.77485861 0.49796360 -6.50904980
0.00041462 -0.00034015 0.00036929
0.02239023 -0.00006429 -0.00709154
-4.42299219 0.98318119 -6.18089667
0.00041632 0.00036338 0.00017476
-0.01345794 -0.00992181 0.00207604
-3.35528375 -4.33647867 -19.01376743
-0.00053036 0.00048038 -0.00068807
-0.00099882 0.01935296 0.02520040
-3.65120267 -1.49169493 -18.49155377
0.00023017 -0.00018402 0.00014208
0.00236800 0.00562442 -0.00026810
14.29333728 18.04084337 -20.55896507
0.00112938 0.00036749 -0.00057692
-0.00770018 0.01515965 0.01405408
12.56283655 15.77656987 -21.36191246
0.00077380 -0.00022925 0.00064457
0.00476869 0.00954156 0.00208017
-14.02019393 17.21011605 -11.84400480
0.00014534 0.00037755 0.00072765
0.00927667 -0.00312483 0.02980600
-14.30845853 16.21697290 -14.48437680
0.00062271 -0.00033539 -0.00091948
-0.00435000 0.01486891 0.00958092
1.88405581 15.97931326 6.28655278
0.00016111 -0.00024486 -0.00037015
0.01403385 -0.01072169 -0.01109153
0.01640697 16.10327768 8.12849844
0.00025754 -0.00063244 -0.00059223
-0.05412550 0.02513540 0.03288369
-4.52087733 -7.83569429 2.63743097
-0.00019381 0.00059701 -0.00011656
-0.00278027 -0.01247575 0.00130110
-3.22359299 -10.49844336 2.96852512
0.00041443 -0.00083626 -0.00087942
-0.00536588 0.01074828 -0.00336706
1.54909420 -3.65361086 3.12517605
0.00010397 0.00156398 0.00043292
-0.02155145 0.02236717 0.02608671
3.32793973 -4.25075511 1.19983390
0.00076952 0.00019995 -0.00044185
-0.02021807 -0.03610111 0.01377246
8.15568425 7.43361562 3.24284999
0.00124554 -0.00096277 -0.00036266
0.01706328 -0.00285374 0.00810337
11.22007538 7.91915473 3.54240537
-0.00037265 -0.00005232 0.00015716
-0.01586245 -0.00955643 0.01429043
-8.28052221 -11.76471671 -2.13411380
-0.00082928 -0.00152840 0.00001103
0.03035703 -0.03222259 0.00057000
-10.19146262 -9.91427033 -0.91549099
0.00045402 0.00023666 -0.00003470
0.00007087 0.00135759 -0.01531430
4.94242881 -16.50792645 -13.54694925
-0.00121081 -0.00121069 -0.00011853
-0.00183794 0.00031841 0.01761931
2.45996390 -16.23919537 -11.81403489
0.00079769 -0.00012666 -0.00090561
-0.02032956 -0.03179835 0.04034739
4.39307582 -4.74795322 -4.39473044
0.00054279 0.00000385 -0.00008217
0.01762825 0.00815608 -0.01570737
5.39691505 -6.58051160 -2.20947743
0.00045948 0.00070241 -0.00022338
-0.02494783 0.01938284 -0.01826107
16.60190973 2.33261717 24.59762564
-0.00040657 -0.00106824 -0.00019393
-0.00145013 0.00096646 -0.00614298
19.39677040 3.27033075 25.04154180
0.00009097 -0.00012054 -0.00109334
-0.01352081 -0.01324149 -0.00387223
-9.68167015 0.64973147 1.33171128
-0.00094937 -0.00005219 0.00026471
-0.01338215 0.00309875 0.00682626
-10.01177007 3.37870329 2.69457717
-0.00052567 -0.00023004 -0.00016396
-0.00490379 -0.00648229 -0.00378254
-5.12193250 13.74605733 -8.68799040
-0.00025545 0.00015156 -0.00022851
0.00441512 0.00259489 0.00655874
-7.55026318 12.11706257 -9.33853639
-0.00033800 -0.00026059 -0.00060500
0.00142444 0.00308488 0.00127310
1.32386365 11.69879044 -6.80299864
-0.00056603 0.00009172 0.00051366
-0.00441686 0.00669300 0.01282816
2.48025359 14.43203660 -6.27412571
0.00136427 -0.00053406 0.00091837
-0.00054207 -0.01157455 0.00824003
-10.89683499 8.17859572 -12.84461313
-0.00052229 -0.00006194 0.00046233
-0.01193967 0.04320786 -0.00041919
-11.66717833 9.92799153 -10.73238216
-0.00018649 -0.00012691 0.00052210
-0.00783474 0.00736938 0.00867331
7.11629948 5.18584357 13.88427241
-0.00019438 -0.00004949 0.00072580
-0.00261229 0.03017723 -0.01818996
9.64945447 3.69016810 14.46413393
-0.00029454 0.00063652 -0.00071880
-0.00984381 0.01471934 -0.00762455
-14.16977208 11.60288257 -7.66584525
0.00036486 0.00056558 -0.00080502
-0.00002828 -0.00699471 0.00734269
-16.88793223 10.57662035 -8.02342994
0.00020194 -0.00046695 -0.00015844
-0.01501871 0.00688739 -0.00432867
9.32499703 9.25486140 -2.80702531
0.00059250 -0.00023429 0.00004990
-0.00724146 -0.02707222 0.01217928
7.59121421 8.21461487 -4.54583558
-0.00012442 -0.00069461 0.00069171
-0.01949970 -0.00300767 -0.02553190
14.35236461 -19.09017477 -27.49802774
-0.00070193 -0.00031070 0.00029730
-0.00275299 0.01697234 -0.00466540
13.76549638 -20.16313765 -24.82113882
0.00076553 0.00053527 0.00047308
0.00575155 -0.00260463 -0.02609639
5.23495696 4.84181633 2.04400730
0.00091325 0.00052420 0.00064917
0.00250152 0.01428616 0.00476011
5.42966020 7.00550890 0.10165452
0.00012081 0.00048677 0.00121120
0.00389336 0.00404727 -0.00447099
19.78564476 -5.12343209 -6.86364712
0.00013565 0.00119069 0.00062442
-0.00131103 -0.01285685 -0.00027120
16.94336733 -4.87214234 -6.30695242
-0.00048119 0.00031746 0.00028955
0.00702300 -0.01259263 -0.00661014
-2.56339370 -0.64999580 -1.12614896
0.00002472 0.00023845 0.00055752
0.00844372 -0.02477602 0.00250572
-2.66426158 -1.83450248 -3.65755671
-0.00130293 -0.00056985 -0.00036583
0.00694038 -0.00921343 0.00745549
3.87098037 -3.54960413 -12.55968729
0.00059648 -0.00074977 -0.00040068
0.01386687 -0.01388127 -0.00391960
1.13630528 -2.90016058 -11.81377494
-0.00010871 0.00019650 0.00006309
0.00045078 0.00246341 0.00049509
19.91643136 8.74995060 -7.85938423
0.00010048 0.00009681 0.00019343
0.00032078 -0.00207805 0.02600881
21.11499322 7.79463783 -5.20688913
0.00018136 -0.00063495 0.00022953
-0.02470585 0.02249649 -0.01313937
-7.32196602 3.77946865 8.56545416
-0.00059169 0.00101431 -0.00067221
-0.00249181 0.03635930 0.00212487
-6.72093644 6.26324083 10.00953487
0.00018295 -0.00010726 -0.00046575
-0.01219786 -0.00285096 -0.01043397
-1.58667816 -17.93064855 11.59007504
0.00100522 -0.00007438 0.00011383
-0.00004428 -0.01270430 0.00116446
-2.70743438 -15.84573634 9.85037932
0.00034462 -0.00020701 -0.00046338
0.00853856 -0.00303373 0.00498444
8.61653429 -0.29290005 -3.27217404
0.00100417 0.00005205 0.00043574
0.03234568 -0.00062701 0.04297545
7.77821545 1.52186207 -5.52677185
0.00021500 0.00017062 -0.00062775
-0.00163694 -0.01470875 0.01139537
0.27420672 -11.95112927 1.94890450
0.00015270 0.00033003 -0.00000557
-0.00298871 0.00456092 -0.00843399
-1.44688835 -10.70870402 -0.13067006
-0.00045655 -0.00003350 -0.00005421
0.00614467 0.00703113 -0.00869263
-19.29318531 -0.73141162 6.95153645
-0.00033225 0.00117834 0.00063018
0.00550266 -0.01085314 0.03151222
-21.49247308 0.75124991 5.83648013
0.00003874 0.00042620 -0.00045552
0.02476907 -0.01724147 -0.01157134
-5.37825474 8.36045535 -26.67918906
0.00152591 0.00076073 -0.00065379
0.03650321 0.00542425 -0.00841852
-5.28882986 7.81714995 -23.69418202
0.00029234 0.00041781 -0.00059410
-0.00380014 0.00415249 -0.02648249
4.14123683 1.92698693 -2.13441264
-0.00031026 -0.00061660 0.00067979
-0.01917130 -0.02108508 0.00526625
1.55706732 0.28261601 -1.51099104
-0.00111397 -0.00042223 -0.00023962
0.01465637 0.00591097 -0.00671533
14.75981118 7.64767604 5.88422170
-0.00070245 -0.00037643 0.00020197
-0.00051564 -0.00117512 0.00914661
15.04458687 9.85382484 3.94872176
-0.00076620 0.00071635 -0.00048953
0.02063765 0.05643596 0.00080042
1.68398968 -11.69589181 -13.98058108
0.00030959 0.00015616 -0.00009439
0.01225095 0.00626868 0.00330267
-13.59228807 14.72455883 22.85076404
-0.00005579 0.00013497 0.00013581
-0.00131575 0.00084833 0.00060287
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02463464
0.32084258
427.50664966
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1338453218
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3542718076 (a.u.)
total exchange computation time: 2.6623799801 s
-154.1123736468
-931.35072530
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1338453218
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3539236239 (a.u.)
total exchange computation time: 2.6626818180 s
-154.1167545932
Anderson extrapolation: theta=1.3717008116 (1.3717008116)
-931.35098136
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1338453218
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3533763271 (a.u.)
total exchange computation time: 2.6629359722 s
-154.1232928190
Anderson extrapolation: theta=0.0642234801 (0.0642234801)
-931.35114210
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1338453218
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3532855473 (a.u.)
total exchange computation time: 2.6633298397 s
-154.1241918619
Anderson extrapolation: theta=2.2125698579 (2.0000000000)
-931.35115080
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1338453218
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3530903029 (a.u.)
total exchange computation time: 2.6620118618 s
-154.1260614949
Anderson extrapolation: theta=0.3661139408 (0.3661139408)
-931.35116220
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1338453218
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3530246719 (a.u.)
total exchange computation time: 2.6616671085 s
-154.1266437501
Anderson extrapolation: theta=1.2085670453 (1.2085670453)
-931.35116535
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1338453218
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3529691620 (a.u.)
total exchange computation time: 2.6634151936 s
-154.1270923997
Anderson extrapolation: theta=0.4485147823 (0.4485147823)
-931.35116807
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1338453218
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3529684718 (a.u.)
total exchange computation time: 2.6628451347 s
-154.1270477290
Anderson extrapolation: theta=0.8592407142 (0.8592407142)
-931.35116897
-66.669410 -170.894208 -245.028143
-137.117996 458.413645 -807.080403
-203.787406 287.519437 -1052.108545
1109.562583
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1338453218
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3529854909 (a.u.)
total exchange computation time: 2.6680560112 s
678.66123231
-1083.42996602
89.75736194
-389.23926097
-174.74755121
78.13639792
551.60419304
0.00000000
-931.35116943
-9.11274495 -5.32350264 9.87632646
0.00026687 -0.00004449 0.00024311
-0.02298597 0.00496888 -0.02262419
-13.75090065 5.00796481 8.87980739
0.00004656 -0.00010774 -0.00015937
-0.00350807 0.00910797 -0.01360063
-15.89869305 1.49435300 2.98690692
-0.00012647 -0.00015519 0.00012596
0.01420327 0.00857968 -0.01801257
2.25009672 -19.70015333 13.48146766
-0.00024795 -0.00014052 0.00034985
0.02493854 -0.05173614 0.01220718
10.05784818 20.83174404 0.25627514
0.00029038 -0.00004114 -0.00037509
-0.02238640 -0.03915556 -0.01436378
-11.29592526 12.84760491 15.20337266
-0.00000903 0.00003932 0.00011262
0.02087495 -0.03178629 0.00689190
-5.93561402 0.99569570 -12.82149658
0.00017790 -0.00005923 0.00011125
0.00057322 0.01443437 -0.00917313
-8.88097183 6.79596536 -6.86807083
-0.00006278 0.00014845 -0.00008242
-0.02264843 0.00137966 0.01189801
-7.24873692 -3.82114426 17.97769962
0.00032876 -0.00030428 -0.00020175
-0.00420444 0.00052959 0.01095146
-23.62652671 -7.67958987 -23.78240730
-0.00030252 0.00001401 -0.00043220
0.03401869 0.02312399 -0.00848732
8.69456036 13.36905357 6.70916173
0.00043049 0.00041295 -0.00007108
-0.02598412 0.03704325 -0.05533255
22.94687452 28.70573509 -2.90783335
-0.00027990 -0.00015173 0.00026616
-0.00224123 0.01478644 0.01456830
9.57947650 0.16488937 -14.75991598
0.00019695 0.00023553 -0.00033741
-0.03184090 0.00374032 -0.01639336
-9.25785079 -1.24373924 12.38055316
-0.00039279 -0.00033315 -0.00009443
-0.00843594 0.04354924 0.03278410
-2.20629877 -25.93471006 10.53173075
-0.00004181 -0.00000779 -0.00017585
0.03659611 0.00623144 -0.01993758
-15.35320534 -4.17885719 -7.43406343
-0.00020132 -0.00017004 -0.00041116
0.00702401 0.01204625 0.00862224
-19.38853402 -11.08352165 -18.29063121
0.00003151 -0.00001460 -0.00015703
-0.01459941 0.02982709 -0.00308590
20.94308732 5.53870838 4.74257928
-0.00026027 0.00055527 0.00017869
0.00065599 0.01216498 0.00561048
19.77133242 -11.46927450 -13.24965190
0.00050652 0.00012091 0.00009615
-0.04153250 -0.00111708 0.03220123
-3.32186575 -0.43705080 -6.52140788
-0.00019848 -0.00010339 0.00005784
0.00219638 0.01756348 0.00186860
-3.58575197 -3.10253959 -17.61126531
0.00027610 0.00020734 -0.00006101
0.00078764 -0.01981672 -0.02260213
14.29882181 16.45644505 -21.37309389
0.00002175 0.00013542 -0.00013468
0.01222185 -0.01690499 -0.01401927
-14.55165265 17.82736432 -13.42717489
-0.00002357 0.00035543 -0.00021183
-0.00617378 -0.02341924 -0.03231923
1.30007047 15.01896123 7.71366055
-0.00029230 0.00003636 -0.00038708
0.04730293 -0.02297347 -0.02376561
-4.22091518 -9.19642783 3.83180400
0.00030617 -0.00001458 -0.00002908
0.00432459 -0.00787803 -0.00138817
2.07767532 -5.15921695 2.34037375
-0.00003740 -0.00013516 0.00008674
0.04176917 0.02548537 -0.03063406
9.65580236 7.23462564 4.34779647
-0.00012164 0.00009949 -0.00022613
0.00247059 0.00166194 -0.01487443
-9.35235864 -10.40031152 -2.48729332
-0.00025914 -0.00010709 0.00038007
-0.03195947 0.02813559 0.00743938
3.37777023 -15.61023452 -13.14319004
-0.00015756 0.00010975 -0.00010163
0.02872404 0.03573074 -0.06091416
3.86524298 -5.70489104 -2.96817202
0.00001063 -0.00008222 0.00054498
0.01220606 -0.02397571 0.02746637
18.36069396 1.82356624 24.41407855
-0.00006270 -0.00014011 -0.00006435
0.01172237 0.00425293 0.00498559
-9.03431301 2.34243599 1.54800353
-0.00007577 -0.00030746 -0.00001877
0.01842848 0.00878871 -0.00195447
-5.76887637 12.34428698 -9.70798232
0.00038458 -0.00048232 0.00010781
-0.01205121 -0.01142357 -0.00907937
1.63346632 13.35885746 -7.47991065
0.00004805 0.00013562 -0.00003115
0.00754517 0.00420795 -0.01339789
-11.32310277 10.04533125 -12.50440443
-0.00024891 -0.00008720 -0.00002335
0.02241115 -0.05138800 -0.00033401
7.82881777 3.77212517 14.67360315
-0.00001889 -0.00043293 0.00015996
0.01743897 -0.03399857 0.01584834
-15.24024256 10.09892890 -7.49611685
0.00022482 0.00049703 0.00064183
0.00890389 -0.00515728 -0.00241939
8.39304961 7.61747835 -3.05779096
-0.00048666 -0.00006324 -0.00014303
0.03188214 0.03137295 0.02583103
14.13183615 -20.64640381 -26.61118664
-0.00005805 0.00019727 0.00014343
-0.00642130 -0.00893199 0.03626311
5.14388843 6.70996640 1.88393656
0.00003613 -0.00041104 0.00006941
-0.00570209 -0.01180051 0.00497280
18.18375619 -5.83199486 -7.39897525
-0.00019120 0.00007339 0.00018343
-0.00157385 0.02477824 0.01374287
-1.97029423 -2.24646429 -1.94659401
-0.00000893 -0.00016549 0.00028620
-0.01868999 0.04032714 -0.00407708
2.83892512 -2.18117186 -12.02182518
0.00002221 -0.00009423 0.00006134
-0.01150513 0.00730597 0.00589989
19.82104113 9.01450452 -6.00289505
0.00025671 -0.00041489 0.00011081
0.02465483 -0.02512839 -0.01397360
-7.73149782 5.69421759 8.55936294
-0.00004772 -0.00022304 -0.00031339
0.01816633 -0.02152018 0.01478732
-1.68708719 -16.15459096 11.34425371
0.00010644 -0.00011374 -0.00003472
-0.00694405 0.01662063 -0.00513691
7.65337884 -0.17221332 -4.71724181
0.00001248 0.00062984 -0.00003631
-0.02820877 0.01586868 -0.03657383
-1.09743652 -12.29789063 0.73212178
-0.00020877 -0.00025717 0.00013705
-0.00291771 -0.00728673 0.01383269
-20.02408732 -0.33758691 5.36554755
-0.00009365 0.00044014 0.00005658
-0.03251312 0.02609119 -0.01735523
-6.35141261 8.06663788 -25.20246082
0.00006482 0.00012260 0.00028843
-0.00876652 -0.01268899 0.04377861
2.29534186 1.92368482 -1.92430031
-0.00010203 0.00001268 -0.00014795
0.00962526 -0.00272320 0.00158066
14.56430348 8.20752507 4.15864695
-0.00015702 -0.00004323 -0.00002275
-0.01432106 -0.04516991 -0.01604771
-8.19655628 -6.85306157 9.98893097
-0.00071620 0.00052979 -0.00092934
0.01389923 -0.01848571 0.00345299
-10.43360867 -5.64728919 8.60435161
-0.00009727 -0.00033927 0.00050355
0.01328487 0.00278058 0.01219298
-13.26324582 5.40751944 7.11657014
-0.00025742 -0.00086670 -0.00031716
-0.00018969 0.00544980 0.01271373
-13.24278951 3.27813304 9.07234632
0.00080068 0.00069045 0.00091943
-0.00087716 -0.00999974 -0.00146484
-14.54282057 1.55608125 4.18709523
-0.00056602 0.00020797 -0.00040075
0.00639308 0.00263148 0.00964514
-17.31694859 0.86465034 3.92147340
0.00096862 0.00058725 0.00008898
-0.02017282 -0.00701195 0.00722848
2.26530777 -21.48670552 12.63428855
-0.00037020 0.00005805 -0.00076810
0.00941390 0.05082951 0.02463217
3.58301803 -19.77349312 14.89040084
-0.00001208 0.00006933 -0.00080971
-0.03632007 -0.00329109 -0.04030547
9.19804430 19.15290021 -0.04654645
0.00089957 0.00019907 -0.00000963
0.02759655 0.01175851 0.00203460
8.72619379 21.50877027 1.28018437
-0.00017166 -0.00051143 -0.00069410
-0.00968124 0.01943382 0.00984049
-10.47632980 12.10581904 16.75058106
-0.00063152 0.00040109 -0.00081412
-0.01050301 -0.00080181 -0.00971546
-11.14465896 14.51609264 15.74633707
0.00021864 0.00064932 0.00018152
-0.00407334 0.04348466 -0.00007496
-6.10220162 0.14881550 -14.40060501
-0.00028179 -0.00022399 0.00007260
0.00499958 -0.00796623 -0.01279915
-7.37191825 0.39599451 -11.85476483
-0.00120096 -0.00053559 -0.00037359
-0.00259983 -0.00923574 0.01998231
-7.71101232 8.15364584 -7.17505333
0.00044252 -0.00052582 -0.00131471
-0.00097247 -0.00139580 -0.00129885
-9.76267557 7.29003329 -5.26939451
0.00041125 0.00116838 -0.00062148
0.01498261 -0.00918991 -0.02506991
-7.57445399 -2.01485885 17.92368748
0.00005181 0.00110550 -0.00001110
0.00201224 -0.00263252 0.00320604
-7.18068774 -4.33893842 19.78080933
-0.00032795 -0.00066594 0.00041183
-0.00482589 -0.00078876 -0.01499122
-24.29354908 -5.98009317 -23.83191567
0.00059792 0.00003915 -0.00068397
-0.02035361 0.00157921 0.00448888
-21.87208454 -7.01872968 -24.05573289
-0.00007639 -0.00115159 -0.00062731
-0.01224420 -0.02487717 0.00417010
8.65873230 13.24363457 4.79783849
-0.00004419 0.00077283 0.00094753
0.00305202 0.00319703 0.03390187
9.73290855 12.10008023 7.38920357
-0.00005157 0.00076996 0.00077039
0.01739023 -0.03110964 0.01782746
24.04338917 27.26491323 -2.59655804
-0.00114992 -0.00036509 0.00002169
-0.01625476 -0.00107932 0.00150942
22.33453104 29.37165851 -1.25490038
-0.00108975 -0.00088256 0.00052653
0.00832516 -0.00303317 -0.02173307
11.13047096 -0.27692410 -14.04459421
0.00068723 0.00101952 0.00110757
0.02728274 -0.00786315 0.01380816
8.51074633 -1.31794130 -14.39696692
0.00092011 0.00025873 0.00091920
0.00751298 0.00126804 0.00168272
-9.52880050 -1.21769974 14.22932807
0.00057931 0.00082658 -0.00032320
0.00378622 -0.00523464 -0.02764800
-9.17152023 -2.90534771 11.71094019
0.00081943 -0.00018104 -0.00117898
-0.00052769 -0.03050955 -0.00103652
-3.15147337 -26.56638328 11.93234937
-0.00023368 -0.00035305 0.00012844
-0.01908379 -0.00648706 0.01149900
-3.21150448 -25.44174129 9.12159846
0.00038214 0.00055356 0.00019162
-0.01189033 0.00132344 -0.00221674
-14.99988570 -2.42760444 -6.79524992
-0.00011717 -0.00030039 -0.00034813
0.00170447 -0.01795077 0.00369793
-16.16495188 -3.87534934 -9.00282462
-0.00051116 -0.00029929 -0.00028247
-0.01213667 0.00083654 -0.01145647
-19.25184288 -9.29836355 -18.99700734
-0.00029641 -0.00043763 0.00076883
0.00966296 -0.04307707 0.00946079
-18.26024867 -12.38540836 -18.92849125
0.00016789 -0.00051699 0.00003197
0.00785463 0.01148252 -0.00918056
22.47480776 6.23662309 4.07198657
0.00019564 -0.00073114 0.00017282
0.01067098 -0.00617324 -0.00546360
20.18407086 7.07637819 5.39338525
-0.00120292 -0.00053234 -0.00004191
-0.00920004 -0.00816889 -0.00057193
18.47567456 -11.13495578 -11.77208732
0.00031802 0.00002613 -0.00085403
0.02884974 -0.00149840 -0.03662267
19.14212566 -10.45582199 -14.63042318
0.00036839 0.00080563 0.00075916
-0.00451696 0.00582843 -0.00120908
-1.76795314 0.49285937 -6.50372775
0.00049984 -0.00034444 0.00034034
0.01932570 -0.00203466 -0.00707787
-4.41715976 0.98832792 -6.17821170
0.00036124 0.00032292 0.00018304
-0.01350263 -0.00988555 0.00197976
-3.36326983 -4.32867988 -19.02331624
-0.00053384 0.00055957 -0.00058320
-0.00070293 0.01940833 0.02613448
-3.64767751 -1.49428292 -18.48943081
0.00023966 -0.00015496 0.00013879
0.00227415 0.00860324 -0.00133958
14.31004207 18.04682025 -20.56718826
0.00109674 0.00042823 -0.00051971
-0.00827698 0.01457346 0.01395407
12.57458962 15.77342346 -21.35218013
0.00078573 -0.00019159 0.00065356
0.00107091 0.00889554 0.00231980
-14.01772955 17.21568357 -11.83217664
0.00017810 0.00036957 0.00083340
0.00675686 -0.00077995 0.02195635
-14.29925118 16.21239763 -14.49787534
0.00060405 -0.00026829 -0.00087365
-0.00478231 0.01798077 0.01284944
1.88690245 15.97531182 6.28066059
0.00021763 -0.00028816 -0.00041516
0.01363261 -0.01047196 -0.01093748
0.01861154 16.09456125 8.12062270
0.00002424 -0.00051910 -0.00045450
-0.06007590 0.03034923 0.03453447
-4.52386971 -7.82712142 2.63572240
-0.00020315 0.00053901 -0.00010624
-0.00179142 -0.01591689 0.00375260
-3.21754097 -10.51065795 2.95523067
0.00038548 -0.00078287 -0.00088725
-0.00880282 0.01538862 -0.00046422
1.54999330 -3.62946580 3.13246920
0.00002536 0.00163170 0.00052646
-0.01692618 0.01078163 0.01970478
3.33886295 -4.24886217 1.19362821
0.00067976 0.00004814 -0.00037916
-0.02371774 -0.03820949 0.01691454
8.17489018 7.41908657 3.23765840
0.00130308 -0.00097187 -0.00033738
0.01110534 -0.00160091 0.00427103
11.21399951 7.91807707 3.54520073
-0.00043211 -0.00008951 0.00021311
-0.01324260 -0.00864571 0.01309549
-8.29203124 -11.78863006 -2.13393085
-0.00071308 -0.00164968 0.00001089
0.02652732 -0.02714639 -0.00064134
-10.18465013 -9.91067886 -0.91648080
0.00045066 0.00024374 -0.00008989
-0.00171601 0.00210940 -0.01170178
4.92421032 -16.52607706 -13.54818730
-0.00121538 -0.00120877 -0.00004919
-0.00039705 0.00062217 0.01632482
2.47130627 -16.24206974 -11.82638272
0.00070193 -0.00026348 -0.00072459
-0.02654348 -0.03517311 0.04826240
4.40175780 -4.74764556 -4.39644436
0.00060938 0.00003116 -0.00013693
0.01497082 0.00521224 -0.01109592
5.40304277 -6.56938151 -2.21338769
0.00035966 0.00077820 -0.00029447
-0.02391636 0.01771702 -0.01654024
16.59576679 2.31662321 24.59452846
-0.00041082 -0.00106285 -0.00021851
-0.00063249 0.00167106 -0.00589042
19.39772059 3.26811687 25.02502304
0.00003566 -0.00017194 -0.00110713
-0.01355263 -0.01192085 -0.00287938
-9.69632083 0.64904359 1.33589104
-0.00100275 -0.00003964 0.00029159
-0.01274693 0.00304415 0.00633345
-10.01980539 3.37505404 2.69200181
-0.00054320 -0.00025701 -0.00018121
-0.00367859 -0.00671730 -0.00466230
-5.12562901 13.74841026 -8.69121713
-0.00023761 0.00016122 -0.00020223
0.00432032 0.00213303 0.00630694
-7.55528958 12.11324819 -9.34757243
-0.00032410 -0.00024665 -0.00060134
0.00538307 0.00374047 0.00052180
1.31523787 11.70037139 -6.79490066
-0.00058339 0.00012314 0.00056299
-0.00408142 0.00868608 0.01131726
2.50070100 14.42367099 -6.26009762
0.00135577 -0.00058743 0.00094272
-0.00361894 -0.01455039 0.00368038
-10.90503521 8.17899058 -12.83769103
-0.00057058 0.00011226 0.00045896
-0.01170018 0.04206492 -0.00122959
-11.67021583 9.92631375 -10.72428486
-0.00021684 -0.00009580 0.00054901
-0.00702078 0.00785927 0.00449868
7.11330370 5.18602596 13.89460205
-0.00020518 0.00007103 0.00065388
-0.00267560 0.02881831 -0.01701625
9.64473478 3.70016701 14.45311830
-0.00033085 0.00069508 -0.00074906
-0.00793102 0.01394619 -0.00719002
-14.16430003 11.61115200 -7.67769550
0.00036186 0.00053419 -0.00077391
-0.00144057 -0.00837452 0.00788517
-16.88536331 10.56982718 -8.02593912
0.00014130 -0.00043870 -0.00017620
-0.01466633 0.00693802 -0.00436787
9.33366260 9.25051749 -2.80590361
0.00055940 -0.00034824 0.00009775
-0.00895909 -0.02870933 0.01124559
7.58875033 8.20410362 -4.53624225
-0.00021131 -0.00070032 0.00057397
-0.02303023 0.00020812 -0.03210288
14.34175125 -19.09431522 -27.49371116
-0.00071182 -0.00023327 0.00027281
-0.00208687 0.02093337 -0.00732476
13.77715555 -20.15518841 -24.81484229
0.00078873 0.00052328 0.00036448
0.00560609 -0.00326380 -0.02706491
5.24873233 4.85011712 2.05389076
0.00092311 0.00057229 0.00066743
0.00232534 0.00925389 0.00417617
5.43159168 7.01293449 0.11968552
0.00013862 0.00050401 0.00117834
0.00482586 0.00438964 -0.01161368
19.78763932 -5.10596567 -6.85428918
0.00011962 0.00113289 0.00061908
-0.00653720 -0.01543803 -0.00233990
16.93636463 -4.86776637 -6.30281177
-0.00045093 0.00026407 0.00026097
0.00779259 -0.01353837 -0.00737766
-2.56276410 -0.64717819 -1.11770937
0.00006039 0.00013312 0.00056443
0.00901731 -0.02678655 0.00087608
-2.68359292 -1.84333249 -3.66281574
-0.00127017 -0.00060815 -0.00032479
0.00909632 -0.00953476 0.01263748
3.88035251 -3.56127602 -12.56581762
0.00064298 -0.00079382 -0.00041203
0.00889590 -0.00768460 -0.00163695
1.13468844 -2.89713759 -11.81281347
-0.00010662 0.00020548 0.00006474
0.00057251 0.00193251 0.00031627
19.91794834 8.75133911 -7.85568576
0.00010205 0.00008758 0.00029699
0.00045163 -0.00244034 0.02468432
21.11695660 7.78580301 -5.20384876
0.00008058 -0.00054291 0.00017573
-0.02462922 0.02255548 -0.01319797
-7.33091777 3.79579753 8.55543610
-0.00059935 0.00115099 -0.00066347
-0.00125443 0.03054543 0.00215386
-6.71856605 6.26154458 10.00222887
0.00013404 -0.00011904 -0.00050796
-0.01174181 -0.00291710 -0.01022961
-1.57160117 -17.93215349 11.59181823
0.00100460 -0.00012526 0.00011784
-0.00025880 -0.01220428 0.00079441
-2.70200339 -15.84893450 9.84358140
0.00038101 -0.00022078 -0.00044054
0.00927086 -0.00370408 0.00619554
8.63258807 -0.29213847 -3.26432101
0.00112438 0.00005165 0.00059227
0.02649541 0.00043166 0.03364842
7.78139026 1.52397061 -5.53583893
0.00020906 0.00011284 -0.00058061
-0.00126976 -0.01357467 0.01168064
0.27640570 -11.94603912 1.94856256
0.00013827 0.00034732 -0.00004174
-0.00407721 0.00390484 -0.00927271
-1.45354832 -10.70899102 -0.13174955
-0.00043061 -0.00000902 -0.00008797
0.00655451 0.00494835 -0.00783564
-19.29800043 -0.71406905 6.96195477
-0.00031149 0.00113440 0.00075412
0.00466069 -0.01065912 0.02915767
-21.49113301 0.75711452 5.82929268
0.00013656 0.00035778 -0.00050215
0.02311721 -0.01625008 -0.01125428
-5.35424746 8.37203257 -26.68925387
0.00165901 0.00077895 -0.00066674
0.02865057 0.00349162 0.00207751
-5.28456114 7.82354440 -23.70390498
0.00028103 0.00043340 -0.00069314
-0.00173843 0.00347769 -0.02200196
4.13599540 1.91709187 -2.12405442
-0.00038384 -0.00070218 0.00070028
-0.01684432 -0.02081093 0.00476240
1.54080687 0.27646371 -1.51479119
-0.00104984 -0.00038878 -0.00026936
0.01673800 0.01046187 -0.00784072
14.74925870 7.64199361 5.88753156
-0.00070430 -0.00037832 0.00023544
-0.00039280 0.00024684 0.00723562
15.03372633 9.86629948 3.94140337
-0.00068630 0.00093173 -0.00048305
0.01847338 0.04899239 0.00237103
1.68866641 -11.69353263 -13.98198808
0.00031396 0.00015840 -0.00009322
0.01216089 0.00628080 0.00322899
-13.59312719 14.72658492 22.85280225
-0.00005608 0.00013519 0.00013597
-0.00117922 0.00100269 0.00075498
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02479422
0.32637522
434.87861235
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1331097891
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3496768058 (a.u.)
total exchange computation time: 2.6054089069 s
-154.1004555433
-931.35543706
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1331097891
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3494444194 (a.u.)
total exchange computation time: 2.6046688557 s
-154.1039261964
Anderson extrapolation: theta=1.3802480149 (1.3802480149)
-931.35568441
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1331097891
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3490690020 (a.u.)
total exchange computation time: 2.6050679684 s
-154.1092103655
Anderson extrapolation: theta=0.0696259696 (0.0696259696)
-931.35584402
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1331097891
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3490018365 (a.u.)
total exchange computation time: 2.6040279865 s
-154.1100113208
Anderson extrapolation: theta=2.3679381665 (2.0000000000)
-931.35585452
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1331097891
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3488659131 (a.u.)
total exchange computation time: 2.6041529179 s
-154.1116317469
Anderson extrapolation: theta=0.4639960296 (0.4639960296)
-931.35586999
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1331097891
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3488221384 (a.u.)
total exchange computation time: 2.6039152145 s
-154.1121989929
Anderson extrapolation: theta=0.9688040097 (0.9688040097)
-931.35587546
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1331097891
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3488124523 (a.u.)
total exchange computation time: 2.6040649414 s
-154.1124355733
Anderson extrapolation: theta=0.5647997066 (0.5647997066)
-931.35587964
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1331097891
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3488381195 (a.u.)
total exchange computation time: 2.6045558453 s
-154.1122749660
Anderson extrapolation: theta=0.6996939553 (0.6996939553)
-931.35588148
-66.624777 -170.889713 -245.055034
-137.098773 458.415830 -807.114422
-203.723551 287.526117 -1052.169457
1109.610345
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1331097891
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3488781723 (a.u.)
total exchange computation time: 2.6077249050 s
678.60117128
-1083.29470780
89.75847268
-389.33385129
-174.73808911
78.06124436
551.60419304
0.00000000
-931.35588241
-9.10883057 -5.32415085 9.87988584
0.00025364 -0.00004029 0.00023104
-0.02847878 0.01138263 -0.02430672
-13.75021578 5.00638382 8.87736436
0.00004451 -0.00010235 -0.00016630
-0.00447423 0.01186857 -0.01332302
-15.90053527 1.49205828 2.98872680
-0.00011837 -0.00015007 0.00011485
0.01728264 0.01132289 -0.02519929
2.24647371 -19.70246073 13.48676250
-0.00023586 -0.00016712 0.00035502
0.02204575 -0.05170265 0.00790283
10.06211754 20.83097597 0.25059333
0.00027907 -0.00006051 -0.00038226
-0.02159889 -0.03617200 -0.01350664
-11.29598019 12.84807217 15.20508858
0.00000117 0.00002540 0.00011528
0.01878998 -0.02235904 0.00346221
-5.93294326 0.99486296 -12.81986328
0.00017659 -0.00005281 0.00010712
-0.00569502 0.01050429 -0.00687656
-8.88200096 6.79819743 -6.86926118
-0.00007409 0.00014911 -0.00007692
-0.02129751 0.00118112 0.00947391
-7.24382167 -3.82570634 17.97471557
0.00032610 -0.00030172 -0.00019527
-0.00615982 0.00941442 0.01424608
-23.63093325 -7.67929059 -23.78892301
-0.00028502 0.00002511 -0.00043656
0.03404181 0.02006013 -0.00847946
8.70091747 13.37539078 6.70788204
0.00041689 0.00043256 -0.00009798
-0.02688201 0.03918673 -0.04925339
22.94266741 28.70351614 -2.90378471
-0.00028171 -0.00014345 0.00027382
-0.00482047 0.01743479 0.01519347
9.58230799 0.16843671 -14.76504036
0.00018280 0.00023709 -0.00034496
-0.02319322 0.00234575 -0.01297890
-9.26377522 -1.24856852 12.37926320
-0.00039698 -0.00031104 -0.00007886
-0.00783365 0.04243971 0.02774049
-2.20678470 -25.93480293 10.52901611
-0.00002303 -0.00000520 -0.00018468
0.03640654 0.00384701 -0.01439060
-15.35619808 -4.18136140 -7.44019751
-0.00019773 -0.00016401 -0.00040676
0.00692763 0.01142631 0.00849157
-19.38811767 -11.08362556 -18.29299858
0.00002421 -0.00000090 -0.00015827
-0.01381017 0.02343342 -0.00173885
20.93918578 5.54708434 4.74528129
-0.00025974 0.00056002 0.00018118
0.00141756 0.00631762 0.00405873
19.77877006 -11.46746522 -13.24808544
0.00048529 0.00012033 0.00011228
-0.04105270 -0.00110367 0.03051030
-3.32483454 -0.43853395 -6.52053314
-0.00019646 -0.00009385 0.00005885
0.00567711 0.01954727 0.00208371
-3.58160746 -3.09950596 -17.61226763
0.00027643 0.00019652 -0.00007246
0.00049054 -0.02224437 -0.02192327
14.29919517 16.45841119 -21.37516810
0.00002918 0.00012733 -0.00014185
0.01666839 -0.01457410 -0.01386467
-14.55202996 17.83260549 -13.43047706
-0.00002596 0.00034204 -0.00022697
-0.00313856 -0.02865060 -0.02656148
1.29586840 15.01941798 7.70776272
-0.00026691 0.00002367 -0.00039959
0.05142462 -0.02637912 -0.02488625
-4.21630589 -9.19667691 3.83136249
0.00030889 -0.00001893 -0.00003099
0.00622234 -0.00904859 -0.00605870
2.07727547 -5.16114602 2.34155662
-0.00001636 -0.00011876 0.00007202
0.04004172 0.03828686 -0.02659980
9.65398724 7.23612440 4.34434711
-0.00011948 0.00009979 -0.00023226
0.00594187 -0.00048250 -0.00896887
-9.35636897 -10.40180940 -2.48156351
-0.00027386 -0.00009448 0.00038320
-0.02528822 0.02093392 0.00472072
3.37551760 -15.60845042 -13.14494942
-0.00014199 0.00012867 -0.00013405
0.03183574 0.03785275 -0.06517915
3.86544947 -5.70621676 -2.95989134
0.00001721 -0.00009324 0.00055723
0.01337987 -0.01890097 0.02014087
18.35979865 1.82148093 24.41313247
-0.00005699 -0.00013846 -0.00006212
0.01050419 0.00218578 0.00372160
-9.03537849 2.33785797 1.54771440
-0.00006670 -0.00030292 -0.00001945
0.01683333 0.00885808 -0.00067918
-5.76315414 12.33700805 -9.70640017
0.00037745 -0.00048818 0.00010347
-0.01569051 -0.01135429 -0.00780288
1.63421616 13.36090796 -7.48042953
0.00005262 0.00013797 -0.00003651
0.01022649 0.00493462 -0.00745760
-11.32674991 10.04382510 -12.50475600
-0.00023774 -0.00011316 -0.00002219
0.02100164 -0.04958978 0.00484777
7.82860163 3.76550003 14.67606364
-0.00001061 -0.00044939 0.00016741
0.01479433 -0.03001316 0.01311775
-15.23683585 10.10636448 -7.48649872
0.00022937 0.00049470 0.00064034
0.00876860 -0.00391094 -0.00338834
8.38587263 7.61665072 -3.05983678
-0.00046912 -0.00004753 -0.00012793
0.03632783 0.02973465 0.03289578
14.13094063 -20.64347916 -26.60889527
-0.00006139 0.00019191 0.00016278
-0.00658258 -0.01193695 0.03897715
5.14440842 6.70375522 1.88499684
0.00003283 -0.00041582 0.00007379
-0.00712979 -0.00678824 0.01207391
18.18088210 -5.83079849 -7.39617080
-0.00019091 0.00008688 0.00019097
0.00271828 0.02770473 0.01559645
-1.97050029 -2.24879107 -1.94231673
-0.00001914 -0.00014427 0.00028322
-0.02099336 0.04219176 -0.00750318
2.83921390 -2.18255720 -12.02088237
0.00001755 -0.00009186 0.00006378
-0.00663511 0.00191751 0.00361228
19.82498693 9.00818426 -6.00128680
0.00026914 -0.00042763 0.00010414
0.02367733 -0.02441044 -0.01196263
-7.73214361 5.69078905 8.55471912
-0.00003885 -0.00023229 -0.00030583
0.01633610 -0.01447640 0.01462854
-1.68551744 -16.15623294 11.34371312
0.00010272 -0.00010530 -0.00003747
-0.00750631 0.01617920 -0.00556692
7.65345724 -0.16270446 -4.71792751
-0.00000046 0.00063704 -0.00005242
-0.02210541 0.01212269 -0.02608056
-1.10057931 -12.30177630 0.73423090
-0.00021016 -0.00026010 0.00014409
-0.00250021 -0.00410186 0.01353174
-20.02561747 -0.33088413 5.36632931
-0.00010949 0.00045303 0.00004842
-0.02909749 0.02401503 -0.01436164
-6.35047417 8.06842800 -25.19796549
0.00006161 0.00011679 0.00030701
-0.00369958 -0.00993036 0.02848159
2.29384848 1.92386450 -1.92651339
-0.00009832 0.00001016 -0.00014677
0.00481973 -0.00707868 0.00298352
14.56189288 8.20670237 4.15824378
-0.00016370 -0.00006438 -0.00003095
-0.01164675 -0.03709252 -0.01581621
-8.20687336 -6.84568117 9.97509662
-0.00064801 0.00043864 -0.00091283
0.01947926 -0.02613517 0.00462880
-10.43466070 -5.65229304 8.61227849
-0.00004332 -0.00032529 0.00055386
0.01312779 0.00406433 0.01243326
-13.26711286 5.39468601 7.11220239
-0.00025783 -0.00084394 -0.00026598
-0.00001388 0.00569086 0.01233767
-13.23080619 3.28818334 9.08609289
0.00079871 0.00064362 0.00091401
-0.00008954 -0.01292287 -0.00118877
-14.55111494 1.55928150 4.18137957
-0.00053101 0.00021905 -0.00035501
0.01074427 0.00279117 0.01274609
-17.30303752 0.87324427 3.92302967
0.00087191 0.00055238 0.00012664
-0.02716446 -0.01005784 0.01120434
2.26004322 -21.48427725 12.62352183
-0.00033105 0.00026648 -0.00066528
0.00975109 0.05120107 0.02569817
3.58172390 -19.77255408 14.87702016
-0.00015511 0.00005472 -0.00096777
-0.03369589 -0.00385755 -0.03706580
9.21238353 19.15624664 -0.04662853
0.00100961 0.00024022 -0.00000304
0.02626733 0.00838404 0.00118864
8.72332226 21.50169429 1.27007435
-0.00021079 -0.00043142 -0.00065378
-0.00947249 0.01973067 0.00989730
-10.48612448 12.11181085 16.73807150
-0.00066869 0.00039206 -0.00084309
-0.00768930 -0.00361783 -0.00446286
-11.14150418 14.52716495 15.74905750
0.00020103 0.00081383 0.00017699
-0.00454855 0.03704560 -0.00213990
-6.10627525 0.14521147 -14.39990828
-0.00025993 -0.00025458 0.00002195
0.00569983 -0.00700338 -0.01199396
-7.39001237 0.38767761 -11.85975637
-0.00119978 -0.00056745 -0.00029765
0.00318156 -0.00635949 0.01718874
-7.70440432 8.14571573 -7.19481381
0.00043819 -0.00053192 -0.00131920
-0.00114526 -0.00159104 -0.00089570
-9.75604772 7.30727742 -5.27948486
0.00047158 0.00113143 -0.00072046
0.01454848 -0.00889801 -0.02338342
-7.57361525 -1.99835698 17.92361915
0.00006345 0.00107478 0.00000276
0.00368623 -0.01240579 0.00358321
-7.18575484 -4.34895164 19.78652735
-0.00034764 -0.00066691 0.00034343
-0.00481114 0.00031079 -0.01848851
-24.28520399 -5.97945756 -23.84203760
0.00051326 0.00004994 -0.00066534
-0.02108768 0.00370275 0.00463040
-21.87360560 -7.03676588 -24.06501469
-0.00012474 -0.00125169 -0.00061027
-0.01142341 -0.02412351 0.00416773
8.65816293 13.25532492 4.81309036
-0.00003082 0.00078348 0.00107340
0.00349203 0.00202074 0.02770978
9.73266784 12.11067632 7.40130572
0.00002062 0.00064077 0.00084305
0.01795099 -0.03212720 0.01773991
24.02564231 27.25940381 -2.59618651
-0.00121191 -0.00037485 0.00002879
-0.01409171 -0.00369973 0.00196628
22.31843991 29.35832712 -1.24766836
-0.00105447 -0.00089517 0.00043544
0.00894582 -0.00313883 -0.02285898
11.14161546 -0.26187225 -14.02755758
0.00078371 0.00099248 0.00115715
0.01994287 -0.00537536 0.01046316
8.52477813 -1.31402152 -14.38312736
0.00094802 0.00026143 0.00092554
0.00614993 0.00005441 0.00141960
-9.51999481 -1.20546139 14.22363292
0.00059385 0.00080237 -0.00043125
0.00333164 -0.00661580 -0.02524466
-9.15924502 -2.90899828 11.69322367
0.00081699 -0.00030060 -0.00117795
-0.00066199 -0.02801424 0.00154013
-3.15556329 -26.57187777 11.93462833
-0.00030748 -0.00037662 0.00016927
-0.01704308 -0.00505143 0.00848918
-3.20613673 -25.43339730 9.12440479
0.00032987 0.00056076 0.00017809
-0.01369720 0.00220160 -0.00440528
-15.00159105 -2.43266043 -6.80035857
-0.00011007 -0.00037188 -0.00033290
0.00176978 -0.01703966 0.00375625
-16.17299123 -3.87981310 -9.00741271
-0.00056076 -0.00029549 -0.00032832
-0.01214322 0.00102378 -0.01098934
-19.25599290 -9.30624803 -18.98518500
-0.00025516 -0.00060521 0.00080287
0.01052773 -0.03895277 0.00720110
-18.25748964 -12.39281128 -18.92829306
0.00019686 -0.00046560 -0.00000390
0.00632550 0.01366993 -0.00837904
22.47806935 6.22546687 4.07441142
0.00023809 -0.00075293 0.00015189
0.01011080 -0.00449451 -0.00477986
20.16574515 7.06814271 5.39273903
-0.00124088 -0.00055698 -0.00004287
-0.00938391 -0.00388868 0.00010313
18.48132885 -11.13460974 -11.78601994
0.00043400 0.00001969 -0.00099771
0.02792660 -0.00165303 -0.03371195
19.14751312 -10.44355895 -14.61907286
0.00035103 0.00082932 0.00075171
-0.00397914 0.00576801 -0.00243820
-1.75986328 0.48763044 -6.49883947
0.00057158 -0.00035698 0.00031148
0.01579111 -0.00410323 -0.00705171
-4.41215485 0.99286879 -6.17540539
0.00030624 0.00028266 0.00019095
-0.01342376 -0.00982401 0.00188949
-3.37129899 -4.31969162 -19.03126337
-0.00053590 0.00063773 -0.00047589
-0.00030322 0.01885193 0.02639216
-3.64401298 -1.49634365 -18.48738994
0.00024877 -0.00011406 0.00013134
0.00218600 0.01141453 -0.00230839
14.32623960 18.05369027 -20.57455626
0.00106180 0.00048496 -0.00046371
-0.00882831 0.01319422 0.01345842
12.58640831 15.77082222 -21.34230564
0.00078218 -0.00015690 0.00066359
-0.00280660 0.00808652 0.00258898
-14.01485106 17.22120330 -11.81900285
0.00020032 0.00037141 0.00090622
0.00412410 0.00167654 0.01369155
-14.29033693 16.20892434 -14.51058639
0.00058373 -0.00018970 -0.00081536
-0.00516519 0.02048912 0.01568733
1.89058457 15.97066859 6.27409807
0.00027200 -0.00033039 -0.00045907
0.01298378 -0.01020183 -0.01056029
0.01713429 16.08770481 8.11486344
-0.00022809 -0.00038853 -0.00031198
-0.06344310 0.03356291 0.03523136
-4.52697187 -7.81952402 2.63424382
-0.00020862 0.00046783 -0.00008652
-0.00088640 -0.01892667 0.00589768
-3.21202844 -10.52192942 2.94190777
0.00034347 -0.00071172 -0.00088376
-0.01176511 0.01944154 0.00217167
1.54985507 -3.60465997 3.14096997
-0.00003468 0.00165264 0.00059426
-0.01246333 -0.00053123 0.01348153
3.34833261 -4.24931094 1.18845914
0.00057730 -0.00011086 -0.00030505
-0.02643767 -0.03962123 0.01936008
8.19477670 7.40445940 3.23272857
0.00133516 -0.00097595 -0.00032888
0.00459933 -0.00039329 -0.00011185
11.20711206 7.91646956 3.54879865
-0.00047985 -0.00012249 0.00026365
-0.01012748 -0.00749960 0.01164377
-8.30191452 -11.81420711 -2.13378721
-0.00061386 -0.00174791 0.00000545
0.02204053 -0.02093973 -0.00201965
-10.17794280 -9.90695812 -0.91818776
0.00043968 0.00025414 -0.00012941
-0.00366138 0.00298293 -0.00764300
4.90596750 -16.54418954 -13.54842487
-0.00121378 -0.00120572 0.00001462
0.00117954 0.00087174 0.01491114
2.48102189 -16.24709973 -11.83577272
0.00058402 -0.00041181 -0.00051594
-0.03117549 -0.03743777 0.05387633
4.41135729 -4.74701846 -4.39883830
0.00066470 0.00004607 -0.00017218
0.01210678 0.00208529 -0.00615998
5.40770475 -6.55716561 -2.21831164
0.00026544 0.00084639 -0.00035781
-0.02220541 0.01566471 -0.01446553
16.58958509 2.30073167 24.59107029
-0.00041161 -0.00105463 -0.00024209
0.00024734 0.00235296 -0.00564918
19.39784018 3.26517240 25.00832780
-0.00001917 -0.00021722 -0.00111662
-0.01328491 -0.01023950 -0.00176668
-9.71175273 0.64854227 1.34045896
-0.00105328 -0.00002711 0.00031638
-0.01198813 0.00309154 0.00580102
-10.02806615 3.37099311 2.68914072
-0.00055577 -0.00028467 -0.00020186
-0.00247382 -0.00682436 -0.00544178
-5.12906074 13.75089391 -8.69405734
-0.00022039 0.00016852 -0.00017731
0.00410923 0.00143932 0.00589206
-7.55998607 12.10966304 -9.35657649
-0.00029453 -0.00023014 -0.00060049
0.00908809 0.00434365 -0.00010614
1.30636196 11.70248469 -6.78610909
-0.00059940 0.00016253 0.00060605
-0.00375389 0.01059604 0.00976387
2.52092662 14.41441363 -6.24584398
0.00133490 -0.00065216 0.00094883
-0.00659561 -0.01713253 -0.00069189
-10.91395248 8.18196344 -12.83084430
-0.00061744 0.00027973 0.00045196
-0.01123888 0.03991188 -0.00219841
-11.67368359 9.92511764 -10.71591185
-0.00024386 -0.00006270 0.00055871
-0.00620491 0.00833952 0.00025056
7.11014395 5.18797452 13.90388884
-0.00021515 0.00018360 0.00058803
-0.00220275 0.02628382 -0.01521864
9.63952903 3.71102063 14.44166202
-0.00035889 0.00075035 -0.00077761
-0.00579568 0.01310817 -0.00678447
-14.15891627 11.61890818 -7.68906250
0.00035328 0.00049745 -0.00074055
-0.00276164 -0.00960679 0.00844218
-16.88369323 10.56345921 -8.02871599
0.00008347 -0.00041062 -0.00019367
-0.01364303 0.00680905 -0.00418416
9.34177911 9.24441409 -2.80409271
0.00051939 -0.00046799 0.00014174
-0.01062496 -0.02990845 0.01028376
7.58487503 8.19360513 -4.52861639
-0.00031166 -0.00069351 0.00043153
-0.02609553 0.00312792 -0.03762353
14.33100998 -19.09717275 -27.48984348
-0.00071926 -0.00014103 0.00023814
-0.00155539 0.02421907 -0.00964630
13.78915830 -20.14743919 -24.81020447
0.00081104 0.00050892 0.00025340
0.00531614 -0.00376825 -0.02730819
5.26265020 4.85898506 2.06403017
0.00093248 0.00059892 0.00068340
0.00226306 0.00377999 0.00364330
5.43381891 7.02062909 0.13700477
0.00016036 0.00052276 0.00111663
0.00581376 0.00478973 -0.01859649
19.78923324 -5.08944539 -6.84507464
0.00008337 0.00106492 0.00060566
-0.01120622 -0.01783139 -0.00423148
16.92983951 -4.86422011 -6.29912326
-0.00041816 0.00020745 0.00022986
0.00824685 -0.01417826 -0.00785167
-2.56158186 -0.64600223 -1.10921609
0.00009785 0.00002086 0.00056541
0.00931534 -0.02816576 -0.00039384
-2.70236679 -1.85274685 -3.66730026
-0.00122896 -0.00064731 -0.00026374
0.01107643 -0.00963705 0.01724703
3.89026984 -3.57341888 -12.57204828
0.00066919 -0.00081265 -0.00041408
0.00393220 -0.00153155 0.00063731
1.13310669 -2.89399617 -11.81183262
-0.00010410 0.00021225 0.00006568
0.00065998 0.00138195 0.00013950
19.91949299 8.75257806 -7.85047448
0.00010418 0.00007675 0.00039366
0.00058769 -0.00286074 0.02263590
21.11741054 7.77835053 -5.20161724
-0.00001892 -0.00045154 0.00012230
-0.02407619 0.02216916 -0.01295621
-7.33994641 3.81399843 8.54555004
-0.00060163 0.00126142 -0.00065480
0.00013789 0.02350724 0.00208999
-6.71691526 6.25966954 9.99429594
0.00008661 -0.00013098 -0.00054913
-0.01147573 -0.00292465 -0.00992113
-1.55654003 -17.93440638 11.59361011
0.00100306 -0.00017294 0.00012018
-0.00049960 -0.01113279 0.00035136
-2.69600422 -15.85235967 9.83716317
0.00042020 -0.00023714 -0.00041325
0.00991680 -0.00430445 0.00716142
8.65026566 -0.29135043 -3.25440580
0.00121905 0.00005589 0.00070877
0.01984567 0.00164343 0.02337701
7.78448725 1.52524721 -5.54419015
0.00020473 0.00006052 -0.00053276
-0.00084950 -0.01203650 0.01174271
0.27835480 -11.94070967 1.94765232
0.00011970 0.00036192 -0.00008100
-0.00501433 0.00323973 -0.00994694
-1.45980659 -10.70897475 -0.13330925
-0.00040297 0.00000662 -0.00011801
0.00697469 0.00271043 -0.00686877
-19.30252992 -0.69737974 6.97416006
-0.00029511 0.00109161 0.00086635
0.00335694 -0.01028559 0.02577807
-21.48837619 0.76198322 5.82141551
0.00022617 0.00029453 -0.00054708
0.02074502 -0.01470942 -0.01073529
-5.32848431 8.38382379 -26.69919135
0.00176049 0.00078939 -0.00063839
0.02102256 0.00161893 0.01179977
-5.28039896 7.83015198 -23.71497636
0.00027907 0.00044599 -0.00077240
0.00077920 0.00268563 -0.01679192
4.12972164 1.90592140 -2.11340434
-0.00044684 -0.00078648 0.00071862
-0.01399580 -0.02045005 0.00421532
1.52557223 0.27095259 -1.51907187
-0.00097779 -0.00033789 -0.00030332
0.01853090 0.01444753 -0.00878389
14.73868215 7.63632632 5.89128486
-0.00070572 -0.00037436 0.00026076
-0.00030252 0.00169188 0.00516091
15.02399796 9.88177668 3.93423030
-0.00061620 0.00111253 -0.00046957
0.01583937 0.03951361 0.00422736
1.69340844 -11.69113973 -13.98337774
0.00031829 0.00016065 -0.00009208
0.01205547 0.00628471 0.00314057
-13.59397041 14.72861451 22.85484308
-0.00005634 0.00013544 0.00013616
-0.00103946 0.00115796 0.00089806
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02418057
0.33170184
441.97607361
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1331097891
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3470004197 (a.u.)
total exchange computation time: 2.6037340164 s
-154.0893548149
-931.36012831
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1331097891
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3467653654 (a.u.)
total exchange computation time: 2.6059880257 s
-154.0923144851
Anderson extrapolation: theta=1.3678051635 (1.3678051635)
-931.36036191
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1331097891
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3463279212 (a.u.)
total exchange computation time: 2.6071729660 s
-154.0970757662
Anderson extrapolation: theta=0.0641965681 (0.0641965681)
-931.36050720
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1331097891
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3462043178 (a.u.)
total exchange computation time: 2.6043860912 s
-154.0980128467
Anderson extrapolation: theta=2.2151856755 (2.0000000000)
-931.36051485
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1331097891
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3459201150 (a.u.)
total exchange computation time: 2.6042351723 s
-154.1000406606
Anderson extrapolation: theta=0.3728692208 (0.3728692208)
-931.36052463
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1331097891
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3458051012 (a.u.)
total exchange computation time: 2.6053428650 s
-154.1007421315
Anderson extrapolation: theta=1.1945141878 (1.1945141878)
-931.36052719
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1331097891
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3456862413 (a.u.)
total exchange computation time: 2.6050319672 s
-154.1013383609
Anderson extrapolation: theta=0.4490525988 (0.4490525988)
-931.36052918
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1331097891
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3456557311 (a.u.)
total exchange computation time: 2.6049108505 s
-154.1013618861
Anderson extrapolation: theta=0.8522852329 (0.8522852329)
-931.36052975
-66.582548 -170.889566 -245.078492
-137.081186 458.416984 -807.146788
-203.663734 287.527418 -1052.225279
1109.652635
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1331097891
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3456488206 (a.u.)
total exchange computation time: 2.6068649292 s
678.55026501
-1083.18037129
89.75904629
-389.41406145
-174.72975969
77.99856264
551.60419304
0.00000000
-931.36052995
-9.10513589 -5.32471126 9.88325770
0.00023786 -0.00003298 0.00021829
-0.03286930 0.01705055 -0.02527776
-13.74956542 5.00489438 8.87481854
0.00004197 -0.00009568 -0.00017298
-0.00539736 0.01404365 -0.01267207
-15.90224416 1.48985091 2.99035229
-0.00010876 -0.00014363 0.00010019
0.02008698 0.01372123 -0.03179632
2.24302078 -19.70516699 13.49211830
-0.00022552 -0.00019344 0.00035786
0.01816300 -0.05065240 0.00311865
10.06622026 20.82992883 0.24480732
0.00026815 -0.00007808 -0.00038886
-0.02087630 -0.03216011 -0.01216788
-11.29589015 12.84836693 15.20683121
0.00001023 0.00001667 0.00011609
0.01645079 -0.01157735 -0.00034202
-5.93031642 0.99411125 -12.81828304
0.00017207 -0.00004846 0.00010406
-0.01188556 0.00642417 -0.00503321
-8.88319440 6.80043862 -6.87037845
-0.00008455 0.00014959 -0.00007290
-0.01939326 0.00067852 0.00616849
-7.23895394 -3.83019580 17.97184142
0.00032245 -0.00029483 -0.00018722
-0.00803076 0.01736152 0.01705754
-23.63507717 -7.67883655 -23.79550414
-0.00026771 0.00003463 -0.00044089
0.03326972 0.01697539 -0.00836757
8.70706719 13.38203031 6.70622237
0.00040316 0.00045290 -0.00012120
-0.02653602 0.03991624 -0.04105878
22.93842311 28.70143169 -2.89961886
-0.00028482 -0.00013384 0.00028165
-0.00727034 0.01992277 0.01525862
9.58496056 0.17200215 -14.77026486
0.00017327 0.00023793 -0.00035063
-0.01387706 0.00091714 -0.00907214
-9.26976009 -1.25307038 12.37818725
-0.00040080 -0.00028982 -0.00006622
-0.00705008 0.04006269 0.02142617
-2.20698976 -25.93486612 10.52619045
-0.00000453 -0.00000388 -0.00019063
0.03554095 0.00130701 -0.00874624
-15.35913738 -4.18377746 -7.44626608
-0.00019428 -0.00015838 -0.00040259
0.00649070 0.01046626 0.00771622
-19.38780787 -11.08354869 -18.29537937
0.00001731 0.00000922 -0.00015874
-0.01298550 0.01591103 -0.00006933
20.93529517 5.55550904 4.74801461
-0.00025872 0.00056177 0.00018283
0.00255414 0.00049018 0.00235388
19.78589099 -11.46566447 -13.24628360
0.00046445 0.00011979 0.00012728
-0.03995397 -0.00101479 0.02784393
-3.32775953 -0.43986631 -6.51964233
-0.00019260 -0.00008330 0.00005997
0.00933352 0.02147470 0.00227016
-3.57745916 -3.09664395 -17.61343909
0.00027657 0.00018469 -0.00008341
0.00008379 -0.02374911 -0.02067620
14.29969712 16.46026489 -21.37734928
0.00003889 0.00012065 -0.00014885
0.02111223 -0.01139604 -0.01338680
-14.55243148 17.83762563 -13.43398414
-0.00002681 0.00032614 -0.00023902
-0.00016708 -0.03319951 -0.02026932
1.29206306 15.01967122 7.70167291
-0.00024013 0.00000982 -0.00041243
0.05271654 -0.02744999 -0.02504935
-4.21164860 -9.19699579 3.83087424
0.00031247 -0.00002384 -0.00003514
0.00772606 -0.01004122 -0.01008283
2.07718452 -5.16277972 2.34253429
0.00000365 -0.00009614 0.00005945
0.03775882 0.04965466 -0.02226235
9.65221796 7.23761945 4.34082857
-0.00011555 0.00009896 -0.00023518
0.00933017 -0.00275645 -0.00236032
-9.36057440 -10.40314579 -2.47579728
-0.00028504 -0.00008580 0.00038483
-0.01819444 0.01281672 0.00159734
3.37351058 -15.60637429 -13.14721163
-0.00012536 0.00014831 -0.00016788
0.03283227 0.03850695 -0.06635513
3.86575918 -5.70768829 -2.95145527
0.00002424 -0.00010155 0.00056557
0.01395221 -0.01341875 0.01232513
18.35898439 1.81941248 24.41221510
-0.00005199 -0.00013796 -0.00006056
0.00893349 -0.00023714 0.00234364
-9.03631410 2.33334828 1.54742003
-0.00005848 -0.00029841 -0.00001949
0.01514022 0.00867916 0.00051694
-5.75755295 12.32964152 -9.70487822
0.00036856 -0.00049392 0.00009980
-0.01888945 -0.01097676 -0.00647788
1.63504488 13.36299653 -7.48100594
0.00005852 0.00014061 -0.00003888
0.01273269 0.00533259 -0.00174675
-11.33023504 10.04193638 -12.50507018
-0.00022736 -0.00013790 -0.00001836
0.01936241 -0.04661478 0.01006973
7.82849961 3.75864335 14.67862532
-0.00000384 -0.00046351 0.00017331
0.01151865 -0.02487779 0.00982331
-15.23336150 10.11376990 -7.47690673
0.00023365 0.00049302 0.00063829
0.00788563 -0.00263488 -0.00455480
8.37897590 7.61605249 -3.06162881
-0.00044966 -0.00003279 -0.00010954
0.03936582 0.02756746 0.03862184
14.12999432 -20.64064659 -26.60630320
-0.00006474 0.00018518 0.00018319
-0.00643416 -0.01420629 0.04040162
5.14487340 6.69749167 1.88615027
0.00002877 -0.00041793 0.00008168
-0.00865149 -0.00140508 0.01862559
18.17802899 -5.82938839 -7.39324603
-0.00018851 0.00010174 0.00019935
0.00662019 0.03005947 0.01695810
-1.97086830 -2.25079236 -1.93809734
-0.00003040 -0.00012233 0.00027855
-0.02281576 0.04311025 -0.01067565
2.83945149 -2.18392775 -12.01991169
0.00001536 -0.00009219 0.00006507
-0.00185724 -0.00318926 0.00137299
19.82911539 9.00167568 -5.99977083
0.00028091 -0.00043984 0.00009862
0.02207222 -0.02307647 -0.00950823
-7.73266337 5.68724882 8.55018816
-0.00003103 -0.00023761 -0.00029843
0.01407994 -0.00621995 0.01414351
-1.68400559 -16.15775010 11.34312958
0.00009881 -0.00009726 -0.00004033
-0.00770189 0.01511241 -0.00554955
7.65336510 -0.15310208 -4.71881441
-0.00001016 0.00064217 -0.00006297
-0.01562023 0.00780890 -0.01496007
-1.10374139 -12.30569362 0.73644441
-0.00021139 -0.00026136 0.00015090
-0.00227544 -0.00081526 0.01294775
-20.02737210 -0.32399609 5.36700028
-0.00012328 0.00046466 0.00004198
-0.02452744 0.02121320 -0.01068233
-6.34956427 8.07014151 -25.19325042
0.00006080 0.00011237 0.00031782
0.00052998 -0.00723880 0.01355132
2.29239227 1.92398957 -1.92870346
-0.00009711 0.00000555 -0.00014492
-0.00012146 -0.01085014 0.00420987
14.55939242 8.20559352 4.15771860
-0.00016893 -0.00008103 -0.00003903
-0.00866941 -0.02761922 -0.01562855
-8.21599663 -6.83990249 9.96154596
-0.00055819 0.00031797 -0.00089193
0.02448783 -0.03293287 0.00560182
-10.43490817 -5.65704781 8.62096736
0.00000902 -0.00030629 0.00060424
0.01249287 0.00523429 0.01222822
-13.27098076 5.38220136 7.10859077
-0.00025738 -0.00082017 -0.00021691
0.00023381 0.00594100 0.01168110
-13.21882836 3.29744164 9.09976660
0.00079974 0.00058598 0.00090964
0.00059549 -0.01529438 -0.00095243
-14.55875084 1.56265281 4.17644507
-0.00047890 0.00023080 -0.00029714
0.01476456 0.00295803 0.01557843
-17.29079125 0.88122179 3.92527260
0.00074779 0.00050563 0.00017999
-0.03359351 -0.01282967 0.01491192
2.25537628 -21.47871106 12.61433006
-0.00029068 0.00047449 -0.00055914
0.01000932 0.05062108 0.02625734
3.57836468 -19.77185146 14.86136787
-0.00028534 0.00003790 -0.00111060
-0.03005142 -0.00437529 -0.03285099
9.22833259 19.16010690 -0.04663776
0.00111346 0.00026642 0.00000002
0.02456944 0.00443762 0.00030998
8.71987019 21.49582753 1.26057090
-0.00024815 -0.00035094 -0.00061410
-0.00881852 0.01966898 0.00952710
-10.49639040 12.11758094 16.72528842
-0.00069373 0.00037107 -0.00084927
-0.00456832 -0.00665982 0.00143541
-11.13862816 14.54050765 15.75164679
0.00018133 0.00094968 0.00016356
-0.00509086 0.02945092 -0.00443680
-6.10999955 0.14117822 -14.39994661
-0.00023523 -0.00028079 -0.00002452
0.00638973 -0.00582977 -0.01075055
-7.40791150 0.37897096 -11.86369448
-0.00117507 -0.00058767 -0.00023294
0.00891336 -0.00353640 0.01448897
-7.69786651 8.13768811 -7.21462920
0.00043287 -0.00053896 -0.00132187
-0.00146201 -0.00185145 -0.00041200
-9.74852826 7.32397622 -5.29100829
0.00052772 0.00109667 -0.00080951
0.01293415 -0.00811808 -0.02020538
-7.57255060 -1.98261542 17.92377042
0.00008151 0.00100635 0.00001800
0.00515466 -0.02109271 0.00387358
-7.19111679 -4.35894581 19.79111228
-0.00036718 -0.00066367 0.00026188
-0.00475736 0.00127531 -0.02142981
-24.27815128 -5.97859501 -23.85187574
0.00042619 0.00006881 -0.00064614
-0.02153147 0.00553285 0.00476812
-21.87582676 -7.05628052 -24.07404107
-0.00016892 -0.00134814 -0.00059341
-0.01020425 -0.02308516 0.00408429
8.65780757 13.26713912 4.83004046
-0.00001581 0.00078919 0.00117141
0.00385561 0.00077336 0.02026576
9.73352728 12.11930345 7.41449508
0.00009284 0.00051014 0.00091389
0.01740043 -0.03181989 0.01693895
24.00703182 27.25366765 -2.59569447
-0.00126495 -0.00039554 0.00003775
-0.01187043 -0.00642624 0.00242373
22.30289702 29.34480337 -1.24183729
-0.00101705 -0.00090779 0.00034087
0.00937038 -0.00304049 -0.02343082
11.15398218 -0.24714983 -14.00987971
0.00084901 0.00097569 0.00119212
0.01202348 -0.00284274 0.00665599
8.53918684 -1.31009840 -14.36920080
0.00097031 0.00025915 0.00093081
0.00476114 -0.00117159 0.00116119
-9.51098494 -1.19362850 14.21639062
0.00060645 0.00077290 -0.00052772
0.00283323 -0.00781410 -0.02197774
-9.14701038 -2.91436575 11.67560154
0.00081383 -0.00040794 -0.00116574
-0.00088830 -0.02452883 0.00443775
-3.16069771 -26.57768183 11.93742756
-0.00037228 -0.00039393 0.00019707
-0.01467660 -0.00342195 0.00511516
-3.20160844 -25.42491838 9.12694113
0.00027076 0.00057144 0.00015624
-0.01523810 0.00302524 -0.00629020
-15.00318794 -2.43876072 -6.80523700
-0.00010260 -0.00043885 -0.00031729
0.00189111 -0.01574302 0.00388424
-16.18177478 -3.88421412 -9.01267429
-0.00060982 -0.00029104 -0.00037115
-0.01187204 0.00115384 -0.00997638
-19.25949773 -9.31651976 -18.97292133
-0.00021034 -0.00075356 0.00082698
0.01141197 -0.03366816 0.00460344
-18.25434295 -12.39937642 -18.92860839
0.00021953 -0.00040544 -0.00003640
0.00477233 0.01578149 -0.00752751
22.48195059 6.21403519 4.07654334
0.00027751 -0.00076804 0.00013408
0.00918183 -0.00290156 -0.00394074
20.14684433 7.05966890 5.39209913
-0.00127967 -0.00056405 -0.00004109
-0.00960013 0.00042831 0.00076948
18.48869466 -11.13436502 -11.80201864
0.00054497 0.00001276 -0.00112806
0.02639128 -0.00174119 -0.03009549
19.15265670 -10.43094240 -14.60787196
0.00033617 0.00085242 0.00073961
-0.00329747 0.00553867 -0.00348493
-1.75080564 0.48215004 -6.49438337
0.00062820 -0.00037799 0.00028275
0.01192082 -0.00618286 -0.00701131
-4.40797264 0.99680759 -6.17248328
0.00025178 0.00024271 0.00019850
-0.01323423 -0.00972933 0.00180558
-3.37934673 -4.30954800 -19.03759302
-0.00053616 0.00071239 -0.00036893
0.00017525 0.01769332 0.02596558
-3.64021448 -1.49770482 -18.48549055
0.00025754 -0.00006224 0.00012026
0.00210646 0.01395289 -0.00311787
14.34189608 18.06136893 -20.58109945
0.00102462 0.00053458 -0.00041046
-0.00937295 0.01109533 0.01260498
12.59805500 15.76871658 -21.33227247
0.00076267 -0.00012575 0.00067478
-0.00674393 0.00716166 0.00289023
-14.01171982 17.22682577 -11.80498997
0.00021182 0.00038321 0.00094522
0.00150489 0.00410026 0.00539800
-14.28173922 16.20670674 -14.52233602
0.00056195 -0.00010203 -0.00074636
-0.00549692 0.02242581 0.01808838
1.89506242 15.96540013 6.26688836
0.00032323 -0.00037145 -0.00050102
0.01209609 -0.00989958 -0.00997482
0.01176886 16.08290532 8.11126339
-0.00048807 -0.00024957 -0.00016882
-0.06381919 0.03445817 0.03484702
-4.53012836 -7.81308658 2.63312668
-0.00021061 0.00038536 -0.00005875
-0.00008517 -0.02144329 0.00769781
-3.20723695 -10.53200940 2.92871796
0.00029036 -0.00062531 -0.00087010
-0.01423362 0.02285575 0.00451261
1.54895300 -3.57988670 3.15029698
-0.00007710 0.00162886 0.00063744
-0.00830233 -0.01110544 0.00765490
3.35618200 -4.25218795 1.18447659
0.00046529 -0.00027427 -0.00022232
-0.02839154 -0.04036982 0.02113657
8.21494510 7.38980813 3.22779188
0.00133989 -0.00097526 -0.00033919
-0.00228761 0.00072769 -0.00493295
11.19960393 7.91440242 3.55311018
-0.00051390 -0.00015033 0.00030776
-0.00653762 -0.00612926 0.00994795
-8.31044701 -11.84106748 -2.13376734
-0.00053351 -0.00181943 -0.00000569
0.01729285 -0.01406889 -0.00343545
-10.17145986 -9.90305456 -0.92036314
0.00042048 0.00026828 -0.00015169
-0.00573590 0.00393710 -0.00326273
4.88779696 -16.56224859 -13.54774858
-0.00120552 -0.00120175 0.00007245
0.00286064 0.00107215 0.01339663
2.48882689 -16.25442415 -11.84186085
0.00045122 -0.00056644 -0.00029028
-0.03383184 -0.03825441 0.05658629
4.42169875 -4.74626355 -4.40160977
0.00070807 0.00004817 -0.00018710
0.00912429 -0.00105807 -0.00114486
5.41100585 -6.54398968 -2.22412212
0.00017961 0.00090547 -0.00041199
-0.01980493 0.01325257 -0.01205482
16.58341855 2.28498433 24.58726590
-0.00040870 -0.00104368 -0.00026472
0.00117819 0.00300712 -0.00542842
19.39714559 3.26160040 24.99152430
-0.00007231 -0.00025493 -0.00112138
-0.01272933 -0.00821957 -0.00056136
-9.72791934 0.64823041 1.34538240
-0.00110045 -0.00001418 0.00033890
-0.01109892 0.00323784 0.00522465
-10.03647853 3.36651395 2.68594613
-0.00056349 -0.00031247 -0.00022545
-0.00130676 -0.00678526 -0.00610680
-5.13224063 13.75346578 -8.69653644
-0.00020422 0.00017252 -0.00015439
0.00380383 0.00051944 0.00532982
-7.56412558 12.10634410 -9.36558705
-0.00025059 -0.00021133 -0.00060191
0.01242128 0.00486452 -0.00059168
1.29725599 11.70524737 -6.77671913
-0.00061412 0.00020944 0.00064273
-0.00345214 0.01236306 0.00818849
2.54074802 14.40410629 -6.23163275
0.00130225 -0.00072645 0.00093766
-0.00938649 -0.01923662 -0.00477539
-10.92355854 8.18738235 -12.82413230
-0.00066197 0.00043629 0.00044070
-0.01055799 0.03672570 -0.00331057
-11.67753164 9.92443262 -10.70752349
-0.00026758 -0.00002771 0.00055129
-0.00540716 0.00879041 -0.00388612
7.10684920 5.19153392 13.91224293
-0.00022222 0.00028370 0.00053056
-0.00125756 0.02271843 -0.01291202
9.63396809 3.72267759 14.42978995
-0.00037789 0.00080213 -0.00080452
-0.00350322 0.01223554 -0.00638529
-14.15370176 11.62607561 -7.69991211
0.00033961 0.00045610 -0.00070493
-0.00392603 -0.01063800 0.00899628
-16.88285928 10.55750854 -8.03174929
0.00003110 -0.00038337 -0.00020995
-0.01199173 0.00653071 -0.00378551
9.34924444 9.23647772 -2.80165156
0.00047367 -0.00059055 0.00018196
-0.01175540 -0.03008462 0.00940823
7.57940042 8.18329834 -4.52329633
-0.00042276 -0.00067562 0.00026892
-0.02828861 0.00562969 -0.04197570
14.32017339 -19.09854599 -27.48656699
-0.00072488 -0.00003713 0.00019495
-0.00119350 0.02663987 -0.01149250
13.80148685 -20.13992091 -24.80724026
0.00083189 0.00049286 0.00014281
0.00488956 -0.00409066 -0.02682810
5.27670677 4.86808465 2.07439286
0.00094185 0.00060249 0.00069733
0.00232478 -0.00203150 0.00317510
5.43640245 7.02861725 0.15318430
0.00018605 0.00054309 0.00102757
0.00676250 0.00516353 -0.02499856
19.79014038 -5.07401792 -6.83611943
0.00002944 0.00098775 0.00058497
-0.01519177 -0.01994776 -0.00589651
16.92381981 -4.86154278 -6.29591596
-0.00038397 0.00014864 0.00019722
0.00849070 -0.01460892 -0.00812588
-2.55982872 -0.64655244 -1.10074694
0.00013602 -0.00009571 0.00056176
0.00936960 -0.02889374 -0.00139290
-2.72046182 -1.86275183 -3.67072779
-0.00118006 -0.00068649 -0.00018511
0.01286012 -0.00954170 0.02124196
3.90042817 -3.58565559 -12.57823987
0.00067550 -0.00080691 -0.00040704
-0.00084409 0.00434067 0.00280600
1.13156538 -2.89077005 -11.81084322
-0.00010127 0.00021676 0.00006589
0.00072433 0.00082429 -0.00003265
19.92107366 8.75364168 -7.84387594
0.00010684 0.00006410 0.00048052
0.00071503 -0.00333044 0.01987987
21.11638894 7.77225671 -5.20017975
-0.00011522 -0.00036266 0.00007045
-0.02306418 0.02133886 -0.01242341
-7.34896659 3.83363999 8.53579207
-0.00059779 0.00134038 -0.00064657
0.00174180 0.01514761 0.00194035
-6.71596777 6.25761527 9.98575498
0.00004071 -0.00014263 -0.00058849
-0.01099235 -0.00278089 -0.00934629
-1.54150951 -17.93734155 11.59542352
0.00100038 -0.00021523 0.00012058
-0.00080983 -0.00957160 -0.00015496
-2.68939729 -15.85604864 9.83118385
0.00046158 -0.00025579 -0.00038275
0.01033773 -0.00482441 0.00776897
8.66915952 -0.29046167 -3.24305790
0.00128583 0.00006527 0.00078275
0.01284249 0.00294791 0.01283435
7.78753218 1.52578613 -5.55182171
0.00020224 0.00001523 -0.00048512
-0.00036976 -0.01013339 0.01157712
0.27999660 -11.93518166 1.94613248
0.00009762 0.00037379 -0.00012265
-0.00579166 0.00257151 -0.01043983
-1.46563741 -10.70879237 -0.13528992
-0.00037363 0.00001295 -0.00014398
0.00738546 0.00038625 -0.00584265
-19.30685367 -0.68132079 6.98794518
-0.00028480 0.00105059 0.00096305
0.00168869 -0.00979174 0.02155919
-21.48434798 0.76595043 5.81288041
0.00030463 0.00023869 -0.00058948
0.01766275 -0.01262649 -0.01002220
-5.30143276 8.39571422 -26.70840567
0.00183169 0.00079244 -0.00057261
0.01383109 -0.00012280 0.02040049
-5.27618903 7.83692416 -23.72707685
0.00028816 0.00045515 -0.00082917
0.00366929 0.00179817 -0.01099779
4.12259013 1.89349761 -2.10249591
-0.00049730 -0.00086916 0.00073467
-0.01070543 -0.02002409 0.00364206
1.51147328 0.26632690 -1.52389089
-0.00089910 -0.00027203 -0.00034073
0.01998809 0.01779097 -0.00952738
14.72808705 7.63076272 5.89535446
-0.00070678 -0.00036448 0.00027737
-0.00021531 0.00314418 0.00296863
15.01524033 9.89967551 3.92731630
-0.00055736 0.00125193 -0.00044815
0.01296191 0.02872009 0.00625774
1.69821518 -11.68871309 -13.98475054
0.00032258 0.00016290 -0.00009098
0.01192652 0.00628292 0.00303831
-13.59481725 14.73064813 22.85688705
-0.00005656 0.00013573 0.00013638
-0.00087368 0.00134435 0.00104042
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02416805
0.33636190
448.18536945
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1310762574
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3430147631 (a.u.)
total exchange computation time: 2.6165261269 s
-154.0833333861
-931.36276332
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1310762574
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3429417699 (a.u.)
total exchange computation time: 2.6192159653 s
-154.0854489215
Anderson extrapolation: theta=1.3925187891 (1.3925187891)
-931.36299808
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1310762574
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3427852069 (a.u.)
total exchange computation time: 2.6187698841 s
-154.0889306472
Anderson extrapolation: theta=0.0728432774 (0.0728432774)
-931.36315012
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1310762574
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3427298978 (a.u.)
total exchange computation time: 2.6191771030 s
-154.0896593998
Anderson extrapolation: theta=2.3338308344 (2.0000000000)
-931.36315999
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1310762574
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3426114161 (a.u.)
total exchange computation time: 2.6164801121 s
-154.0911718826
Anderson extrapolation: theta=0.4329718937 (0.4329718937)
-931.36317391
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1310762574
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3425714835 (a.u.)
total exchange computation time: 2.6205179691 s
-154.0916865768
Anderson extrapolation: theta=0.9626434820 (0.9626434820)
-931.36317826
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1310762574
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3425571075 (a.u.)
total exchange computation time: 2.6174039841 s
-154.0919198027
Anderson extrapolation: theta=0.5304407586 (0.5304407586)
-931.36318134
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1310762574
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3425724691 (a.u.)
total exchange computation time: 2.6183497906 s
-154.0917995060
Anderson extrapolation: theta=0.7216242500 (0.7216242500)
-931.36318248
-66.541455 -170.898151 -245.101245
-137.065694 458.416609 -807.177750
-203.607149 287.518459 -1052.278996
1109.690867
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0553052326
ExchangeOperator: pair fraction: ispin=0: 0.1310762574
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3425991090 (a.u.)
total exchange computation time: 2.6168880463 s
678.51515608
-1083.09750696
89.75832127
-389.47244813
-174.72410609
77.95226250
551.60419304
0.00000000
-931.36318295
-9.10169479 -5.32514012 9.88643455
0.00022016 -0.00002306 0.00020520
-0.03595411 0.02152087 -0.02562598
-13.74895670 5.00351329 8.87217496
0.00003898 -0.00008808 -0.00017926
-0.00624037 0.01554374 -0.01175133
-15.90379808 1.48774939 2.99173248
-0.00009782 -0.00013606 0.00008237
0.02245542 0.01570878 -0.03748886
2.23970797 -19.70826403 13.49749817
-0.00021743 -0.00021901 0.00035812
0.01332983 -0.04877725 -0.00209469
10.07016193 20.82863360 0.23892744
0.00025756 -0.00009337 -0.00039468
-0.02030781 -0.02731972 -0.01045159
-11.29567321 12.84857237 15.20857120
0.00001803 0.00001369 0.00011482
0.01388366 -0.00002321 -0.00456949
-5.92778128 0.99340911 -12.81674162
0.00016443 -0.00004621 0.00010179
-0.01782170 0.00235103 -0.00376923
-8.88453746 6.80268504 -6.87144813
-0.00009389 0.00014975 -0.00007079
-0.01692426 -0.00002811 0.00204417
-7.23414816 -3.83455131 17.96909886
0.00031788 -0.00028413 -0.00017785
-0.00972285 0.02427041 0.01939762
-23.63896442 -7.67825155 -23.80214982
-0.00025095 0.00004262 -0.00044514
0.03187187 0.01407902 -0.00814313
8.71301219 13.38897778 6.70424594
0.00038988 0.00047330 -0.00013972
-0.02507792 0.03941071 -0.03094041
22.93412273 28.69950094 -2.89533529
-0.00028911 -0.00012301 0.00028939
-0.00940926 0.02220970 0.01483821
9.58750607 0.17557466 -14.77555936
0.00016854 0.00023805 -0.00035423
-0.00449967 -0.00045249 -0.00492252
-9.27579935 -1.25726318 12.37727660
-0.00040420 -0.00027006 -0.00005709
-0.00614122 0.03679896 0.01408767
-2.20692063 -25.93491923 10.52329732
0.00001340 -0.00000386 -0.00019374
0.03417562 -0.00125881 -0.00335280
-15.36202661 -4.18611277 -7.45227512
-0.00019114 -0.00015332 -0.00039896
0.00574098 0.00922484 0.00637063
-19.38759824 -11.08334907 -18.29776069
0.00001083 0.00001521 -0.00015826
-0.01221666 0.00739632 0.00191785
20.93142426 5.56393752 4.75076610
-0.00025703 0.00056058 0.00018358
0.00401074 -0.00512935 0.00059262
19.79270369 -11.46387154 -13.24426696
0.00044419 0.00011932 0.00014079
-0.03884034 -0.00080661 0.02470155
-3.33061252 -0.44103299 -6.51873401
-0.00018684 -0.00007179 0.00006118
0.01306148 0.02330277 0.00242899
-3.57331022 -3.09396515 -17.61477005
0.00027649 0.00017233 -0.00009361
-0.00040878 -0.02433130 -0.01898025
14.30036195 16.46203068 -21.37963373
0.00005088 0.00011576 -0.00015556
0.02549418 -0.00761666 -0.01267670
-14.55283429 17.84238964 -13.43764759
-0.00002618 0.00030807 -0.00024780
0.00261192 -0.03707428 -0.01388028
1.28866441 15.01971270 7.69538985
-0.00021340 -0.00000398 -0.00042512
0.05123376 -0.02623553 -0.02428754
-4.20693171 -9.19739214 3.83030820
0.00031674 -0.00002923 -0.00004119
0.00886788 -0.01091132 -0.01341600
2.07738487 -5.16403035 2.34334022
0.00002241 -0.00006810 0.00004914
0.03520573 0.05940252 -0.01785347
9.65052067 7.23909323 4.33729182
-0.00010991 0.00009701 -0.00023468
0.01261327 -0.00482319 0.00430415
-9.36492018 -10.40438330 -2.47001873
-0.00029256 -0.00008136 0.00038479
-0.01104548 0.00442486 -0.00174341
3.37175685 -15.60400110 -13.14998576
-0.00010877 0.00016788 -0.00020150
0.03166351 0.03760769 -0.06437840
3.86617653 -5.70926335 -2.94292412
0.00003140 -0.00010701 0.00056986
0.01390404 -0.00779004 0.00435423
18.35823904 1.81734220 24.41131581
-0.00004787 -0.00013878 -0.00005971
0.00707919 -0.00295671 0.00093516
-9.03713291 2.32890555 1.54712965
-0.00005114 -0.00029406 -0.00001894
0.01342498 0.00826164 0.00163415
-5.75209748 12.32219031 -9.70340623
0.00035803 -0.00049931 0.00009706
-0.02204380 -0.00995436 -0.00417734
1.63597184 13.36512624 -7.48159583
0.00006567 0.00014337 -0.00003841
0.01504366 0.00541333 0.00357817
-11.33357079 10.03968804 -12.50530667
-0.00021787 -0.00016084 -0.00001187
0.01756352 -0.04259033 0.01516141
7.82848646 3.75159475 14.68126279
0.00000113 -0.00047481 0.00017741
0.00781761 -0.01905832 0.00612399
-15.22982631 10.12115499 -7.46734988
0.00023731 0.00049196 0.00063566
0.00632368 -0.00145858 -0.00569947
8.37238287 7.61566693 -3.06312290
-0.00042884 -0.00001918 -0.00008869
0.04157773 0.02537707 0.04245979
14.12899838 -20.63792362 -26.60339945
-0.00006794 0.00017750 0.00020402
-0.00599694 -0.01566823 0.04058393
5.14527164 6.69121729 1.88744739
0.00002393 -0.00041720 0.00009270
-0.01019336 0.00424086 0.02419066
18.17522695 -5.82774639 -7.39019043
-0.00018422 0.00011768 0.00020829
0.01006121 0.03193320 0.01784019
-1.97141233 -2.25246106 -1.93396030
-0.00004249 -0.00010013 0.00027232
-0.02420148 0.04323522 -0.01352515
2.83967475 -2.18532290 -12.01893041
0.00001556 -0.00009502 0.00006523
0.00263520 -0.00781849 -0.00072771
19.83341414 8.99498908 -5.99832822
0.00029174 -0.00045124 0.00009445
0.02003732 -0.02124575 -0.00669780
-7.73307451 5.68366061 8.54576630
-0.00002448 -0.00023841 -0.00029134
0.01138073 0.00313167 0.01341139
-1.68255316 -16.15915068 11.34250323
0.00009487 -0.00008989 -0.00004308
-0.00761489 0.01354870 -0.00514447
7.65315246 -0.14343945 -4.71981673
-0.00001656 0.00064497 -0.00006782
-0.00925301 0.00311014 -0.00390095
-1.10692102 -12.30961722 0.73875781
-0.00021254 -0.00026093 0.00015736
-0.00221363 0.00248718 0.01216997
-20.02931596 -0.31694439 5.36758883
-0.00013449 0.00047471 0.00003754
-0.01905408 0.01786831 -0.00659229
-6.34865028 8.07179918 -25.18843081
0.00006195 0.00010931 0.00032120
0.00394047 -0.00466967 -0.00040955
2.29093513 1.92403094 -1.93086105
-0.00009843 -0.00000084 -0.00014249
-0.00501159 -0.01397494 0.00524295
14.55682509 8.20427159 4.15707284
-0.00017261 -0.00009266 -0.00004703
-0.00565164 -0.01760420 -0.01547105
-8.22361914 -6.83614214 9.94833860
-0.00044965 0.00017225 -0.00086744
0.02864622 -0.03839449 0.00638781
-10.43439001 -5.66148178 8.63040565
0.00005783 -0.00028278 0.00065291
0.01139691 0.00627346 0.01159573
-13.27483432 5.37008080 7.10569503
-0.00025577 -0.00079568 -0.00017044
0.00055306 0.00605043 0.01106766
-13.20681403 3.30576261 9.11338194
0.00080325 0.00052001 0.00090611
0.00112182 -0.01699843 -0.00077110
-14.56548187 1.56620540 4.17246531
-0.00041142 0.00024320 -0.00022855
0.01826748 0.00311313 0.01799987
-17.28060379 0.88841303 3.92842943
0.00059933 0.00044844 0.00024741
-0.03907670 -0.01516212 0.01809063
2.25132277 -21.47004249 12.60674750
-0.00024942 0.00067826 -0.00045178
0.01018811 0.04912427 0.02629978
3.57316372 -19.77141698 14.84370226
-0.00039852 0.00001909 -0.00123424
-0.02534929 -0.00483582 -0.02767124
9.24578742 19.16423912 -0.04662800
0.00120971 0.00027545 -0.00000054
0.02254571 -0.00001446 -0.00058126
8.71587768 21.49116621 1.25165132
-0.00028202 -0.00027139 -0.00057673
-0.00775732 0.01926902 0.00876491
-10.50693630 12.12294288 16.71259331
-0.00070556 0.00033744 -0.00083038
-0.00122174 -0.00980213 0.00781410
-11.13606413 14.55565528 15.75396416
0.00015939 0.00105314 0.00014057
-0.00565317 0.02119333 -0.00681268
-6.11333226 0.13678770 -14.40064380
-0.00020776 -0.00030189 -0.00006517
0.00705911 -0.00449747 -0.00914690
-7.42526437 0.37004757 -11.86674461
-0.00112747 -0.00059664 -0.00017884
0.01438649 -0.00085771 0.01199468
-7.69141829 8.12954701 -7.23446983
0.00042611 -0.00054724 -0.00132257
-0.00184397 -0.00220484 0.00006804
-9.74021610 7.34017749 -5.30377003
0.00057669 0.00106569 -0.00088442
0.01103850 -0.00704608 -0.01646730
-7.57117003 -1.96816655 17.92415909
0.00010510 0.00090488 0.00003425
0.00639456 -0.02857878 0.00408072
-7.19677031 -4.36886182 19.79438386
-0.00038641 -0.00065681 0.00016947
-0.00465495 0.00208467 -0.02380488
-24.27241815 -5.97739338 -23.86142167
0.00033797 0.00009436 -0.00062640
-0.02165529 0.00697550 0.00489032
-21.87867330 -7.07720995 -24.08281714
-0.00020734 -0.00143983 -0.00057706
-0.00859962 -0.02179838 0.00392029
8.65768851 13.27900071 4.84823256
0.00000050 0.00078968 0.00123653
0.00413071 -0.00053393 0.01161175
9.73545313 12.12598046 7.42872257
0.00016069 0.00038331 0.00098000
0.01581013 -0.03026400 0.01541983
23.98769383 27.24753765 -2.59505389
-0.00130895 -0.00042737 0.00004856
-0.00967041 -0.00915531 0.00286407
22.28792841 29.33109328 -1.23744220
-0.00097830 -0.00091962 0.00024510
0.00959754 -0.00274599 -0.02344860
11.16708577 -0.23260163 -13.99179391
0.00088174 0.00096906 0.00121104
0.00399755 -0.00040114 0.00260253
8.55388734 -1.30624708 -14.35520308
0.00098695 0.00025194 0.00093502
0.00338792 -0.00235792 0.00089817
-9.50180143 -1.18227451 14.20780139
0.00061697 0.00073893 -0.00060923
0.00231751 -0.00881189 -0.01792308
-9.13483019 -2.92123649 11.65825139
0.00080952 -0.00049958 -0.00114123
-0.00121957 -0.02033020 0.00756005
-3.16673160 -26.58369562 11.94054028
-0.00042700 -0.00040436 0.00021072
-0.01211165 -0.00168333 0.00156668
-3.19801403 -25.41625406 9.12909197
0.00020604 0.00058527 0.00012753
-0.01644356 0.00374397 -0.00776552
-15.00466892 -2.44582583 -6.80987739
-0.00009452 -0.00049981 -0.00030103
0.00206238 -0.01409960 0.00407690
-16.19128594 -3.88854442 -9.01854729
-0.00065725 -0.00028617 -0.00040884
-0.01134352 0.00123412 -0.00847156
-19.26230315 -9.32885489 -18.96037553
-0.00016187 -0.00087799 0.00083983
0.01231703 -0.02723923 0.00168629
-18.25090378 -12.40497437 -18.92938505
0.00023594 -0.00033694 -0.00006540
0.00326024 0.01775025 -0.00666918
22.48639455 6.20242570 4.07843375
0.00031243 -0.00077680 0.00011996
0.00791423 -0.00138780 -0.00296790
20.12735517 7.05122135 5.39150639
-0.00131927 -0.00055372 -0.00003673
-0.00978857 0.00462650 0.00136429
18.49767789 -11.13422700 -11.81986177
0.00064991 0.00000574 -0.00124368
0.02497892 -0.00169244 -0.02649888
19.15759820 -10.41798641 -14.59688465
0.00032433 0.00087428 0.00072365
-0.00249628 0.00516418 -0.00432431
-1.74101741 0.47629072 -6.49035697
0.00066865 -0.00040734 0.00025421
0.00788074 -0.00818601 -0.00695689
-4.40460150 1.00015012 -6.16945051
0.00019830 0.00020320 0.00020572
-0.01294548 -0.00960959 0.00172962
-3.38738373 -4.29832003 -19.04233134
-0.00053434 0.00078114 -0.00026510
0.00071321 0.01596051 0.02486313
-3.63628687 -1.49821088 -18.48378224
0.00026601 -0.00000080 0.00010629
0.00204202 0.01612281 -0.00372140
14.35697812 18.06972757 -20.58687012
0.00098520 0.00057443 -0.00036128
-0.00991998 0.00841274 0.01146887
12.60928838 15.76704984 -21.32206217
0.00072724 -0.00009849 0.00068727
-0.01059904 0.00618036 0.00322144
-14.00849636 17.23269953 -11.79064626
0.00021287 0.00040460 0.00095097
-0.00099195 0.00637139 -0.00258383
-14.27347841 16.20586354 -14.53297708
0.00053892 -0.00000751 -0.00066841
-0.00577905 0.02383957 0.02006904
1.90028159 15.95952496 6.25906733
0.00037040 -0.00041121 -0.00054021
0.01099066 -0.00955972 -0.00920880
0.00249218 16.08021763 8.10979897
-0.00074337 -0.00011173 -0.00002945
-0.06115049 0.03301743 0.03337160
-4.53329007 -7.80796331 2.63248132
-0.00020956 0.00029369 -0.00002438
0.00059692 -0.02342726 0.00912454
-3.20331779 -10.54068863 2.91580471
0.00022816 -0.00052626 -0.00084753
-0.01620989 0.02562681 0.00653888
1.54754211 -3.55579404 3.16009313
-0.00010334 0.00156407 0.00065794
-0.00454549 -0.02061271 0.00237853
3.36229138 -4.25753906 1.18178941
0.00034681 -0.00043947 -0.00013367
-0.02960439 -0.04049865 0.02225944
8.23497331 7.37520145 3.22255286
0.00131620 -0.00097030 -0.00036968
-0.00930964 0.00170198 -0.00999444
11.19169514 7.91195965 3.55803138
-0.00053273 -0.00017219 0.00034445
-0.00268337 -0.00457005 0.00801410
-8.31791969 -11.86879007 -2.13395802
-0.00047256 -0.00186222 -0.00002249
0.01254029 -0.00687735 -0.00478711
-10.16532845 -9.89890971 -0.92273847
0.00039274 0.00028644 -0.00015570
-0.00784288 0.00495154 0.00129892
4.86980175 -16.58024194 -13.54625127
-0.00119027 -0.00119704 0.00012397
0.00460475 0.00123356 0.01182163
2.49455846 -16.26409303 -11.84448103
0.00031192 -0.00072107 -0.00006001
-0.03435728 -0.03743422 0.05613199
4.43259941 -4.74557350 -4.40445140
0.00073920 0.00003768 -0.00018184
0.00611139 -0.00407241 0.00372172
5.41309318 -6.53000156 -2.23067141
0.00010496 0.00095403 -0.00045571
-0.01673826 0.01051629 -0.00934537
16.57732421 2.26942128 24.58312882
-0.00040194 -0.00103011 -0.00028648
0.00213078 0.00363295 -0.00522499
19.39567087 3.25752464 24.97468639
-0.00012264 -0.00028377 -0.00112107
-0.01190541 -0.00589881 0.00071337
-9.74476616 0.64811699 1.35062604
-0.00114373 -0.00000047 0.00035899
-0.01008900 0.00347019 0.00460986
-10.04497099 3.36161894 2.68237727
-0.00056658 -0.00033979 -0.00025148
-0.00020457 -0.00658568 -0.00663558
-5.13518741 13.75606948 -8.69868889
-0.00019014 0.00017232 -0.00013384
0.00309095 -0.00061869 0.00472795
-7.56750385 12.10332328 -9.37463388
-0.00019381 -0.00019036 -0.00060504
0.01537210 0.00539854 -0.00093969
1.28793845 11.70876774 -6.76682733
-0.00062769 0.00026316 0.00067298
-0.00319035 0.01393472 0.00662317
2.55999416 14.39262001 -6.21771418
0.00125872 -0.00080829 0.00091055
-0.01192159 -0.02082351 -0.00849467
-10.93381166 8.19505204 -12.81762319
-0.00070329 0.00057770 0.00042463
-0.00966510 0.03249759 -0.00455878
-11.68171107 9.92428634 -10.69937329
-0.00028812 0.00000906 0.00052744
-0.00464551 0.00920888 -0.00778432
7.10347738 5.19648564 13.91980569
-0.00022474 0.00036758 0.00048327
0.00002552 0.01833788 -0.01023759
9.62819245 3.73508443 14.41752655
-0.00038749 0.00085025 -0.00082983
-0.00119801 0.01132347 -0.00600427
-14.14872786 11.63259107 -7.71021037
0.00032156 0.00041100 -0.00066704
-0.00490899 -0.01143652 0.00955061
-16.88276026 10.55195811 -8.03501459
-0.00001344 -0.00035749 -0.00022418
-0.00980807 0.00613757 -0.00317747
9.35598934 9.22669757 -2.79863381
0.00042409 -0.00071257 0.00021861
-0.01251487 -0.02964609 0.00853046
7.57219212 8.17333657 -4.52054880
-0.00054072 -0.00064865 0.00009219
-0.02945323 0.00757336 -0.04453551
14.30926366 -19.09828657 -27.48399484
-0.00072935 0.00007458 0.00014537
-0.00099571 0.02803990 -0.01277841
13.81411506 -20.13265333 -24.80592024
0.00085077 0.00047584 0.00003562
0.00435046 -0.00424199 -0.02564201
5.29090582 4.87705974 2.08495014
0.00095175 0.00058199 0.00070944
0.00251860 -0.00800248 0.00275406
5.43940044 7.03692185 0.16783176
0.00021546 0.00056476 0.00091414
0.00763511 0.00544442 -0.03052649
19.79011647 -5.05981298 -6.82752560
-0.00003928 0.00090258 0.00055799
-0.01844938 -0.02174228 -0.00730960
16.91832047 -4.85976078 -6.29320665
-0.00034926 0.00008853 0.00016389
0.00849862 -0.01481895 -0.00818797
-2.55750136 -0.64887343 -1.09236316
0.00017391 -0.00021392 0.00055470
0.00917832 -0.02897212 -0.00206711
-2.73776871 -1.87334158 -3.67285347
-0.00112434 -0.00072492 -0.00009144
0.01441874 -0.00926728 0.02460984
3.91053476 -3.59762629 -12.58425950
0.00066296 -0.00077813 -0.00039151
-0.00529124 0.00975131 0.00479641
1.13006847 -2.88749342 -11.80985581
-0.00009821 0.00021900 0.00006542
0.00077554 0.00027065 -0.00019735
19.92269816 8.75450120 -7.83605903
0.00011002 0.00004945 0.00055484
0.00084101 -0.00384290 0.01650462
21.11395383 7.76747067 -5.19950365
-0.00020646 -0.00027806 0.00002135
-0.02159734 0.02007371 -0.01161374
-7.35788002 3.85420989 8.52615302
-0.00058699 0.00138258 -0.00063913
0.00354485 0.00550951 0.00170225
-6.71569397 6.25539056 9.97664122
-0.00000274 -0.00015341 -0.00062476
-0.01027651 -0.00249388 -0.00840892
-1.52652863 -17.94086334 11.59722744
0.00099632 -0.00025030 0.00011882
-0.00117598 -0.00759270 -0.00070644
-2.68215680 -15.86003329 9.82568065
0.00050424 -0.00027642 -0.00035049
0.01054189 -0.00527465 0.00802140
8.68884044 -0.28939225 -3.23092344
0.00132408 0.00008004 0.00081428
0.00588096 0.00428183 0.00260437
7.79055444 1.52570402 -5.55874375
0.00020180 -0.00002160 -0.00043863
0.00015676 -0.00789272 0.01118181
0.28128344 -11.92949606 1.94397281
0.00007272 0.00038294 -0.00016595
-0.00639898 0.00191027 -0.01075486
-1.47101561 -10.70858632 -0.13762865
-0.00034268 0.00000976 -0.00016571
0.00776882 -0.00194499 -0.00479307
-19.31107393 -0.66586194 7.00305159
-0.00028181 0.00101171 0.00104131
-0.00022619 -0.00924187 0.01674978
-21.47923728 0.76914382 5.80373108
0.00036916 0.00019240 -0.00062862
0.01392260 -0.01003328 -0.00913752
-5.27353355 8.40759713 -26.71636972
0.00187473 0.00078877 -0.00047439
0.00723803 -0.00167685 0.02768004
-5.27175422 7.84380654 -23.73985136
0.00030966 0.00046057 -0.00086141
0.00685780 0.00085274 -0.00478501
4.11480254 1.87984663 -2.09136427
-0.00053365 -0.00095000 0.00074837
-0.00708715 -0.01954798 0.00306440
1.49859933 0.26279155 -1.52929379
-0.00081520 -0.00019390 -0.00038076
0.02108062 0.02045818 -0.01006890
14.71747876 7.62539181 5.89960599
-0.00070752 -0.00034873 0.00028491
-0.00014517 0.00456700 0.00072110
15.00727708 9.91933449 3.92078582
-0.00051036 0.00134607 -0.00041831
0.01004799 0.01736186 0.00834786
1.70308596 -11.68625272 -13.98610703
0.00032683 0.00016515 -0.00008991
0.01180599 0.00628090 0.00291871
-13.59566713 14.73268644 22.85893463
-0.00005674 0.00013606 0.00013664
-0.00071565 0.00152113 0.00116747
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02318822
0.33999473
453.02592789
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555959302
ExchangeOperator: pair fraction: ispin=0: 0.1319848567
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3426751357 (a.u.)
total exchange computation time: 2.7232038975 s
-154.0790146221
-931.36561738
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555959302
ExchangeOperator: pair fraction: ispin=0: 0.1319848567
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3425034780 (a.u.)
total exchange computation time: 2.7239060402 s
-154.0811319951
Anderson extrapolation: theta=1.4095164158 (1.4095164158)
-931.36585098
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555959302
ExchangeOperator: pair fraction: ispin=0: 0.1319848567
ExchangeOperator: bisection time: 1.337 s
total exchange = -52.3421099171 (a.u.)
total exchange computation time: 2.7239871025 s
-154.0850362719
Anderson extrapolation: theta=0.0806997313 (0.0806997313)
-931.36600570
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555959302
ExchangeOperator: pair fraction: ispin=0: 0.1319848567
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3419534331 (a.u.)
total exchange computation time: 2.7239441872 s
-154.0861541765
Anderson extrapolation: theta=2.4484640743 (2.0000000000)
-931.36601687
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555959302
ExchangeOperator: pair fraction: ispin=0: 0.1319848567
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3415895847 (a.u.)
total exchange computation time: 2.7241311073 s
-154.0886270963
Anderson extrapolation: theta=0.4895262594 (0.4895262594)
-931.36603268
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555959302
ExchangeOperator: pair fraction: ispin=0: 0.1319848567
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3414027394 (a.u.)
total exchange computation time: 2.7237839699 s
-154.0897720688
Anderson extrapolation: theta=0.7910286525 (0.7910286525)
-931.36603768
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555959302
ExchangeOperator: pair fraction: ispin=0: 0.1319848567
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.3412738632 (a.u.)
total exchange computation time: 2.7245459557 s
-154.0904357044
Anderson extrapolation: theta=0.6000736730 (0.6000736730)
-931.36604049
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555959302
ExchangeOperator: pair fraction: ispin=0: 0.1319848567
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3412226715 (a.u.)
total exchange computation time: 2.7235081196 s
-154.0905743091
Anderson extrapolation: theta=0.6216975251 (0.6216975251)
-931.36604163
-66.501900 -170.906836 -245.118563
-137.052584 458.414249 -807.207569
-203.554484 287.507412 -1052.326132
1109.723041
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555959302
ExchangeOperator: pair fraction: ispin=0: 0.1319848567
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3412131500 (a.u.)
total exchange computation time: 2.7231049538 s
678.48927516
-1083.04312078
89.75855230
-389.50986925
-174.71966640
77.92517106
551.60419304
0.00000000
-931.36604212
-9.09853107 -5.32540295 9.88941371
0.00020128 -0.00001125 0.00019209
-0.03747820 0.02437282 -0.02534602
-13.74839612 5.00225212 8.86944073
0.00003558 -0.00007988 -0.00018495
-0.00697209 0.01633287 -0.01038164
-15.90517877 1.48576907 2.99282345
-0.00008583 -0.00012762 0.00006197
0.02416835 0.01712429 -0.04184332
2.23649799 -19.71173736 13.50286187
-0.00021208 -0.00024338 0.00035560
0.00746829 -0.04597320 -0.00771688
10.07394693 20.82712759 0.23296693
0.00024723 -0.00010598 -0.00039953
-0.01984233 -0.02169859 -0.00839844
-11.29534915 12.84877764 15.21027594
0.00002447 0.00001671 0.00011130
0.01115281 0.01178157 -0.00912802
-5.92538363 0.99272510 -12.81522928
0.00015384 -0.00004602 0.00010004
-0.02334399 -0.00161854 -0.00304504
-8.88601107 6.80493125 -6.87250204
-0.00010187 0.00014950 -0.00007094
-0.01409412 -0.00094509 -0.00263635
-7.22941739 -3.83871959 17.96650595
0.00031249 -0.00027014 -0.00016739
-0.01125028 0.03012306 0.02125786
-23.64260580 -7.67755793 -23.80885833
-0.00023510 0.00004917 -0.00044924
0.02978383 0.01138979 -0.00780063
8.71876373 13.39622928 6.70203082
0.00037762 0.00049314 -0.00015255
-0.02259906 0.03775241 -0.01895777
22.92974975 28.69774153 -2.89093725
-0.00029441 -0.00011108 0.00029678
-0.01118448 0.02416660 0.01392242
9.59001687 0.17914368 -14.78089183
0.00016856 0.00023749 -0.00035567
0.00456730 -0.00172141 -0.00066941
-9.28188598 -1.26117208 12.37647463
-0.00040709 -0.00025215 -0.00005195
-0.00511986 0.03284765 0.00589060
-2.20658785 -25.93498206 10.52037832
0.00003049 -0.00000515 -0.00019420
0.03230233 -0.00372331 0.00155966
-15.36487154 -4.18837692 -7.45823502
-0.00018846 -0.00014898 -0.00039617
0.00465792 0.00765064 0.00447992
-19.38748287 -11.08309239 -18.30012722
0.00000472 0.00001659 -0.00015668
-0.01155274 -0.00203474 0.00424243
20.92758430 5.57232643 4.75352215
-0.00025454 0.00055657 0.00018344
0.00566872 -0.01044595 -0.00114805
19.79921675 -11.46208484 -13.24205976
0.00042482 0.00011896 0.00015233
-0.03647778 -0.00060277 0.02016496
-3.33336475 -0.44201990 -6.51780694
-0.00017918 -0.00005938 0.00006246
0.01670872 0.02495708 0.00255486
-3.56916443 -3.09147406 -17.61624745
0.00027614 0.00015993 -0.00010283
-0.00097432 -0.02388687 -0.01684839
14.30122345 16.46373771 -21.38201598
0.00006505 0.00011292 -0.00016185
0.02962848 -0.00343734 -0.01178218
-14.55321695 17.84686764 -13.44141812
-0.00002419 0.00028820 -0.00025333
0.00513186 -0.04017131 -0.00761936
1.28566102 15.01955177 7.68891942
-0.00018812 -0.00001663 -0.00043718
0.04708918 -0.02293489 -0.02261245
-4.20214640 -9.19787266 3.82963866
0.00032146 -0.00003512 -0.00004874
0.00949997 -0.01197948 -0.01594999
2.07785683 -5.16482271 2.34400841
0.00003978 -0.00003551 0.00004110
0.03235604 0.06734262 -0.01341176
9.64892067 7.24052980 4.33378827
-0.00010274 0.00009393 -0.00023060
0.01528587 -0.00714572 0.01156048
-9.36935118 -10.40558667 -2.46425363
-0.00029646 -0.00008126 0.00038298
-0.00414145 -0.00402557 -0.00527650
3.37024739 -15.60133777 -13.15325654
-0.00009332 0.00018656 -0.00023329
0.02842810 0.03501428 -0.05923899
3.86670114 -5.71089850 -2.93435938
0.00003836 -0.00010956 0.00057006
0.01317448 -0.00212415 -0.00357556
18.35754831 1.81524911 24.41042373
-0.00004477 -0.00014107 -0.00005960
0.00498025 -0.00593766 -0.00049901
-9.03784815 2.32452656 1.54685188
-0.00004468 -0.00028998 -0.00001784
0.01168902 0.00760607 0.00264162
-5.74681208 12.31466230 -9.70196648
0.00034613 -0.00050411 0.00009522
-0.02423993 -0.00872553 -0.00295352
1.63701485 13.36729772 -7.48215812
0.00007393 0.00014610 -0.00003531
0.01708818 0.00519586 0.00845816
-11.33677105 10.03711114 -12.50542619
-0.00020933 -0.00018142 -0.00000282
0.01561692 -0.03741594 0.02001864
7.82853362 3.74439911 14.68394750
0.00000416 -0.00048293 0.00017954
0.00395779 -0.01251921 0.00218894
-15.22624234 10.12852882 -7.45783700
0.00024001 0.00049147 0.00063242
0.00421043 -0.00046467 -0.00690989
8.36611060 7.61547714 -3.06428941
-0.00040731 -0.00000672 -0.00006636
0.04216963 0.02306580 0.04435399
14.12795617 -20.63532153 -26.60018260
-0.00007084 0.00016931 0.00022459
-0.00529589 -0.01617166 0.03940266
5.14559124 6.68497562 1.88893114
0.00001830 -0.00041353 0.00010625
-0.01169906 0.01002164 0.02853156
18.17250253 -5.82585804 -7.38699721
-0.00017829 0.00013445 0.00021757
0.01297063 0.03327061 0.01824747
-1.97214306 -2.25379622 -1.92992760
-0.00005517 -0.00007808 0.00026471
-0.02511291 0.04251355 -0.01607202
2.83991834 -2.18677837 -12.01795475
0.00001799 -0.00010008 0.00006437
0.00680014 -0.01187022 -0.00260451
19.83786746 8.98813857 -5.99693728
0.00030139 -0.00046156 0.00009180
0.01750185 -0.01889758 -0.00359913
-7.73339786 5.68009655 8.54144791
-0.00001943 -0.00023413 -0.00028470
0.00826177 0.01348895 0.01243412
-1.68115947 -16.16044673 11.34183719
0.00009105 -0.00008343 -0.00004552
-0.00725967 0.01155107 -0.00433515
7.65286843 -0.13375283 -4.72084915
-0.00001977 0.00064529 -0.00006710
-0.00324089 -0.00188265 0.00670237
-1.11011772 -12.31352164 0.74116510
-0.00021371 -0.00025882 0.00016337
-0.00232203 0.00572785 0.01119754
-20.03140681 -0.30975484 5.36812653
-0.00014268 0.00048291 0.00003526
-0.01279906 0.01402306 -0.00227757
-6.34770589 8.07342082 -25.18361436
0.00006463 0.00010752 0.00031769
0.00651491 -0.00227379 -0.01324015
2.28943933 1.92396450 -1.93297820
-0.00010222 -0.00000865 -0.00013959
-0.00971546 -0.01642257 0.00605759
14.55421415 8.20281385 4.15630773
-0.00017478 -0.00009922 -0.00005494
-0.00278336 -0.00792709 -0.01528162
-8.22948603 -6.83473484 9.93552274
-0.00032639 0.00000790 -0.00084018
0.03169062 -0.04205644 0.00695748
-10.43317337 -5.66553128 8.64055460
0.00010122 -0.00025534 0.00069812
0.00984559 0.00715844 0.01053825
-13.27865399 5.35833105 7.10347760
-0.00025272 -0.00077036 -0.00012778
0.00094103 0.00634058 0.00981569
-13.19473095 3.31304181 9.12695003
0.00080851 0.00044858 0.00090305
0.00145408 -0.01796313 -0.00072691
-14.57109336 1.56994879 4.16958869
-0.00033105 0.00025619 -0.00015116
0.02107396 0.00324825 0.01987939
-17.27281120 0.89467505 3.93269497
0.00043118 0.00038295 0.00032621
-0.04323396 -0.01689716 0.02048067
2.24789365 -21.45836329 12.60077675
-0.00020759 0.00087397 -0.00034537
0.01028709 0.04667887 0.02578653
3.56640920 -19.77127886 14.82434079
-0.00049025 -0.00000148 -0.00133474
-0.01955512 -0.00523136 -0.02152680
9.26462399 19.16837046 -0.04665386
0.00129712 0.00026543 -0.00000471
0.02023941 -0.00489214 -0.00146095
8.71140974 21.48768582 1.24326891
-0.00031081 -0.00019413 -0.00054318
-0.00633950 0.01855220 0.00765718
-10.51755708 12.12770408 16.70037710
-0.00070348 0.00029091 -0.00078475
0.00224023 -0.01297173 0.01452233
-11.13384657 14.57210177 15.75586401
0.00013516 0.00112234 0.00010804
-0.00620453 0.01268021 -0.00911311
-6.11623233 0.13212154 -14.40190157
-0.00017761 -0.00031729 -0.00009869
0.00769811 -0.00304228 -0.00726220
-7.44173555 0.36107162 -11.86905964
-0.00105833 -0.00059507 -0.00013440
0.01945865 0.00162954 0.00975915
-7.68508309 8.12127080 -7.25430629
0.00041765 -0.00055714 -0.00132125
-0.00229766 -0.00263722 0.00057864
-9.73122744 7.35594694 -5.31754099
0.00061712 0.00103968 -0.00094275
0.00875122 -0.00568640 -0.01208494
-7.56939757 -1.95546916 17.92479785
0.00013328 0.00077533 0.00005119
0.00739842 -0.03483272 0.00421487
-7.20270910 -4.37865008 19.79619653
-0.00040516 -0.00064695 0.00006857
-0.00452186 0.00274070 -0.02558760
-24.26801220 -5.97576425 -23.87066789
0.00024993 0.00012491 -0.00060619
-0.02144077 0.00797987 0.00500730
-21.88204688 -7.09947533 -24.09135295
-0.00023847 -0.00152579 -0.00056154
-0.00664069 -0.02028124 0.00367659
8.65782260 13.29082958 4.86713631
0.00001775 0.00078474 0.00126402
0.00431126 -0.00188684 0.00184571
9.73834792 12.13080271 7.44389508
0.00022019 0.00026508 0.00103849
0.01331742 -0.02760988 0.01321015
23.96776319 27.24084656 -2.59423779
-0.00134419 -0.00047012 0.00006107
-0.00757730 -0.01176915 0.00326157
22.27354800 29.31721489 -1.23448419
-0.00093906 -0.00092985 0.00015042
0.00961082 -0.00226524 -0.02290070
11.18043436 -0.21807802 -13.97354862
0.00088222 0.00097203 0.00121326
-0.00376081 0.00185700 -0.00151571
8.56879547 -1.30254027 -14.34115031
0.00099810 0.00024007 0.00093810
0.00206796 -0.00344965 0.00061190
-9.49247589 -1.17146056 14.19811372
0.00062540 0.00070133 -0.00067273
0.00180884 -0.00959216 -0.01316206
-9.12272474 -2.92935320 11.64136456
0.00080364 -0.00057312 -0.00110373
-0.00166136 -0.01566826 0.01079785
-3.17350777 -26.58981257 11.94374902
-0.00047100 -0.00040757 0.00020976
-0.00942729 0.00011287 -0.00203487
-3.19542738 -25.40736029 9.13076689
0.00013720 0.00060173 0.00009380
-0.01725022 0.00431434 -0.00874510
-15.00602351 -2.45375505 -6.81426792
-0.00008564 -0.00055339 -0.00028380
0.00228174 -0.01212772 0.00435679
-16.20149229 -3.89279908 -9.02493947
-0.00070214 -0.00028100 -0.00043960
-0.01063104 0.00129547 -0.00658677
-19.26435372 -9.34285941 -18.94772639
-0.00010965 -0.00097388 0.00084018
0.01324154 -0.01969810 -0.00151680
-18.24726481 -12.40948448 -18.93057043
0.00024636 -0.00026083 -0.00009093
0.00184252 0.01950514 -0.00582767
22.49132355 6.19073114 4.08014226
0.00034153 -0.00077953 0.00011007
0.00633159 0.00005109 -0.00187295
20.10726610 7.04305733 5.39099726
-0.00135948 -0.00052677 -0.00003016
-0.00989435 0.00856699 0.00185027
18.50819197 -11.13419270 -11.83932892
0.00074562 -0.00000089 -0.00134118
0.02187128 -0.00155287 -0.02123091
19.16238671 -10.40471393 -14.58616236
0.00031609 0.00089415 0.00070465
-0.00153924 0.00456059 -0.00497619
-1.73074621 0.46992971 -6.48675692
0.00069253 -0.00044456 0.00022593
0.00380976 -0.01003092 -0.00688638
-4.40202374 1.00290371 -6.16631175
0.00014617 0.00016426 0.00021265
-0.01256926 -0.00945325 0.00166185
-3.39537702 -4.28611390 -19.04554590
-0.00053025 0.00084170 -0.00016715
0.00129086 0.01368322 0.02308111
-3.63223412 -1.49772883 -18.48230199
0.00027426 0.00006858 0.00009035
0.00199562 0.01784063 -0.00407975
14.37145221 18.07860179 -20.59193791
0.00094354 0.00060243 -0.00031717
-0.01047444 0.00529481 0.01012412
12.61987219 15.76576188 -21.31165444
0.00067653 -0.00007524 0.00070117
-0.01422213 0.00519945 0.00358295
-14.00533369 17.23896377 -11.77646090
0.00020411 0.00043479 0.00092523
-0.00329838 0.00840585 -0.01001468
-14.26557177 16.20648138 -14.54238819
0.00051483 0.00009178 -0.00058321
-0.00601175 0.02476268 0.02163483
1.90617434 15.95306392 6.25068193
0.00041265 -0.00044949 -0.00057595
0.00969368 -0.00918240 -0.00828547
-0.01053217 16.07955345 8.11037977
-0.00098196 0.00001585 0.00010178
-0.05564234 0.02943393 0.03086741
-4.53641519 -7.80427580 2.63239516
-0.00020603 0.00019515 0.00001494
0.00113328 -0.02480756 0.01012620
-3.20039206 -10.54779730 2.90329221
0.00015884 -0.00041736 -0.00081732
-0.01772650 0.02768283 0.00824901
1.54585265 -3.53296466 3.17003504
-0.00011513 0.00146293 0.00065813
-0.00122424 -0.02889546 -0.00228182
3.36658642 -4.26537219 1.18046642
0.00022490 -0.00060398 -0.00004176
-0.03007463 -0.04002991 0.02273301
8.25443096 7.36069909 3.21670133
0.00126402 -0.00096165 -0.00042114
-0.01623061 0.00253387 -0.01519474
11.18362189 7.90923679 3.56344373
-0.00053484 -0.00018734 0.00037303
0.00165332 -0.00284601 0.00597713
-8.32462382 -11.89693415 -2.13444209
-0.00043057 -0.00187565 -0.00004449
0.00801382 0.00030432 -0.00598126
-10.15967770 -9.89446140 -0.92503420
0.00035647 0.00030874 -0.00014105
-0.00991067 0.00596313 0.00587541
4.85208874 -16.59815969 -13.54402946
-0.00116790 -0.00119167 0.00016896
0.00634541 0.00139404 0.01020048
2.49818440 -16.27605611 -11.84366108
0.00017468 -0.00086887 0.00016202
-0.03282250 -0.03491878 0.05255093
4.44387460 -4.74513302 -4.40706495
0.00075808 0.00001538 -0.00015735
0.00313104 -0.00684743 0.00826614
5.41415469 -6.51536892 -2.23779343
0.00004414 0.00099082 -0.00048782
-0.01303371 0.00749408 -0.00637020
16.57136047 2.25408089 24.57867152
-0.00039130 -0.00101404 -0.00030744
0.00307727 0.00423721 -0.00503507
19.39346652 3.25308737 24.95789220
-0.00016909 -0.00030257 -0.00111545
-0.01083345 -0.00330479 0.00203790
-9.76223129 0.64821625 1.35615220
-0.00118265 0.00001434 0.00037649
-0.00895980 0.00377884 0.00395585
-10.05347599 3.35632032 2.67840175
-0.00056534 -0.00036593 -0.00027935
0.00081251 -0.00621139 -0.00700663
-5.13794474 13.75863526 -8.70055159
-0.00017831 0.00016723 -0.00011614
0.00269801 -0.00186989 0.00393390
-7.56994001 12.10063332 -9.38373829
-0.00012629 -0.00016763 -0.00060928
0.01768366 0.00572697 -0.00113485
1.27842538 11.71314212 -6.75652961
-0.00064029 0.00032279 0.00069690
-0.00297803 0.01525532 0.00508277
2.57850967 14.37985753 -6.20431621
0.00120549 -0.00089550 0.00086909
-0.01413477 -0.02186448 -0.01180023
-10.94465711 8.20471338 -12.81139347
-0.00074050 0.00069964 0.00040315
-0.00855356 0.02718999 -0.00595426
-11.68617520 9.92470443 -10.69170017
-0.00030568 0.00004742 0.00048839
-0.00394886 0.00956806 -0.01133263
7.10010713 5.20256121 13.92674103
-0.00022157 0.00043255 0.00044731
0.00152434 0.01346514 -0.00736302
9.62234338 3.74818524 14.40489517
-0.00038776 0.00089465 -0.00085358
0.00106572 0.01041050 -0.00562263
-14.14405482 11.63840564 -7.71992332
0.00029989 0.00036315 -0.00062695
-0.00570046 -0.01198811 0.01007437
-16.88326234 10.54678383 -8.03847462
-0.00004818 -0.00033339 -0.00023556
-0.00720162 0.00566125 -0.00239477
9.36196724 9.21510053 -2.79509326
0.00037218 -0.00083136 0.00025174
-0.01289821 -0.02850000 0.00768624
7.56317874 8.16383894 -4.52053068
-0.00066114 -0.00061514 -0.00009113
-0.02949304 0.00883032 -0.04520102
14.29829291 -19.09630869 -27.48220582
-0.00073334 0.00018972 0.00009183
-0.00095862 0.02832489 -0.01343004
13.82700990 -20.12564573 -24.80617173
0.00086724 0.00045858 -0.00006529
0.00371172 -0.00420528 -0.02375087
5.30525922 4.88554439 2.09567620
0.00096269 0.00053719 0.00071993
0.00283786 -0.01392757 0.00237948
5.44286635 7.04556012 0.18060838
0.00024816 0.00058720 0.00078059
0.00836994 0.00554085 -0.03484434
19.78896187 -5.04694054 -6.81937974
-0.00011969 0.00081083 0.00052580
-0.02091137 -0.02317099 -0.00844888
16.91334198 -4.85888698 -6.29099916
-0.00031499 0.00002803 0.00013074
0.00827661 -0.01479687 -0.00804018
-2.55461149 -0.65297002 -1.08410606
0.00021054 -0.00033112 0.00054552
0.00875093 -0.02839893 -0.00242388
-2.75419193 -1.88449928 -3.67347091
-0.00106272 -0.00076188 0.00001472
0.01574180 -0.00882582 0.02735693
3.92031708 -3.60899936 -12.58998518
0.00063316 -0.00072846 -0.00036832
-0.00929761 0.01456147 0.00655523
1.12861908 -2.88420019 -11.80888051
-0.00009494 0.00021899 0.00006433
0.00082284 -0.00027509 -0.00033849
19.92437419 8.75512519 -7.82723062
0.00011369 0.00003264 0.00061411
0.00095599 -0.00438645 0.01250892
21.11019510 7.76391487 -5.19953931
-0.00029077 -0.00019953 -0.00002388
-0.01967263 0.01836567 -0.01052448
-7.36657620 3.87511745 8.51661829
-0.00056844 0.00138303 -0.00063284
0.00553423 -0.00528995 0.00137295
-6.71604997 6.25301301 9.96701211
-0.00004270 -0.00016264 -0.00065647
-0.00928321 -0.00202708 -0.00711326
-1.51161982 -17.94485045 11.59898805
0.00099064 -0.00027657 0.00011474
-0.00160747 -0.00526909 -0.00129155
-2.67427024 -15.86434119 9.82066905
0.00054722 -0.00029866 -0.00031793
0.01050019 -0.00561044 0.00791685
8.70888178 -0.28806041 -3.21862936
0.00133457 0.00010021 0.00080552
-0.00074441 0.00559227 -0.00689657
7.79358632 1.52513820 -5.56498049
0.00020360 -0.00004877 -0.00039411
0.00072282 -0.00540923 0.01060917
0.28217812 -11.92369338 1.94115403
0.00004571 0.00038941 -0.00021014
-0.00682119 0.00125744 -0.01087948
-1.47591768 -10.70849948 -0.14026114
-0.00031024 -0.00000285 -0.00018318
0.00811001 -0.00423092 -0.00375796
-19.31530805 -0.65096949 7.01918453
-0.00028692 0.00097510 0.00109917
-0.00227467 -0.00867785 0.01157264
-21.47327333 0.77172231 5.79402175
0.00041717 0.00015768 -0.00066384
0.00957971 -0.00695972 -0.00810371
-5.24519075 8.41937727 -26.72263737
0.00189217 0.00077914 -0.00034923
0.00129974 -0.00303431 0.03358862
-5.26689912 7.85074118 -23.75291912
0.00034451 0.00046208 -0.00086783
0.01020124 -0.00011379 0.00164028
4.10658059 1.86499763 -2.08004483
-0.00055480 -0.00102880 0.00075974
-0.00326695 -0.01902584 0.00250261
1.48701732 0.26051001 -1.53531379
-0.00072763 -0.00010630 -0.00042259
0.02178360 0.02242204 -0.01040346
14.70686158 7.62030079 5.90390171
-0.00070794 -0.00032722 0.00028334
-0.00006240 0.00596272 -0.00148980
14.99992963 9.94005752 3.91476695
-0.00047426 0.00139551 -0.00038018
0.00762208 0.00684008 0.01031677
1.70802013 -11.68375862 -13.98744784
0.00033103 0.00016739 -0.00008889
0.01164543 0.00626970 0.00279723
-13.59651951 14.73473003 22.86098628
-0.00005689 0.00013644 0.00013693
-0.00054543 0.00169628 0.00128914
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02371011
0.34233201
456.14023634
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1324175230
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3417636388 (a.u.)
total exchange computation time: 2.6401569843 s
-154.0861172203
-931.36735490
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1324175230
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.3417119676 (a.u.)
total exchange computation time: 2.6412651539 s
-154.0875167834
Anderson extrapolation: theta=1.4261212653 (1.4261212653)
-931.36759057
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1324175230
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3415507695 (a.u.)
total exchange computation time: 2.6405370235 s
-154.0900988803
Anderson extrapolation: theta=0.0789313177 (0.0789313177)
-931.36774601
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1324175230
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3414683161 (a.u.)
total exchange computation time: 2.6399250031 s
-154.0908174965
Anderson extrapolation: theta=2.2129687677 (2.0000000000)
-931.36775619
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1324175230
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3412860960 (a.u.)
total exchange computation time: 2.6424069405 s
-154.0923095320
Anderson extrapolation: theta=0.3445743756 (0.3445743756)
-931.36777011
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1324175230
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3412284896 (a.u.)
total exchange computation time: 2.6396169662 s
-154.0927014376
Anderson extrapolation: theta=1.1392886796 (1.1392886796)
-931.36777396
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1324175230
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3411866581 (a.u.)
total exchange computation time: 2.6383719444 s
-154.0928924820
Anderson extrapolation: theta=0.4695427372 (0.4695427372)
-931.36777730
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1324175230
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3411911365 (a.u.)
total exchange computation time: 2.6416690350 s
-154.0927450291
Anderson extrapolation: theta=0.9137849255 (0.9137849255)
-931.36777852
-66.476120 -170.919291 -245.130388
-137.041989 458.409491 -807.236506
-203.518110 287.490200 -1052.366894
1109.750564
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1324175230
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3412125313 (a.u.)
total exchange computation time: 2.6418740749 s
678.47820846
-1083.02532306
89.76016062
-389.52177642
-174.71783632
77.91847787
551.60419304
0.00000000
-931.36777925
-9.09565647 -5.32547776 9.89219733
0.00018208 0.00000149 0.00017929
-0.03716167 0.02517868 -0.02442622
-13.74788934 5.00111695 8.86662640
0.00003185 -0.00007150 -0.00018982
-0.00752187 0.01625630 -0.00854983
-15.90637300 1.48392085 2.99359161
-0.00007318 -0.00011863 0.00003979
0.02501438 0.01782269 -0.04443107
2.23334563 -19.71556536 13.50816604
-0.00021001 -0.00026603 0.00035011
0.00056326 -0.04212375 -0.01362519
10.07757886 20.82545420 0.22694162
0.00023713 -0.00011552 -0.00040325
-0.01943351 -0.01539590 -0.00607455
-11.29493906 12.84907380 15.21191026
0.00002950 0.00002575 0.00010538
0.00839028 0.02333961 -0.01389643
-5.92316608 0.99202860 -12.81374043
0.00014056 -0.00004783 0.00009853
-0.02828175 -0.00542787 -0.00281319
-8.88759342 6.80717016 -6.87357629
-0.00010829 0.00014872 -0.00007363
-0.01087506 -0.00208660 -0.00783096
-7.22477342 -3.84265548 17.96407704
0.00030638 -0.00025343 -0.00015613
-0.01253282 0.03484559 0.02253493
-23.64601740 -7.67677645 -23.81562701
-0.00022050 0.00005441 -0.00045313
0.02698258 0.00897288 -0.00731662
8.72434092 13.40377204 6.69966945
0.00036687 0.00051187 -0.00015880
-0.01922848 0.03507872 -0.00535933
22.92529049 28.69616855 -2.88643180
-0.00030049 -0.00009828 0.00030358
-0.01246627 0.02562500 0.01250986
9.59256291 0.18269943 -14.78622946
0.00017308 0.00023630 -0.00035493
0.01298799 -0.00289830 0.00354120
-9.28801212 -1.26482758 12.37571811
-0.00040944 -0.00023640 -0.00005119
-0.00401640 0.02837158 -0.00293448
-2.20600587 -25.93507360 10.51747136
0.00004648 -0.00000765 -0.00019230
0.02986888 -0.00599961 0.00581577
-15.36768054 -4.19058204 -7.46416035
-0.00018640 -0.00014550 -0.00039445
0.00337386 0.00587148 0.00221484
-19.38745661 -11.08285140 -18.30246102
-0.00000109 0.00001293 -0.00015383
-0.01102884 -0.01221237 0.00683771
20.92378807 5.58063475 4.75626935
-0.00025118 0.00054995 0.00018242
0.00739415 -0.01533154 -0.00281718
19.80544839 -11.46030278 -13.23969698
0.00040732 0.00011867 0.00016108
-0.03158434 -0.00052976 0.01384096
-3.33598807 -0.44281428 -6.51686017
-0.00016971 -0.00004620 0.00006380
0.02012896 0.02627979 0.00263752
-3.56502616 -3.08916725 -17.61785482
0.00027548 0.00014804 -0.00011083
-0.00159026 -0.02234477 -0.01428534
14.30231353 16.46541822 -21.38448913
0.00008124 0.00011228 -0.00016764
0.03330543 0.00093750 -0.01074873
-14.55356002 17.85103573 -13.44524743
-0.00002098 0.00026698 -0.00025572
0.00733853 -0.04236822 -0.00167039
1.28302090 15.01921391 7.68227454
-0.00016556 -0.00002710 -0.00044817
0.04061659 -0.01780437 -0.02012095
-4.19728781 -9.19844561 3.82884607
0.00032640 -0.00004147 -0.00005742
0.00971467 -0.01273668 -0.01781044
2.07857839 -5.16509554 2.34457313
0.00005559 0.00000065 0.00003535
0.02911827 0.07327130 -0.00892474
9.64743861 7.24191124 4.33037391
-0.00009440 0.00008968 -0.00022281
0.01713681 -0.00940247 0.01873161
-9.37381413 -10.40682110 -2.45852924
-0.00029694 -0.00008541 0.00037935
0.00229811 -0.01212554 -0.00885041
3.36895725 -15.59840432 -13.15698433
-0.00007998 0.00020346 -0.00026169
0.02345053 0.03070385 -0.05121232
3.86732739 -5.71255004 -2.92582222
0.00004476 -0.00010922 0.00056625
0.01171040 0.00344387 -0.01125041
18.35689599 1.81311021 24.40952781
-0.00004280 -0.00014494 -0.00006022
0.00269009 -0.00912810 -0.00192994
-9.03847322 2.32020624 1.54659448
-0.00003912 -0.00028630 -0.00001626
0.00992330 0.00669258 0.00351757
-5.74171368 12.30706698 -9.70054951
0.00033330 -0.00050830 0.00009401
-0.02563582 -0.00755638 -0.00177095
1.63818970 13.36950928 -7.48265515
0.00008316 0.00014865 -0.00002984
0.01881655 0.00473525 0.01282402
-11.33985082 10.03424558 -12.50539127
-0.00020185 -0.00019901 0.00000863
0.01349850 -0.03098437 0.02450721
7.82861132 3.73710690 14.68664910
0.00000522 -0.00048759 0.00017964
0.00016410 -0.00560360 -0.00180506
-15.22262588 10.13589907 -7.44837743
0.00024150 0.00049140 0.00062849
0.00157097 0.00018379 -0.00836403
8.36016366 7.61546530 -3.06511375
-0.00038590 0.00000454 -0.00004364
0.04107178 0.02072051 0.04401095
14.12687310 -20.63284419 -26.59666178
-0.00007332 0.00016112 0.00024417
-0.00434550 -0.01567910 0.03674952
5.14582058 6.67881126 1.89063499
0.00001194 -0.00040690 0.00012164
-0.01304201 0.01576216 0.03129555
18.16987817 -5.82371301 -7.38366320
-0.00017104 0.00015171 0.00022691
0.01524502 0.03384598 0.01807187
-1.97306753 -2.25480339 -1.92601890
-0.00006819 -0.00005664 0.00025588
-0.02548886 0.04085775 -0.01828920
2.84021439 -2.18832541 -12.01699919
0.00002242 -0.00010706 0.00006261
0.01044966 -0.01526712 -0.00426162
19.84245581 8.98114227 -5.99557411
0.00030961 -0.00047053 0.00009081
0.01445148 -0.01597346 -0.00026088
-7.73365746 5.67663656 8.53722545
-0.00001609 -0.00022435 -0.00027862
0.00473090 0.02454835 0.01120438
-1.67982180 -16.16165367 11.34113771
0.00008748 -0.00007810 -0.00004743
-0.00661542 0.00917846 -0.00312009
7.65255941 -0.12408074 -4.72182985
-0.00002003 0.00064299 -0.00006114
0.00223011 -0.00706470 0.01650436
-1.11333235 -12.31738187 0.74365878
-0.00021498 -0.00025507 0.00016883
-0.00260388 0.00884917 0.01004900
-20.03359640 -0.30245710 5.36864665
-0.00014750 0.00048902 0.00003521
-0.00593058 0.00972748 0.00207869
-6.34671125 8.07502492 -25.17890006
0.00006847 0.00010692 0.00030794
0.00838539 -0.00007551 -0.02466551
2.28786858 1.92377136 -1.93504861
-0.00010833 -0.00001754 -0.00013632
-0.01403987 -0.01813000 0.00662802
14.55158174 8.20129496 4.15542473
-0.00017553 -0.00010085 -0.00006271
-0.00014908 0.00157985 -0.01495900
-8.23341072 -6.83590503 9.92313327
-0.00019336 -0.00016702 -0.00081091
0.03342627 -0.04356953 0.00736929
-10.43135333 -5.66914207 8.65134940
0.00013742 -0.00022463 0.00073823
0.00787203 0.00787556 0.00909415
-13.28241599 5.34696989 7.10186173
-0.00024796 -0.00074394 -0.00009065
0.00138768 0.00659468 0.00835971
-13.18255876 3.31922012 9.14047356
0.00081465 0.00037482 0.00089992
0.00155061 -0.01814248 -0.00080939
-14.57541331 1.57389125 4.16793040
-0.00024097 0.00026963 -0.00006746
0.02302055 0.00333007 0.02109303
-17.26766826 0.89990150 3.93821569
0.00024937 0.00031182 0.00041270
-0.04576337 -0.01792162 0.02185958
2.24509499 -21.44382331 12.59638635
-0.00016555 0.00105766 -0.00024234
0.01029271 0.04323698 0.02464937
3.55845622 -19.77146136 14.80366002
-0.00055607 -0.00002350 -0.00140826
-0.01266188 -0.00554960 -0.01446007
9.28470096 19.17220197 -0.04676926
0.00137464 0.00023484 -0.00001240
0.01770945 -0.01007978 -0.00230502
8.70655329 21.48534241 1.23535579
-0.00033323 -0.00012039 -0.00051475
-0.00463286 0.01754346 0.00625947
-10.52804056 12.13167030 16.68905091
-0.00068730 0.00023168 -0.00071161
0.00567933 -0.01602426 0.02127977
-11.13200926 14.58932538 15.75720535
0.00010879 0.00115700 0.00006649
-0.00670278 0.00428760 -0.01122781
-6.11866062 0.12726893 -14.40360441
-0.00014494 -0.00032662 -0.00012413
0.00829744 -0.00152277 -0.00519053
-7.45701417 0.35219554 -11.87077656
-0.00096952 -0.00058383 -0.00009849
0.02401487 0.00387354 0.00781952
-7.67888870 8.11283296 -7.27410729
0.00040725 -0.00056889 -0.00131781
-0.00279238 -0.00311846 0.00110252
-9.72170245 7.37136789 -5.33205259
0.00064767 0.00101979 -0.00098214
0.00620334 -0.00404750 -0.00719604
-7.56717169 -1.94490654 17.92569492
0.00016509 0.00062272 0.00006855
0.00817136 -0.03987466 0.00428253
-7.20892503 -4.38827036 19.79644103
-0.00042330 -0.00063474 -0.00003840
-0.00435885 0.00323853 -0.02677826
-24.26492026 -5.97364606 -23.87960722
0.00016348 0.00015859 -0.00058549
-0.02087835 0.00850433 0.00512269
-21.88582744 -7.12298367 -24.09966344
-0.00026098 -0.00160514 -0.00054717
-0.00437850 -0.01856250 0.00335980
8.65822091 13.30254281 4.88615318
0.00003550 0.00077422 0.00124977
0.00438065 -0.00326162 -0.00882247
9.74205888 12.13393285 7.45987719
0.00026802 0.00015952 0.00108672
0.01009353 -0.02406096 0.01040228
23.94736816 27.23343418 -2.59322179
-0.00137127 -0.00052306 0.00007507
-0.00567815 -0.01414554 0.00359336
22.25975660 29.30319768 -1.23292968
-0.00090023 -0.00093775 0.00005914
0.00939790 -0.00160124 -0.02177872
11.19355247 -0.20344060 -13.95539621
0.00085216 0.00098372 0.00119885
-0.01095515 0.00386452 -0.00553402
8.58383034 -1.29904488 -14.32706003
0.00100403 0.00022404 0.00093993
0.00083473 -0.00439881 0.00028389
-9.48303949 -1.16123448 14.18761939
0.00063182 0.00066099 -0.00071559
0.00133257 -0.01015540 -0.00781537
-9.11072110 -2.93843015 11.62513949
0.00079574 -0.00062718 -0.00105298
-0.00220171 -0.01079446 0.01404660
-3.18086171 -26.59592260 11.94683305
-0.00050399 -0.00040345 0.00019428
-0.00671872 0.00190277 -0.00554316
-3.19389794 -25.39820210 9.13190585
0.00006600 0.00062013 0.00005722
-0.01760256 0.00469177 -0.00915861
-15.00723827 -2.46242754 -6.81839144
-0.00007582 -0.00059838 -0.00026537
0.00252824 -0.00989720 0.00466657
-16.21235018 -3.89697435 -9.03173533
-0.00074361 -0.00027565 -0.00046185
-0.00967015 0.00132160 -0.00430602
-19.26559276 -9.35807115 -18.93517020
-0.00005365 -0.00103687 0.00082696
0.01417026 -0.01113623 -0.00495219
-18.24351291 -12.41279920 -18.93211298
0.00025127 -0.00017808 -0.00011310
0.00055820 0.02099909 -0.00502333
22.49664058 6.17903972 4.08173599
0.00036365 -0.00077650 0.00010485
0.00449206 0.00143469 -0.00068409
20.08657064 7.03541836 5.39060153
-0.00139972 -0.00048461 -0.00002199
-0.00980343 0.01206958 0.00214992
18.52004647 -11.13425358 -11.86009723
0.00082738 -0.00000653 -0.00141500
0.01814972 -0.00121072 -0.01490281
19.16708088 -10.39116195 -14.57574503
0.00031222 0.00091137 0.00068308
-0.00035345 0.00386760 -0.00558308
-1.72024152 0.46295395 -6.48357892
0.00069997 -0.00048887 0.00019799
-0.00016957 -0.01166172 -0.00679509
-4.40021630 1.00507794 -6.16307113
0.00009575 0.00012602 0.00021932
-0.01211395 -0.00926703 0.00160474
-3.40329119 -4.27306917 -19.04734590
-0.00052374 0.00089184 -0.00007787
0.00189352 0.01086061 0.02062543
-3.62805907 -1.49615340 -18.48107179
0.00028237 0.00014389 0.00007352
0.00197231 0.01902032 -0.00415877
14.38528436 18.08780052 -20.59638523
0.00089962 0.00061714 -0.00027882
-0.01102430 0.00190510 0.00864701
12.62958437 15.76479257 -21.30102713
0.00061184 -0.00005582 0.00071656
-0.01744560 0.00430786 0.00395169
-14.00237316 17.24574317 -11.76288931
0.00018643 0.00047268 0.00087063
-0.00535457 0.01014277 -0.01671158
-14.25803357 16.20861682 -14.55047338
0.00048988 0.00019390 -0.00049244
-0.00619947 0.02522981 0.02279779
1.91266118 15.94604012 6.24178875
0.00044927 -0.00048615 -0.00060765
0.00822921 -0.00875898 -0.00723109
-0.02696662 16.08069317 8.11285232
-0.00119319 0.00012528 0.00022096
-0.04775775 0.02413294 0.02747084
-4.53947086 -7.80210866 2.63292959
-0.00020057 0.00009204 0.00005763
0.00153831 -0.02566563 0.01077173
-3.19855273 -10.55320939 2.89128526
0.00008431 -0.00030116 -0.00078074
-0.01875361 0.02919909 0.00965661
1.54408816 -3.51190617 3.17983712
-0.00011425 0.00133056 0.00064058
0.00165393 -0.03590122 -0.00631086
3.36903831 -4.27565859 1.18053666
0.00010259 -0.00076538 0.00005074
-0.02979447 -0.03897360 0.02254559
8.27289390 7.34635201 3.20991857
0.00118452 -0.00095002 -0.00049339
-0.02268727 0.00315739 -0.02017008
11.17564997 7.90633952 3.56922240
-0.00051882 -0.00019524 0.00039306
0.00618738 -0.00102170 0.00382731
-8.33083682 -11.92505958 -2.13529272
-0.00040629 -0.00186028 -0.00007096
0.00387174 0.00721738 -0.00697518
-10.15463434 -9.88964764 -0.92696985
0.00031202 0.00033506 -0.00010813
-0.01184724 0.00692235 0.01023795
4.83476462 -16.61599200 -13.54118250
-0.00113860 -0.00118558 0.00020733
0.00799807 0.00158625 0.00858037
2.49979878 -16.29015923 -11.83962050
0.00004735 -0.00100317 0.00036378
-0.02950640 -0.03082132 0.04621436
4.45534169 -4.74511220 -4.40917189
0.00076498 -0.00001759 -0.00011523
0.00025051 -0.00929049 0.01235196
5.41441741 -6.50027701 -2.24530586
-0.00000036 0.00101479 -0.00050732
-0.00875034 0.00424132 -0.00317647
16.56558531 2.23900017 24.57390564
-0.00037686 -0.00099554 -0.00032765
0.00399162 0.00481589 -0.00485801
19.39059822 3.24844757 24.94122290
-0.00021072 -0.00031033 -0.00110438
-0.00954687 -0.00049628 0.00338086
-9.78024553 0.64854710 1.36192080
-0.00121672 0.00003051 0.00039124
-0.00772040 0.00413764 0.00326154
-10.06193119 3.35064103 2.67399681
-0.00056014 -0.00039018 -0.00030841
0.00173314 -0.00566097 -0.00721819
-5.14053673 13.76108644 -8.70217319
-0.00016820 0.00015680 -0.00010175
0.00225358 -0.00323805 0.00310997
-7.57129241 12.09829435 -9.39291226
-0.00005037 -0.00014381 -0.00061406
0.01947541 0.00593286 -0.00120404
1.26872980 11.71845143 -6.74592040
-0.00065215 0.00038725 0.00071461
-0.00283060 0.01629716 0.00358678
2.59615891 14.36575507 -6.19164144
0.00114391 -0.00098588 0.00081505
-0.01600998 -0.02237574 -0.01465388
-10.95602679 8.21604109 -12.80552866
-0.00077278 0.00079768 0.00037571
-0.00724410 0.02080370 -0.00747630
-11.69088134 9.92570891 -10.68472157
-0.00032055 0.00008711 0.00043578
-0.00333088 0.00986220 -0.01442205
7.09683029 5.20946202 13.93322512
-0.00021209 0.00047693 0.00042327
0.00311718 0.00826158 -0.00440582
9.61655963 3.76192407 14.39191921
-0.00037922 0.00093527 -0.00087574
0.00311679 0.00947102 -0.00522367
-14.13973113 11.64348549 -7.72901884
0.00027542 0.00031358 -0.00058482
-0.00628050 -0.01227357 0.01054979
-16.88420577 10.54195651 -8.04208142
-0.00007166 -0.00031133 -0.00024346
-0.00429044 0.00513564 -0.00147370
9.36715467 9.20175683 -2.79108166
0.00031950 -0.00094403 0.00028152
-0.01288709 -0.02665425 0.00689080
7.55235784 8.15488248 -4.52328276
-0.00077924 -0.00057786 -0.00027290
-0.02831442 0.00941506 -0.04377564
14.28726340 -19.09259489 -27.48123988
-0.00073747 0.00030368 0.00003699
-0.00106218 0.02745595 -0.01341714
13.84013222 -20.11889586 -24.80787881
0.00088094 0.00044186 -0.00015706
0.00299360 -0.00398129 -0.02117437
5.31978654 4.89317547 2.10654809
0.00097515 0.00046879 0.00072892
0.00326089 -0.01955511 0.00202121
5.44684523 7.05453797 0.19124952
0.00028345 0.00060949 0.00063244
0.00890705 0.00536600 -0.03767597
19.78652569 -5.03548816 -6.81175169
-0.00020855 0.00071399 0.00048950
-0.02258418 -0.02423134 -0.00931791
16.90887073 -4.85892001 -6.28928442
-0.00028208 -0.00003195 0.00009859
0.00783164 -0.01456396 -0.00769956
-2.55118531 -0.65880707 -1.07599752
0.00024494 -0.00044466 0.00053556
0.00809095 -0.02717954 -0.00245029
-2.76965039 -1.89619789 -3.67241175
-0.00099622 -0.00079674 0.00013085
0.01681154 -0.00823959 0.02948522
3.92952958 -3.61948002 -12.59530911
0.00058792 -0.00066046 -0.00033848
-0.01284911 0.01872381 0.00805245
1.12722013 -2.88092383 -11.80792594
-0.00009143 0.00021681 0.00006264
0.00089932 -0.00079189 -0.00048879
19.92610882 8.75548036 -7.81763559
0.00011781 0.00001357 0.00065610
0.00106285 -0.00494741 0.00804210
21.10523071 7.76148464 -5.20021998
-0.00036627 -0.00012890 -0.00006407
-0.01728452 0.01621193 -0.00914775
-7.37493321 3.89570081 8.50716770
-0.00054148 0.00133749 -0.00062808
0.00766208 -0.01700348 0.00095889
-6.71697491 6.25051124 9.95694706
-0.00007814 -0.00016972 -0.00068222
-0.00806585 -0.00143636 -0.00549051
-1.49680952 -17.94916048 11.60066952
0.00098308 -0.00029291 0.00010824
-0.00209063 -0.00273071 -0.00188828
-2.66574016 -15.86899294 9.81614265
0.00058962 -0.00032212 -0.00028651
0.01025402 -0.00587813 0.00746479
8.72887750 -0.28638585 -3.20675795
0.00131909 0.00012558 0.00075996
-0.00683088 0.00682550 -0.01540511
7.79666249 1.52424086 -5.57056704
0.00020778 -0.00006540 -0.00035229
0.00132016 -0.00273097 0.00986361
0.28265475 -11.91781364 1.93766848
0.00001737 0.00039328 -0.00025443
-0.00705345 0.00063420 -0.01080050
-1.48032272 -10.70867192 -0.14312394
-0.00027654 -0.00002457 -0.00019648
0.00838733 -0.00639725 -0.00275245
-19.31968158 -0.63660887 7.03602671
-0.00030047 0.00094072 0.00113562
-0.00435590 -0.00815156 0.00626960
-21.46672226 0.77387426 5.78381578
0.00044639 0.00013637 -0.00069460
0.00472545 -0.00347416 -0.00694975
-5.21676830 8.43097145 -26.72684649
0.00188671 0.00076440 -0.00020268
-0.00397523 -0.00418121 0.03814635
-5.26141883 7.85766885 -23.76588636
0.00039301 0.00045968 -0.00084810
0.01353731 -0.00106140 0.00801875
4.09815843 1.84898260 -2.06857202
-0.00056025 -0.00110539 0.00076889
0.00060270 -0.01846339 0.00197411
1.47677035 0.25960262 -1.54197137
-0.00063804 -0.00001216 -0.00046535
0.02207143 0.02365848 -0.01052940
14.69624057 7.61557521 5.90810613
-0.00070807 -0.00030029 0.00027284
-0.00000074 0.00721929 -0.00364996
14.99304931 9.96119974 3.90938035
-0.00044838 0.00140149 -0.00033411
0.00504728 -0.00391334 0.01223593
1.71301681 -11.68123087 -13.98877364
0.00033505 0.00016965 -0.00008788
0.01082113 0.00632551 0.00282592
-13.59737378 14.73677954 22.86304242
-0.00005700 0.00013685 0.00013724
-0.00038038 0.00188311 0.00138671
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02461506
0.34316419
457.24907639
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555959302
ExchangeOperator: pair fraction: ispin=0: 0.1318117902
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3418010536 (a.u.)
total exchange computation time: 2.6827099323 s
-154.0898199448
-931.36646053
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555959302
ExchangeOperator: pair fraction: ispin=0: 0.1318117902
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3417901691 (a.u.)
total exchange computation time: 2.6840090752 s
-154.0910991728
Anderson extrapolation: theta=1.4367421337 (1.4367421337)
-931.36669453
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555959302
ExchangeOperator: pair fraction: ispin=0: 0.1318117902
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.3417113137 (a.u.)
total exchange computation time: 2.6829791069 s
-154.0935242911
Anderson extrapolation: theta=0.0783219702 (0.0783219702)
-931.36684727
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555959302
ExchangeOperator: pair fraction: ispin=0: 0.1318117902
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3416531381 (a.u.)
total exchange computation time: 2.6822528839 s
-154.0942435814
Anderson extrapolation: theta=2.1529979440 (2.0000000000)
-931.36685603
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555959302
ExchangeOperator: pair fraction: ispin=0: 0.1318117902
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3415239660 (a.u.)
total exchange computation time: 2.6819200516 s
-154.0957716051
Anderson extrapolation: theta=0.2957713124 (0.2957713124)
-931.36686659
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555959302
ExchangeOperator: pair fraction: ispin=0: 0.1318117902
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3414901094 (a.u.)
total exchange computation time: 2.6812438965 s
-154.0961537549
Anderson extrapolation: theta=1.2512301580 (1.2512301580)
-931.36686885
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555959302
ExchangeOperator: pair fraction: ispin=0: 0.1318117902
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3414680042 (a.u.)
total exchange computation time: 2.6823830605 s
-154.0964205582
Anderson extrapolation: theta=0.4102537390 (0.4102537390)
-931.36687065
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555959302
ExchangeOperator: pair fraction: ispin=0: 0.1318117902
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3414789554 (a.u.)
total exchange computation time: 2.6820108891 s
-154.0963301513
Anderson extrapolation: theta=1.0274801653 (1.0274801653)
-931.36687111
-66.447754 -170.939301 -245.139941
-137.033861 458.401896 -807.264798
-203.481615 287.462595 -1052.404739
1109.772610
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555959302
ExchangeOperator: pair fraction: ispin=0: 0.1318117902
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3415040631 (a.u.)
total exchange computation time: 2.6814219952 s
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555959302
ExchangeOperator: pair fraction: ispin=0: 0.1318117902
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3415040631 (a.u.)
total exchange computation time: 2.6845679283 s
[qbox] save md179.xml
SampleWriter: write time: 1.501 s
SampleWriter: file size: 1595163516
SampleWriter: aggregate write rate: 1013.37 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: 0.0555959302
ExchangeOperator: pair fraction: ispin=0: 0.1318117902
ExchangeOperator: bisection time: 1.308 s
total exchange = -52.3415040631 (a.u.)
total exchange computation time: 2.6825308800 s
678.49085897
-1083.04751365
89.75721546
-389.50652336
-174.71940460
77.93194192
551.60419304
0.00000000
-931.36687124
-9.09306857 -5.32535832 9.89479251
0.00016349 0.00001411 0.00016708
-0.03514612 0.02390762 -0.02307085
-13.74744058 5.00010719 8.86374611
0.00002789 -0.00006334 -0.00019366
-0.00787908 0.01545195 -0.00636970
-15.90737426 1.48221013 2.99401700
-0.00006032 -0.00010946 0.00001674
0.02501571 0.01785006 -0.04517851
2.23019761 -19.71971834 13.51336510
-0.00021173 -0.00028647 0.00034155
-0.00725131 -0.03736959 -0.01964460
10.08106086 20.82366202 0.22086946
0.00022721 -0.00012172 -0.00040574
-0.01914200 -0.00869913 -0.00360923
-11.29446423 12.84955001 15.21343737
0.00003313 0.00004054 0.00009702
0.00575477 0.03417636 -0.01862982
-5.92116670 0.99129023 -12.81227329
0.00012490 -0.00005153 0.00009703
-0.03264232 -0.00895145 -0.00301440
-8.88925967 6.80939298 -6.87471095
-0.00011301 0.00014735 -0.00007908
-0.00747826 -0.00324076 -0.01337985
-7.22022613 -3.84632254 17.96182198
0.00029965 -0.00023455 -0.00014434
-0.01363242 0.03859174 0.02333090
-23.64922083 -7.67592574 -23.82245213
-0.00020748 0.00005849 -0.00045675
0.02365710 0.00690983 -0.00677294
8.72976977 13.41158542 6.69726673
0.00035799 0.00052907 -0.00015780
-0.01527606 0.03178719 0.00925003
22.92073506 28.69479327 -2.88182984
-0.00030709 -0.00008486 0.00030954
-0.01319311 0.02655698 0.01066698
9.59520914 0.18623281 -14.79153977
0.00018169 0.00023453 -0.00035207
0.02050716 -0.00398237 0.00758940
-9.29416924 -1.26826419 12.37493894
-0.00041123 -0.00022300 -0.00005504
-0.00291893 0.02375294 -0.01205490
-2.20519346 -25.93521143 10.51460926
0.00006112 -0.00001124 -0.00018843
0.02705712 -0.00798432 0.00924206
-15.37046351 -4.19274187 -7.47006860
-0.00018503 -0.00014298 -0.00039397
0.00193227 0.00391997 -0.00034645
-19.38751545 -11.08270464 -18.30474206
-0.00000667 0.00000390 -0.00014958
-0.01068733 -0.02288142 0.00967401
20.92004889 5.58882480 4.75899482
-0.00024695 0.00054095 0.00018060
0.00907619 -0.01963385 -0.00428631
19.81143637 -11.45852482 -13.23722743
0.00039209 0.00011847 0.00016650
-0.02766091 -0.00024929 0.00722807
-3.33845610 -0.44340591 -6.51589304
-0.00015855 -0.00003241 0.00006516
0.02326969 0.02733546 0.00267213
-3.56090016 -3.08703283 -17.61957240
0.00027449 0.00013722 -0.00011744
-0.00224966 -0.01974362 -0.01139918
14.30366055 16.46710596 -21.38704520
0.00009916 0.00011386 -0.00017289
0.03640987 0.00520993 -0.00967318
-14.55384647 17.85487696 -13.44908963
-0.00001673 0.00024482 -0.00025517
0.00921077 -0.04380670 0.00379921
1.28069412 15.01873869 7.67547443
-0.00014672 -0.00003468 -0.00045773
0.03266682 -0.01166271 -0.01705488
-4.19235426 -9.19911681 3.82791607
0.00033146 -0.00004818 -0.00006686
0.00992879 -0.01333201 -0.01890837
2.07952460 -5.16480311 2.34506900
0.00006967 0.00003941 0.00003192
0.02561339 0.07745814 -0.00443123
9.64608875 7.24322015 4.32710406
-0.00008534 0.00008431 -0.00021146
0.01809545 -0.01147363 0.02538064
-9.37825935 -10.40814908 -2.45287312
-0.00029429 -0.00009358 0.00037393
0.00801602 -0.01962020 -0.01224570
3.36784802 -15.59523399 -13.16110721
-0.00006949 0.00021781 -0.00028546
0.01733952 0.02510282 -0.04123285
3.86804398 -5.71417502 -2.91737186
0.00005025 -0.00010608 0.00055860
0.00964996 0.00875171 -0.01850232
18.35626443 1.81090089 24.40861699
-0.00004202 -0.00015049 -0.00006158
0.00031298 -0.01244543 -0.00332370
-9.03902173 2.31593756 1.54636422
-0.00003446 -0.00028314 -0.00001425
0.00819111 0.00559665 0.00427420
-5.73681306 12.29941336 -9.69914620
0.00031990 -0.00051182 0.00009337
-0.02647636 -0.00612292 -0.00071616
1.63950970 13.37175737 -7.48305325
0.00009321 0.00015092 -0.00002226
0.02026301 0.00406693 0.01665466
-11.34282646 10.03114098 -12.50516729
-0.00019547 -0.00021302 0.00002228
0.01131746 -0.02349829 0.02858480
7.82869028 3.72977145 14.68933677
0.00000441 -0.00048868 0.00017769
-0.00330159 0.00136501 -0.00579360
-15.21899731 10.14327074 -7.43898239
0.00024150 0.00049161 0.00062376
-0.00158682 0.00064954 -0.01001003
8.35453357 7.61561332 -3.06559856
-0.00036547 0.00001459 -0.00002160
0.03839690 0.01836055 0.04168715
14.12575651 -20.63048781 -26.59285744
-0.00007527 0.00015345 0.00026205
-0.00321258 -0.01416419 0.03277631
5.14594931 6.67276850 1.89258028
0.00000493 -0.00039738 0.00013804
-0.01418881 0.02126311 0.03247128
18.16737142 -5.82130688 -7.38018978
-0.00016276 0.00016912 0.00023605
0.01694462 0.03386608 0.01744476
-1.97418864 -2.25549537 -1.92225129
-0.00008128 -0.00003624 0.00024597
-0.02541947 0.03847549 -0.02024685
2.84059106 -2.18999024 -12.01607650
0.00002860 -0.00011561 0.00006005
0.01356065 -0.01798428 -0.00570294
19.84715564 8.97402274 -5.99421294
0.00031615 -0.00047788 0.00009156
0.01101095 -0.01262704 0.00316486
-7.73388057 5.67336596 8.53308942
-0.00001463 -0.00020880 -0.00027322
0.00095629 0.03594385 0.00977170
-1.67853516 -16.16278980 11.34041415
0.00008430 -0.00007405 -0.00004864
-0.00574183 0.00658667 -0.00158297
7.65226758 -0.11446314 -4.72268323
-0.00001765 0.00063802 -0.00005038
0.00700257 -0.01225981 0.02533517
-1.11656706 -12.32117382 0.74622998
-0.00021642 -0.00024978 0.00017367
-0.00299849 0.01172301 0.00876308
-20.03583174 -0.29508433 5.36918281
-0.00014869 0.00049286 0.00003736
0.00127539 0.00520014 0.00626916
-6.34565191 8.07662844 -25.17437604
0.00007314 0.00010738 0.00029272
0.00977412 0.00187489 -0.03452598
2.28618951 1.92343835 -1.93706788
-0.00011652 -0.00002712 -0.00013283
-0.01780829 -0.01914612 0.00696362
14.54894818 8.19978826 4.15442633
-0.00017499 -0.00009777 -0.00007033
0.00226216 0.01039967 -0.01464819
-8.23528684 -6.83974542 9.91119543
-0.00005601 -0.00034352 -0.00078019
0.03381003 -0.04282879 0.00766797
-10.42905085 -5.67227020 8.66270154
0.00016480 -0.00019136 0.00077173
0.00553038 0.00841126 0.00730504
-13.28609294 5.33601290 7.10075819
-0.00024126 -0.00071644 -0.00005999
0.00189512 0.00686472 0.00664762
-13.17029153 3.32428654 9.15394749
0.00082067 0.00030193 0.00089610
0.00139876 -0.01754193 -0.00105788
-14.57832241 1.57803779 4.16756483
-0.00014488 0.00028326 0.00001970
0.02401576 0.00334060 0.02157162
-17.26532997 0.90402960 3.94507609
0.00006091 0.00023807 0.00050248
-0.04649194 -0.01817668 0.02208441
2.24292713 -21.42663351 12.59350663
-0.00012366 0.00122516 -0.00014533
0.01021311 0.03875707 0.02283843
3.54972725 -19.77198398 14.78209305
-0.00059162 -0.00004665 -0.00145126
-0.00474238 -0.00578159 -0.00659179
9.30586327 19.17541574 -0.04702592
0.00144156 0.00018274 -0.00002341
0.01504791 -0.01542399 -0.00308191
8.70141290 21.48407418 1.22782628
-0.00034824 -0.00005129 -0.00049249
-0.00271606 0.01628224 0.00464102
-10.53817598 12.13465445 16.67902887
-0.00065746 0.00016051 -0.00061144
0.00892434 -0.01881224 0.02775471
-11.13058274 14.60681176 15.75785858
0.00008056 0.00115822 0.00001683
-0.00711768 -0.00369260 -0.01307950
-6.12058039 0.12232300 -14.40562536
-0.00010991 -0.00032970 -0.00014090
0.00884704 0.00001361 -0.00302065
-7.47082102 0.34355685 -11.87201426
-0.00086328 -0.00056396 -0.00006987
0.02799079 0.00584950 0.00618947
-7.67286545 8.10420400 -7.29384072
0.00039481 -0.00058278 -0.00131221
-0.00330060 -0.00367986 0.00164039
-9.71179728 7.38654079 -5.34700521
0.00066740 0.00100718 -0.00100082
0.00345403 -0.00212900 -0.00194630
-7.56444501 -1.93678768 17.92685446
0.00019960 0.00045185 0.00008608
0.00872328 -0.04376442 0.00429917
-7.21540809 -4.39769217 19.79504440
-0.00044074 -0.00062080 -0.00014906
-0.00418017 0.00358175 -0.02738898
-24.26310788 -5.97100667 -23.88823261
0.00008001 0.00019340 -0.00056434
-0.01997842 0.00853867 0.00523237
-21.88987634 -7.14762963 -24.10776801
-0.00027375 -0.00167714 -0.00053424
-0.00187274 -0.01668075 0.00296998
8.65888770 13.31405615 4.90462935
0.00005336 0.00075810 0.00119078
0.00435983 -0.00463068 -0.02005359
9.74638843 12.13558839 7.47649681
0.00030171 0.00006971 0.00112256
0.00640036 -0.01990284 0.00713834
23.92662513 27.22515487 -2.59198558
-0.00139115 -0.00058499 0.00009025
-0.00405203 -0.01617037 0.00383700
22.24654116 29.28908234 -1.23270990
-0.00086275 -0.00094258 -0.00002641
0.00894936 -0.00076339 -0.02009801
11.20599917 -0.18856633 -13.93758297
0.00079429 0.00100303 0.00116851
-0.01737334 0.00558718 -0.00932100
8.59891637 -1.29581907 -14.31295236
0.00100516 0.00020451 0.00094030
-0.00028039 -0.00516204 -0.00010283
-9.47352143 -1.15163078 14.17664610
0.00063642 0.00061878 -0.00073577
0.00091941 -0.01050953 -0.00206188
-9.09885240 -2.94816865 11.60977528
0.00078548 -0.00066140 -0.00098915
-0.00282164 -0.00595351 0.01719443
-3.18862741 -26.60191602 11.94957735
-0.00052604 -0.00039217 0.00016490
-0.00407619 0.00361750 -0.00883711
-3.19344729 -25.38875638 9.13248352
-0.00000568 0.00063962 0.00002017
-0.01748861 0.00484616 -0.00898048
-15.00829807 -2.47170658 -6.82222897
-0.00006493 -0.00063387 -0.00024561
0.00280183 -0.00747127 0.00500576
-16.22380071 -3.90106863 -9.03879510
-0.00078083 -0.00027028 -0.00047429
-0.00854870 0.00130926 -0.00178300
-19.26596336 -9.37396539 -18.92291752
0.00000615 -0.00106316 0.00079937
0.01510440 -0.00173709 -0.00855370
-18.23972681 -12.41482696 -18.93396339
0.00025131 -0.00008989 -0.00013214
-0.00053586 0.02217231 -0.00429752
22.50223292 6.16743623 4.08328780
0.00037782 -0.00076792 0.00010459
0.00244585 0.00276155 0.00055514
20.06527436 7.02851908 5.39033756
-0.00143914 -0.00042928 -0.00001305
-0.00949012 0.01501576 0.00222585
18.53301329 -11.13438865 -11.88177888
0.00089181 -0.00001063 -0.00146181
0.01338972 -0.00079669 -0.00801360
19.17175340 -10.37737293 -14.56566988
0.00031323 0.00092530 0.00065960
0.00084430 0.00295049 -0.00591272
-1.70974722 0.45526348 -6.48081736
0.00069156 -0.00053931 0.00017045
-0.00394508 -0.01302811 -0.00668396
-4.39915128 1.00668424 -6.15973217
0.00004732 0.00008859 0.00022578
-0.01159046 -0.00905173 0.00155760
-3.41108932 -4.25935884 -19.04788185
-0.00051478 0.00092947 0.00000010
0.00249472 0.00756066 0.01753876
-3.62376314 -1.49341228 -18.48009645
0.00029042 0.00022283 0.00005696
0.00197069 0.01962557 -0.00394613
14.39844087 18.09711600 -20.60030261
0.00085348 0.00061778 -0.00024661
-0.01156487 -0.00159015 0.00712030
12.63822738 15.76408727 -21.29015763
0.00053509 -0.00003973 0.00073345
-0.02012261 0.00356835 0.00431568
-13.99974079 17.25314419 -11.75034190
0.00016093 0.00051700 0.00079040
-0.00712557 0.01155308 -0.02256283
-14.25087531 16.21229851 -14.55716139
0.00046428 0.00029709 -0.00039770
-0.00633210 0.02528065 0.02357871
1.91965235 15.93847952 6.23245239
0.00047965 -0.00052097 -0.00063490
0.00664350 -0.00828659 -0.00610605
-0.04632797 16.08331190 8.11700845
-0.00136881 0.00021074 0.00032493
-0.03820756 0.01769740 0.02342353
-4.54243226 -7.80151447 2.63412419
-0.00019373 -0.00001334 0.00010211
0.00180834 -0.02592057 0.01099891
-3.19786273 -10.55683197 2.87987012
0.00000648 -0.00018008 -0.00073908
-0.01934618 0.03006851 0.01073667
1.54242504 -3.49304792 3.18925242
-0.00010248 0.00117212 0.00060780
0.00410849 -0.04165539 -0.00973712
3.36966420 -4.28833354 1.18198863
-0.00001699 -0.00092129 0.00014108
-0.02874438 -0.03734667 0.02167831
8.28996642 7.33219844 3.20189966
0.00108036 -0.00093626 -0.00058494
-0.02829929 0.00357802 -0.02464280
11.16805725 7.90337962 3.57523563
-0.00048408 -0.00019558 0.00040426
0.01082104 0.00085360 0.00165331
-8.33681253 -11.95274269 -2.13657083
-0.00039792 -0.00181763 -0.00010099
0.00022423 0.01365994 -0.00772499
-10.15031706 -9.88440963 -0.92827806
0.00026013 0.00036504 -0.00005823
-0.01355170 0.00775460 0.01418773
4.81793067 -16.63372709 -13.53780968
-0.00110280 -0.00117858 0.00023913
0.00952650 0.00184037 0.00698827
2.49960482 -16.30615127 -11.83274761
-0.00006376 -0.00111814 0.00053541
-0.02488156 -0.02545590 0.03779871
4.46682413 -4.74566076 -4.41052182
0.00076042 -0.00005975 -0.00005756
-0.00248715 -0.01134790 0.01587870
5.41414385 -6.48492516 -2.25301296
-0.00002638 0.00102515 -0.00051346
-0.00398480 0.00082968 0.00016875
16.56005479 2.22421461 24.56884204
-0.00035881 -0.00097472 -0.00034716
0.00484228 0.00537606 -0.00469073
19.38714483 3.24377735 24.92476081
-0.00024678 -0.00030633 -0.00108785
-0.00810482 0.00245628 0.00470825
-9.79873293 0.64913152 1.36788929
-0.00124554 0.00004821 0.00040307
-0.00638475 0.00452600 0.00253132
-10.07028018 3.34461480 2.66914950
-0.00055140 -0.00041182 -0.00033799
0.00254321 -0.00493036 -0.00726204
-5.14299061 13.76333918 -8.70360420
-0.00015987 0.00014058 -0.00009084
0.00182158 -0.00469903 0.00223067
-7.57145124 12.09631898 -9.40216001
0.00003163 -0.00011939 -0.00061885
0.02066573 0.00602286 -0.00114066
1.25886075 11.72475954 -6.73509136
-0.00066359 0.00045532 0.00072636
-0.00276886 0.01702653 0.00216581
2.61282696 14.35028128 -6.17986474
0.00107544 -0.00107727 0.00075032
-0.01750515 -0.02236174 -0.01703032
-10.96784042 8.22864378 -12.80012205
-0.00079931 0.00086754 0.00034182
-0.00574496 0.01339519 -0.00911261
-11.69579162 9.92731781 -10.67862685
-0.00033303 0.00012786 0.00037159
-0.00278152 0.01008485 -0.01699709
7.09374450 5.21686914 13.93943919
-0.00019615 0.00049998 0.00041121
0.00468198 0.00302015 -0.00149677
9.61096690 3.77624334 14.37862310
-0.00036286 0.00097204 -0.00089620
0.00488844 0.00852795 -0.00479528
-14.13579235 11.64781315 -7.73746780
0.00024905 0.00026343 -0.00054086
-0.00662557 -0.01227578 0.01096941
-16.88541215 10.53744393 -8.04577854
-0.00008288 -0.00029145 -0.00024738
-0.00120024 0.00459679 -0.00044218
9.37155229 9.18677960 -2.78664774
0.00026771 -0.00104778 0.00030819
-0.01246414 -0.02412943 0.00616431
7.53980166 8.14650305 -4.52871768
-0.00089010 -0.00053948 -0.00044479
-0.02595251 0.00937394 -0.04036448
14.27616880 -19.08719842 -27.48109622
-0.00074235 0.00041136 -0.00001630
-0.00132426 0.02525418 -0.01266925
13.85343800 -20.11238998 -24.81088359
0.00089158 0.00042642 -0.00023698
0.00221494 -0.00357610 -0.01794488
5.33451371 4.89960809 2.11754386
0.00098949 0.00037852 0.00073642
0.00375906 -0.02463065 0.00165141
5.45136998 7.06384469 0.19958164
0.00032046 0.00063035 0.00047608
0.00920684 0.00484695 -0.03886644
19.78270541 -5.02552082 -6.80469469
-0.00030262 0.00061364 0.00045024
-0.02346452 -0.02489041 -0.00990162
16.90487945 -4.85984562 -6.28804155
-0.00025140 -0.00009060 0.00006816
0.00718959 -0.01414115 -0.00719410
-2.54726326 -0.66630985 -1.06803914
0.00027620 -0.00055193 0.00052618
0.00720840 -0.02533073 -0.00214571
-2.78407854 -1.90840147 -3.66954556
-0.00092588 -0.00082895 0.00025443
0.01762092 -0.00752973 0.03101078
3.93795460 -3.62881316 -12.60013953
0.00052921 -0.00057688 -0.00030309
-0.01588638 0.02218901 0.00927076
1.12587629 -2.87769600 -11.80700134
-0.00008756 0.00021258 0.00006036
0.00099236 -0.00127726 -0.00062784
19.92790858 8.75553232 -7.80754768
0.00012232 -0.00000778 0.00067904
0.00114345 -0.00550630 0.00318672
21.09920702 7.76004797 -5.20146128
-0.00043110 -0.00006795 -0.00009807
-0.01445236 0.01362292 -0.00749889
-7.38282064 3.91524208 8.49777588
-0.00050569 0.00124314 -0.00062516
0.00985605 -0.02918258 0.00047180
-6.71839417 6.24792143 9.94654551
-0.00010815 -0.00017409 -0.00070075
-0.00662621 -0.00070301 -0.00357767
-1.48212735 -17.95363787 11.60223526
0.00097345 -0.00029863 0.00009932
-0.00262318 -0.00006792 -0.00247773
-2.65658165 -15.87400493 9.81207374
0.00063053 -0.00034645 -0.00025765
0.00977375 -0.00602828 0.00666228
8.74845458 -0.28429297 -3.19583066
0.00128012 0.00015576 0.00068197
-0.01224810 0.00794644 -0.02276983
7.79981957 1.52317616 -5.57554909
0.00021443 -0.00007085 -0.00031379
0.00193635 0.00006376 0.00898112
0.28269911 -11.91189503 1.93352101
-0.00001159 0.00039464 -0.00029805
-0.00712035 0.00003287 -0.01055154
-1.48421373 -10.70923644 -0.14615543
-0.00024186 -0.00005480 -0.00020580
0.00858470 -0.00840224 -0.00181184
-19.32432207 -0.62274782 7.05325313
-0.00032239 0.00090836 0.00115056
-0.00637593 -0.00768791 0.00104417
-21.45988160 0.77581329 5.77318389
0.00045499 0.00012995 -0.00072048
-0.00051714 0.00033521 -0.00572073
-5.18858947 8.44230938 -26.72871778
0.00186096 0.00074540 -0.00004008
-0.00862692 -0.00512267 0.04144837
-5.25510889 7.86453147 -23.77836215
0.00045470 0.00045354 -0.00080295
0.01666249 -0.00194288 0.01408354
4.08977320 1.83183603 -2.05697822
-0.00055012 -0.00117960 0.00077597
0.00435611 -0.01786632 0.00149258
1.46787605 0.26014518 -1.54927425
-0.00054815 0.00008554 -0.00050822
0.02193357 0.02416637 -0.01045746
14.68561951 7.61129207 5.91208686
-0.00070791 -0.00026841 0.00025380
0.00007942 0.00838700 -0.00566961
14.98647832 9.98210213 3.90474365
-0.00043227 0.00136538 -0.00028060
0.00283742 -0.01376309 0.01395573
1.71807160 -11.67866915 -13.99008427
0.00033890 0.00017191 -0.00008690
0.01069405 0.00631333 0.00266319
-13.59822937 14.73883560 22.86510339
-0.00005706 0.00013731 0.00013757
-0.00018035 0.00205018 0.00148397
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02447804
0.34239320
456.22177857
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.339 s
total exchange = -52.3432324102 (a.u.)
total exchange computation time: 2.6063721180 s
-154.0952297461
-931.36391786
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.340 s
total exchange = -52.3431516923 (a.u.)
total exchange computation time: 2.6044089794 s
-154.0967606192
Anderson extrapolation: theta=1.3675633597 (1.3675633597)
-931.36413381
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.338 s
total exchange = -52.3429579738 (a.u.)
total exchange computation time: 2.6046710014 s
-154.0995165572
Anderson extrapolation: theta=0.0620555525 (0.0620555525)
-931.36426784
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.339 s
total exchange = -52.3428783281 (a.u.)
total exchange computation time: 2.6082251072 s
-154.1002717656
Anderson extrapolation: theta=2.1400028480 (2.0000000000)
-931.36427469
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.339 s
total exchange = -52.3426991838 (a.u.)
total exchange computation time: 2.6038219929 s
-154.1019095520
Anderson extrapolation: theta=0.3206234720 (0.3206234720)
-931.36428355
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.341 s
total exchange = -52.3426422615 (a.u.)
total exchange computation time: 2.6047089100 s
-154.1023847881
Anderson extrapolation: theta=1.3663498585 (1.3663498585)
-931.36428587
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.338 s
total exchange = -52.3425862264 (a.u.)
total exchange computation time: 2.6043269634 s
-154.1028078100
Anderson extrapolation: theta=0.3961555100 (0.3961555100)
-931.36428819
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.340 s
total exchange = -52.3425863741 (a.u.)
total exchange computation time: 2.6037988663 s
-154.1027562494
Anderson extrapolation: theta=0.9863161035 (0.9863161035)
-931.36428893
-66.425044 -170.963101 -245.143189
-137.028054 458.391109 -807.292654
-203.453098 287.428007 -1052.435843
1109.787919
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.340 s
total exchange = -52.3426027327 (a.u.)
total exchange computation time: 2.6050629616 s
678.51779561
-1083.10242292
89.75451208
-389.46812781
-174.72344362
77.96375459
551.60419304
0.00000000
-931.36428939
-9.09075181 -5.32505444 9.89720970
0.00014634 0.00002558 0.00015564
-0.03155282 0.02068041 -0.02139689
-13.74705260 4.99921664 8.86081669
0.00002381 -0.00005575 -0.00019645
-0.00797247 0.01409162 -0.00448516
-15.90818253 1.48063712 2.99409385
-0.00004766 -0.00010043 -0.00000621
0.02420627 0.01724973 -0.04407410
2.22699365 -19.72415961 13.51841261
-0.00021768 -0.00030423 0.00032993
-0.01586034 -0.03169192 -0.02556061
10.08439519 20.82180274 0.21476945
0.00021740 -0.00012442 -0.00040695
-0.01899037 -0.00182587 -0.00110751
-11.29394501 12.85028989 15.21482076
0.00003549 0.00006064 0.00008630
0.00338774 0.04399967 -0.02304968
-5.91941915 0.99048281 -12.81082940
0.00010714 -0.00005696 0.00009534
-0.03642398 -0.01216923 -0.00356256
-8.89098361 6.81159079 -6.87594884
-0.00011599 0.00014530 -0.00008747
-0.00411605 -0.00476325 -0.01924490
-7.21578401 -3.84969188 17.95974691
0.00029240 -0.00021395 -0.00013225
-0.01456732 0.04148826 0.02368873
-23.65224176 -7.67502173 -23.82932951
-0.00019628 0.00006161 -0.00046008
0.01989393 0.00522457 -0.00617172
8.73508077 13.41964403 6.69493537
0.00035124 0.00054448 -0.00014918
-0.01099830 0.02816959 0.02428131
22.91607785 28.69362286 -2.87714559
-0.00031391 -0.00007111 0.00031445
-0.01332597 0.02690692 0.00844245
9.59801358 0.18973547 -14.79679154
0.00019391 0.00023222 -0.00034718
0.02703262 -0.00501502 0.01142125
-9.30034887 -1.27151756 12.37406678
-0.00041246 -0.00021195 -0.00006359
-0.00187870 0.01921751 -0.02118913
-2.20417231 -25.93541086 10.51181846
0.00007424 -0.00001578 -0.00018303
0.02397951 -0.00965259 0.01175660
-15.37323158 -4.19487146 -7.47597952
-0.00018444 -0.00014150 -0.00039486
0.00037161 0.00183125 -0.00309000
-19.38765673 -11.08273439 -18.30694848
-0.00001214 -0.00001066 -0.00014383
-0.01058356 -0.03375351 0.01269988
20.91637972 5.59686337 4.76168721
-0.00024189 0.00052991 0.00017808
0.01058135 -0.02329631 -0.00550342
19.81721096 -11.45674877 -13.23470212
0.00037909 0.00011837 0.00016825
-0.02287590 -0.00010887 -0.00040856
-3.34074462 -0.44378666 -6.51490531
-0.00014586 -0.00001815 0.00006653
0.02608078 0.02813474 0.00265474
-3.55679151 -3.08505072 -17.62137792
0.00027316 0.00012798 -0.00012249
-0.00292102 -0.01617828 -0.00823367
14.30528846 16.46883389 -21.38967589
0.00011852 0.00011756 -0.00017759
0.03887137 0.00919076 -0.00860053
-14.55406187 17.85838024 -13.45290252
-0.00001160 0.00022210 -0.00025195
0.01074599 -0.04454303 0.00873026
1.27861936 15.01817350 7.66854275
-0.00013218 -0.00003898 -0.00046562
0.02387627 -0.00506634 -0.01364720
-4.18734412 -9.19989087 3.82684021
0.00033655 -0.00005518 -0.00007670
0.00987603 -0.01391810 -0.01935352
2.08066841 -5.16391311 2.34553068
0.00008185 0.00007992 0.00003082
0.02177411 0.08006120 0.00016940
9.64487849 7.24444054 4.32403001
-0.00007607 0.00007792 -0.00019691
0.01795363 -0.01336494 0.03119404
-9.38264272 -10.40962842 -2.44731148
-0.00028891 -0.00010540 0.00036684
0.01290400 -0.02634326 -0.01529247
3.36687256 -15.59187001 -13.16554819
-0.00006228 0.00022904 -0.00030380
0.01068155 0.01856151 -0.03009091
3.86883502 -5.71573247 -2.90906423
0.00005456 -0.00010030 0.00054736
0.00708729 0.01372134 -0.02521533
18.35563529 1.80859556 24.40768054
-0.00004247 -0.00015776 -0.00006363
-0.00206746 -0.01584133 -0.00465351
-9.03950704 2.31171205 1.54616694
-0.00003068 -0.00028059 -0.00001189
0.00652600 0.00433541 0.00490550
-5.73211669 12.29171251 -9.69774842
0.00030620 -0.00051454 0.00009326
-0.02680028 -0.00446616 0.00030033
1.64098603 13.37403683 -7.48332286
0.00010393 0.00015280 -0.00001285
0.02142994 0.00323136 0.01992017
-11.34571479 10.02785510 -12.50472279
-0.00019021 -0.00022293 0.00003792
0.00910723 -0.01505135 0.03222969
7.82874376 3.72244654 14.69197975
0.00000195 -0.00048620 0.00017368
-0.00628119 0.00826056 -0.00978653
-15.21538097 10.15064741 -7.42966456
0.00023978 0.00049204 0.00061823
-0.00508463 0.00100835 -0.01151530
8.34919970 7.61590298 -3.06576177
-0.00034677 0.00002340 -0.00000120
0.03430598 0.01590740 0.03764020
14.12461514 -20.62824071 -26.58880025
-0.00007660 0.00014673 0.00027760
-0.00198194 -0.01196240 0.02770757
5.14596858 6.66688979 1.89477608
-0.00000260 -0.00038513 0.00015463
-0.01509136 0.02636999 0.03207352
18.16499539 -5.81863947 -7.37658178
-0.00015375 0.00018641 0.00024475
0.01809164 0.03339513 0.01640097
-1.97550585 -2.25589051 -1.91863988
-0.00009423 -0.00001723 0.00023511
-0.02493738 0.03542777 -0.02198001
2.84107234 -2.19179381 -12.01519780
0.00003624 -0.00012540 0.00005680
0.01615856 -0.02007667 -0.00690367
19.85194042 8.96680580 -5.99282737
0.00032084 -0.00048341 0.00009405
0.00722147 -0.00888560 0.00653534
-7.73409630 5.67037264 8.52902878
-0.00001514 -0.00018743 -0.00026861
-0.00293779 0.04716595 0.00817131
-1.67729281 -16.16387512 11.33967838
0.00008163 -0.00007135 -0.00004899
-0.00465546 0.00391270 0.00025343
7.65202978 -0.10494013 -4.72334116
-0.00001301 0.00063040 -0.00003534
0.01106599 -0.01737789 0.03314957
-1.11982490 -12.32487534 0.74886878
-0.00021809 -0.00024307 0.00017782
-0.00349796 0.01436190 0.00739123
-20.03805724 -0.28767143 5.36976734
-0.00014615 0.00049434 0.00004160
0.00860248 0.00055299 0.01021417
-6.34451717 8.07824642 -25.17011838
0.00007848 0.00010877 0.00027284
0.01098862 0.00350186 -0.04277724
2.28437306 1.92295764 -1.93903344
-0.00012646 -0.00003706 -0.00012922
-0.02087481 -0.01950411 0.00707182
14.54633207 8.19836178 4.15331492
-0.00017329 -0.00009041 -0.00007777
0.00433534 0.01823421 -0.01429608
-8.23509087 -6.84621062 9.89972754
0.00008022 -0.00051248 -0.00074837
0.03287489 -0.03987747 0.00790642
-10.42640943 -5.67488283 8.67450138
0.00018196 -0.00015628 0.00079732
0.00287316 0.00876082 0.00521869
-13.28965375 5.32547661 7.10006207
-0.00023246 -0.00068804 -0.00003654
0.00241256 0.00703665 0.00483266
-13.15793858 3.32827789 9.16735658
0.00082552 0.00023308 0.00089084
0.00097576 -0.01616084 -0.00151663
-14.57975968 1.58238907 4.16852130
-0.00004676 0.00029676 0.00010725
0.02401349 0.00326875 0.02128521
-17.26584100 0.90704372 3.95328997
-0.00012680 0.00016485 0.00059072
-0.04539265 -0.01766696 0.02110944
2.24138520 -21.40706843 12.59202658
-0.00008225 0.00137212 -0.00005723
0.01005517 0.03317922 0.02028393
3.54070763 -19.77286092 14.76012210
-0.00059306 -0.00007056 -0.00146088
0.00403981 -0.00591933 0.00188266
9.32794781 19.17768423 -0.04747146
0.00149754 0.00010887 -0.00003738
0.01235323 -0.02073579 -0.00375735
8.69610605 21.48380383 1.22058120
-0.00035518 0.00001223 -0.00047713
-0.00067826 0.01481083 0.00287651
-10.54776445 12.13648566 16.67070781
-0.00061516 0.00007887 -0.00048611
0.01178493 -0.02115435 0.03359554
-11.12959243 14.62407184 15.75771022
0.00005083 0.00112814 -0.00003974
-0.00743578 -0.01103085 -0.01461343
-6.12195796 0.11737790 -14.40783143
-0.00007276 -0.00032658 -0.00014879
0.00933760 0.00151595 -0.00084350
-7.48291243 0.33527666 -11.87287263
-0.00074203 -0.00053660 -0.00004729
0.03135826 0.00754395 0.00486261
-7.66704448 8.09534951 -7.31347362
0.00038028 -0.00059879 -0.00130447
-0.00381162 -0.00415671 0.00215114
-9.70168042 7.40158320 -5.36207710
0.00067567 0.00100275 -0.00099751
0.00059210 -0.00003967 0.00356428
-7.56118372 -1.93135098 17.92827747
0.00023595 0.00026732 0.00010360
0.00906868 -0.04656349 0.00427666
-7.22214734 -4.40689447 19.79196920
-0.00045744 -0.00060578 -0.00026105
-0.00399481 0.00377423 -0.02743206
-24.26251990 -5.96784398 -23.89653733
0.00000088 0.00022739 -0.00054275
-0.01875491 0.00809865 0.00533677
-21.89404001 -7.17329789 -24.11569057
-0.00027594 -0.00174120 -0.00052302
0.00080230 -0.01467627 0.00252126
8.65982169 13.32528570 4.92187651
0.00007097 0.00073645 0.00108573
0.00425936 -0.00596527 -0.03136730
9.75111024 12.13602416 7.49355392
0.00031981 -0.00000241 0.00114442
0.00245848 -0.01540251 0.00356312
23.90563378 27.21588454 -2.59051420
-0.00140506 -0.00065426 0.00010622
-0.00276082 -0.01773995 0.00397764
22.23387419 29.27492021 -1.23372185
-0.00082758 -0.00094366 -0.00010398
0.00826290 0.00023461 -0.01787741
11.21738113 -0.17334966 -13.92034098
0.00071201 0.00102878 0.00112334
-0.02290042 0.00701923 -0.01279045
8.61398522 -1.29290963 -14.29885100
0.00100202 0.00018231 0.00093893
-0.00125553 -0.00570544 -0.00056824
-9.46394702 -1.14267118 14.16554644
0.00063952 0.00057552 -0.00073203
0.00059832 -0.01066707 0.00389266
-9.08715663 -2.95827202 11.59546486
0.00077257 -0.00067626 -0.00091286
-0.00349972 -0.00132186 0.02015446
-3.19664292 -26.60768774 11.95178007
-0.00053753 -0.00037411 0.00012267
-0.00155047 0.00522351 -0.01183549
-3.19406844 -25.37901365 9.13251081
-0.00007594 0.00065925 -0.00001497
-0.01690377 0.00476286 -0.00821824
-15.00918617 -2.48144352 -6.82575971
-0.00005290 -0.00065914 -0.00022440
0.00308799 -0.00490110 0.00537594
-16.23577516 -3.90508267 -9.04596413
-0.00081324 -0.00026494 -0.00047612
-0.00731662 0.00130499 0.00088640
-19.26540826 -9.38996609 -18.91118906
0.00006975 -0.00104996 0.00075698
0.01603011 0.00820063 -0.01219710
-18.23597354 -12.41549586 -18.93607717
0.00024733 0.00000238 -0.00014839
-0.00141457 0.02299596 -0.00365634
22.50797515 6.15600198 4.08487362
0.00038339 -0.00075400 0.00010942
0.00028236 0.00405636 0.00181210
20.04339648 7.02254006 5.39021000
-0.00147662 -0.00036328 -0.00000435
-0.00885969 0.01728791 0.00203468
18.54680072 -11.13457256 -11.90395165
0.00093501 -0.00001267 -0.00147879
0.00775537 -0.00020259 -0.00029399
19.17647765 -10.36340310 -14.55595709
0.00031927 0.00093534 0.00063491
0.00211622 0.00196422 -0.00617440
-1.69949470 0.44677457 -6.47846543
0.00066832 -0.00059472 0.00014341
-0.00743031 -0.01409643 -0.00655208
-4.39879660 1.00773579 -6.15629774
0.00000113 0.00005214 0.00023207
-0.01102094 -0.00879145 0.00152265
-3.41873456 -4.24518514 -19.04734292
-0.00050339 0.00095277 0.00006427
0.00307871 0.00384752 0.01387230
-3.61934644 -1.48946839 -18.47936296
0.00029852 0.00030305 0.00004186
0.00199319 0.01964097 -0.00344790
14.41088861 18.10633403 -20.60378361
0.00080517 0.00060426 -0.00022060
-0.01208142 -0.00503152 0.00561469
12.64563716 15.76360066 -21.27902364
0.00044880 -0.00002622 0.00075177
-0.02211597 0.00304728 0.00465386
-13.99754512 17.26125325 -11.73917729
0.00012880 0.00056640 0.00068809
-0.00860313 0.01262918 -0.02751887
-14.24410512 16.21752955 -14.56240434
0.00043825 0.00039968 -0.00030052
-0.00641265 0.02493871 0.02399174
1.92705068 15.93041106 6.22274182
0.00050337 -0.00055380 -0.00065743
0.00496921 -0.00778211 -0.00492525
-0.06803092 16.08701524 8.12260012
-0.00150343 0.00026874 0.00041151
-0.02768758 0.01069443 0.01895981
-4.54528283 -7.80250885 2.63599286
-0.00018610 -0.00011859 0.00014669
0.00192600 -0.02560099 0.01082272
-3.19835839 -10.55861178 2.86911299
-0.00007291 -0.00005660 -0.00069362
-0.01951646 0.03037706 0.01151327
1.54101370 -3.47674258 3.19807098
-0.00008148 0.00099256 0.00056216
0.00617273 -0.04623879 -0.01260406
3.36852846 -4.30329733 1.18476918
-0.00013069 -0.00106943 0.00022646
-0.02690922 -0.03516767 0.02011450
8.30530458 7.31826415 3.19237049
0.00095571 -0.00092120 -0.00069304
-0.03271611 0.00379527 -0.02827343
11.16112771 7.90047204 3.58135019
-0.00043056 -0.00018832 0.00040667
0.01537649 0.00270062 -0.00047352
-8.34277451 -11.97958863 -2.13832238
-0.00040335 -0.00174986 -0.00013355
-0.00288266 0.01951459 -0.00821457
-10.14683030 -9.87869637 -0.92871675
0.00020194 0.00039802 0.00000654
-0.01493408 0.00839042 0.01751604
4.80168056 -16.65134940 -13.53400857
-0.00106114 -0.00117030 0.00026453
0.01086758 0.00221359 0.00544489
2.49788597 -16.32370341 -11.82355818
-0.00015437 -0.00120932 0.00066995
-0.01947153 -0.01917770 0.02805890
4.47815415 -4.74690479 -4.41089862
0.00074502 -0.00010947 0.00001327
-0.00504792 -0.01298715 0.01879010
5.41362608 -6.46952246 -2.26070972
-0.00003222 0.00102142 -0.00050578
0.00112472 -0.00265556 0.00359405
16.55482103 2.20975852 24.56349095
-0.00033747 -0.00095165 -0.00036600
0.00560283 0.00591682 -0.00453459
19.38319473 3.23925766 24.90858726
-0.00027675 -0.00029014 -0.00106600
-0.00656643 0.00546974 0.00598932
-9.81761163 0.64999333 1.37401291
-0.00126873 0.00006750 0.00041185
-0.00496749 0.00491940 0.00176749
-10.07847330 3.33828640 2.66385712
-0.00053960 -0.00043011 -0.00036741
0.00323313 -0.00402271 -0.00713958
-5.14533285 13.76530393 -8.70489850
-0.00015330 0.00011837 -0.00008350
0.00139670 -0.00617628 0.00136183
-7.57034355 12.09471272 -9.41147768
0.00011721 -0.00009480 -0.00062314
0.02122734 0.00601205 -0.00095928
1.24882200 11.73211114 -6.72412959
-0.00067497 0.00052572 0.00073248
-0.00279990 0.01743137 0.00082965
2.62842219 14.33343702 -6.16913177
0.00100167 -0.00116760 0.00067686
-0.01860511 -0.02185590 -0.01892964
-10.98000614 8.24206741 -12.79527392
-0.00081943 0.00090524 0.00030103
-0.00410400 0.00505728 -0.01085807
-11.70087237 9.92954477 -10.67357382
-0.00034345 0.00016938 0.00029800
-0.00231709 0.01023988 -0.01902551
7.09094564 5.22446136 13.94556153
-0.00017412 0.00050186 0.00041090
0.00610200 -0.00209897 0.00134218
9.60567376 3.79108525 14.36503311
-0.00034003 0.00100488 -0.00091477
0.00628670 0.00754932 -0.00429431
-14.13225963 11.65138847 -7.74524450
0.00022175 0.00021385 -0.00049530
-0.00674005 -0.01199435 0.01132920
-16.88669209 10.53321308 -8.04950276
-0.00008140 -0.00027372 -0.00024696
0.00192174 0.00408073 0.00064501
9.37518604 9.17032356 -2.78183604
0.00021851 -0.00113989 0.00033207
-0.01162056 -0.02096280 0.00552442
7.52565495 8.13869810 -4.53662639
-0.00098916 -0.00050230 -0.00059915
-0.02254053 0.00882673 -0.03519919
14.26499303 -19.08025421 -27.48172901
-0.00074836 0.00050859 -0.00006554
-0.00161859 0.02234210 -0.01143277
13.86687953 -20.10610327 -24.81498815
0.00089897 0.00041305 -0.00030251
0.00140479 -0.00296847 -0.01413135
5.34947126 4.90453120 2.12864084
0.00100593 0.00026919 0.00074232
0.00428970 -0.02889072 0.00123640
5.45645898 7.07344845 0.20553178
0.00035814 0.00064829 0.00031830
0.00924056 0.00393377 -0.03836664
19.77744708 -5.01707893 -6.79824453
-0.00039867 0.00051144 0.00040918
-0.02355434 -0.02513677 -0.01019585
16.90132880 -4.86163789 -6.28723959
-0.00022371 -0.00014714 0.00004012
0.00636274 -0.01353628 -0.00653385
-2.54289944 -0.67536505 -1.06021227
0.00030341 -0.00065042 0.00051871
0.00611473 -0.02287714 -0.00150861
-2.79742677 -1.92106652 -3.66477883
-0.00085278 -0.00085805 0.00038305
0.01816251 -0.00671171 0.03194803
3.94540601 -3.63678643 -12.60440179
0.00045916 -0.00048058 -0.00026330
-0.01840751 0.02495085 0.01020615
1.12459326 -2.87454645 -11.80611521
-0.00008325 0.00020644 0.00005753
0.00111666 -0.00172757 -0.00075876
19.92977842 8.75524682 -7.79726448
0.00012712 -0.00003141 0.00068170
0.00120858 -0.00605897 -0.00188462
21.09229760 7.75944620 -5.20316215
-0.00048347 -0.00001846 -0.00012479
-0.01118317 0.01060077 -0.00558032
-7.39010403 3.93299487 8.48841298
-0.00046102 0.00109926 -0.00062433
0.01201389 -0.04124305 -0.00006512
-6.72021952 6.24528854 9.93592470
-0.00013191 -0.00017527 -0.00071097
-0.00500192 0.00012474 -0.00142656
-1.46760594 -17.95811942 11.60364915
0.00096159 -0.00029346 0.00008805
-0.00318519 0.00259903 -0.00303712
-2.64682414 -15.87938638 9.80841313
0.00066912 -0.00037121 -0.00023271
0.00911345 -0.00609079 0.00554694
8.76728102 -0.28171309 -3.18629884
0.00122049 0.00019023 0.00057631
-0.01694203 0.00892967 -0.02895274
7.80309532 1.52211536 -5.57998072
0.00022361 -0.00006483 -0.00027908
0.00255863 0.00288157 0.00801084
0.28230708 -11.90597441 1.92872688
-0.00004045 0.00039362 -0.00034029
-0.00700497 -0.00053297 -0.01012184
-1.48757862 -10.71031589 -0.14929795
-0.00020656 -0.00009281 -0.00021146
0.00869807 -0.01020615 -0.00095911
-19.32935331 -0.60935795 7.07054354
-0.00035230 0.00087774 0.00114464
-0.00826474 -0.00730509 -0.00394024
-21.45307263 0.77777287 5.76220139
0.00044172 0.00013952 -0.00074130
-0.00597945 0.00434825 -0.00446859
-5.16093936 8.45333336 -26.72804885
0.00181737 0.00072290 0.00013376
-0.01271085 -0.00588844 0.04364437
-5.24777776 7.87127501 -23.78997482
0.00052829 0.00044401 -0.00073424
0.01936111 -0.00272212 0.01955210
4.08165495 1.81359450 -2.04529294
-0.00052524 -0.00125130 0.00078120
0.00782096 -0.01723101 0.00106973
1.46032598 0.26216880 -1.55721804
-0.00045970 0.00018383 -0.00055042
0.02135899 0.02394726 -0.01019687
14.67500332 7.60752293 5.91572012
-0.00070743 -0.00023204 0.00022682
0.00015680 0.00941674 -0.00753686
14.98008122 10.00216104 3.90096224
-0.00042458 0.00129119 -0.00022054
0.00092861 -0.02255078 0.01544709
1.72318380 -11.67607354 -13.99138060
0.00034269 0.00017417 -0.00008597
0.01048579 0.00630516 0.00251955
-13.59908560 14.74089879 22.86716952
-0.00005708 0.00013780 0.00013793
0.00002023 0.00220930 0.00157692
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02420873
0.34008067
453.14043687
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.340 s
total exchange = -52.3455125355 (a.u.)
total exchange computation time: 2.6084539890 s
-154.1032744479
-931.36029704
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.338 s
total exchange = -52.3453584180 (a.u.)
total exchange computation time: 2.6046009064 s
-154.1052202694
Anderson extrapolation: theta=1.3548507175 (1.3548507175)
-931.36051285
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.338 s
total exchange = -52.3450489562 (a.u.)
total exchange computation time: 2.6059999466 s
-154.1086033167
Anderson extrapolation: theta=0.0571257861 (0.0571257861)
-931.36064377
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.339 s
total exchange = -52.3449479802 (a.u.)
total exchange computation time: 2.6059448719 s
-154.1094616459
Anderson extrapolation: theta=2.0326289962 (2.0000000000)
-931.36064948
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.338 s
total exchange = -52.3447151475 (a.u.)
total exchange computation time: 2.6044969559 s
-154.1113704364
Anderson extrapolation: theta=0.2541114180 (0.2541114180)
-931.36065615
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.339 s
total exchange = -52.3446451211 (a.u.)
total exchange computation time: 2.6046140194 s
-154.1118823673
Anderson extrapolation: theta=1.6696633966 (1.6696633966)
-931.36065758
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.341 s
total exchange = -52.3445448252 (a.u.)
total exchange computation time: 2.6064269543 s
-154.1125471409
Anderson extrapolation: theta=0.3036090617 (0.3036090617)
-931.36065920
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.338 s
total exchange = -52.3445326174 (a.u.)
total exchange computation time: 2.6040229797 s
-154.1125602920
Anderson extrapolation: theta=1.1931519103 (1.1931519103)
-931.36065962
-66.408620 -170.989434 -245.145967
-137.024307 458.376899 -807.320265
-203.432927 287.387465 -1052.466233
1109.802542
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.340 s
total exchange = -52.3445323603 (a.u.)
total exchange computation time: 2.6072318554 s
678.55710790
-1083.18392661
89.75113002
-389.41123166
-174.72920721
78.01053142
551.60419304
0.00000000
-931.36065993
-9.08867847 -5.32459102 9.89946182
0.00013143 0.00003490 0.00014515
-0.02642803 0.01557847 -0.01940259
-13.74672613 4.99843480 8.85785266
0.00001973 -0.00004906 -0.00019805
-0.00792084 0.01190502 -0.00172974
-15.90880405 1.47919718 2.99383069
-0.00003563 -0.00009188 -0.00002807
0.02255684 0.01600601 -0.04092496
2.22366734 -19.72884537 13.52326292
-0.00022818 -0.00031877 0.00031540
-0.02498206 -0.02483492 -0.03092375
10.08758301 20.81992937 0.20866089
0.00020765 -0.00012361 -0.00040689
-0.01892423 0.00500201 0.00136147
-11.29339966 12.85136920 15.21602632
0.00003673 0.00008541 0.00007350
0.00145872 0.05230673 -0.02671441
-5.91795261 0.98958150 -12.80941300
0.00008762 -0.00006394 0.00009330
-0.03946038 -0.01499561 -0.00436506
-8.89273931 6.81375186 -6.87733519
-0.00011721 0.00014238 -0.00009884
-0.00061890 -0.00656256 -0.02495327
-7.21145427 -3.85274115 17.95785459
0.00028472 -0.00019213 -0.00012012
-0.01525999 0.04337007 0.02347812
-23.65510922 -7.67407741 -23.83625451
-0.00018713 0.00006396 -0.00046308
0.01569748 0.00389296 -0.00549367
8.74030692 13.42791995 6.69279133
0.00034672 0.00055797 -0.00013292
-0.00656343 0.02427408 0.03893321
22.91131783 28.69266004 -2.87239621
-0.00032062 -0.00005738 0.00031812
-0.01276470 0.02647290 0.00581427
9.60102656 0.19319944 -14.80195519
0.00020920 0.00022938 -0.00034040
0.03240801 -0.00602834 0.01494448
-9.30654301 -1.27462268 12.37303115
-0.00041318 -0.00020320 -0.00007675
-0.00093624 0.01479468 -0.02998865
-2.20296616 -25.93568476 10.50911836
0.00008569 -0.00002107 -0.00017658
0.02054969 -0.01092018 0.01331606
-15.37599677 -4.19698692 -7.48191428
-0.00018467 -0.00014113 -0.00039717
-0.00125100 -0.00037990 -0.00589919
-19.38787966 -11.08302454 -18.30905692
-0.00001761 -0.00003074 -0.00013652
-0.01068737 -0.04430258 0.01572305
20.91279218 5.60472222 4.76433715
-0.00023615 0.00051720 0.00017502
0.01174248 -0.02615255 -0.00639332
19.82280906 -11.45497357 -13.23217996
0.00036874 0.00011834 0.00016587
-0.01736601 -0.00003036 -0.00883351
-3.34283193 -0.44395036 -6.51389709
-0.00013185 -0.00000358 0.00006788
0.02841134 0.02850037 0.00258447
-3.55270540 -3.08319342 -17.62324696
0.00027149 0.00012083 -0.00012584
-0.00357865 -0.01163039 -0.00479698
14.30721626 16.47063273 -21.39237293
0.00013891 0.00012318 -0.00018174
0.04038616 0.01268092 -0.00751925
-14.55419436 17.86153988 -13.45664806
-0.00000577 0.00019923 -0.00024634
0.01189379 -0.04437821 0.01307875
1.27672880 15.01756923 7.66150579
-0.00012225 -0.00003987 -0.00047171
0.01470894 0.00159528 -0.01002921
-4.18225779 -9.20077230 3.82561504
0.00034155 -0.00006247 -0.00008657
0.00955715 -0.01443335 -0.01901372
2.08198020 -5.16240546 2.34599367
0.00009193 0.00012129 0.00003215
0.01740310 0.08079785 0.00497512
9.64380674 7.24555782 4.32119661
-0.00006721 0.00007065 -0.00017973
0.01649503 -0.01493395 0.03563808
-9.38692655 -10.41131098 -2.44186781
-0.00028126 -0.00012042 0.00035835
0.01682604 -0.03208697 -0.01774158
3.36597950 -15.58836283 -13.17022131
-0.00005852 0.00023671 -0.00031626
0.00395572 0.01127421 -0.01833151
3.86968073 -5.71718407 -2.90095114
0.00005744 -0.00009209 0.00053285
0.00411832 0.01820181 -0.03118243
18.35499020 1.80616802 24.40670818
-0.00004413 -0.00016676 -0.00006633
-0.00435582 -0.01915831 -0.00587262
-9.03994202 2.30751999 1.54600750
-0.00002774 -0.00027872 -0.00000924
0.00489210 0.00291277 0.00539973
-5.72762707 12.28397720 -9.69634832
0.00029250 -0.00051637 0.00009364
-0.02646464 -0.00267294 0.00115449
1.64262769 13.37634123 -7.48343880
0.00011516 0.00015421 -0.00000193
0.02223122 0.00225858 0.02253952
-11.34853285 10.02445311 -12.50402964
-0.00018611 -0.00022827 0.00005528
0.00686002 -0.00570953 0.03528534
7.82874879 3.71518535 14.69454723
-0.00000187 -0.00048027 0.00016769
-0.00858655 0.01482565 -0.01353046
-15.21180387 10.15803187 -7.42043558
0.00023624 0.00049256 0.00061195
-0.00866971 0.00101147 -0.01289269
8.34413049 7.61631536 -3.06563459
-0.00033054 0.00003088 0.00001670
0.02880876 0.01316730 0.03196309
14.12345847 -20.62608589 -26.58452930
-0.00007729 0.00014130 0.00029026
-0.00070220 -0.00914159 0.02151717
5.14587143 6.66121451 1.89721931
-0.00001049 -0.00037045 0.00017061
-0.01561720 0.03074107 0.03004922
18.16275894 -5.81571444 -7.37284725
-0.00014432 0.00020329 0.00025279
0.01859054 0.03221748 0.01485111
-1.97701545 -2.25601234 -1.91519804
-0.00010679 -0.00000001 0.00022344
-0.02390172 0.03156029 -0.02337930
2.84167829 -2.19375226 -12.01437237
0.00004507 -0.00013608 0.00005302
0.01816402 -0.02146268 -0.00782033
19.85678092 8.95952031 -5.99139137
0.00032348 -0.00048690 0.00009822
0.00304879 -0.00468529 0.00967609
-7.73433469 5.66774320 8.52503118
-0.00001764 -0.00016055 -0.00026486
-0.00680183 0.05732905 0.00638574
-1.67608638 -16.16493025 11.33894457
0.00007956 -0.00007003 -0.00004832
-0.00338087 0.00121837 0.00233622
7.65187735 -0.09555118 -4.72374335
-0.00000646 0.00062020 -0.00001658
0.01439427 -0.02226445 0.03980568
-1.12310973 -12.32846607 0.75156461
-0.00022004 -0.00023510 0.00018124
-0.00409912 0.01665731 0.00592141
-20.04021638 -0.28025427 5.37043067
-0.00013988 0.00049343 0.00004778
0.01580596 -0.00409014 0.01382601
-6.34329765 8.07989142 -25.16619073
0.00008445 0.00011092 0.00024921
0.01224378 0.00487014 -0.04912804
2.28239556 1.92232646 -1.94094444
-0.00013774 -0.00004699 -0.00012562
-0.02297310 -0.01911271 0.00692779
14.54374941 8.19707598 4.15209322
-0.00017062 -0.00007930 -0.00008501
0.00607287 0.02497400 -0.01384580
-8.23288013 -6.85511977 9.88874420
0.00021017 -0.00066530 -0.00071563
0.03073708 -0.03493162 0.00812351
-10.42359193 -5.67695854 8.68662106
0.00018777 -0.00012016 0.00081390
-0.00002989 0.00891691 0.00289795
-13.29306670 5.31537158 7.09966212
-0.00022139 -0.00065881 -0.00002100
0.00300530 0.00727476 0.00277098
-13.14552583 3.33127880 9.18067273
0.00082820 0.00017103 0.00088345
0.00033340 -0.01421247 -0.00210320
-14.57972526 1.58694068 4.17078225
0.00004928 0.00030974 0.00019203
0.02299884 0.00308510 0.02021498
-17.26913398 0.90897510 3.96279757
-0.00030646 0.00009516 0.00067259
-0.04255052 -0.01644724 0.01896822
2.24045950 -21.38546993 12.59178966
-0.00004163 0.00149388 0.00001873
0.00982896 0.02642269 0.01690046
3.53193559 -19.77410064 14.73826652
-0.00055737 -0.00009479 -0.00143524
0.01342738 -0.00594354 0.01066809
9.35078943 19.17868190 -0.04814727
0.00154265 0.00001385 -0.00005383
0.00972778 -0.02577769 -0.00429550
8.69075764 21.48444117 1.21351241
-0.00035369 0.00006937 -0.00046916
0.00140299 0.01315775 0.00102674
-10.55663068 12.13702041 16.66444570
-0.00056235 -0.00001106 -0.00033902
0.01406548 -0.02286634 0.03840401
-11.12905784 14.64065588 15.75666625
0.00002002 0.00106969 -0.00010187
-0.00764413 -0.01757788 -0.01579743
-6.12276326 0.11252570 -14.41008920
-0.00003376 -0.00031748 -0.00014794
0.00975631 0.00293717 0.00126157
-7.49308200 0.32745880 -11.87343298
-0.00060834 -0.00050292 -0.00002954
0.03408295 0.00894566 0.00382434
-7.66145710 8.08624028 -7.33297468
0.00036375 -0.00061669 -0.00129464
-0.00427875 -0.00460345 0.00265720
-9.69152728 7.41662319 -5.37693056
0.00067226 0.00100712 -0.00097169
-0.00226163 0.00217898 0.00907381
-7.55736665 -1.92876798 17.92996258
0.00027329 0.00007356 0.00012096
0.00921138 -0.04828524 0.00422022
-7.22913142 -4.41586546 19.78721279
-0.00047338 -0.00059028 -0.00037205
-0.00380827 0.00381072 -0.02690307
-24.26308134 -5.96418496 -23.90451498
-0.00007261 0.00025866 -0.00052075
-0.01722014 0.00720865 0.00543144
-21.89815452 -7.19986560 -24.12345861
-0.00026704 -0.00179689 -0.00051374
0.00355507 -0.01258279 0.00202352
8.66101671 13.33614965 4.93720129
0.00008806 0.00070950 0.00093561
0.00410705 -0.00722565 -0.04211834
9.75598272 12.13551596 7.51082939
0.00032172 -0.00005592 0.00115135
-0.00152433 -0.01078807 -0.00017189
23.88447322 27.20552700 -2.58879906
-0.00141448 -0.00072881 0.00012250
-0.00184888 -0.01875008 0.00399454
22.22171362 29.26077245 -1.23582943
-0.00079572 -0.00094037 -0.00017143
0.00733458 0.00137779 -0.01513550
11.22735961 -0.15770279 -13.90388286
0.00060915 0.00105979 0.00106480
-0.02745085 0.00815795 -0.01586226
8.62897711 -1.29034984 -14.28478445
0.00099521 0.00015838 0.00093547
-0.00208172 -0.00600699 -0.00112367
-9.45433593 -1.13436531 14.15468534
0.00064153 0.00053196 -0.00070407
0.00038911 -0.01065307 0.00979219
-9.07567534 -2.96845640 11.58238962
0.00075682 -0.00067289 -0.00082500
-0.00421103 0.00297206 0.02285129
-3.20475346 -26.61313933 11.95325743
-0.00053904 -0.00034978 0.00006892
0.00081147 0.00668723 -0.01447296
-3.19572557 -25.36897903 9.13203444
-0.00014287 0.00067803 -0.00004585
-0.01585904 0.00443392 -0.00689833
-15.00988501 -2.49148082 -6.82896098
-0.00003970 -0.00067376 -0.00020167
0.00337461 -0.00225411 0.00575253
-16.24819802 -3.90901672 -9.05307884
-0.00084049 -0.00025959 -0.00046696
-0.00601968 0.00131018 0.00360202
-19.26387075 -9.40546420 -18.90020812
0.00013707 -0.00099587 0.00069991
0.01692283 0.01827690 -0.01573776
-18.23230697 -12.41475543 -18.93841504
0.00024026 0.00009722 -0.00016223
-0.00204518 0.02342541 -0.00311990
22.51373468 6.14481633 4.08657050
0.00038002 -0.00073483 0.00011936
-0.00193177 0.00532654 0.00305272
20.02097561 7.01762055 5.39020714
-0.00151075 -0.00028957 0.00000297
-0.00784675 0.01879688 0.00154632
18.56106345 -11.13476887 -11.92614243
0.00095342 -0.00001194 -0.00146280
0.00125961 0.00056356 0.00811960
19.18133161 -10.34931288 -14.54662270
0.00033061 0.00094110 0.00060941
0.00343376 0.00085863 -0.00630749
-1.68969756 0.43742174 -6.47651506
0.00063161 -0.00065383 0.00011696
-0.01054206 -0.01483820 -0.00639580
-4.39911735 1.00824854 -6.15277000
-0.00004263 0.00001683 0.00023825
-0.01040231 -0.00849442 0.00149914
-3.42619112 -4.23077565 -19.04595380
-0.00048970 0.00096022 0.00011239
0.00362384 -0.00020284 0.00968560
-3.61480758 -1.48432077 -18.47884078
0.00030675 0.00038211 0.00002934
0.00203631 0.01905876 -0.00267984
14.42259593 18.11524369 -20.60692051
0.00075484 0.00057705 -0.00020058
-0.01255342 -0.00828544 0.00418378
12.65169153 15.76330081 -21.26760444
0.00035603 -0.00001427 0.00077137
-0.02329989 0.00279850 0.00493809
-13.99587671 17.27013630 -11.72969920
0.00009126 0.00061950 0.00056746
-0.00977615 0.01336333 -0.03153090
-14.23772793 16.22428898 -14.56617693
0.00041200 0.00050007 -0.00020241
-0.00643244 0.02420404 0.02403394
1.93475355 15.92186567 6.21272940
0.00052015 -0.00058447 -0.00067509
0.00324078 -0.00723462 -0.00372007
-0.09143073 16.09137400 8.12935376
-0.00159438 0.00029801 0.00047945
-0.01683512 0.00363668 0.01429509
-4.54801536 -7.80507221 2.63852482
-0.00017832 -0.00022134 0.00018973
0.00188266 -0.02469521 0.01024520
-3.20005014 -10.55852989 2.85906147
-0.00015217 0.00006695 -0.00064565
-0.01928032 0.03009976 0.01197047
1.53998067 -3.46327103 3.20611708
-0.00005278 0.00079656 0.00050586
0.00787396 -0.04970467 -0.01495090
3.36574356 -4.32041640 1.18878247
-0.00023515 -0.00120749 0.00030390
-0.02422738 -0.03241551 0.01779419
8.31863771 7.30456246 3.18110854
0.00081609 -0.00090560 -0.00081363
-0.03562871 0.00383989 -0.03075763
11.15514053 7.89772997 3.58743573
-0.00035893 -0.00017372 0.00040065
0.01968425 0.00444700 -0.00247133
-8.34891314 -12.00523859 -2.14057737
-0.00042035 -0.00165954 -0.00016758
-0.00543809 0.02470073 -0.00844301
-10.14425880 -9.87246889 -0.92808195
0.00013896 0.00043304 0.00008320
-0.01589845 0.00875140 0.02001093
4.78609648 -16.66883604 -13.52987377
-0.00101459 -0.00116016 0.00028383
0.01192106 0.00274914 0.00400422
2.49497378 -16.34243087 -11.81264912
-0.00022220 -0.00127377 0.00076349
-0.01373471 -0.01236935 0.01772786
4.48917479 -4.74894475 -4.41012383
0.00071958 -0.00016497 0.00009463
-0.00740402 -0.01418392 0.02103831
5.41317724 -6.45428251 -2.26818621
-0.00001686 0.00100351 -0.00048412
0.00639527 -0.00611354 0.00700772
16.54993065 2.19566505 24.55786196
-0.00031326 -0.00092642 -0.00038423
0.00624943 0.00643587 -0.00438547
19.37884220 3.23507320 24.89278078
-0.00030038 -0.00026171 -0.00103908
-0.00499856 0.00844599 0.00718686
-9.83679476 0.65115663 1.38024485
-0.00128599 0.00008835 0.00041744
-0.00348370 0.00528524 0.00096849
-10.08646828 3.33171147 2.65812719
-0.00052523 -0.00044435 -0.00039601
0.00380229 -0.00294987 -0.00686003
-5.14758948 13.76689016 -8.70610933
-0.00014836 0.00009016 -0.00007967
0.00101736 -0.00763162 0.00051590
-7.56793491 12.09347492 -9.42085413
0.00020377 -0.00007049 -0.00062649
0.02114551 0.00588776 -0.00067976
1.23861166 11.74053104 -6.71311698
-0.00068668 0.00059705 0.00073334
-0.00293215 0.01748457 -0.00040685
2.64287719 14.31525330 -6.15955893
0.00092428 -0.00125489 0.00059666
-0.01928065 -0.02087176 -0.02033066
-10.99242338 8.25580098 -12.79109124
-0.00083263 0.00090735 0.00025300
-0.00235655 -0.00402439 -0.01265095
-11.70609513 9.93239929 -10.66968679
-0.00035216 0.00021135 0.00021738
-0.00194760 0.01030098 -0.02044081
7.08852075 5.23192494 13.95176613
-0.00014671 0.00048356 0.00042152
0.00731810 -0.00686010 0.00385673
9.60076591 3.80638984 14.35117993
-0.00031242 0.00103369 -0.00093121
0.00722982 0.00655015 -0.00375153
-14.12913998 11.65422870 -7.75232686
0.00019445 0.00016598 -0.00044845
-0.00662181 -0.01143678 0.01160695
-16.88785425 10.52923231 -8.05318745
-0.00006732 -0.00025803 -0.00024207
0.00497389 0.00360024 0.00174806
9.37810760 9.15258280 -2.77668576
0.00017366 -0.00121780 0.00035351
-0.01033317 -0.01717098 0.00497286
7.51012682 8.13143411 -4.54669232
-0.00107249 -0.00046811 -0.00072953
-0.01824699 0.00790876 -0.02861985
14.25371807 -19.07194075 -27.48306248
-0.00075566 0.00059226 -0.00010869
-0.00195830 0.01861466 -0.00969075
13.88040715 -20.09999848 -24.81995876
0.00090303 0.00040252 -0.00035137
0.00057985 -0.00218528 -0.00978710
5.36469171 4.90768370 2.13981358
0.00102448 0.00014465 0.00074634
0.00479058 -0.03207325 0.00072847
5.46211431 7.08329330 0.20913058
0.00039539 0.00066164 0.00016592
0.00899130 0.00260096 -0.03622304
19.77074519 -5.01017757 -6.79241923
-0.00049346 0.00040912 0.00036753
-0.02284255 -0.02495099 -0.01019397
16.89816809 -4.86425974 -6.28683805
-0.00019977 -0.00020085 0.00001507
0.00535735 -0.01275882 -0.00572879
-2.53816087 -0.68582231 -1.05247785
0.00032575 -0.00073766 0.00051453
0.00482048 -0.01983133 -0.00053870
-2.80966188 -1.93414291 -3.65805413
-0.00077806 -0.00088360 0.00051424
0.01841135 -0.00579632 0.03227035
3.95172930 -3.64323055 -12.60803855
0.00037987 -0.00037445 -0.00022027
-0.02040271 0.02699979 0.01085944
1.12337868 -2.87150277 -11.80527558
-0.00007836 0.00019854 0.00005418
0.00127841 -0.00213788 -0.00087680
19.93172233 8.75458999 -7.78709677
0.00013215 -0.00005724 0.00066353
0.00125206 -0.00658388 -0.00700877
21.08470280 7.75949411 -5.20520502
-0.00052164 0.00001783 -0.00014315
-0.00749868 0.00716529 -0.00340474
-7.39665114 3.94822003 8.47904608
-0.00040787 0.00090795 -0.00062571
0.01400210 -0.05240581 -0.00061196
-6.72235142 6.24266329 9.92521646
-0.00014870 -0.00017292 -0.00071198
-0.00321539 0.00102775 0.00092970
-1.45327974 -17.96244168 11.60487690
0.00094739 -0.00027757 0.00007460
-0.00376195 0.00517796 -0.00354884
-2.63650811 -15.88514111 9.80509247
0.00070466 -0.00039604 -0.00021292
0.00828440 -0.00606498 0.00414167
8.78506915 -0.27858594 -3.17854143
0.00114320 0.00022841 0.00044778
-0.02089094 0.00975661 -0.03396142
7.80652788 1.52123116 -5.58392140
0.00023532 -0.00004742 -0.00024846
0.00317209 0.00564083 0.00697453
0.28148575 -11.90008645 1.92331241
-0.00006846 0.00039036 -0.00038040
-0.00670885 -0.00106086 -0.00951621
-1.49041044 -10.71202084 -0.15249926
-0.00017099 -0.00013771 -0.00021386
0.00871165 -0.01176874 -0.00021735
-19.33489106 -0.59641577 7.08759247
-0.00038954 0.00084850 0.00111912
-0.00996618 -0.00700723 -0.00855543
-21.44663011 0.77999894 5.75094503
0.00040609 0.00016559 -0.00075706
-0.01145792 0.00841133 -0.00324885
-5.13406824 8.46399645 -26.72470513
0.00175812 0.00069761 0.00031451
-0.01629403 -0.00649256 0.04483409
-5.23926007 7.87785173 -23.80038922
0.00061155 0.00043160 -0.00064496
0.02139581 -0.00335320 0.02414729
4.07401601 1.79429694 -2.03354211
-0.00048715 -0.00132028 0.00078483
0.01082354 -0.01653516 0.00070565
1.45408491 0.26566005 -1.56578675
-0.00037455 0.00027970 -0.00059117
0.02032508 0.02297973 -0.00975093
14.66439674 7.60433092 5.91889148
-0.00070661 -0.00019176 0.00019264
0.00024393 0.01030094 -0.00919236
14.97374104 10.02083789 3.89812752
-0.00042398 0.00118361 -0.00015492
-0.00063783 -0.03010961 0.01667487
1.72835229 -11.67344408 -13.99266340
0.00034641 0.00017642 -0.00008510
0.01028173 0.00629292 0.00236545
-13.59994175 14.74296968 22.86924114
-0.00005705 0.00013833 0.00013830
0.00022443 0.00235533 0.00165735
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02418401
0.33647591
448.33728291
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.340 s
total exchange = -52.3479887933 (a.u.)
total exchange computation time: 2.6051919460 s
-154.1140112538
-931.35580056
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.339 s
total exchange = -52.3477715854 (a.u.)
total exchange computation time: 2.6035940647 s
-154.1164477492
Anderson extrapolation: theta=1.3441800775 (1.3441800775)
-931.35602404
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.337 s
total exchange = -52.3473920970 (a.u.)
total exchange computation time: 2.6048169136 s
-154.1203966370
Anderson extrapolation: theta=0.0514851738 (0.0514851738)
-931.35615727
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.337 s
total exchange = -52.3473008430 (a.u.)
total exchange computation time: 2.6048350334 s
-154.1212042493
Anderson extrapolation: theta=1.8704651416 (1.8704651416)
-931.35616219
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.338 s
total exchange = -52.3471049146 (a.u.)
total exchange computation time: 2.6053748131 s
-154.1228895039
Anderson extrapolation: theta=0.2128889059 (0.2128889059)
-931.35616721
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.340 s
total exchange = -52.3470542503 (a.u.)
total exchange computation time: 2.6060938835 s
-154.1232836249
Anderson extrapolation: theta=1.8486858430 (1.8486858430)
-931.35616815
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.339 s
total exchange = -52.3469764400 (a.u.)
total exchange computation time: 2.6042149067 s
-154.1238420025
Anderson extrapolation: theta=0.2892386414 (0.2892386414)
-931.35616933
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.339 s
total exchange = -52.3469708069 (a.u.)
total exchange computation time: 2.6045608521 s
-154.1238340794
Anderson extrapolation: theta=1.3219069755 (1.3219069755)
-931.35616962
-66.399188 -171.019238 -245.146171
-137.022283 458.359088 -807.347746
-203.421471 287.339850 -1052.493917
1109.814367
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0554505814
ExchangeOperator: pair fraction: ispin=0: 0.1312493240
ExchangeOperator: bisection time: 1.339 s
total exchange = -52.3469762959 (a.u.)
total exchange computation time: 2.6118998528 s
678.60513671
-1083.28388915
89.74726546
-389.34134727
-174.73635928
78.06751525
551.60419304
0.00000000
-931.35616983
-9.08680901 -5.32400741 9.90156426
0.00011944 0.00004124 0.00013572
-0.02017871 0.00907623 -0.01726857
-13.74646077 4.99774480 8.85487529
0.00001571 -0.00004362 -0.00019813
-0.00771076 0.00925204 0.00139824
-15.90925156 1.47788073 2.99325180
-0.00002461 -0.00008408 -0.00004787
0.02033034 0.01431454 -0.03608381
2.22014829 -19.73372273 13.52787466
-0.00024341 -0.00032951 0.00029837
-0.03425079 -0.01692591 -0.03531333
10.09062483 20.81809459 0.20256284
0.00019790 -0.00011937 -0.00040559
-0.01902214 0.01144812 0.00368514
-11.29284305 12.85285205 15.21702580
0.00003715 0.00011401 0.00005908
0.00015592 0.05894014 -0.02935051
-5.91679048 0.98856450 -12.80803027
0.00006671 -0.00007228 0.00009081
-0.04184218 -0.01741017 -0.00534568
-8.89449977 6.81586230 -6.87891405
-0.00011668 0.00013852 -0.00011308
0.00264987 -0.00845726 -0.03041459
-7.20724227 -3.85545584 17.95614339
0.00027675 -0.00016956 -0.00010822
-0.01575126 0.04439817 0.02278683
-23.65785557 -7.67310306 -23.84322188
-0.00018019 0.00006571 -0.00046572
0.01127480 0.00292886 -0.00478313
8.74548243 13.43638315 6.69094765
0.00034446 0.00056946 -0.00010946
-0.00224290 0.02040326 0.05231649
22.90645933 28.69190144 -2.86760198
-0.00032687 -0.00004407 0.00032035
-0.01154232 0.02529105 0.00287472
9.60428957 0.19661690 -14.80700355
0.00022696 0.00022603 -0.00033189
0.03664783 -0.00701789 0.01815646
-9.31274436 -1.27761365 12.37176416
-0.00041346 -0.00019664 -0.00009427
-0.00014979 0.01071338 -0.03812502
-2.20160149 -25.93604290 10.50652098
0.00009533 -0.00002691 -0.00016957
0.01693513 -0.01180230 0.01396431
-15.37877162 -4.19910531 -7.48789455
-0.00018573 -0.00014190 -0.00040091
-0.00286239 -0.00262111 -0.00865900
-19.38818504 -11.08365648 -18.31104406
-0.00002319 -0.00005602 -0.00012769
-0.01102466 -0.05402600 0.01859233
20.90929524 5.61237932 4.76693777
-0.00022993 0.00050322 0.00017160
0.01245212 -0.02821228 -0.00691732
19.82827319 -11.45319860 -13.22972594
0.00036141 0.00011832 0.00015901
-0.01115657 -0.00003627 -0.01784054
-3.34470005 -0.44389419 -6.51286894
-0.00011676 0.00001108 0.00006918
0.03026183 0.02851782 0.00246313
-3.54864690 -3.08142584 -17.62515300
0.00026949 0.00011622 -0.00012738
-0.00420301 -0.00631158 -0.00119752
14.30945562 16.47252940 -21.39512799
0.00015983 0.00013044 -0.00018534
0.04098450 0.01553652 -0.00648186
-14.55423510 17.86435716 -13.46029270
0.00000055 0.00017664 -0.00023865
0.01269032 -0.04345124 0.01683055
1.27495171 15.01697726 7.65439145
-0.00011698 -0.00003744 -0.00047595
0.00579180 0.00787362 -0.00644208
-4.17709773 -9.20176507 3.82424318
0.00034632 -0.00007002 -0.00009608
0.00902314 -0.01491564 -0.01796418
2.08342624 -5.16027448 2.34649504
0.00009962 0.00016264 0.00003601
0.01251922 0.07998985 0.01004173
9.64286224 7.24655989 4.31863815
-0.00005943 0.00006263 -0.00016065
0.01377032 -0.01624177 0.03854141
-9.39108057 -10.41324109 -2.43656101
-0.00027186 -0.00013814 0.00034878
0.01974408 -0.03679112 -0.01945022
3.36511696 -15.58476868 -13.17503585
-0.00005811 0.00024055 -0.00032272
-0.00234444 0.00364721 -0.00680921
3.87055821 -5.71849525 -2.89307861
0.00005875 -0.00008173 0.00051550
0.00099317 0.02209729 -0.03631713
18.35431150 1.80359268 24.40569052
-0.00004691 -0.00017743 -0.00006963
-0.00644946 -0.02232181 -0.00695640
-9.04033925 2.30335040 1.54588972
-0.00002562 -0.00027761 -0.00000637
0.00333985 0.00139528 0.00577700
-5.72334163 12.27622127 -9.69493932
0.00027913 -0.00051727 0.00009441
-0.02555041 -0.00080889 0.00184758
1.64444085 13.37866304 -7.48338085
0.00012672 0.00015510 0.00001017
0.02271081 0.00119737 0.02454063
-11.35129800 10.02100707 -12.50306428
-0.00018313 -0.00022866 0.00007406
0.00470557 0.00417029 0.03773319
7.82868758 3.70803854 14.69701032
-0.00000668 -0.00047107 0.00015982
-0.01012378 0.02094267 -0.01706875
-15.20829365 10.16542413 -7.41130606
0.00023086 0.00049297 0.00060497
-0.01225172 0.00057644 -0.01424258
8.33928353 7.61682932 -3.06526083
-0.00031741 0.00003686 0.00003141
0.02226174 0.01008623 0.02524178
14.12229639 -20.62400160 -26.58009235
-0.00007732 0.00013744 0.00029952
0.00057242 -0.00587912 0.01449831
5.14565379 6.65577638 1.89989437
-0.00001856 -0.00035374 0.00018521
-0.01574586 0.03422199 0.02672427
18.16066591 -5.81254085 -7.36899815
-0.00013479 0.00021941 0.00025992
0.01847072 0.03046435 0.01287630
-1.97870944 -2.25589070 -1.91193656
-0.00011869 0.00001507 0.00021113
-0.02240432 0.02705895 -0.02448970
2.84242436 -2.19587629 -12.01360727
0.00005478 -0.00014732 0.00004883
0.01960550 -0.02221815 -0.00847617
19.86164493 8.95219868 -5.98988073
0.00032391 -0.00048815 0.00010390
-0.00138805 -0.00015810 0.01241661
-7.73462556 5.66555604 8.52108285
-0.00002208 -0.00012891 -0.00026208
-0.01044088 0.06571584 0.00444364
-1.67490603 -16.16597598 11.33822879
0.00007818 -0.00007007 -0.00004654
-0.00199624 -0.00136873 0.00459293
7.65183597 -0.08633400 -4.72383845
0.00000162 0.00060758 0.00000533
0.01702713 -0.02681031 0.04536816
-1.12642618 -12.33192828 0.75430612
-0.00022233 -0.00022603 0.00018390
-0.00478884 0.01861045 0.00441840
-20.04225358 -0.27286867 5.37120066
-0.00013000 0.00049019 0.00005573
0.02259999 -0.00850534 0.01708166
-6.34198367 8.08157399 -25.16264209
0.00009116 0.00011369 0.00022280
0.01384233 0.00590175 -0.05356997
2.28024084 1.92154783 -1.94280199
-0.00014982 -0.00005655 -0.00012215
-0.02398990 -0.01805378 0.00656772
14.54121360 8.19598284 4.15076470
-0.00016713 -0.00006500 -0.00009201
0.00747183 0.03060692 -0.01337333
-8.22878563 -6.86616974 9.87825872
0.00032941 -0.00079469 -0.00068197
0.02762697 -0.02840288 0.00835020
-10.42077626 -5.67848777 8.69891834
0.00018140 -0.00008379 0.00082068
-0.00309021 0.00888684 0.00041927
-13.29629546 5.30571239 7.09943199
-0.00020788 -0.00062861 -0.00001401
0.00360985 0.00750503 0.00065203
-13.13309265 3.33340868 9.19385998
0.00082776 0.00011814 0.00087328
-0.00054836 -0.01167583 -0.00287340
-14.57828132 1.59168136 4.17428211
0.00013928 0.00032175 0.00027098
0.02105979 0.00279412 0.01843333
-17.27503471 0.90989849 3.97346765
-0.00047148 0.00003165 0.00074365
-0.03822960 -0.01464005 0.01581858
2.24013619 -21.36225208 12.59258851
-0.00000204 0.00158559 0.00007907
0.00955179 0.01846894 0.01263529
3.52398647 -19.77570462 14.71706475
-0.00048296 -0.00011888 -0.00137391
0.02299700 -0.00584972 0.01935649
9.37422723 19.17809975 -0.04908634
0.00157742 -0.00010070 -0.00007212
0.00729283 -0.03029538 -0.00465910
8.68549521 21.48588490 1.20650655
-0.00034379 0.00011948 -0.00046876
0.00344389 0.01137037 -0.00083571
-10.56463488 12.13615377 16.66053722
-0.00050173 -0.00010637 -0.00017509
0.01560656 -0.02378591 0.04184316
-11.12899172 14.65616263 15.75465412
-0.00001141 0.00098634 -0.00016811
-0.00774144 -0.02322639 -0.01662714
-6.12297064 0.10785352 -14.41226965
0.00000680 -0.00030283 -0.00013878
0.01009643 0.00423495 0.00322056
-7.50116276 0.32018919 -11.87375896
-0.00046481 -0.00046410 -0.00001550
0.03617636 0.01005629 0.00305237
-7.65613196 8.07684891 -7.35231289
0.00034545 -0.00063626 -0.00128281
-0.00468066 -0.00497958 0.00313491
-9.68151275 7.43179671 -5.39122792
0.00065749 0.00102060 -0.00092382
-0.00496685 0.00442127 0.01436253
-7.55298504 -1.92914419 17.93190633
0.00031083 -0.00012515 0.00013804
0.00916480 -0.04898584 0.00414039
-7.23634889 -4.42460290 19.78080760
-0.00048858 -0.00057495 -0.00047977
-0.00363107 0.00369190 -0.02582434
-24.26469814 -5.96008414 -23.91215975
-0.00013927 0.00028550 -0.00049839
-0.01541070 0.00592778 0.00551437
-21.90205114 -7.22720446 -24.13110263
-0.00024696 -0.00184394 -0.00050654
0.00627429 -0.01044879 0.00149676
8.66246344 13.34657078 4.94994479
0.00010450 0.00067763 0.00074418
0.00394330 -0.00837379 -0.05158771
9.76076178 12.13434661 7.52809433
0.00030765 -0.00009080 0.00114300
-0.00536112 -0.00628671 -0.00391522
23.86319936 27.19402034 -2.58683910
-0.00142099 -0.00080621 0.00013860
-0.00133624 -0.01914008 0.00388348
22.21000257 29.24670914 -1.23886462
-0.00076812 -0.00093215 -0.00022670
0.00617453 0.00264660 -0.01192157
11.23565573 -0.14155596 -13.88839688
0.00048972 0.00109489 0.00099460
-0.03101259 0.00902418 -0.01850118
8.64384143 -1.28815821 -14.27078678
0.00098533 0.00013374 0.00092954
-0.00275234 -0.00605299 -0.00178323
-9.44470101 -1.12671234 14.14442437
0.00064296 0.00048873 -0.00065271
0.00031083 -0.01050678 0.01534943
-9.06445213 -2.97845864 11.57071485
0.00073814 -0.00065286 -0.00072677
-0.00493049 0.00682975 0.02523476
-3.21281426 -26.61818108 11.95384780
-0.00053131 -0.00031980 0.00000522
0.00297542 0.00798583 -0.01671280
-3.19835464 -25.35867266 9.13113529
-0.00020470 0.00069500 -0.00007036
-0.01440348 0.00387157 -0.00509805
-15.01037703 -2.50165627 -6.83180969
-0.00002535 -0.00067757 -0.00017741
0.00364657 0.00038608 0.00611927
-16.26098980 -3.91287049 -9.05997280
-0.00086240 -0.00025418 -0.00044680
-0.00470866 0.00133966 0.00626549
-19.26129609 -9.41984219 -18.89019168
0.00020792 -0.00090141 0.00062895
0.01775544 0.02796212 -0.01899674
-18.22876574 -12.41257934 -18.94094411
0.00023118 0.00019296 -0.00017413
-0.00240035 0.02344120 -0.00270320
22.51937583 6.13395712 4.08845448
0.00036767 -0.00071050 0.00013426
-0.00411394 0.00658298 0.00423992
19.99807385 7.01385303 5.39029904
-0.00153989 -0.00021130 0.00000767
-0.00641553 0.01951448 0.00075308
18.57540337 -11.13493065 -11.94783560
0.00094390 -0.00000774 -0.00141139
-0.00591888 0.00149262 0.01704276
19.18639600 -10.33517004 -14.53767488
0.00034738 0.00094223 0.00058353
0.00477470 -0.00030747 -0.00636035
-1.68054649 0.42715954 -6.47495666
0.00058306 -0.00071529 0.00009119
-0.01322255 -0.01524244 -0.00621819
-4.40007561 1.00824071 -6.14915039
-0.00008380 -0.00001719 0.00024435
-0.00974735 -0.00815884 0.00148719
-3.43342559 -4.21637859 -19.04397109
-0.00047390 0.00095066 0.00014260
0.00411203 -0.00447484 0.00509941
-3.61014392 -1.47800512 -18.47848284
0.00031520 0.00045766 0.00002043
0.00209752 0.01792208 -0.00167873
14.43353390 18.12364557 -20.60980100
0.00070271 0.00053718 -0.00018615
-0.01296524 -0.01123242 0.00288153
12.65631793 15.76317247 -21.25588259
0.00026019 -0.00000272 0.00079196
-0.02361331 0.00285507 0.00514313
-13.99480744 17.27983834 -11.72215352
0.00004953 0.00067493 0.00043235
-0.01065044 0.01377038 -0.03460479
-14.23174497 16.23253179 -14.56847657
0.00038582 0.00059669 -0.00010486
-0.00638664 0.02308865 0.02371574
1.94265504 15.91287689 6.20248900
0.00052982 -0.00061283 -0.00068785
0.00149365 -0.00664833 -0.00252285
-0.11586230 16.09595564 8.13698349
-0.00164148 0.00029920 0.00052834
-0.00622098 -0.00305443 0.00963761
-4.55063251 -7.80914905 2.64168467
-0.00017106 -0.00031925 0.00022962
0.00167076 -0.02323232 0.00928399
-3.20292350 -10.55660330 2.84974357
-0.00022967 0.00018822 -0.00059646
-0.01865660 0.02926295 0.01210584
1.53943021 -3.45284570 3.21324689
-0.00001781 0.00058849 0.00044095
0.00924585 -0.05214808 -0.01682632
3.36147385 -4.33952210 1.19388630
-0.00032689 -0.00133320 0.00037027
-0.02067972 -0.02911735 0.01469429
8.32978728 7.29109611 3.16796158
0.00066804 -0.00089009 -0.00094154
-0.03684166 0.00375212 -0.03185620
11.15035973 7.89526044 3.59336980
-0.00027063 -0.00015239 0.00038694
0.02354154 0.00599655 -0.00423961
-8.35538506 -12.02937474 -2.14334980
-0.00044671 -0.00154943 -0.00020203
-0.00746414 0.02919569 -0.00841949
-10.14266165 -9.86570507 -0.92622075
0.00007300 0.00046885 0.00016806
-0.01638769 0.00877792 0.02152965
4.77124301 -16.68615420 -13.52549357
-0.00096434 -0.00114742 0.00029747
0.01267188 0.00348484 0.00267063
2.49121984 -16.36191641 -11.80065360
-0.00026681 -0.00131008 0.00081496
-0.00809986 -0.00540843 0.00746877
4.49974168 -4.75185398 -4.40805969
0.00068498 -0.00022446 0.00018380
-0.00953453 -0.01493719 0.02261064
5.41312035 -6.43941724 -2.27523323
0.00001990 0.00097176 -0.00044874
0.01159572 -0.00942789 0.01031034
16.54542327 2.18196601 24.55196420
-0.00028668 -0.00089911 -0.00040185
0.00675974 0.00693310 -0.00424252
19.37418332 3.23140635 24.87741475
-0.00031771 -0.00022142 -0.00100751
-0.00348397 0.01127501 0.00826885
-9.85619140 0.65264384 1.38653615
-0.00129710 0.00011059 0.00041971
-0.00195532 0.00559934 0.00014091
-10.09423022 3.32495576 2.65197684
-0.00050879 -0.00045390 -0.00042316
0.00424471 -0.00172030 -0.00642784
-5.14978377 13.76800867 -8.70728855
-0.00014486 0.00005614 -0.00007918
0.00069785 -0.00902074 -0.00027711
-7.56423034 12.09259796 -9.43027225
0.00028870 -0.00004690 -0.00062853
0.02042781 0.00565918 -0.00031898
1.22822161 11.75002250 -6.70212929
-0.00069916 0.00066788 0.00072938
-0.00317752 0.01718980 -0.00153174
2.65615054 14.29579043 -6.15123207
0.00084500 -0.00133726 0.00051175
-0.01952421 -0.01945080 -0.02123335
-11.00498504 8.26928791 -12.78768388
-0.00083863 0.00087141 0.00019762
-0.00058182 -0.01357077 -0.01445753
-11.71143724 9.93588512 -10.66705250
-0.00035955 0.00025338 0.00013222
-0.00166937 0.01027379 -0.02124633
7.08654437 5.23896810 13.95820709
-0.00011487 0.00044670 0.00044185
0.00826580 -0.01118208 0.00609539
9.59630114 3.82209586 14.33709684
-0.00028197 0.00105831 -0.00094525
0.00767810 0.00550490 -0.00312071
-14.12642616 11.65636802 -7.75869789
0.00016810 0.00012094 -0.00040063
-0.00627636 -0.01061221 0.01179911
-16.88871159 10.52547219 -8.05676500
-0.00004114 -0.00024418 -0.00023274
0.00784098 0.00317858 0.00282204
9.38039588 9.13378969 -2.77123072
0.00013496 -0.00127906 0.00037291
-0.00861201 -0.01281963 0.00452573
7.49348040 8.12465482 -4.55851225
-0.00113698 -0.00043809 -0.00083104
-0.01332380 0.00678508 -0.02106845
14.24232310 -19.06248646 -27.48498985
-0.00076437 0.00065951 -0.00014395
-0.00230422 0.01430737 -0.00756658
13.89397030 -20.09402762 -24.82552919
0.00090374 0.00039553 -0.00038161
-0.00023244 -0.00123643 -0.00501673
5.38020576 4.90887056 2.15103098
0.00104491 0.00000968 0.00074802
0.00520647 -0.03399359 0.00009565
5.46832068 7.09329755 0.21050941
0.00043107 0.00066873 0.00002525
0.00847507 0.00086931 -0.03263552
19.76264338 -5.00480536 -6.78721868
-0.00058373 0.00030843 0.00032648
-0.02134776 -0.02433676 -0.00989713
16.89533571 -4.86766353 -6.28678762
-0.00018025 -0.00025109 -0.00000644
0.00419587 -0.01183032 -0.00479786
-2.53312687 -0.69749495 -1.04477645
0.00034244 -0.00081137 0.00051496
0.00334708 -0.01624998 0.00075255
-2.82076864 -1.94757452 -3.64935170
-0.00070295 -0.00090524 0.00064550
0.01835664 -0.00479824 0.03198281
3.95680218 -3.64801996 -12.61100977
0.00029349 -0.00026137 -0.00017513
-0.02188303 0.02835320 0.01123728
1.12224244 -2.86859011 -11.80448969
-0.00007272 0.00018905 0.00005038
0.00148085 -0.00250767 -0.00098393
19.93374297 8.75352966 -7.77735861
0.00013731 -0.00008513 0.00062474
0.00127294 -0.00706731 -0.01197665
21.07664844 7.75998115 -5.20745656
-0.00054401 0.00003934 -0.00015215
-0.00344992 0.00336087 -0.00100150
-7.40234011 3.96023344 8.46964168
-0.00034724 0.00067459 -0.00062925
0.01567818 -0.06182710 -0.00112262
-6.72468039 6.24010103 9.91456521
-0.00015795 -0.00016680 -0.00070310
-0.00131713 0.00196824 0.00341913
-1.43918410 -17.96644661 11.60588716
0.00093085 -0.00025152 0.00005919
-0.00433519 0.00757313 -0.00399626
-2.62568436 -15.89126753 9.80202564
0.00073655 -0.00042061 -0.00019936
0.00732441 -0.00596305 0.00249543
8.80157695 -0.27486084 -3.17286538
0.00105126 0.00026963 0.00030107
-0.02411102 0.01041952 -0.03785343
7.81015485 1.52069267 -5.58743463
0.00024948 -0.00001906 -0.00022209
0.00375967 0.00824265 0.00593359
0.28025326 -11.89426350 1.91731474
-0.00009491 0.00038504 -0.00041771
-0.00623664 -0.00154440 -0.00874473
-1.49270835 -10.71444705 -0.15571389
-0.00013558 -0.00018844 -0.00021350
0.00862222 -0.01306670 0.00039746
-19.34103960 -0.58390304 7.10411707
-0.00043328 0.00082030 0.00107568
-0.01144461 -0.00679436 -0.01270937
-21.44088981 0.78274050 5.73948956
0.00034856 0.00020798 -0.00076805
-0.01670438 0.01234090 -0.00213040
-5.10819573 8.47426165 -26.71861369
0.00168513 0.00067014 0.00049836
-0.01943616 -0.00695479 0.04516162
-5.22943111 7.88422294 -23.80932372
0.00070137 0.00041696 -0.00053914
0.02256961 -0.00381409 0.02765394
4.06704040 1.77398601 -2.02174803
-0.00043806 -0.00138627 0.00078709
0.01320764 -0.01576384 0.00040057
1.44908950 0.27055965 -1.57495306
-0.00029456 0.00037010 -0.00062975
0.01882996 0.02127399 -0.00913471
14.65380512 7.60177020 5.92149947
-0.00070542 -0.00014819 0.00015219
0.00033539 0.01102420 -0.01060885
14.96736176 10.03766944 3.89631474
-0.00042914 0.00104770 -0.00008482
-0.00188921 -0.03642170 0.01763571
1.73357599 -11.67078083 -13.99393350
0.00035005 0.00017867 -0.00008428
0.01007504 0.00628243 0.00221362
-13.60079713 14.74504877 22.87131854
-0.00005697 0.00013889 0.00013869
0.00043678 0.00248226 0.00173487
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02415011
0.33201973
442.39963792
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3511253756 (a.u.)
total exchange computation time: 2.6018359661 s
-154.1241094171
-931.35123727
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3508055246 (a.u.)
total exchange computation time: 2.5983431339 s
-154.1272765351
Anderson extrapolation: theta=1.3491423947 (1.3491423947)
-931.35147586
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3502811807 (a.u.)
total exchange computation time: 2.6000618935 s
-154.1322326642
Anderson extrapolation: theta=0.0534122912 (0.0534122912)
-931.35161921
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3501777326 (a.u.)
total exchange computation time: 2.5988960266 s
-154.1331115685
Anderson extrapolation: theta=1.9366786298 (1.9366786298)
-931.35162481
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3499525163 (a.u.)
total exchange computation time: 2.5985929966 s
-154.1349783172
Anderson extrapolation: theta=0.2216511284 (0.2216511284)
-931.35163072
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3498949965 (a.u.)
total exchange computation time: 2.5990099907 s
-154.1354130206
Anderson extrapolation: theta=1.8404058638 (1.8404058638)
-931.35163183
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3498074215 (a.u.)
total exchange computation time: 2.5979959965 s
-154.1360248545
Anderson extrapolation: theta=0.2830474521 (0.2830474521)
-931.35163314
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3498016213 (a.u.)
total exchange computation time: 2.5960919857 s
-154.1360144200
Anderson extrapolation: theta=1.3052268832 (1.3052268832)
-931.35163343
-66.396646 -171.051333 -245.143095
-137.021582 458.337600 -807.375166
-203.418228 287.286266 -1052.518261
1109.822988
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3498083318 (a.u.)
total exchange computation time: 2.5761680603 s
678.65628710
-1083.39138096
89.74330609
-389.26600244
-174.74403507
78.12904007
551.60419304
0.00000000
-931.35163361
-9.08509522 -5.32335379 9.90353348
0.00011087 0.00004399 0.00012740
-0.01315403 0.00162221 -0.01509079
-13.74625489 4.99712618 8.85190870
0.00001184 -0.00003964 -0.00019658
-0.00733002 0.00624172 0.00465566
-15.90954222 1.47667470 2.99239454
-0.00001482 -0.00007723 -0.00006483
0.01773204 0.01231932 -0.02985421
2.21636501 -19.73873066 13.53221398
-0.00026331 -0.00033591 0.00027946
-0.04314039 -0.00797256 -0.03820839
10.09351991 20.81634812 0.19649322
0.00018807 -0.00011202 -0.00040321
-0.01917462 0.01716965 0.00556962
-11.29228524 12.85478961 15.21779884
0.00003708 0.00014556 0.00004364
-0.00041369 0.06371550 -0.03069149
-5.91595116 0.98741320 -12.80668878
0.00004475 -0.00008174 0.00008778
-0.04357378 -0.01938619 -0.00642955
-8.89623980 6.81790749 -6.88072755
-0.00011458 0.00013368 -0.00012999
0.00553925 -0.01036991 -0.03535083
-7.20315177 -3.85782801 17.95460799
0.00026858 -0.00014668 -0.00009680
-0.01603420 0.04458537 0.02162055
-23.66051494 -7.67210611 -23.85022615
-0.00017555 0.00006706 -0.00046800
0.00677951 0.00230323 -0.00406410
8.75064065 13.44500374 6.68950758
0.00034434 0.00057899 -0.00007966
0.00176880 0.01667463 0.06356101
22.90151179 28.69133796 -2.86278556
-0.00033233 -0.00003156 0.00032101
-0.00968892 0.02334960 -0.00032117
9.60783530 0.19998022 -14.81191184
0.00024661 0.00022216 -0.00032181
0.03976703 -0.00803522 0.02103590
-9.31894687 -1.28052198 12.37020306
-0.00041339 -0.00019207 -0.00011571
0.00044188 0.00707702 -0.04526335
-2.20010616 -25.93649209 10.50403134
0.00010309 -0.00003311 -0.00016243
0.01321399 -0.01230462 0.01377728
-15.38156855 -4.20124392 -7.49394162
-0.00018759 -0.00014382 -0.00040603
-0.00440179 -0.00482588 -0.01126335
-19.38857547 -11.08470520 -18.31288777
-0.00002901 -0.00008594 -0.00011748
-0.01157871 -0.06230692 0.02112754
20.90589436 5.61981876 4.76948502
-0.00022348 0.00048838 0.00016800
0.01262584 -0.02948951 -0.00705706
19.83365125 -11.45142391 -13.22740956
0.00035737 0.00011829 0.00014746
-0.00453312 -0.00010227 -0.02709395
-3.34633472 -0.44361801 -6.51182178
-0.00010085 0.00002566 0.00007040
0.03159544 0.02817975 0.00228959
-3.54462082 -3.07970696 -17.62706829
0.00026718 0.00011449 -0.00012705
-0.00477018 -0.00040807 0.00246813
14.31201116 16.47454593 -21.39793304
0.00018081 0.00013898 -0.00018842
0.04060070 0.01768277 -0.00550568
-14.55417794 17.86683922 -13.46380750
0.00000719 0.00015473 -0.00022918
0.01313351 -0.04177448 0.01999499
1.27321931 15.01644603 7.64722741
-0.00011614 -0.00003194 -0.00047837
-0.00249482 0.01350568 -0.00300180
-4.17186806 -9.20287292 3.82273274
0.00035078 -0.00007780 -0.00010487
0.00830733 -0.01533689 -0.01621529
2.08496887 -5.15752641 2.34707388
0.00010466 0.00020319 0.00004256
0.00706783 0.07771755 0.01543218
9.64202398 7.24743667 4.31637702
-0.00005333 0.00005402 -0.00014055
0.00993410 -0.01721557 0.03964277
-9.39508227 -10.41545503 -2.43140427
-0.00026121 -0.00015799 0.00033856
0.02165796 -0.04042019 -0.02030751
3.36423634 -15.58114638 -13.17990292
-0.00006074 0.00024045 -0.00032344
-0.00791332 -0.00403948 0.00402309
3.87144336 -5.71963596 -2.88548625
0.00005848 -0.00006954 0.00049574
-0.00204587 0.02529704 -0.04050954
18.35358304 1.80084514 24.40461919
-0.00005068 -0.00018965 -0.00007345
-0.00824885 -0.02521526 -0.00787799
-9.04071071 2.29919158 1.54581650
-0.00002428 -0.00027728 -0.00000333
0.00187459 -0.00011458 0.00603455
-5.71925329 12.26845910 -9.69351606
0.00026636 -0.00051720 0.00009549
-0.02408080 0.00107066 0.00237273
1.64642922 13.38099410 -7.48313357
0.00013844 0.00015542 0.00002315
0.02286577 0.00007310 0.02590953
-11.35402684 10.01759320 -12.50180782
-0.00018122 -0.00022393 0.00009393
0.00272168 0.01421874 0.03952047
7.82854827 3.70105330 14.69934174
-0.00001208 -0.00045885 0.00015019
-0.01084944 0.02655823 -0.02038374
-15.20487794 10.17282084 -7.40228641
0.00022366 0.00049304 0.00059731
-0.01576255 -0.00026896 -0.01553859
8.33460832 7.61742109 -3.06469233
-0.00030784 0.00004115 0.00004250
0.01493068 0.00658971 0.01789376
14.12113873 -20.62196266 -26.57554355
-0.00007672 0.00013532 0.00030503
0.00178413 -0.00235738 0.00689202
5.14531467 6.65060227 1.90277559
-0.00002658 -0.00033552 0.00019784
-0.01545890 0.03663703 0.02238798
18.15871537 -5.80913225 -7.36504971
-0.00012548 0.00023448 0.00026593
0.01771965 0.02814361 0.01049622
-1.98057628 -2.25556030 -1.90886401
-0.00012971 0.00002768 0.00019834
-0.02044419 0.02199272 -0.02527275
2.84332168 -2.19817173 -12.01290756
0.00006509 -0.00015878 0.00004437
0.02047857 -0.02235645 -0.00886491
19.86649823 8.94487582 -5.98827429
0.00032201 -0.00048700 0.00011085
-0.00601094 0.00462010 0.01458188
-7.73499698 5.66387585 8.51716879
-0.00002827 -0.00009361 -0.00026033
-0.01366424 0.07155300 0.00235988
-1.67374109 -16.16703227 11.33754843
0.00007752 -0.00007139 -0.00004357
-0.00055424 -0.00376143 0.00695320
7.65192595 -0.07732364 -4.72358355
0.00001089 0.00059275 0.00002981
0.01900892 -0.03089356 0.04983657
-1.12977957 -12.33524693 0.75708171
-0.00022499 -0.00021605 0.00018579
-0.00554772 0.02018939 0.00290209
-20.04411643 -0.26554867 5.37210243
-0.00011681 0.00048479 0.00006526
0.02870249 -0.01248986 0.01999048
-6.34056291 8.08330209 -25.15950672
0.00009883 0.00011690 0.00019460
0.01600064 0.00659401 -0.05607292
2.27790104 1.92062992 -1.94460887
-0.00016211 -0.00006540 -0.00011891
-0.02379775 -0.01635759 0.00600989
14.53873543 8.19512583 4.14933301
-0.00016301 -0.00004809 -0.00009876
0.00856892 0.03516596 -0.01290645
-8.22299798 -6.87896041 9.86828499
0.00043447 -0.00089514 -0.00064735
0.02380350 -0.02077112 0.00859933
-10.41814998 -5.67947236 8.71124131
0.00016241 -0.00004790 0.00081718
-0.00620629 0.00868529 -0.00212896
-13.29930300 5.29651315 7.09924182
-0.00019189 -0.00059754 -0.00001572
0.00421698 0.00770661 -0.00148814
-13.12069307 3.33482299 9.20687113
0.00082335 0.00007641 0.00085968
-0.00161062 -0.00875160 -0.00378352
-14.57554671 1.59659329 4.17891167
0.00021973 0.00033235 0.00034139
0.01832044 0.00239349 0.01603005
-17.28327839 0.90992466 3.98510720
-0.00061652 -0.00002358 0.00080024
-0.03276901 -0.01239646 0.01187922
2.24039826 -21.33790234 12.59416172
0.00003637 0.00164240 0.00012012
0.00924992 0.00934292 0.00745924
3.51744675 -19.77766710 14.69704927
-0.00037018 -0.00014234 -0.00127829
0.03220819 -0.00563460 0.02745066
9.39811198 19.17566092 -0.05031095
0.00160278 -0.00023206 -0.00009143
0.00512205 -0.03400582 -0.00479047
8.68044385 21.48802548 1.19944947
-0.00032604 0.00016222 -0.00047589
0.00524641 0.00955295 -0.00265050
-10.57168262 12.13382938 16.65919315
-0.00043656 -0.00020355 -0.00000043
0.01629516 -0.02378752 0.04365248
-11.12940005 14.67024593 15.75162298
-0.00004301 0.00088185 -0.00023703
-0.00773051 -0.02791783 -0.01710966
-6.12255924 0.10344088 -14.41425272
0.00004857 -0.00028320 -0.00012204
0.01035043 0.00537349 0.00497413
-7.50702640 0.31353590 -11.87389787
-0.00031400 -0.00042133 -0.00000410
0.03764849 0.01087951 0.00252405
-7.65109367 8.06715237 -7.37145898
0.00032568 -0.00065719 -0.00126910
-0.00499644 -0.00526629 0.00357449
-9.67180261 7.44724120 -5.40464505
0.00063225 0.00104306 -0.00085535
-0.00738604 0.00657391 0.01915146
-7.54804176 -1.93252256 17.93410384
0.00034780 -0.00032467 0.00015477
0.00893111 -0.04867940 0.00404740
-7.24378890 -4.43311408 19.77281973
-0.00050310 -0.00056043 -0.00058200
-0.00347457 0.00341977 -0.02421611
-24.26725940 -5.95562003 -23.91946657
-0.00019805 0.00030645 -0.00047572
-0.01336425 0.00432816 0.00558077
-21.90556324 -7.25518369 -24.13865492
-0.00021609 -0.00188227 -0.00050152
0.00883636 -0.00831651 0.00096182
8.66415184 13.35647870 4.95952669
0.00012035 0.00064139 0.00051820
0.00381414 -0.00936959 -0.05902981
9.76521228 12.13279197 7.54511933
0.00027849 -0.00010785 0.00111959
-0.00891561 -0.00205935 -0.00754139
23.84184360 27.18134066 -2.58464114
-0.00142620 -0.00088387 0.00015397
-0.00121716 -0.01887484 0.00364272
22.19866992 29.23280803 -1.24263043
-0.00074570 -0.00091853 -0.00026801
0.00480017 0.00401682 -0.00830035
11.24205121 -0.12485607 -13.87404477
0.00035774 0.00113302 0.00091456
-0.03359409 0.00963968 -0.02068051
8.65853707 -1.28633754 -14.25689839
0.00097303 0.00010944 0.00092067
-0.00326867 -0.00584469 -0.00255457
-9.43504703 -1.11970328 14.13510411
0.00064436 0.00044628 -0.00057995
0.00037099 -0.01027474 0.02026603
-9.05353109 -2.98804231 11.56058663
0.00071655 -0.00061808 -0.00061950
-0.00563660 0.01019851 0.02727163
-3.22069271 -26.62273341 11.95341391
-0.00051518 -0.00028489 -0.00006679
0.00491891 0.00910478 -0.01853301
-3.20186644 -25.34812903 9.12992370
-0.00025986 0.00070924 -0.00008672
-0.01259764 0.00309935 -0.00291135
-15.01064557 -2.51180806 -6.83428339
-0.00000996 -0.00067079 -0.00015173
0.00388849 0.00293568 0.00645285
-16.27407016 -3.91664215 -9.06648277
-0.00087903 -0.00024858 -0.00041604
-0.00342926 0.00140138 0.00878922
-19.25763328 -9.43250649 -18.88133948
0.00028195 -0.00076941 0.00054566
0.01848640 0.03665390 -0.02177797
-18.22537162 -12.40896663 -18.94363886
0.00022125 0.00028789 -0.00018459
-0.00246063 0.02302604 -0.00241834
22.52476485 6.12350136 4.09059830
0.00034662 -0.00068105 0.00015383
-0.00619215 0.00783108 0.00534151
19.97477891 7.01128147 5.39043710
-0.00156230 -0.00013169 0.00000853
-0.00455524 0.01945812 -0.00033011
18.58938055 -11.13500095 -11.96848428
0.00090416 0.00000049 -0.00132311
-0.01353544 0.00253602 0.02617273
19.19175302 -10.32104604 -14.52911686
0.00036960 0.00093853 0.00055756
0.00610025 -0.00150387 -0.00635003
-1.67220579 0.41596318 -6.47377935
0.00052454 -0.00077769 0.00006619
-0.01542360 -0.01530425 -0.00602037
-4.40163125 1.00773285 -6.14543963
-0.00012222 -0.00004976 0.00025042
-0.00906169 -0.00778506 0.00148620
-3.44040804 -4.20225577 -19.04167586
-0.00045625 0.00092348 0.00015355
0.00452641 -0.00883084 0.00026334
-3.60535171 -1.47059109 -18.47822778
0.00032392 0.00052755 0.00001600
0.00217198 0.01628953 -0.00049256
14.44367727 18.13135906 -20.61250490
0.00064904 0.00048611 -0.00017668
-0.01330564 -0.01376426 0.00175039
12.65949717 15.76321910 -21.24384555
0.00016487 0.00000970 0.00081318
-0.02304328 0.00322810 0.00524392
-13.99439089 17.29038432 -11.71672863
0.00000482 0.00073139 0.00028659
-0.01123252 0.01386460 -0.03674689
-14.22615342 16.24218962 -14.56932277
0.00035996 0.00068796 -0.00000935
-0.00626817 0.02159136 0.02303917
1.95064807 15.90348066 6.19209397
0.00053237 -0.00063873 -0.00069578
-0.00024190 -0.00602581 -0.00135769
-0.14067513 16.10035009 8.14520388
-0.00164653 0.00027439 0.00055853
0.00374743 -0.00909222 0.00514294
-4.55314726 -7.81464972 2.64541350
-0.00016502 -0.00041009 0.00026485
0.00128939 -0.02123661 0.00795870
-3.20694025 -10.55288330 2.84116760
-0.00030385 0.00030494 -0.00054740
-0.01765494 0.02787160 0.01190853
1.53944639 -3.44561632 3.21934549
0.00002215 0.00037239 0.00036926
0.01031472 -0.05363563 -0.01826674
3.35593676 -4.36041229 1.19989069
-0.00040233 -0.00144437 0.00042234
-0.01624739 -0.02530160 0.01079142
8.33867897 7.27785970 3.15286228
0.00051863 -0.00087509 -0.00107087
-0.03629825 0.00359331 -0.03144841
11.14702170 7.89315842 3.59904405
-0.00016788 -0.00012528 0.00036664
0.02675248 0.00727072 -0.00570153
-8.36231443 -12.05172160 -2.14663823
-0.00048034 -0.00142237 -0.00023590
-0.00899993 0.03300397 -0.00816079
-10.14206884 -9.85840329 -0.92304009
0.00000608 0.00050399 0.00025694
-0.01636761 0.00842305 0.02197833
4.75716614 -16.70325878 -13.52094969
-0.00091169 -0.00113123 0.00030589
0.01310170 0.00444178 0.00145348
2.48696950 -16.38173341 -11.78820034
-0.00028922 -0.00131828 0.00082570
-0.00287213 0.00139502 -0.00221283
4.50972422 -4.75567866 -4.40460983
0.00064217 -0.00028614 0.00027800
-0.01142197 -0.01525148 0.02350242
5.41377411 -6.42512977 -2.28164837
0.00007722 0.00092701 -0.00040031
0.01646315 -0.01247728 0.01339634
16.54133017 2.16869188 24.54580643
-0.00025833 -0.00086982 -0.00041890
0.00712143 0.00740404 -0.00410332
19.36931092 3.22843051 24.86255549
-0.00032912 -0.00017011 -0.00097181
-0.00210390 0.01384324 0.00920505
-9.87570787 0.65447422 1.39283608
-0.00130238 0.00013351 0.00041862
-0.00062741 0.00562279 -0.00067362
-10.10173203 3.31809461 2.64543254
-0.00049082 -0.00045818 -0.00044827
0.00455096 -0.00037738 -0.00586432
-5.15193529 13.76857435 -8.70848475
-0.00014251 0.00001666 -0.00008178
0.00045475 -0.01030313 -0.00099504
-7.55927383 12.09206783 -9.43970991
0.00036942 -0.00002445 -0.00062896
0.01908632 0.00533297 0.00010529
1.21763683 11.76056746 -6.69123549
-0.00071289 0.00073681 0.00072107
-0.00354409 0.01655089 -0.00253617
2.66822733 14.27513549 -6.14420653
0.00076564 -0.00141301 0.00042417
-0.01932463 -0.01762817 -0.02163506
-11.01758236 8.28194314 -12.78516257
-0.00083751 0.00079630 0.00013497
0.00113315 -0.02319421 -0.01621034
-11.71688167 9.94000059 -10.66572031
-0.00036600 0.00029511 0.00004505
-0.00148544 0.01015272 -0.02142400
7.08507456 5.24532594 13.96502162
-0.00007980 0.00039331 0.00047066
0.00890441 -0.01495113 0.00800904
9.59230694 3.83813925 14.32282249
-0.00025070 0.00107856 -0.00095652
0.00762565 0.00440608 -0.00239621
-14.12409699 11.65785695 -7.76434579
0.00014361 0.00007977 -0.00035222
-0.00571392 -0.00953994 0.01190062
-16.88908838 10.52190687 -8.06016961
-0.00000381 -0.00023191 -0.00021916
0.01043310 0.00282716 0.00382707
9.38215637 9.11421091 -2.76549831
0.00010412 -0.00132158 0.00039072
-0.00648203 -0.00799056 0.00418791
7.47601741 8.11829136 -4.57162339
-0.00118060 -0.00041278 -0.00090062
-0.00802650 0.00560678 -0.01299484
14.23078690 -19.05215532 -27.48738095
-0.00077445 0.00070841 -0.00016998
-0.00262828 0.00962881 -0.00517777
13.90751922 -20.08813254 -24.83140707
0.00090120 0.00039268 -0.00039176
-0.00100955 -0.00015955 0.00004705
5.39603889 4.90797408 2.16225423
0.00106673 -0.00013031 0.00074681
0.00547701 -0.03453330 -0.00068990
5.47504645 7.10335508 0.20988814
0.00046416 0.00066803 -0.00009837
0.00772048 -0.00120906 -0.02788022
19.75323324 -5.00092466 -6.78262468
-0.00066633 0.00021113 0.00028726
-0.01908276 -0.02329329 -0.00930468
16.89276049 -4.87179236 -6.28703123
-0.00016576 -0.00029725 -0.00002391
0.00289726 -0.01076880 -0.00375671
-2.52788775 -0.71016349 -1.03702892
0.00035279 -0.00086950 0.00052129
0.00172054 -0.01220130 0.00234294
-2.83075039 -1.96130021 -3.63868916
-0.00062872 -0.00092266 0.00077430
0.01797794 -0.00372721 0.03106774
3.96053393 -3.65107171 -12.61329231
0.00020209 -0.00014415 -0.00012899
-0.02285439 0.02902642 0.01134663
1.12119696 -2.86583115 -11.80376410
-0.00006618 0.00017814 0.00004617
0.00172428 -0.00283607 -0.00107894
19.93584163 8.75203619 -7.76835445
0.00014250 -0.00011487 0.00056642
0.00126944 -0.00749446 -0.01657313
21.06838264 7.76067416 -5.20976947
-0.00054923 0.00004468 -0.00015095
0.00089099 -0.00074670 0.00158568
-7.40706822 3.96845770 8.46016848
-0.00028067 0.00040797 -0.00063469
0.01690465 -0.06868304 -0.00153766
-6.72709007 6.23765939 9.90412349
-0.00015933 -0.00015684 -0.00068392
0.00064354 0.00290772 0.00596985
-1.42535414 -17.96998741 11.60665250
0.00091202 -0.00021623 0.00004211
-0.00488552 0.00970560 -0.00436413
-2.61441172 -15.89775941 9.79911175
0.00076432 -0.00044463 -0.00019290
0.00627139 -0.00579375 0.00066447
8.81660708 -0.27049718 -3.16950922
0.00094762 0.00031321 0.00014059
-0.02662514 0.01091747 -0.04070655
7.81401223 1.52065934 -5.59058421
0.00026595 0.00001939 -0.00019987
0.00430374 0.01058042 0.00494635
0.27863855 -11.88853521 1.91078113
-0.00011908 0.00037784 -0.00045155
-0.00559606 -0.00198062 -0.00781943
-1.49447784 -10.71767406 -0.15890416
-0.00010075 -0.00024390 -0.00021091
0.00842632 -0.01407974 0.00087003
-19.34788954 -0.57180671 7.11986276
-0.00048256 0.00079282 0.00101632
-0.01267808 -0.00665848 -0.01634389
-21.43617326 0.78623839 5.72790352
0.00027062 0.00026574 -0.00077481
-0.02144999 0.01593430 -0.00117853
-5.08351438 8.48410061 -26.70975447
0.00160009 0.00064103 0.00068202
-0.02219114 -0.00729402 0.04474364
-5.21821895 7.89036040 -23.81656341
0.00079390 0.00040081 -0.00042153
0.02272396 -0.00408896 0.02991669
4.06087424 1.75270897 -2.00992940
-0.00038075 -0.00144889 0.00078821
0.01484722 -0.01489241 0.00014663
1.44524810 0.27676305 -1.58467920
-0.00022163 0.00045204 -0.00066549
0.01687104 0.01883777 -0.00836334
14.64323404 7.59988512 5.92345728
-0.00070385 -0.00010202 0.00010650
0.00043355 0.01157835 -0.01175851
14.96086670 10.05226884 3.89558279
-0.00043881 0.00088852 -0.00001135
-0.00284368 -0.04149754 0.01833145
1.73885378 -11.66808385 -13.99519172
0.00035362 0.00018092 -0.00008351
0.00986759 0.00627408 0.00206633
-13.60165098 14.74713650 22.87340197
-0.00005685 0.00013948 0.00013911
0.00065838 0.00258786 0.00180618
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02431645
0.32731716
436.13370516
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3539201232 (a.u.)
total exchange computation time: 2.6352310181 s
-154.1338934166
-931.34690973
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3535347296 (a.u.)
total exchange computation time: 2.6381940842 s
-154.1376358516
Anderson extrapolation: theta=1.3476343874 (1.3476343874)
-931.34716373
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3529405594 (a.u.)
total exchange computation time: 2.6364870071 s
-154.1432585932
Anderson extrapolation: theta=0.0528331997 (0.0528331997)
-931.34731611
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.430 s
total exchange = -52.3528478482 (a.u.)
total exchange computation time: 2.6368129253 s
-154.1440955761
Anderson extrapolation: theta=1.9278560771 (1.9278560771)
-931.34732199
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.430 s
total exchange = -52.3526502082 (a.u.)
total exchange computation time: 2.6372652054 s
-154.1458477003
Anderson extrapolation: theta=0.2173809390 (0.2173809390)
-931.34732815
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3526034297 (a.u.)
total exchange computation time: 2.6359429359 s
-154.1462346416
Anderson extrapolation: theta=1.8352060078 (1.8352060078)
-931.34732929
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3525361451 (a.u.)
total exchange computation time: 2.6356170177 s
-154.1467572435
Anderson extrapolation: theta=0.2774699657 (0.2774699657)
-931.34733068
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3525361294 (a.u.)
total exchange computation time: 2.6368830204 s
-154.1467208826
Anderson extrapolation: theta=1.3130351669 (1.3130351669)
-931.34733100
-66.402026 -171.085419 -245.137136
-137.021798 458.312456 -807.402578
-203.423824 287.227036 -1052.539714
1109.829028
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1320713899
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3525495783 (a.u.)
total exchange computation time: 2.5929429531 s
678.70760259
-1083.49786782
89.73922130
-389.19184565
-174.75189207
78.18912062
551.60419304
0.00000000
-931.34733123
-9.08348292 -5.32268765 9.90538628
0.00010602 0.00004278 0.00012019
-0.00572382 -0.00632233 -0.01295677
-13.74610556 4.99655572 8.84897803
0.00000821 -0.00003725 -0.00019334
-0.00679957 0.00302609 0.00794160
-15.90969609 1.47556372 2.99130696
-0.00000641 -0.00007145 -0.00007832
0.01496290 0.01017250 -0.02259456
2.21224892 -19.74380010 13.53625853
-0.00028753 -0.00033747 0.00025959
-0.05102996 0.00192929 -0.03907144
10.09626706 20.81473412 0.19046656
0.00017808 -0.00010196 -0.00039990
-0.01969977 0.02191829 0.00730306
-11.29173062 12.85721871 15.21833511
0.00003692 0.00017904 0.00002789
-0.00020118 0.06650712 -0.03056713
-5.91544799 0.98611233 -12.80539689
0.00002207 -0.00009210 0.00008418
-0.04463805 -0.02089679 -0.00754953
-8.89793709 6.81987269 -6.88281376
-0.00011113 0.00012788 -0.00014923
0.00788421 -0.01217671 -0.03946993
-7.19918498 -3.85985621 17.95323939
0.00026031 -0.00012392 -0.00008610
-0.01609422 0.04390362 0.01998639
-23.66312201 -7.67109139 -23.85726178
-0.00017319 0.00006815 -0.00046991
0.00238137 0.00196677 -0.00335852
8.75581250 13.45375298 6.68855786
0.00034616 0.00058666 -0.00004483
0.00531585 0.01315301 0.07187869
22.89648951 28.69095461 -2.85797163
-0.00033669 -0.00002024 0.00031998
-0.00726750 0.02066736 -0.00369868
9.61168782 0.20328156 -14.81665785
0.00026758 0.00021775 -0.00031034
0.04178136 -0.00908762 0.02355871
-9.32514597 -1.28337571 12.36829276
-0.00041306 -0.00018923 -0.00014049
0.00082685 0.00396437 -0.05107485
-2.19850889 -25.93703621 10.50164799
0.00010892 -0.00003947 -0.00015559
0.00946459 -0.01244376 0.01285296
-15.38439944 -4.20341976 -7.50007558
-0.00019022 -0.00014683 -0.00041243
-0.00580912 -0.00691583 -0.01360575
-19.38905523 -11.08623461 -18.31456848
-0.00003515 -0.00011957 -0.00010610
-0.01230658 -0.06848538 0.02313117
20.90259088 5.62703070 4.77197783
-0.00021709 0.00047307 0.00016443
0.01220976 -0.03002659 -0.00681687
19.83899434 -11.44965001 -13.22530220
0.00035677 0.00011821 0.00013119
0.00217946 -0.00019397 -0.03616966
-3.34772563 -0.44312444 -6.51075696
-0.00008440 0.00003997 0.00007152
0.03236497 0.02747305 0.00207117
-3.54063154 -3.07799123 -17.62896454
0.00026460 0.00011589 -0.00012486
-0.00525684 0.00584391 0.00606725
14.31487992 16.47669887 -21.40078058
0.00020135 0.00014842 -0.00019102
0.03925651 0.01901578 -0.00459168
-14.55401945 17.86899901 -13.46716804
0.00001396 0.00013387 -0.00021823
0.01321512 -0.03933430 0.02257792
1.27146765 15.01601900 7.64004022
-0.00011932 -0.00002376 -0.00047909
-0.00990576 0.01833036 0.00023502
-4.16657430 -9.20409909 3.82109720
0.00035483 -0.00008577 -0.00011258
0.00741968 -0.01565224 -0.01377120
2.08656603 -5.15417877 2.34777178
0.00010674 0.00024221 0.00005197
0.00103239 0.07403038 0.02116138
9.64126235 7.24818063 4.31442173
-0.00004943 0.00004501 -0.00012036
0.00524158 -0.01784171 0.03885615
-9.39891689 -10.41798080 -2.42640419
-0.00024983 -0.00017943 0.00032813
0.02259220 -0.04294784 -0.02025439
3.36329466 -15.57755525 -13.18473896
-0.00006601 0.00023643 -0.00031884
-0.01255901 -0.01157154 0.01383609
3.87231273 -5.72058150 -2.87820641
0.00005674 -0.00005592 0.00047410
-0.00473496 0.02768562 -0.04363873
18.35279095 1.79790306 24.40348708
-0.00005529 -0.00020326 -0.00007769
-0.00965402 -0.02770590 -0.00860817
-9.04106771 2.29503187 1.54578984
-0.00002367 -0.00027776 -0.00000018
0.00051678 -0.00171753 0.00619400
-5.71535073 12.26070519 -9.69207450
0.00025449 -0.00051618 0.00009681
-0.02207614 0.00290816 0.00272777
1.64859399 13.38332572 -7.48268642
0.00015015 0.00015516 0.00003666
0.02267984 -0.00109263 0.02662490
-11.35673469 10.01428902 -12.50024647
-0.00018026 -0.00021412 0.00011452
0.00100729 0.02394055 0.04054693
7.82832526 3.69427294 14.70151590
-0.00001763 -0.00044390 0.00013891
-0.01074819 0.03159877 -0.02345283
-15.20158384 10.18021547 -7.39338664
0.00021469 0.00049260 0.00058903
-0.01911720 -0.00144838 -0.01668899
8.33004829 7.61806370 -3.06398579
-0.00030218 0.00004352 0.00004976
0.00709332 0.00265854 0.01031698
14.11999482 -20.61994191 -26.57094159
-0.00007552 0.00013504 0.00030653
0.00287832 0.00124879 -0.00102486
5.14485630 6.64571080 1.90582953
-0.00003435 -0.00031636 0.00020806
-0.01473834 0.03785837 0.01736322
18.15690153 -5.80550652 -7.36102030
-0.00011672 0.00024821 0.00027061
0.01632588 0.02525819 0.00772404
-1.98260083 -2.25506023 -1.90598644
-0.00013960 0.00003757 0.00018524
-0.01801608 0.01644994 -0.02565209
2.84437699 -2.20063964 -12.01227623
0.00007570 -0.00017015 0.00003978
0.02077067 -0.02188094 -0.00897731
19.87130516 8.93758861 -5.98655536
0.00031771 -0.00048336 0.00011871
-0.01071525 0.00953962 0.01601124
-7.73547381 5.66274767 8.51327294
-0.00003598 -0.00005613 -0.00025968
-0.01630003 0.07418951 0.00015738
-1.67258042 -16.16811758 11.33692172
0.00007761 -0.00007387 -0.00003938
0.00088687 -0.00587889 0.00933408
7.65216257 -0.06855163 -4.72294418
0.00002101 0.00057596 0.00005631
0.02037207 -0.03439283 0.05319840
-1.13317577 -12.33840981 0.75987969
-0.00022805 -0.00020537 0.00018689
-0.00635441 0.02136411 0.00139786
-20.04575785 -0.25832504 5.37315842
-0.00010073 0.00047750 0.00007620
0.03381788 -0.01583699 0.02256701
-6.33901871 8.08508106 -25.15680394
0.00010779 0.00012039 0.00016562
0.01884291 0.00695570 -0.05663771
2.27537765 1.91958581 -1.94636939
-0.00017396 -0.00007322 -0.00011601
-0.02230716 -0.01406262 0.00528075
14.53632337 8.19454011 4.14780175
-0.00015839 -0.00002910 -0.00010529
0.00937948 0.03868159 -0.01246575
-8.21575151 -6.89302407 9.85883828
0.00052299 -0.00096317 -0.00061166
0.01952732 -0.01252669 0.00886842
-10.41590405 -5.67992466 8.72343381
0.00013080 -0.00001313 0.00080334
-0.00926649 0.00833348 -0.00464913
-13.30205209 5.28778622 7.09896045
-0.00017346 -0.00056571 -0.00002604
0.00480413 0.00787352 -0.00356383
-13.10839221 3.33570096 9.21965040
0.00081432 0.00004714 0.00084212
-0.00280648 -0.00557503 -0.00481351
-14.57168931 1.60165190 4.18452366
0.00028766 0.00034111 0.00040095
0.01493148 0.00189427 0.01312884
-17.29353035 0.90919108 3.99747477
-0.00073770 -0.00006909 0.00083963
-0.02654777 -0.00987886 0.00740416
2.24122723 -21.31298001 12.59619208
0.00007356 0.00165975 0.00013820
0.00895510 -0.00084902 0.00139349
3.51288094 -19.77997490 14.67871614
-0.00022183 -0.00016469 -0.00115195
0.04041170 -0.00530331 0.03439291
9.42231064 19.17113799 -0.05182915
0.00162013 -0.00037648 -0.00011083
0.00337302 -0.03668855 -0.00470957
8.67571401 21.49075153 1.19222995
-0.00030103 0.00019730 -0.00049022
0.00699564 0.00761712 -0.00436508
-10.57773169 12.13004715 16.66052437
-0.00037041 -0.00029872 0.00017799
0.01608376 -0.02279817 0.04368663
-11.13028215 14.68261826 15.74754325
-0.00007437 0.00076024 -0.00030724
-0.00761598 -0.03161375 -0.01725837
-6.12151351 0.09935756 -14.41593095
0.00009119 -0.00025930 -0.00009866
0.01051365 0.00632312 0.00647152
-7.51058272 0.30754936 -11.87388209
-0.00015842 -0.00037577 0.00000559
0.03850783 0.01141886 0.00221937
-7.64636160 8.05713308 -7.39038599
0.00030484 -0.00067907 -0.00125370
-0.00520449 -0.00544188 0.00396452
-9.66254514 7.46308858 -5.41688846
0.00059801 0.00107386 -0.00076890
-0.00937470 0.00850080 0.02316912
-7.54255112 -1.93888431 17.93654939
0.00038344 -0.00052085 0.00017108
0.00851846 -0.04735087 0.00393919
-7.25144184 -4.44141568 19.76334775
-0.00051702 -0.00054735 -0.00067660
-0.00334125 0.00298344 -0.02209306
-24.27063970 -5.95089067 -23.92643137
-0.00024808 0.00032038 -0.00045282
-0.01112552 0.00249044 0.00562691
-21.90853380 -7.28367261 -24.14614827
-0.00017535 -0.00191198 -0.00049865
0.01110752 -0.00622536 0.00044164
8.66607399 13.36581240 4.96549087
0.00013584 0.00060146 0.00026733
0.00376694 -0.01017729 -0.06377154
9.76911637 12.13111112 7.56168214
0.00023557 -0.00010842 0.00108182
-0.01209002 0.00177907 -0.01094839
23.82041324 27.16750420 -2.58221993
-0.00143168 -0.00095910 0.00016811
-0.00146314 -0.01795084 0.00327733
22.18763146 29.21915309 -1.24690494
-0.00072928 -0.00089918 -0.00029387
0.00323919 0.00545753 -0.00435654
11.24638784 -0.10756541 -13.86096009
0.00021718 0.00117320 0.00082660
-0.03520843 0.01002792 -0.02237568
8.67303238 -1.28487507 -14.24316656
0.00095892 0.00008648 0.00090843
-0.00364084 -0.00539470 -0.00343860
-9.42537031 -1.11332393 14.12702588
0.00064627 0.00040485 -0.00048901
0.00056774 -0.01000794 0.02424735
-9.04295550 -2.99700095 11.55212978
0.00069215 -0.00057058 -0.00050466
-0.00630845 0.01305178 0.02894259
-3.22826970 -26.62672774 11.95184420
-0.00049160 -0.00024579 -0.00014535
0.00662594 0.01003445 -0.01992243
-3.20615030 -25.33739544 9.12853369
-0.00030707 0.00071996 -0.00009358
-0.01051299 0.00214982 -0.00044733
-15.01067580 -2.52177993 -6.83636161
0.00000632 -0.00065395 -0.00012481
0.00408181 0.00530606 0.00672688
-16.28736068 -3.92032792 -9.07245408
-0.00089058 -0.00024265 -0.00037542
-0.00222280 0.00150172 0.01109697
-19.25283750 -9.44292441 -18.87382196
0.00035866 -0.00060522 0.00045238
0.01906180 0.04371656 -0.02388358
-18.22212830 -12.40394275 -18.94648181
0.00021170 0.00038022 -0.00019418
-0.00221096 0.02216986 -0.00227528
22.52977437 6.11352554 4.09306948
0.00031742 -0.00064652 0.00017767
-0.00809971 0.00907355 0.00632885
19.95120479 7.00990244 5.39055493
-0.00157627 -0.00005377 0.00000444
-0.00228114 0.01868311 -0.00167121
18.60252819 -11.13491583 -11.98752894
0.00083317 0.00001307 -0.00119793
-0.02121492 0.00361931 0.03510564
19.19748389 -10.30701421 -14.52094801
0.00039713 0.00092995 0.00053173
0.00737592 -0.00269565 -0.00629671
-1.66481035 0.40382889 -6.47297101
0.00045809 -0.00083964 0.00004203
-0.01710375 -0.01502275 -0.00580294
-4.40374225 1.00674787 -6.14163778
-0.00015779 -0.00008073 0.00025651
-0.00834910 -0.00737411 0.00149583
-3.44711309 -4.18867416 -19.03936449
-0.00043709 0.00087866 0.00014462
0.00485082 -0.01310981 -0.00463684
-3.60042640 -1.46217874 -18.47800290
0.00033296 0.00058991 0.00001667
0.00225431 0.01423759 0.00082252
14.45300520 18.13822899 -20.61510152
0.00059418 0.00042564 -0.00017145
-0.01354956 -0.01583769 0.00080950
12.66126417 15.76346358 -21.23148712
0.00007368 0.00002429 0.00083455
-0.02159718 0.00390992 0.00521607
-13.99466274 17.30178000 -11.71355582
-0.00004167 0.00078761 0.00013398
-0.01152710 0.01365836 -0.03795804
-14.22094602 16.25317070 -14.56875698
0.00033476 0.00077231 0.00008266
-0.00606780 0.01969817 0.02199907
1.95862627 15.89371514 6.18161574
0.00052791 -0.00066200 -0.00069904
-0.00194109 -0.00536934 -0.00024232
-0.16525829 16.10418731 8.15373946
-0.00161272 0.00022658 0.00057092
0.01280269 -0.01430871 0.00092040
-4.55558300 -7.82145189 2.64963009
-0.00016088 -0.00049176 0.00029396
0.00073365 -0.01873731 0.00629126
-3.21203901 -10.54745515 2.83332145
-0.00037317 0.00041484 -0.00049987
-0.01627967 0.02592476 0.01136165
1.54009471 -3.44167406 3.22432458
0.00006589 0.00015209 0.00029253
0.01109439 -0.05420017 -0.01928999
3.34940393 -4.38285312 1.20655644
-0.00045786 -0.00153899 0.00045681
-0.01093654 -0.02101649 0.00608410
8.34534607 7.26484352 3.13583562
0.00037485 -0.00086075 -0.00119542
-0.03407920 0.00342314 -0.02952181
11.14532323 7.89150199 3.60436887
-0.00005371 -0.00009370 0.00034114
0.02913499 0.00818749 -0.00677994
-8.36979537 -12.07204577 -2.15042680
-0.00051934 -0.00128112 -0.00026827
-0.01008731 0.03613845 -0.00768353
-10.14247914 -9.85058529 -0.91851246
-0.00005969 0.00053685 0.00034541
-0.01582930 0.00766046 0.02132778
4.74389222 -16.72009115 -13.51631674
-0.00085793 -0.00111066 0.00030958
0.01321448 0.00562920 0.00035176
2.48254313 -16.40146491 -11.77588270
-0.00029150 -0.00129947 0.00079874
0.00175801 0.00781431 -0.01098445
4.51900676 -4.76043805 -4.39971960
0.00059218 -0.00034821 0.00037446
-0.01304925 -0.01513373 0.02371416
5.41543683 -6.41160698 -2.28724249
0.00015316 0.00087059 -0.00033993
0.02071230 -0.01513980 0.01615812
16.53767352 2.15587151 24.53939719
-0.00022884 -0.00083865 -0.00043539
0.00731047 0.00785052 -0.00396932
19.36430959 3.22630307 24.84826037
-0.00033534 -0.00010908 -0.00093265
-0.00094045 0.01603333 0.00996716
-9.89526279 0.65664919 1.39909474
-0.00130174 0.00015678 0.00041411
0.00093921 0.00576563 -0.00153389
-10.10895493 3.31121033 2.63852884
-0.00047179 -0.00045669 -0.00047084
0.00476634 0.00110592 -0.00518358
-5.15405894 13.76850858 -8.70974193
-0.00014096 -0.00002776 -0.00008711
0.00030003 -0.01144103 -0.00161655
-7.55314760 12.09186453 -9.44914112
0.00044343 -0.00000351 -0.00062757
0.01713754 0.00491669 0.00057577
1.20683485 11.77212676 -6.68049711
-0.00072838 0.00080244 0.00070892
-0.00403757 0.01557741 -0.00341325
2.67911979 14.25340019 -6.13850691
0.00068802 -0.00148056 0.00033599
-0.01866922 -0.01543716 -0.02152822
-11.03011024 8.29317689 -12.78363473
-0.00082970 0.00068271 0.00006544
0.00268690 -0.03240624 -0.01782787
-11.72241713 9.94473829 -10.66570112
-0.00037189 0.00033614 -0.00004156
-0.00139756 0.00993499 -0.02096847
7.08415047 5.25076749 13.97232699
-0.00004279 0.00032579 0.00050661
0.00920849 -0.01810196 0.00958581
9.58878009 3.85445268 14.30840129
-0.00022064 0.00109418 -0.00096462
0.00708948 0.00324150 -0.00156802
-14.12211800 11.65876122 -7.76926434
0.00012182 0.00004345 -0.00030358
-0.00495011 -0.00824239 0.01190606
-16.88882576 10.51851482 -8.06333967
0.00004340 -0.00022092 -0.00020168
0.01267312 0.00255471 0.00472869
9.38351960 9.09414243 -2.75950925
0.00008273 -0.00134361 0.00040736
-0.00398903 -0.00279431 0.00395939
7.45806252 8.11227152 -4.58553093
-0.00120230 -0.00039213 -0.00093700
-0.00259667 0.00449770 -0.00480969
14.21908963 -19.04123408 -27.49008938
-0.00078575 0.00073788 -0.00018596
-0.00290211 0.00479398 -0.00264447
13.92100626 -20.08224723 -24.83728207
0.00089563 0.00039443 -0.00038095
-0.00171825 0.00101604 0.00524535
5.41220768 4.90496118 2.17343521
0.00108925 -0.00026962 0.00074204
0.00554864 -0.03365619 -0.00164257
5.48224538 7.11333851 0.20755819
0.00049375 0.00065830 -0.00020083
0.00676784 -0.00355665 -0.02227368
19.74265359 -4.99847151 -6.77860094
-0.00073812 0.00011897 0.00025106
-0.01605959 -0.02182069 -0.00841556
16.89036282 -4.87658117 -6.28750507
-0.00015681 -0.00033885 -0.00003695
0.00148609 -0.00959441 -0.00262359
-2.52254317 -0.72357981 -1.02913781
0.00035625 -0.00091030 0.00053465
-0.00002572 -0.00777401 0.00419791
-2.83963034 -1.97525432 -3.62612261
-0.00055676 -0.00093557 0.00089803
0.01724906 -0.00259118 0.02949514
3.96286503 -3.65234454 -12.61487946
0.00010777 -0.00002556 -0.00008295
-0.02331611 0.02902519 0.01119059
1.12025715 -2.86324599 -11.80310463
-0.00005856 0.00016596 0.00004159
0.00200566 -0.00312406 -0.00116116
19.93801808 8.75008343 -7.76036599
0.00014763 -0.00014623 0.00049053
0.00124108 -0.00785222 -0.02057438
21.06017145 7.76132142 -5.21198521
-0.00053634 0.00003281 -0.00013895
0.00541855 -0.00505947 0.00429300
-7.41076031 3.97247264 8.45060104
-0.00021024 0.00011997 -0.00064150
0.01757347 -0.07229438 -0.00179539
-6.72946031 6.23539596 9.89404765
-0.00015270 -0.00014313 -0.00065437
0.00260465 0.00380254 0.00849326
-1.41182360 -17.97293339 11.60715039
0.00089102 -0.00017289 0.00002372
-0.00539306 0.01150708 -0.00463897
-2.60275473 -15.90460637 9.79623858
0.00078769 -0.00046784 -0.00019417
0.00516676 -0.00556722 -0.00128710
8.83000546 -0.26546442 -3.16864782
0.00083507 0.00035848 -0.00002955
-0.02846579 0.01124186 -0.04257396
7.81813337 1.52127444 -5.59343066
0.00028452 0.00006666 -0.00018145
0.00478561 0.01255796 0.00406728
0.27668087 -11.88292830 1.90376830
-0.00014031 0.00036896 -0.00048132
-0.00479743 -0.00236767 -0.00675383
-1.49573092 -10.72176398 -0.16204110
-0.00006695 -0.00030288 -0.00020670
0.00812103 -0.01479141 0.00118783
-19.35551648 -0.56011845 7.13460680
-0.00053636 0.00076576 0.00094325
-0.01365431 -0.00658830 -0.01942492
-21.43277129 0.79071283 5.71624526
0.00017487 0.00033707 -0.00077815
-0.02541695 0.01897803 -0.00045405
-5.06019304 8.49349255 -26.69815309
0.00150451 0.00061076 0.00086265
-0.02459673 -0.00752408 0.04367451
-5.20561412 7.89624727 -23.82196963
0.00088478 0.00038392 -0.00029736
0.02176330 -0.00417850 0.03086516
4.05561801 1.73051923 -1.99810178
-0.00031844 -0.00150770 0.00078837
0.01565255 -0.01389390 -0.00006816
1.44244066 0.28412094 -1.59491790
-0.00015764 0.00052257 -0.00069781
0.01445091 0.01568422 -0.00745283
14.63268954 7.59870963 5.92469446
-0.00070187 -0.00005394 0.00005670
0.00053879 0.01195639 -0.01262059
14.95419737 10.06432501 3.89597430
-0.00045183 0.00071106 0.00006444
-0.00352677 -0.04536792 0.01876885
1.74418455 -11.66535319 -13.99643884
0.00035711 0.00018317 -0.00008280
0.00966194 0.00626695 0.00192685
-13.60250254 14.74923324 22.87549169
-0.00005667 0.00014009 0.00013953
0.00088609 0.00267062 0.00187032
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02427896
0.32305227
430.45095091
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1326338561
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3569568169 (a.u.)
total exchange computation time: 2.6131849289 s
-154.1408138970
-931.34389651
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1326338561
ExchangeOperator: bisection time: 1.430 s
total exchange = -52.3564564103 (a.u.)
total exchange computation time: 2.6147160530 s
-154.1453641683
Anderson extrapolation: theta=1.3450725272 (1.3450725272)
-931.34416496
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1326338561
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3556932434 (a.u.)
total exchange computation time: 2.6146259308 s
-154.1521135723
Anderson extrapolation: theta=0.0522587457 (0.0522587457)
-931.34432583
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1326338561
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3555791073 (a.u.)
total exchange computation time: 2.6138529778 s
-154.1530541995
Anderson extrapolation: theta=1.9477131190 (1.9477131190)
-931.34433208
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1326338561
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3553308364 (a.u.)
total exchange computation time: 2.6136231422 s
-154.1550528783
Anderson extrapolation: theta=0.2256429564 (0.2256429564)
-931.34433878
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1326338561
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3552661130 (a.u.)
total exchange computation time: 2.6140959263 s
-154.1555283809
Anderson extrapolation: theta=1.8967029624 (1.8967029624)
-931.34434010
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1326338561
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3551617442 (a.u.)
total exchange computation time: 2.6152749062 s
-154.1562368461
Anderson extrapolation: theta=0.2877673239 (0.2877673239)
-931.34434178
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1326338561
ExchangeOperator: bisection time: 1.432 s
total exchange = -52.3551512772 (a.u.)
total exchange computation time: 2.6136431694 s
-154.1562484671
Anderson extrapolation: theta=1.3109900331 (1.3109900331)
-931.34434217
-66.414724 -215.496667 -245.127432
-137.022505 458.283785 -807.430011
-203.437229 242.787118 -1052.557443
1099.185817
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1326338561
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3551527071 (a.u.)
total exchange computation time: 2.6408579350 s
678.75237303
-1083.59140043
89.73544850
-389.12678651
-174.75882434
78.24225023
551.60419304
0.00000000
-931.34434246
-9.08191477 -5.32207028 9.90713912
0.00010499 0.00003747 0.00011404
0.00174249 -0.01433326 -0.01096850
-13.74600869 4.99600860 8.84610863
0.00000488 -0.00003654 -0.00018843
-0.00615554 -0.00024415 0.01114841
-15.90973452 1.47453122 2.99004507
0.00000059 -0.00006677 -0.00008791
0.01223982 0.00802477 -0.01471208
2.20773915 -19.74885466 13.54000165
-0.00031539 -0.00033374 0.00023990
-0.05729605 0.01255828 -0.03748257
10.09886224 20.81328921 0.18449625
0.00016776 -0.00008978 -0.00039577
-0.02040310 0.02545736 0.00873784
-11.29117755 12.86016089 15.21863556
0.00003707 0.00021346 0.00001258
0.00077242 0.06731949 -0.02897798
-5.91528919 0.98465025 -12.80416324
-0.00000100 -0.00010311 0.00008002
-0.04506500 -0.02192728 -0.00866127
-8.89957356 6.82174394 -6.88520448
-0.00010664 0.00012121 -0.00017032
0.00954613 -0.01376722 -0.04252701
-7.19534234 -3.86154571 17.95202497
0.00025208 -0.00010174 -0.00007635
-0.01593058 0.04234513 0.01791233
-23.66571071 -7.67006150 -23.86432332
-0.00017303 0.00006914 -0.00047146
-0.00173990 0.00185870 -0.00269649
8.76102537 13.46260369 6.68816266
0.00034965 0.00059259 -0.00000661
0.00828445 0.00988615 0.07673740
22.89141115 28.69073070 -2.85318623
-0.00033968 -0.00001047 0.00031718
-0.00438169 0.01732842 -0.00716209
9.61586267 0.20651278 -14.82122210
0.00028932 0.00021280 -0.00029768
0.04274859 -0.01018427 0.02569845
-9.33133869 -1.28619885 12.36598843
-0.00041259 -0.00018784 -0.00016785
0.00100832 0.00144194 -0.05530992
-2.19683861 -25.93767633 10.49936379
0.00011284 -0.00004583 -0.00014937
0.00578375 -0.01225790 0.01131438
-15.38727515 -4.20564895 -7.50631451
-0.00019352 -0.00015088 -0.00041994
-0.00702824 -0.00881204 -0.01560164
-19.38962993 -11.08829236 -18.31607075
-0.00004170 -0.00015570 -0.00009386
-0.01316163 -0.07201242 0.02444801
20.89938160 5.63401100 4.77441805
-0.00021107 0.00045766 0.00016108
0.01119751 -0.02992909 -0.00622835
19.84435425 -11.44787760 -13.22347388
0.00035952 0.00011810 0.00011043
0.00852218 -0.00024336 -0.04456822
-3.34886686 -0.44241891 -6.50967616
-0.00006771 0.00005383 0.00007252
0.03255702 0.02641809 0.00180935
-3.53668281 -3.07623041 -17.63081397
0.00026180 0.00012052 -0.00012087
-0.00564693 0.01217136 0.00944386
14.31805154 16.47899852 -21.40366353
0.00022096 0.00015833 -0.00019316
0.03702088 0.01953700 -0.00374850
-14.55375901 17.87085535 -13.47035440
0.00002069 0.00011446 -0.00020610
0.01293959 -0.03615316 0.02458826
1.26963958 15.01573338 7.63285484
-0.00012606 -0.00001332 -0.00047819
-0.01629926 0.02226363 0.00324964
-4.16122330 -9.20544601 3.81935542
0.00035837 -0.00009386 -0.00011886
0.00637556 -0.01582421 -0.01065786
2.08817115 -5.15026001 2.34863293
0.00010558 0.00027901 0.00006440
-0.00553509 0.06905645 0.02720096
9.64054116 7.24878695 4.31276620
-0.00004806 0.00003576 -0.00010104
0.00006430 -0.01811724 0.03626290
-9.40257721 -10.42083790 -2.42156037
-0.00023821 -0.00020190 0.00031795
0.02261602 -0.04441621 -0.01932755
3.36225610 -15.57405339 -13.18946825
-0.00007341 0.00022863 -0.00030951
-0.01621240 -0.01878822 0.02244516
3.87314556 -5.72131346 -2.87126323
0.00005376 -0.00004132 0.00045112
-0.00686571 0.02909643 -0.04573250
18.35192438 1.79474724 24.40228857
-0.00006049 -0.00021803 -0.00008225
-0.01058285 -0.02970033 -0.00913322
-9.04142073 2.29085891 1.54581097
-0.00002372 -0.00027904 0.00000302
-0.00072718 -0.00328838 0.00625739
-5.71161849 12.25297372 -9.69061189
0.00024378 -0.00051424 0.00009826
-0.01958041 0.00464779 0.00291694
1.65093373 13.38564891 -7.48203386
0.00016164 0.00015431 0.00005038
0.02201851 -0.00221943 0.02674469
-11.35943476 10.01116954 -12.49837232
-0.00018009 -0.00019954 0.00013542
-0.00032577 0.03277471 0.04074184
7.82801932 3.68773636 14.70350913
-0.00002293 -0.00042651 0.00012613
-0.00985788 0.03603149 -0.02627321
-15.19843722 10.18759893 -7.38461563
0.00020406 0.00049149 0.00058020
-0.02223978 -0.00289671 -0.01762629
8.32554298 7.61872682 -3.06319966
-0.00030060 0.00004378 0.00005315
-0.00095222 -0.00165192 0.00287704
14.11887313 -20.61791153 -26.56634753
-0.00007380 0.00013659 0.00030397
0.00381618 0.00479358 -0.00893878
5.14428423 6.64111140 1.90901742
-0.00004164 -0.00029689 0.00021561
-0.01360202 0.03786667 0.01199163
18.15521364 -5.80168594 -7.35693130
-0.00010885 0.00026033 0.00027378
0.01429070 0.02185582 0.00459754
-1.98476438 -2.25443326 -1.90330676
-0.00014813 0.00004452 0.00017207
-0.01514405 0.01057496 -0.02555509
2.84559254 -2.20327635 -12.01171417
0.00008630 -0.00018113 0.00003521
0.02048432 -0.02080757 -0.00880972
19.87602943 8.93037499 -5.98471291
0.00031100 -0.00047719 0.00012709
-0.01535450 0.01446073 0.01658144
-7.73607639 5.66219184 8.50937831
-0.00004486 -0.00001820 -0.00026019
-0.01823268 0.07332125 -0.00212325
-1.67141290 -16.16924824 11.33636701
0.00007842 -0.00007735 -0.00003398
0.00226334 -0.00765130 0.01165098
7.65255636 -0.06004494 -4.72189439
0.00003170 0.00055754 0.00008425
0.02116503 -0.03721403 0.05545459
-1.13662099 -12.34140788 0.76268846
-0.00023153 -0.00019418 0.00018723
-0.00718848 0.02213081 -0.00006369
-20.04713837 -0.25122358 5.37438850
-0.00008234 0.00046871 0.00008839
0.03770381 -0.01834810 0.02484251
-6.33732914 8.08691369 -25.15453811
0.00011840 0.00012398 0.00013681
0.02242503 0.00701011 -0.05538793
2.27268216 1.91843322 -1.94808917
-0.00018472 -0.00007973 -0.00011352
-0.01950957 -0.01123452 0.00442088
14.53398367 8.19425281 4.14617433
-0.00015343 -0.00000856 -0.00011160
0.00992663 0.04120878 -0.01208173
-8.20730827 -6.90785544 9.84993509
0.00059362 -0.00099720 -0.00057487
0.01504662 -0.00413447 0.00914449
-10.41422604 -5.67986623 8.73534139
0.00008705 0.00001996 0.00077946
-0.01214935 0.00786164 -0.00703817
-13.30450675 5.27954184 7.09846066
-0.00015271 -0.00053328 -0.00004455
0.00535092 0.00800010 -0.00549563
-13.09626334 3.33623725 9.23213467
0.00080025 0.00003106 0.00082018
-0.00408503 -0.00229541 -0.00592523
-14.56691681 1.60682660 4.19094026
0.00034081 0.00034765 0.00044795
0.01108572 0.00130928 0.00987533
-17.30540933 0.90785208 4.01029613
-0.00083268 -0.00010407 0.00086019
-0.01994677 -0.00724549 0.00265796
2.24260503 -21.28810971 12.59830784
0.00010964 0.00163376 0.00012991
0.00870725 -0.01187331 -0.00545430
3.51079182 -19.78260773 14.66249081
-0.00004339 -0.00018547 -0.00100069
0.04693869 -0.00487061 0.03965107
9.44671602 19.16436657 -0.05363597
0.00163127 -0.00052925 -0.00012941
0.00207804 -0.03809434 -0.00438307
8.67141291 21.49394440 1.18474291
-0.00026930 0.00022441 -0.00051127
0.00853601 0.00565691 -0.00593919
-10.58279504 12.12486770 16.66453298
-0.00030690 -0.00038784 0.00035295
0.01500703 -0.02082312 0.04195732
-11.13163100 14.69305309 15.74240583
-0.00010505 0.00062559 -0.00037742
-0.00740600 -0.03429896 -0.01709370
-6.11982343 0.09566176 -14.41721257
0.00013429 -0.00023196 -0.00006976
0.01058279 0.00706080 0.00767601
-7.51177904 0.30226265 -11.87373029
-0.00000055 -0.00032859 0.00001446
0.03877193 0.01167984 0.00212255
-7.64194849 8.04678028 -7.40907004
0.00028340 -0.00070141 -0.00123682
-0.00528997 -0.00549391 0.00429708
-9.65386221 7.47945694 -5.42771193
0.00055678 0.00111178 -0.00066811
-0.01081020 0.01006477 0.02616789
-7.53653842 -1.94814801 17.93923636
0.00041703 -0.00070946 0.00018694
0.00792240 -0.04497570 0.00382402
-7.25929957 -4.44953443 19.75252177
-0.00053047 -0.00053638 -0.00076155
-0.00324221 0.00238514 -0.01949056
-24.27470184 -5.94600868 -23.93305131
-0.00028867 0.00032651 -0.00042981
-0.00874492 0.00051059 0.00563778
-21.91082361 -7.31254306 -24.15361455
-0.00012617 -0.00193330 -0.00049787
0.01296422 -0.00421323 -0.00005715
8.66822701 13.37452238 4.96754673
0.00015138 0.00055866 0.00000353
0.00384126 -0.01077025 -0.06536031
9.77227951 12.12953930 7.57757396
0.00018059 -0.00009426 0.00103073
-0.01482666 0.00515545 -0.01406048
23.79889322 27.15256761 -2.57959786
-0.00143880 -0.00102928 0.00018052
-0.00202207 -0.01640254 0.00279907
22.17679152 29.20583262 -1.25144644
-0.00071953 -0.00087387 -0.00030318
0.00153496 0.00693225 -0.00020454
11.24856667 -0.08966017 -13.84924672
0.00007194 0.00121455 0.00073272
-0.03589091 0.01021494 -0.02357842
8.68730456 -1.28374322 -14.22964547
0.00094354 0.00006580 0.00089235
-0.00388458 -0.00472780 -0.00443165
-9.41565880 -1.10755792 14.12043367
0.00064924 0.00036446 -0.00038423
0.00088436 -0.00975872 0.02704540
-9.03276652 -3.00515969 11.54544671
0.00066511 -0.00051248 -0.00038375
-0.00692967 0.01538809 0.03024568
-3.23544061 -26.63010711 11.94905352
-0.00046154 -0.00020329 -0.00022870
0.00808583 0.01076962 -0.02087873
-3.21107846 -25.32653010 9.12711626
-0.00034536 0.00072653 -0.00009005
-0.00823123 0.00106441 0.00217623
-15.01045587 -2.53142661 -6.83802756
0.00002327 -0.00062797 -0.00009694
0.00421138 0.00741321 0.00691225
-16.30078743 -3.92392166 -9.07774530
-0.00089742 -0.00023622 -0.00032593
-0.00112878 0.00164443 0.01312756
-19.24687350 -9.45066311 -18.86776818
0.00043728 -0.00041666 0.00035221
0.01942309 0.04858390 -0.02514876
-18.21902048 -12.39756016 -18.94946421
0.00020383 0.00046816 -0.00020349
-0.00164468 0.02087742 -0.00228051
22.53428750 6.10410579 4.09592853
0.00028089 -0.00060692 0.00020527
-0.00978104 0.01030937 0.00717937
19.92749087 7.00966841 5.39057034
-0.00158020 0.00001972 -0.00000555
0.00035809 0.01729162 -0.00321733
18.61437565 -11.13460890 -12.00442210
0.00073165 0.00002994 -0.00103765
-0.02848091 0.00464037 0.04335143
19.20366681 -10.29314759 -14.51316506
0.00042970 0.00091657 0.00050617
0.00856744 -0.00385130 -0.00621526
-1.65846312 0.39077390 -6.47251830
0.00038590 -0.00089976 0.00001880
-0.01823515 -0.01440568 -0.00556928
-4.40636493 1.00531097 -6.13774426
-0.00019040 -0.00010995 0.00026266
-0.00761395 -0.00692862 0.00151489
-3.45352085 -4.17589600 -19.03733729
-0.00041682 0.00081689 0.00011599
0.00507514 -0.01712749 -0.00937758
-3.59536292 -1.45289382 -18.47772762
0.00034234 0.00064322 0.00002286
0.00233819 0.01185900 0.00220555
14.46150272 18.14412829 -20.61764852
0.00053854 0.00035775 -0.00016963
-0.01368774 -0.01739409 0.00008227
12.66170757 15.76394767 -21.21880902
-0.00000998 0.00004221 0.00085552
-0.01935697 0.00486521 0.00504629
-13.99564105 17.31401275 -11.71270932
-0.00008880 0.00084242 -0.00002170
-0.01154223 0.01317020 -0.03824777
-14.21611049 16.26535900 -14.56684296
0.00031057 0.00084810 0.00016967
-0.00577690 0.01740073 0.02059448
1.96648551 15.88362055 6.17112266
0.00051663 -0.00068254 -0.00069789
-0.00358302 -0.00468153 0.00080613
-0.18905683 16.10714760 8.16233145
-0.00154408 0.00015929 0.00056675
0.02079667 -0.01863241 -0.00296060
-4.55797377 -7.82940240 2.65423224
-0.00015937 -0.00056229 0.00031564
0.00000681 -0.01578775 0.00432388
-3.21813549 -10.54043818 2.82617161
-0.00043613 0.00051565 -0.00045531
-0.01453800 0.02342522 0.01045021
1.54142297 -3.44105353 3.22812147
0.00011224 -0.00006866 0.00021247
0.01159465 -0.05385977 -0.01990308
3.34220084 -4.40658197 1.21359506
-0.00049004 -0.00161533 0.00047053
-0.00481159 -0.01635202 0.00062947
8.34992460 7.25203712 3.11699968
0.00024311 -0.00084702 -0.00130926
-0.03041213 0.00329783 -0.02620190
11.14541033 7.89034734 3.60927818
0.00006821 -0.00005923 0.00031213
0.03054726 0.00868689 -0.00741785
-8.37789452 -12.09015516 -2.15468626
-0.00056195 -0.00112838 -0.00029829
-0.01077478 0.03862985 -0.00701025
-10.14385956 -9.84229781 -0.91267773
-0.00012227 0.00056576 0.00042908
-0.01480600 0.00649125 0.01962891
4.73142817 -16.73657852 -13.51166222
-0.00080431 -0.00108478 0.00030900
0.01303545 0.00703850 -0.00063888
2.47822450 -16.42071750 -11.76423825
-0.00027628 -0.00125553 0.00073820
0.00569037 0.01369336 -0.01865037
4.52748956 -4.76612493 -4.39337602
0.00053611 -0.00040894 0.00047033
-0.01439397 -0.01459611 0.02321375
5.41836894 -6.39901205 -2.29184635
0.00024468 0.00080424 -0.00026915
0.02408640 -0.01733970 0.01849254
16.53446489 2.14353227 24.53274468
-0.00019894 -0.00080573 -0.00045134
0.00732541 0.00826523 -0.00383921
19.35925062 3.22515825 24.83457610
-0.00033740 -0.00004007 -0.00089076
-0.00006391 0.01774308 0.01053765
-9.91476016 0.65917752 1.40525938
-0.00129480 0.00018037 0.00040604
0.00246074 0.00578108 -0.00241812
-10.11588571 3.30439384 2.63130746
-0.00045211 -0.00044896 -0.00049042
0.00486846 0.00268151 -0.00440100
-5.15616420 13.76774163 -8.71109819
-0.00013985 -0.00007646 -0.00009475
0.00024515 -0.01239895 -0.00212228
-7.54597107 12.09196257 -9.45853704
0.00050830 0.00001557 -0.00062420
0.01462008 0.00442332 0.00107358
1.19578541 11.78464074 -6.66996792
-0.00074611 0.00086343 0.00069355
-0.00464104 0.01427814 -0.00411182
2.68886808 14.23071881 -6.13412668
0.00061446 -0.00153823 0.00024975
-0.01734224 -0.01279635 -0.02068962
-11.04247344 8.30242458 -12.78319949
-0.00081610 0.00053347 -0.00001024
0.00397222 -0.04065025 -0.01921431
-11.72803825 9.95008486 -10.66696700
-0.00037762 0.00037609 -0.00012502
-0.00140890 0.00961973 -0.01988574
7.08379073 5.25509964 13.98021984
-0.00000525 0.00024675 0.00054829
0.00916946 -0.02059093 0.01081962
9.58568772 3.87096476 14.29388399
-0.00019365 0.00110490 -0.00096913
0.00612068 0.00200535 -0.00063933
-14.12044239 11.65916034 -7.77345322
0.00010352 0.00001282 -0.00025511
-0.00400970 -0.00675002 0.01182114
-16.88778646 10.51527933 -8.06621992
0.00009893 -0.00021087 -0.00018078
0.01450831 0.00236434 0.00550075
9.38463836 9.07390269 -2.75327752
0.00007211 -0.00134396 0.00042327
-0.00121294 0.00262070 0.00383002
7.43994848 8.10652732 -4.59973324
-0.00120199 -0.00037569 -0.00094042
0.00274918 0.00355207 0.00313177
14.20721450 -19.03001903 -27.49295987
-0.00079803 0.00074767 -0.00019153
-0.00310958 -0.00000019 -0.00008133
13.93438799 -20.07629966 -24.84283560
0.00088734 0.00040106 -0.00034902
-0.00233916 0.00223054 0.01038639
5.42871653 4.89988563 2.18451552
0.00111159 -0.00040259 0.00073305
0.00538295 -0.03143351 -0.00275983
5.48985908 7.12310397 0.20386317
0.00051916 0.00063862 -0.00027935
0.00566742 -0.00607653 -0.01616019
19.73108971 -4.99735568 -6.77509296
-0.00079607 0.00003365 0.00021909
-0.01230857 -0.01994168 -0.00723240
16.88805623 -4.88195798 -6.28813970
-0.00015379 -0.00037548 -0.00004521
-0.00000818 -0.00833252 -0.00142034
-2.51720018 -0.73747256 -1.02098942
0.00035242 -0.00093250 0.00055602
-0.00184880 -0.00309290 0.00626203
-2.84745315 -1.98936723 -3.61174841
-0.00048854 -0.00094372 0.00101392
0.01614535 -0.00139870 0.02723835
3.96376717 -3.65183853 -12.61578077
0.00001261 0.00009167 -0.00003808
-0.02326792 0.02835989 0.01077406
1.11944026 -2.86085229 -11.80251633
-0.00004972 0.00015269 0.00003671
0.00231979 -0.00337356 -0.00122900
19.94027060 8.74764943 -7.75363846
0.00015260 -0.00017888 0.00039993
0.00118918 -0.00813224 -0.02377767
21.05229235 7.76165860 -5.21393784
-0.00050485 0.00000318 -0.00011581
0.00999637 -0.00944587 0.00703250
-7.41337540 3.97205693 8.44092357
-0.00013832 -0.00017540 -0.00064892
0.01763386 -0.07229574 -0.00183951
-6.73167093 6.23336557 9.88449232
-0.00013819 -0.00012595 -0.00061477
0.00449616 0.00460693 0.01089347
-1.39862358 -17.97517414 11.60736397
0.00086807 -0.00012298 0.00000441
-0.00583896 0.01292494 -0.00481011
-2.59078109 -15.91179452 9.79328653
0.00080653 -0.00049003 -0.00020351
0.00405788 -0.00529572 -0.00328399
8.84165928 -0.25974269 -3.17039561
0.00071635 0.00040474 -0.00020543
-0.02965120 0.01139893 -0.04352404
7.82254780 1.52265917 -5.59602783
0.00030489 0.00012110 -0.00016631
0.00518774 0.01409124 0.00334765
0.27442919 -11.87746650 1.89634156
-0.00015799 0.00035859 -0.00050649
-0.00385601 -0.00270564 -0.00556742
-1.49648628 -10.72676040 -0.16510525
-0.00003461 -0.00036414 -0.00020154
0.00770932 -0.01519521 0.00133783
-19.36398023 -0.54883396 7.14816036
-0.00059361 0.00073888 0.00085875
-0.01437227 -0.00657117 -0.02193912
-21.43092704 0.79635037 5.70455917
0.00006503 0.00041931 -0.00077908
-0.02835287 0.02127940 -0.00000167
-5.03837914 8.50242337 -26.68387506
0.00139976 0.00057975 0.00103775
-0.02667886 -0.00765575 0.04204101
-5.19167550 7.90187805 -23.82548424
0.00096946 0.00036701 -0.00017192
0.01968536 -0.00409844 0.03053709
4.05132107 1.70747799 -1.98627834
-0.00025461 -0.00156211 0.00078770
0.01559040 -0.01274242 -0.00026079
1.44051886 0.29244006 -1.60561335
-0.00010445 0.00057883 -0.00072616
0.01158748 0.01185492 -0.00642779
14.62217806 7.59826691 5.92515818
-0.00069944 -0.00000468 0.00000399
0.00065065 0.01215459 -0.01318187
14.94731189 10.07360076 3.89751609
-0.00046713 0.00052016 0.00014152
-0.00396197 -0.04807904 0.01896149
1.74956719 -11.66258888 -13.99767562
0.00036054 0.00018541 -0.00008213
0.00946218 0.00625964 0.00179821
-13.60335101 14.75133928 22.87758792
-0.00005643 0.00014072 0.00013997
0.00112731 0.00273094 0.00193235
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02446630
0.31987616
426.21895017
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555959302
ExchangeOperator: pair fraction: ispin=0: 0.1316819903
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3587561165 (a.u.)
total exchange computation time: 2.6586048603 s
-154.1465061039
-931.34205682
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555959302
ExchangeOperator: pair fraction: ispin=0: 0.1316819903
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3582326674 (a.u.)
total exchange computation time: 2.6544268131 s
-154.1513873854
Anderson extrapolation: theta=1.3518668891 (1.3518668891)
-931.34233938
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555959302
ExchangeOperator: pair fraction: ispin=0: 0.1316819903
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3574679470 (a.u.)
total exchange computation time: 2.6557338238 s
-154.1584383217
Anderson extrapolation: theta=0.0555572126 (0.0555572126)
-931.34251106
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555959302
ExchangeOperator: pair fraction: ispin=0: 0.1316819903
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3573809546 (a.u.)
total exchange computation time: 2.6581358910 s
-154.1592600589
Anderson extrapolation: theta=2.0633152672 (2.0000000000)
-931.34251856
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555959302
ExchangeOperator: pair fraction: ispin=0: 0.1316819903
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3572020102 (a.u.)
total exchange computation time: 2.6558589935 s
-154.1609505532
Anderson extrapolation: theta=0.2711110852 (0.2711110852)
-931.34252734
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555959302
ExchangeOperator: pair fraction: ispin=0: 0.1316819903
ExchangeOperator: bisection time: 1.430 s
total exchange = -52.3571633720 (a.u.)
total exchange computation time: 2.6164479256 s
-154.1613205451
Anderson extrapolation: theta=1.6400607089 (1.6400607089)
-931.34252931
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555959302
ExchangeOperator: pair fraction: ispin=0: 0.1316819903
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3571277572 (a.u.)
total exchange computation time: 2.6158299446 s
-154.1616729417
Anderson extrapolation: theta=0.3244194413 (0.3244194413)
-931.34253152
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555959302
ExchangeOperator: pair fraction: ispin=0: 0.1316819903
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3571423385 (a.u.)
total exchange computation time: 2.6151089668 s
-154.1615496414
Anderson extrapolation: theta=1.1247984694 (1.1247984694)
-931.34253211
-66.434018 -215.531455 -245.114210
-137.023292 458.251822 -807.457480
-203.457311 242.720367 -1052.571690
1099.188436
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0555959302
ExchangeOperator: pair fraction: ispin=0: 0.1316819903
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3571764965 (a.u.)
total exchange computation time: 2.6153838634 s
678.79066479
-1083.66737956
89.73109270
-389.07469031
-174.76504363
78.28405389
551.60419304
0.00000000
-931.34253250
-9.08033318 -5.32156349 9.90880734
0.00010773 0.00002811 0.00010885
0.00891407 -0.02206918 -0.00921381
-13.74595931 4.99545959 8.84332524
0.00000190 -0.00003748 -0.00018192
-0.00543042 -0.00342602 0.01416063
-15.90967853 1.47356062 2.98866968
0.00000623 -0.00006317 -0.00009339
0.00969757 0.00599004 -0.00658793
2.20278735 -19.75381233 13.54345561
-0.00034591 -0.00032445 0.00022172
-0.06139431 0.02355954 -0.03323521
10.10130001 20.81204069 0.17859335
0.00015703 -0.00007615 -0.00039102
-0.02133022 0.02755651 0.00973704
-11.29061852 12.86362242 15.21871246
0.00003789 0.00024780 -0.00000157
0.00241401 0.06622963 -0.02605451
-5.91547806 0.98301901 -12.80299642
-0.00002413 -0.00011453 0.00007529
-0.04486214 -0.02247623 -0.00973093
-8.90113638 6.82350899 -6.88792328
-0.00010151 0.00011381 -0.00019265
0.01042396 -0.01502608 -0.04432612
-7.19162261 -3.86290854 17.95094874
0.00024399 -0.00008060 -0.00006778
-0.01552846 0.03986348 0.01543753
-23.66831283 -7.66901727 -23.87140566
-0.00017486 0.00007011 -0.00047270
-0.00539825 0.00192424 -0.00211960
8.76630215 13.47153067 6.68835947
0.00035451 0.00059690 0.00003316
0.01061077 0.00689375 0.07792697
22.88629900 28.69064048 -2.84845608
-0.00034111 -0.00000256 0.00031262
-0.00116414 0.01344316 -0.01059203
9.62036732 0.20966544 -14.82558810
0.00031130 0.00020727 -0.00028401
0.04272027 -0.01131396 0.02744232
-9.33752363 -1.28901087 12.36325741
-0.00041207 -0.00018758 -0.00019693
0.00101706 -0.00045100 -0.05779136
-2.19512370 -25.93841101 10.49716688
0.00011491 -0.00005201 -0.00014407
0.00226143 -0.01178546 0.00928501
-15.39020508 -4.20794613 -7.51267380
-0.00019739 -0.00015583 -0.00042837
-0.00801194 -0.01042759 -0.01717223
-19.39030616 -11.09090566 -18.31738440
-0.00004870 -0.00019287 -0.00008116
-0.01408364 -0.07250424 0.02496854
20.89625870 5.64076040 4.77681022
-0.00020572 0.00044242 0.00015810
0.00962066 -0.02931914 -0.00534232
19.84977990 -11.44610707 -13.22198939
0.00036531 0.00011799 0.00008566
0.01398066 -0.00016182 -0.05175516
-3.34975692 -0.44150959 -6.50858140
-0.00005107 0.00006706 0.00007337
0.03216086 0.02503301 0.00151687
-3.53277765 -3.07437569 -17.63259055
0.00025882 0.00012835 -0.00011525
-0.00592667 0.01828759 0.01241110
14.32150876 16.48144888 -21.40657541
0.00023922 0.00016832 -0.00019489
0.03398338 0.01927790 -0.00297619
-14.55339875 17.87243277 -13.47335107
0.00002718 0.00009687 -0.00019308
0.01229983 -0.03224145 0.02603615
1.26768577 15.01561951 7.62569453
-0.00013582 -0.00000109 -0.00047580
-0.02165474 0.02527213 0.00602659
-4.15582312 -9.20691500 3.81753142
0.00036134 -0.00010199 -0.00012338
0.00517390 -0.01579312 -0.00691418
2.08973357 -5.14580850 2.34970392
0.00010095 0.00031295 0.00007999
-0.01250121 0.06291842 0.03342411
9.63982047 7.24925349 4.31139042
-0.00004938 0.00002646 -0.00008347
-0.00518859 -0.01805168 0.03205664
-9.40606306 -10.42403766 -2.41686565
-0.00022678 -0.00022486 0.00030845
0.02182270 -0.04488165 -0.01761502
3.36109246 -15.57069648 -13.19402439
-0.00008243 0.00021721 -0.00029608
-0.01889468 -0.02558995 0.02979367
3.87392543 -5.72182096 -2.86467286
0.00004990 -0.00002623 0.00042737
-0.00812451 0.02956727 -0.04660871
18.35097617 1.79136230 24.40101960
-0.00006604 -0.00023366 -0.00008703
-0.01097856 -0.03110691 -0.00944626
-9.04177935 2.28666058 1.54588037
-0.00002439 -0.00028112 0.00000623
-0.00185971 -0.00479790 0.00625012
-5.70803730 12.24527810 -9.68912678
0.00023446 -0.00051144 0.00009977
-0.01665460 0.00622854 0.00294726
1.65344334 13.38795498 -7.48117497
0.00017275 0.00015285 0.00006399
0.02116199 -0.00343703 0.02616972
-11.36213735 10.00830291 -12.49618385
-0.00018048 -0.00018078 0.00015619
-0.00117879 0.04014958 0.04001975
7.82763734 3.68147775 14.70529967
-0.00002759 -0.00040700 0.00011195
-0.00824926 0.03983339 -0.02883647
-15.19546218 10.19496004 -7.37598059
0.00019189 0.00048956 0.00057096
-0.02505581 -0.00457389 -0.01832074
8.32103032 7.61937720 -3.06239134
-0.00030314 0.00004176 0.00005282
-0.00892414 -0.00622050 -0.00413628
14.11778087 -20.61584416 -26.56182242
-0.00007164 0.00013993 0.00029742
0.00456712 0.00817574 -0.01653388
5.14360722 6.63680412 1.91229783
-0.00004824 -0.00027771 0.00022038
-0.01208549 0.03672182 0.00657241
18.15363601 -5.79769674 -7.35280683
-0.00010219 0.00027057 0.00027526
0.01161992 0.01799077 0.00114297
-1.98704475 -2.25372471 -1.90082423
-0.00015507 0.00004840 0.00015911
-0.01184672 0.00452627 -0.02487445
2.84696612 -2.20607359 -12.01122007
0.00009662 -0.00019140 0.00003079
0.01962009 -0.01913964 -0.00835842
19.88063524 8.92327293 -5.98274254
0.00030197 -0.00046853 0.00013553
-0.01977544 0.01920237 0.01623952
-7.73681963 5.66220166 8.50546729
-0.00005454 0.00001841 -0.00026182
-0.01942536 0.06903256 -0.00422802
-1.67022793 -16.17043793 11.33590219
0.00007990 -0.00008164 -0.00002745
0.00351185 -0.00903360 0.01377697
7.65311343 -0.05182534 -4.72041680
0.00004264 0.00053787 0.00011307
0.02140137 -0.03929509 0.05661846
-1.14012166 -12.34423522 0.76549674
-0.00023544 -0.00018270 0.00018685
-0.00803402 0.02249645 -0.00145035
-20.04822802 -0.24426367 5.37581024
-0.00006232 0.00045888 0.00010168
0.04016276 -0.01987839 0.02683562
-6.33546657 8.08880040 -25.15269957
0.00013103 0.00012753 0.00010907
0.02668493 0.00679654 -0.05250169
2.26983617 1.91719396 -1.94977485
-0.00019371 -0.00008467 -0.00011148
-0.01546211 -0.00796545 0.00347677
14.53172054 8.19428342 4.14445369
-0.00014824 0.00001305 -0.00011774
0.01023427 0.04280176 -0.01177877
-8.19794289 -6.92294020 9.84159232
0.00064594 -0.00099743 -0.00053697
0.01056338 0.00402366 0.00940590
-10.41329261 -5.67932600 8.74681762
0.00003214 0.00005094 0.00074631
-0.01473040 0.00730610 -0.00919107
-13.30663348 5.27178774 7.09762407
-0.00012985 -0.00050043 -0.00007048
0.00583868 0.00808049 -0.00719892
-13.08438482 3.33663286 9.24425581
0.00078088 0.00002833 0.00079361
-0.00539333 0.00095662 -0.00708256
-14.56146492 1.61208155 4.19796208
0.00037769 0.00035167 0.00048122
0.00696632 0.00065503 0.00641172
-17.31851076 0.90606902 4.02328037
-0.00090060 -0.00012833 0.00086128
-0.01329933 -0.00463068 -0.00212363
2.24451646 -21.26396708 12.60008933
0.00014489 0.00156182 0.00009247
0.00854650 -0.02334530 -0.01287285
3.51157938 -19.78553906 14.64869555
0.00015705 -0.00020433 -0.00083228
0.05117613 -0.00436178 0.04278327
9.47124875 19.15526049 -0.05571142
0.00163807 -0.00068488 -0.00014613
0.00125163 -0.03808593 -0.00380417
8.66763496 21.49748395 1.17689188
-0.00023181 0.00024355 -0.00053838
0.00981583 0.00371154 -0.00733175
-10.58693868 12.11841208 16.67111299
-0.00024935 -0.00046701 0.00051754
0.01316621 -0.01793123 0.03860819
-11.13343374 14.70138588 15.73622079
-0.00013470 0.00048207 -0.00044631
-0.00710551 -0.03595390 -0.01663139
-6.11748478 0.09239869 -14.41802375
0.00017747 -0.00020207 -0.00003660
0.01055586 0.00757093 0.00855539
-7.51059917 0.29769174 -11.87344842
0.00015719 -0.00028090 0.00002333
0.03844151 0.01166414 0.00222301
-7.63785958 8.03609077 -7.42749074
0.00026188 -0.00072368 -0.00121871
-0.00524402 -0.00540757 0.00457183
-9.64584179 7.49644213 -5.43693166
0.00051100 0.00115510 -0.00055755
-0.01159745 0.01113751 0.02794903
-7.53004019 -1.96016810 17.94215769
0.00044780 -0.00088612 0.00020233
0.00713752 -0.04149941 0.00370624
-7.26735599 -4.45750701 19.74050128
-0.00054360 -0.00052819 -0.00083495
-0.00318421 0.00162412 -0.01644214
-24.27929993 -5.94109539 -23.93932574
-0.00031935 0.00032442 -0.00040679
-0.00627078 -0.00153114 0.00563121
-21.91231890 -7.34167172 -24.16108434
-0.00007055 -0.00194660 -0.00049896
0.01426252 -0.00229385 -0.00047519
8.67061544 13.38257228 4.96559692
0.00016752 0.00051392 -0.00025994
0.00406085 -0.01113157 -0.06361265
9.77453398 12.12828344 7.59260407
0.00011537 -0.00006731 0.00096764
-0.01709588 0.00803286 -0.01682548
23.77724927 27.13662577 -2.57680425
-0.00144870 -0.00109200 0.00019079
-0.00282520 -0.01429683 0.00222535
22.16604565 29.19293701 -1.25600048
-0.00071691 -0.00084256 -0.00029539
-0.00025566 0.00839628 0.00402035
11.24854589 -0.07112889 -13.83897839
-0.00007424 0.00125631 0.00063497
-0.03566062 0.01022521 -0.02427260
8.70133867 -1.28290111 -14.21639597
0.00092740 0.00004823 0.00087201
-0.00401759 -0.00387306 -0.00552537
-9.40589310 -1.10238998 14.11549898
0.00065369 0.00032497 -0.00027082
0.00129198 -0.00957395 0.02847012
-9.02300224 -3.01237536 11.54061728
0.00063566 -0.00044588 -0.00025826
-0.00748538 0.01721502 0.03118178
-3.24211597 -26.63282644 11.94498326
-0.00042604 -0.00015819 -0.00031509
0.00929206 0.01130818 -0.02140947
-3.21651108 -25.31559953 9.12583221
-0.00037409 0.00072847 -0.00007571
-0.00583303 -0.00011289 0.00484165
-15.00997785 -2.54061896 -6.83926990
0.00004057 -0.00059406 -0.00006854
0.00425935 0.00918297 0.00698982
-16.31428336 -3.92741462 -9.08223199
-0.00090009 -0.00022911 -0.00026883
-0.00017801 0.00183545 0.01482332
-19.23971913 -9.45542429 -18.86325568
0.00051681 -0.00021357 0.00024882
0.01950803 0.05083132 -0.02546105
-18.21601346 -12.38989807 -18.95258637
0.00019891 0.00054995 -0.00021312
-0.00076295 0.01916329 -0.00243522
22.53820118 6.09531787 4.09922758
0.00023805 -0.00056230 0.00023603
-0.01118937 0.01153488 0.00787681
19.90379890 7.01049413 5.39038857
-0.00157273 0.00008652 -0.00002215
0.00329743 0.01540415 -0.00491055
18.62447762 -11.13401757 -12.01865842
0.00060243 0.00005063 -0.00084620
-0.03477177 0.00548468 0.05036217
19.21037480 -10.27951700 -14.50576302
0.00046691 0.00089861 0.00048097
0.00964654 -0.00493982 -0.00611704
-1.65323346 0.37683605 -6.47240692
0.00031026 -0.00095669 -0.00000344
-0.01878806 -0.01346029 -0.00532026
-4.40945425 1.00344943 -6.13375790
-0.00021996 -0.00013729 0.00026891
-0.00685687 -0.00645328 0.00154462
-3.45961757 -4.16416752 -19.03588481
-0.00039583 0.00073963 0.00006881
0.00519612 -0.02069115 -0.01371595
-3.59015614 -1.44288211 -18.47731717
0.00035206 0.00068634 0.00003471
0.00241792 0.00924666 0.00359628
14.46916138 18.14896157 -20.62019049
0.00048256 0.00028463 -0.00017032
-0.01371270 -0.01839797 -0.00041772
12.66096465 15.76472994 -21.20582166
-0.00008310 0.00006450 0.00087548
-0.01643439 0.00604436 0.00472603
-13.99732673 17.32705265 -11.71420688
-0.00013542 0.00089468 -0.00017667
-0.01127963 0.01241213 -0.03760951
-14.21162901 16.27861373 -14.56366677
0.00028776 0.00091364 0.00025018
-0.00538599 0.01467980 0.01881626
1.97412516 15.87323904 6.16067898
0.00049879 -0.00070020 -0.00069262
-0.00515165 -0.00396260 0.00177229
-0.21158082 16.10896598 8.17074199
-0.00144507 0.00007616 0.00054749
0.02767288 -0.02206096 -0.00646750
-4.56036412 -7.83832048 2.65909939
-0.00016116 -0.00061997 0.00032877
-0.00088236 -0.01244770 0.00210205
-3.22512295 -10.53198556 2.81966223
-0.00049123 0.00060513 -0.00041526
-0.01243538 0.02037436 0.00915482
1.54346183 -3.44373385 3.23069857
0.00016005 -0.00028613 0.00013076
0.01181165 -0.05259155 -0.02009295
3.33470287 -4.43131297 1.22067226
-0.00049576 -0.00167210 0.00046060
0.00200861 -0.01143672 -0.00548786
8.35263928 7.23943284 3.09655793
0.00012866 -0.00083363 -0.00140712
-0.02560973 0.00326013 -0.02170365
11.14736955 7.88972508 3.61373287
0.00019373 -0.00002366 0.00028150
0.03089320 0.00872726 -0.00757919
-8.38665402 -12.10589706 -2.15937536
-0.00060665 -0.00096673 -0.00032518
-0.01110223 0.04049787 -0.00615715
-10.14614738 -9.83361251 -0.90564002
-0.00017980 0.00058912 0.00050390
-0.01335445 0.00494222 0.01699422
4.71976302 -16.75263453 -13.50704686
-0.00075193 -0.00105274 0.00030456
0.01260378 0.00864666 -0.00153049
2.47425462 -16.43913088 -11.75373682
-0.00024651 -0.00118886 0.00064876
0.00888615 0.01894384 -0.02512845
4.53509021 -4.77270634 -4.38560975
0.00047513 -0.00046668 0.00056290
-0.01545635 -0.01366453 0.02210125
5.42277720 -6.38747981 -2.29531687
0.00034762 0.00073015 -0.00018982
0.02630446 -0.01892914 0.02034042
16.53170522 2.13169957 24.52585688
-0.00016935 -0.00077118 -0.00046677
0.00716119 0.00864598 -0.00371124
19.35418773 3.22510084 24.82153765
-0.00033657 0.00003475 -0.00084695
0.00046777 0.01888246 0.01090466
-9.93410671 0.66206014 1.41127583
-0.00128168 0.00020378 0.00039435
0.00395818 0.00567900 -0.00330379
-10.12251813 3.29774168 2.62381636
-0.00043217 -0.00043465 -0.00050666
0.00489018 0.00432275 -0.00354831
-5.15825444 13.76621480 -8.71258451
-0.00013874 -0.00012865 -0.00010420
0.00029606 -0.01314900 -0.00250085
-7.53789853 12.09233168 -9.46786717
0.00056182 0.00003251 -0.00061878
0.01157747 0.00386682 0.00157954
1.18445155 11.79802978 -6.65969073
-0.00076663 0.00091859 0.00067546
-0.00540254 0.01271914 -0.00474117
2.69755353 14.20725319 -6.13101444
0.00054688 -0.00158485 0.00016744
-0.01573649 -0.01002218 -0.01960183
-11.05459321 8.30918097 -12.78394183
-0.00079799 0.00035370 -0.00009090
0.00489152 -0.04734847 -0.02026896
-11.73374571 9.95602098 -10.66945161
-0.00038361 0.00041455 -0.00020279
-0.00152369 0.00920753 -0.01818711
7.08399295 5.25816984 13.98877577
0.00003142 0.00015894 0.00059432
0.00878329 -0.02239146 0.01171198
9.58297046 3.88759975 14.27932751
-0.00017137 0.00111042 -0.00096965
0.00478791 0.00069477 0.00038048
-14.11901251 11.65914578 -7.77691763
0.00008937 -0.00001140 -0.00020718
-0.00291583 -0.00510446 0.01164128
-16.88585799 10.51218875 -8.06876306
0.00016100 -0.00020143 -0.00015706
0.01587952 0.00225828 0.00610921
9.38568278 9.05382356 -2.74681107
0.00007317 -0.00132212 0.00043882
0.00173611 0.00807195 0.00378147
7.42200293 8.10100082 -4.61374362
-0.00118036 -0.00036267 -0.00091246
0.00783894 0.00282336 0.01055695
14.19514880 -19.01880399 -27.49583535
-0.00081100 0.00073829 -0.00018677
-0.00324056 -0.00458958 0.00241502
13.94762637 -20.07021538 -24.84775259
0.00087673 0.00041260 -0.00029664
-0.00285164 0.00341748 0.01525382
5.44555528 4.89288363 2.19542668
0.00113271 -0.00052403 0.00071919
0.00495716 -0.02801370 -0.00402261
5.49782012 7.13249702 0.19917775
0.00053986 0.00060849 -0.00033248
0.00446821 -0.00867025 -0.00985029
19.71877148 -4.99746199 -6.77202822
-0.00083732 -0.00004317 0.00019252
-0.00788199 -0.01766393 -0.00577401
16.88574914 -4.88784546 -6.28886137
-0.00015699 -0.00040681 -0.00004845
-0.00155877 -0.00700372 -0.00016450
-2.51197049 -0.75155486 -1.01245726
0.00034110 -0.00093537 0.00058609
-0.00369487 0.00169051 0.00846022
-2.85428648 -2.00356587 -3.59570487
-0.00042565 -0.00094689 0.00111915
0.01463792 -0.00015560 0.02426835
3.96324331 -3.64959445 -12.61602179
-0.00008129 0.00020482 0.00000455
-0.02269848 0.02702586 0.01009223
1.11876554 -2.85866535 -11.80200335
-0.00003955 0.00013847 0.00003158
0.00265968 -0.00358736 -0.00128373
19.94259600 8.74471703 -7.74836817
0.00015733 -0.00021251 0.00029822
0.00112520 -0.00832864 -0.02600920
21.04502588 7.76141688 -5.21545948
-0.00045490 -0.00004419 -0.00008164
0.01445445 -0.01374270 0.00969480
-7.41490977 3.96721050 8.43113336
-0.00006742 -0.00046331 -0.00065601
0.01706929 -0.06863471 -0.00163171
-6.73360599 6.23161753 9.87560462
-0.00011711 -0.00010599 -0.00056646
0.00582314 0.00516399 0.01275526
-1.38578141 -17.97662278 11.60728275
0.00084351 -0.00006811 -0.00001537
-0.00618628 0.01393349 -0.00487221
-2.57855876 -15.91930723 9.79013321
0.00082114 -0.00051106 -0.00022084
0.00309449 -0.00499871 -0.00519994
8.85149589 -0.25332237 -3.17481082
0.00059411 0.00045128 -0.00038339
-0.03018719 0.01138396 -0.04358755
7.82728017 1.52490750 -5.59841984
0.00032671 0.00018075 -0.00015368
0.00549259 0.01510725 0.00283469
0.27194118 -11.87217051 1.88857360
-0.00017156 0.00034695 -0.00052660
-0.00278872 -0.00299404 -0.00427786
-1.49676918 -10.73268807 -0.16808741
-0.00000417 -0.00042639 -0.00019612
0.00719129 -0.01527731 0.00131567
-19.37332480 -0.53795220 7.16036935
-0.00065327 0.00071198 0.00076514
-0.01483275 -0.00659400 -0.02388391
-21.43082042 0.80329203 5.69287298
-0.00005427 0.00050909 -0.00077877
-0.03004599 0.02267151 0.00015336
-5.01820029 8.51088500 -26.66702049
0.00128715 0.00054839 0.00120515
-0.02844312 -0.00769392 0.03990160
-5.17653044 7.90725765 -23.82712734
0.00104350 0.00035072 -0.00005019
0.01656199 -0.00387544 0.02905034
4.04797960 1.68365581 -1.97447088
-0.00019279 -0.00161148 0.00078625
0.01467494 -0.01142156 -0.00044795
1.43930722 0.30148572 -1.61670274
-0.00006379 0.00061817 -0.00075015
0.00831555 0.00740236 -0.00531352
14.61170645 7.59856909 5.92481402
-0.00069656 0.00004498 -0.00005036
0.00075662 0.01215779 -0.01342176
14.94018360 10.07992993 3.90021995
-0.00048373 0.00032050 0.00021891
-0.00416829 -0.04965956 0.01891846
1.75500063 -11.65979096 -13.99890275
0.00036389 0.00018765 -0.00008151
0.00927599 0.00625203 0.00168550
-13.60419556 14.75345483 22.87969089
-0.00005615 0.00014136 0.00014043
0.00135480 0.00278248 0.00198214
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02423362
0.31829888
424.11730109
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1325040562
ExchangeOperator: bisection time: 1.430 s
total exchange = -52.3610688060 (a.u.)
total exchange computation time: 2.6138718128 s
-154.1467926436
-931.34256284
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1325040562
ExchangeOperator: bisection time: 1.430 s
total exchange = -52.3604475087 (a.u.)
total exchange computation time: 2.6143019199 s
-154.1522790926
Anderson extrapolation: theta=1.3508944818 (1.3508944818)
-931.34285127
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1325040562
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3595137064 (a.u.)
total exchange computation time: 2.6143929958 s
-154.1603083564
Anderson extrapolation: theta=0.0558665110 (0.0558665110)
-931.34302632
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1325040562
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3593848049 (a.u.)
total exchange computation time: 2.6135208607 s
-154.1613353664
Anderson extrapolation: theta=2.0727542003 (2.0000000000)
-931.34303395
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1325040562
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3591026672 (a.u.)
total exchange computation time: 2.6134989262 s
-154.1635352436
Anderson extrapolation: theta=0.2761669590 (0.2761669590)
-931.34304282
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1325040562
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3590208498 (a.u.)
total exchange computation time: 2.6140940189 s
-154.1641275688
Anderson extrapolation: theta=1.6052392900 (1.6052392900)
-931.34304477
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1325040562
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3589126159 (a.u.)
total exchange computation time: 2.6132488251 s
-154.1648541378
Anderson extrapolation: theta=0.3301419575 (0.3301419575)
-931.34304685
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1325040562
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3589015477 (a.u.)
total exchange computation time: 2.6158559322 s
-154.1648691443
Anderson extrapolation: theta=1.1067032121 (1.1067032121)
-931.34304739
-66.460492 -215.565709 -245.100378
-137.023819 458.216877 -807.485033
-203.484312 242.651168 -1052.585411
1099.191294
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558866279
ExchangeOperator: pair fraction: ispin=0: 0.1325040562
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3589086919 (a.u.)
total exchange computation time: 2.5696580410 s
678.81658228
-1083.71781574
89.72715699
-389.04071218
-174.76935037
78.31197219
551.60419304
0.00000000
-931.34304772
-9.07868282 -5.32122696 9.91040448
0.00011401 0.00001491 0.00010448
0.01550648 -0.02925794 -0.00775558
-13.74595182 4.99488416 8.84065109
-0.00000069 -0.00004001 -0.00017394
-0.00463443 -0.00638986 0.01685226
-15.90954772 1.47263623 2.98724347
0.00001063 -0.00006056 -0.00009470
0.00742456 0.00415175 0.00146539
2.19736192 -19.75858825 13.54665317
-0.00037788 -0.00030956 0.00020640
-0.06292737 0.03433940 -0.02633357
10.10357322 20.81100476 0.17276556
0.00014580 -0.00006183 -0.00038587
-0.02236415 0.02810472 0.01031925
-11.29004087 12.86759489 15.21858835
0.00003969 0.00028111 -0.00001393
0.00457049 0.06328322 -0.02201496
-5.91601302 0.98121437 -12.80190466
-0.00004697 -0.00012609 0.00007003
-0.04397735 -0.02247644 -0.01071658
-8.90261879 6.82515811 -6.89098404
-0.00009613 0.00010587 -0.00021555
0.01047017 -0.01583576 -0.04471034
-7.18802267 -3.86396383 17.94999161
0.00023618 -0.00006101 -0.00006058
-0.01485254 0.03634616 0.01256949
-23.67095660 -7.66795820 -23.87850435
-0.00017843 0.00007114 -0.00047366
-0.00846003 0.00207400 -0.00160552
8.77166079 13.48051083 6.68915746
0.00036040 0.00059975 0.00007261
0.01227532 0.00416593 0.07547906
22.88117786 28.69065397 -2.84380764
-0.00034083 0.00000325 0.00030633
0.00223484 0.00913954 -0.01385169
9.62520153 0.21273081 -14.82974239
0.00033300 0.00020116 -0.00026956
0.04169823 -0.01244694 0.02873087
-9.34370073 -1.29182638 12.36008054
-0.00041158 -0.00018814 -0.00022680
0.00089477 -0.00169873 -0.05836111
-2.19339135 -25.93923662 10.49504160
0.00011522 -0.00005788 -0.00013992
-0.00103512 -0.01105785 0.00688358
-15.39319681 -4.21032375 -7.51916557
-0.00020169 -0.00016152 -0.00043748
-0.00871953 -0.01172727 -0.01824959
-19.39109105 -11.09407831 -18.31850543
-0.00005618 -0.00022944 -0.00006840
-0.01498933 -0.06971943 0.02462351
20.89321003 5.64728361 4.77916117
-0.00020131 0.00042760 0.00015565
0.00751860 -0.02830233 -0.00421254
19.85531340 -11.44433780 -13.22090417
0.00037353 0.00011799 0.00005765
0.01800516 0.00015518 -0.05713859
-3.35039888 -0.44040713 -6.50747494
-0.00003479 0.00007949 0.00007407
0.03111858 0.02329908 0.00119324
-3.52891821 -3.07237989 -17.63427139
0.00025573 0.00013920 -0.00010826
-0.00609417 0.02389544 0.01477134
14.32522815 16.48404797 -21.40951024
0.00025574 0.00017797 -0.00019624
0.03023810 0.01826941 -0.00227921
-14.55294360 17.87376147 -13.47614688
0.00003324 0.00008149 -0.00017947
0.01127588 -0.02756868 0.02689299
1.26556489 15.01570061 7.61858072
-0.00014808 0.00001244 -0.00047206
-0.02600288 0.02733332 0.00853028
-4.15038301 -9.20850584 3.81565408
0.00036365 -0.00011004 -0.00012582
0.00379482 -0.01547644 -0.00256800
2.09119954 -5.14087159 2.35103278
0.00009268 0.00034344 0.00009878
-0.01964326 0.05566299 0.03961301
9.63905975 7.24958078 4.31026196
-0.00005332 0.00001728 -0.00006842
-0.01011810 -0.01763673 0.02647633
-9.40938055 -10.42758367 -2.41230683
-0.00021595 -0.00024781 0.00030000
0.02029937 -0.04436579 -0.01525629
3.35978306 -15.56753698 -13.19835068
-0.00009261 0.00020244 -0.00027920
-0.02066689 -0.03185450 0.03585146
3.87464262 -5.72210034 -2.85844206
0.00004566 -0.00001114 0.00040353
-0.00836903 0.02909924 -0.04610753
18.34994326 1.78773737 24.39967775
-0.00007164 -0.00024985 -0.00009191
-0.01079826 -0.03182439 -0.00953763
-9.04215233 2.28242524 1.54599798
-0.00002561 -0.00028395 0.00000943
-0.00288125 -0.00619940 0.00618103
-5.70458459 12.23763054 -9.68761893
0.00022675 -0.00050789 0.00010125
-0.01333970 0.00757091 0.00284139
1.65611620 13.39023453 -7.48011419
0.00018332 0.00015078 0.00007713
0.01995190 -0.00463580 0.02493328
-11.36484903 10.00574601 -12.49368665
-0.00018116 -0.00015876 0.00017632
-0.00146331 0.04549106 0.03825974
7.82719172 3.67552644 14.70686774
-0.00003125 -0.00038571 0.00009654
-0.00599283 0.04294851 -0.03110540
-15.19268043 10.20228587 -7.36748689
0.00017838 0.00048674 0.00056144
-0.02747485 -0.00641277 -0.01871017
8.31644882 7.61997959 -3.06161492
-0.00030969 0.00003737 0.00004906
-0.01654400 -0.01085908 -0.01051191
14.11672385 -20.61371372 -26.55742488
-0.00006915 0.00014494 0.00028713
0.00510979 0.01133162 -0.02348771
5.14283697 6.63278015 1.91562893
-0.00005398 -0.00025939 0.00022242
-0.01021882 0.03450221 0.00133416
18.15214801 -5.79356875 -7.34867354
-0.00009705 0.00027872 0.00027489
0.00836853 0.01367963 -0.00257739
-1.98941652 -2.25298124 -1.89853360
-0.00016021 0.00004918 0.00014667
-0.00815149 -0.00150826 -0.02347366
2.84849106 -2.20901849 -12.01079045
0.00010633 -0.00020066 0.00002669
0.01814950 -0.01685229 -0.00759880
19.88508849 8.91631901 -5.98064688
0.00029077 -0.00045753 0.00014356
-0.02377610 0.02358237 0.01497021
-7.73771274 5.66274405 8.50152366
-0.00006462 0.00005200 -0.00026458
-0.01977278 0.06160713 -0.00648193
-1.66901586 -16.17169731 11.33554366
0.00008202 -0.00008646 -0.00001986
0.00473634 -0.00971296 0.01572169
7.65383561 -0.04390890 -4.71850241
0.00005356 0.00051734 0.00014218
0.02107024 -0.04054019 0.05658303
-1.14368431 -12.34688901 0.76829382
-0.00023979 -0.00017115 0.00018577
-0.00886002 0.02243030 -0.00273462
-20.04900783 -0.23745712 5.37743901
-0.00004144 0.00044855 0.00011592
0.04102628 -0.02030235 0.02851807
-6.33339813 8.09073955 -25.15126607
0.00014598 0.00013091 0.00008318
0.03145321 0.00634365 -0.04815164
2.26687089 1.91589325 -1.95143370
-0.00020033 -0.00008783 -0.00010995
-0.01027051 -0.00433800 0.00249392
14.52953638 8.19464423 4.14264219
-0.00014296 0.00003522 -0.00012374
0.01029221 0.04342079 -0.01155427
-8.18793012 -6.93777836 9.83382601
0.00068027 -0.00096542 -0.00049808
0.00624059 0.01164658 0.00963243
-10.41326195 -5.67833800 8.75773056
-0.00003245 0.00007957 0.00070505
-0.01688330 0.00670630 -0.01100317
-13.30840238 5.26452887 7.09634629
-0.00010518 -0.00046736 -0.00010275
0.00623971 0.00810925 -0.00859854
-13.07283685 3.33708710 9.25594288
0.00075621 0.00003856 0.00076230
-0.00668286 0.00405109 -0.00824113
-14.55558609 1.61737664 4.20537686
0.00039755 0.00035290 0.00050020
0.00275336 -0.00004945 0.00288050
-17.33242727 0.90400216 4.03613447
-0.00094182 -0.00014217 0.00084317
-0.00688107 -0.00214188 -0.00673888
2.24695166 -21.24125519 12.60108189
0.00017967 0.00144323 0.00002424
0.00847928 -0.03470404 -0.02052436
3.51550334 -19.78873770 14.63752231
0.00036929 -0.00022097 -0.00065594
0.05271471 -0.00378478 0.04353677
9.49585820 19.14382027 -0.05802002
0.00164242 -0.00083743 -0.00016001
0.00087518 -0.03659108 -0.00298660
8.66445857 21.50125098 1.16859151
-0.00018969 0.00025484 -0.00057075
0.01080366 0.00181399 -0.00851462
-10.59027540 12.11085752 16.68005916
-0.00020054 -0.00053277 0.00066567
0.01072236 -0.01426047 0.03390419
-11.13567195 14.70751518 15.72901648
-0.00016294 0.00033392 -0.00051275
-0.00672114 -0.03656608 -0.01588919
-6.11449920 0.08959961 -14.41831061
0.00022036 -0.00017059 -0.00000054
0.01043511 0.00783970 0.00909772
-7.50706337 0.29383569 -11.87303030
0.00031239 -0.00023383 0.00003302
0.03752863 0.01137390 0.00251838
-7.63409206 8.02506986 -7.44563125
0.00024085 -0.00074532 -0.00119962
-0.00504955 -0.00518573 0.00476927
-9.63853213 7.51410989 -5.44443851
0.00046345 0.00120158 -0.00044248
-0.01168130 0.01161449 0.02838111
-7.52310452 -1.97473153 17.94530616
0.00047496 -0.00104620 0.00021723
0.00615846 -0.03686120 0.00358803
-7.27560756 -4.46538005 19.72747312
-0.00055659 -0.00052343 -0.00089511
-0.00317269 0.00070403 -0.01300268
-24.28428232 -5.93627595 -23.94525505
-0.00033984 0.00031407 -0.00038387
-0.00375838 -0.00353609 0.00559025
-21.91294010 -7.37094096 -24.16858324
-0.00001094 -0.00195227 -0.00050158
0.01491473 -0.00048165 -0.00080972
8.67325274 13.38993997 4.95974852
0.00018487 0.00046818 -0.00050976
0.00442981 -0.01125800 -0.05867739
9.77574072 12.12751989 7.60660302
0.00004185 -0.00002965 0.00089402
-0.01889231 0.01040431 -0.01921178
23.75543218 27.11980774 -2.57387426
-0.00146223 -0.00114515 0.00019855
-0.00379581 -0.01172170 0.00157505
22.15528411 29.18055597 -1.26030813
-0.00072165 -0.00080538 -0.00027052
-0.00206146 0.00980228 0.00815418
11.24633961 -0.05197095 -13.83019764
-0.00021764 0.00129778 0.00053546
-0.03453584 0.01007767 -0.02443914
8.71512655 -1.28229638 -14.20348511
0.00091089 0.00003445 0.00084703
-0.00406229 -0.00287264 -0.00670184
-9.39604821 -1.09780880 14.11230911
0.00065991 0.00028603 -0.00015459
0.00175403 -0.00948875 0.02842231
-9.01369671 -3.01853598 11.53769887
0.00060410 -0.00037281 -0.00012968
-0.00796146 0.01855010 0.03176062
-3.24822186 -26.63485273 11.93960090
-0.00038615 -0.00011129 -0.00040278
0.01023712 0.01164878 -0.02151869
-3.22230119 -25.30467588 9.12484488
-0.00039295 0.00072552 -0.00005062
-0.00339854 -0.00133408 0.00744149
-15.00923878 -2.54924853 -6.84008385
0.00005787 -0.00055377 -0.00004010
0.00421024 0.01054253 0.00693507
-16.32779020 -3.93079509 -9.08581020
-0.00089923 -0.00022113 -0.00020556
0.00060205 0.00207300 0.01614706
-19.23136919 -9.45707021 -18.86030358
0.00059601 -0.00000706 0.00014618
0.01926047 0.05025855 -0.02478414
-18.21305320 -12.38106153 -18.95585778
0.00019821 0.00062395 -0.00022368
0.00041867 0.01705869 -0.00273642
22.54142910 6.08723688 4.10300937
0.00019008 -0.00051270 0.00026930
-0.01229398 0.01274328 0.00840906
19.88030901 7.01226391 5.38990585
-0.00155284 0.00014487 -0.00004581
0.00643932 0.01316157 -0.00667251
18.63244856 -11.13309011 -12.02980824
0.00045061 0.00007413 -0.00062969
-0.03954762 0.00601950 0.05562235
19.21767399 -10.26618915 -14.49873587
0.00050823 0.00087640 0.00045620
0.01058033 -0.00593621 -0.00601100
-1.64915525 0.36207327 -6.47262159
0.00023358 -0.00100911 -0.00002465
-0.01874884 -0.01219914 -0.00506221
-4.41296379 1.00119240 -6.12967688
-0.00024639 -0.00016262 0.00027529
-0.00608057 -0.00594795 0.00157894
-3.46539584 -4.15370712 -19.03527292
-0.00037456 0.00064913 0.00000525
0.00521484 -0.02360667 -0.01739836
-3.58480118 -1.43230371 -18.47668631
0.00036208 0.00071850 0.00005215
0.00248699 0.00649763 0.00493858
14.47597964 18.15266732 -20.62275805
0.00042673 0.00020858 -0.00017257
-0.01361719 -0.01883003 -0.00068443
12.65921453 15.76588264 -21.19254465
-0.00014317 0.00009192 0.00089383
-0.01296984 0.00738066 0.00425474
-13.99970370 17.34085325 -11.71800938
-0.00018040 0.00094332 -0.00032710
-0.01073952 0.01139708 -0.03602775
-14.20747762 16.29276813 -14.55933741
0.00026678 0.00096717 0.00032267
-0.00488594 0.01152501 0.01666362
1.98144909 15.86261469 6.15034392
0.00047471 -0.00071485 -0.00068360
-0.00663538 -0.00321283 0.00264432
-0.23240884 16.10943233 8.17875616
-0.00132023 -0.00001924 0.00051469
0.03343370 -0.02463475 -0.00958950
-4.56280855 -7.84800144 2.66409537
-0.00016689 -0.00066337 0.00033243
-0.00192064 -0.00879935 -0.00030920
-3.23287252 -10.52228427 2.81371391
-0.00053703 0.00068104 -0.00038131
-0.00998394 0.01678215 0.00746295
1.54622457 -3.44963732 3.23204425
0.00020814 -0.00049640 0.00004922
0.01172850 -0.05033774 -0.01982250
3.32732800 -4.45674489 1.22741313
-0.00047267 -0.00170864 0.00042474
0.00929594 -0.00644957 -0.01206528
8.35378444 7.22702836 3.07478605
0.00003540 -0.00082015 -0.00148480
-0.02004449 0.00333572 -0.01631906
11.15122210 7.88963767 3.61772307
0.00031841 0.00001113 0.00025117
0.03013957 0.00829921 -0.00726334
-8.39609393 -12.11915701 -2.16444180
-0.00065201 -0.00079869 -0.00034828
-0.01110310 0.04175910 -0.00514690
-10.14925364 -9.82462431 -0.89756080
-0.00023069 0.00060547 0.00056637
-0.01155532 0.00306350 0.01358816
4.70887030 -16.76816062 -13.50252530
-0.00070173 -0.00101383 0.00029667
0.01197031 0.01039953 -0.00233476
2.47082933 -16.45638326 -11.74477541
-0.00020527 -0.00110220 0.00053537
0.01130090 0.02347803 -0.03037916
4.54174359 -4.78012520 -4.37648899
0.00041046 -0.00051979 0.00064958
-0.01620116 -0.01233341 0.02032729
5.42879757 -6.37710766 -2.29754080
0.00045698 0.00065083 -0.00010405
0.02722729 -0.01989682 0.02164153
16.52938442 2.12039675 24.51874163
-0.00014078 -0.00073516 -0.00048168
0.00682496 0.00898608 -0.00358599
19.34915350 3.22620066 24.80916750
-0.00033435 0.00011293 -0.00080207
0.00061802 0.01938806 0.01106744
-9.95321068 0.66529081 1.41708980
-0.00126258 0.00022647 0.00037904
0.00539166 0.00543191 -0.00418739
-10.12885084 3.29135444 2.61610780
-0.00041228 -0.00041357 -0.00051933
0.00484435 0.00599235 -0.00265575
-5.16032654 13.76388212 -8.71422410
-0.00013721 -0.00018344 -0.00011490
0.00045575 -0.01366872 -0.00273973
-7.52911645 12.09293779 -9.47710049
0.00060199 0.00004706 -0.00061132
0.00808509 0.00325779 0.00207500
1.17278659 11.81219832 -6.64970411
-0.00079050 0.00096684 0.00065510
-0.00628234 0.01090235 -0.00522732
2.70527456 14.18317334 -6.12910351
0.00048672 -0.00161957 0.00009068
-0.01371470 -0.00697291 -0.01797377
-11.06641319 8.31303555 -12.78592637
-0.00077705 0.00015084 -0.00017495
0.00535799 -0.05195230 -0.02087526
-11.73954655 9.96252141 -10.67305084
-0.00039028 0.00045114 -0.00027240
-0.00174043 0.00870067 -0.01588683
7.08473347 5.25986776 13.99804950
0.00006583 0.00006521 0.00064332
0.00805675 -0.02348673 0.01227445
9.58054664 3.90427731 14.26479434
-0.00015508 0.00111044 -0.00096586
0.00318605 -0.00068407 0.00147640
-14.11776134 11.65881839 -7.77966859
0.00007994 -0.00002866 -0.00016016
-0.00169838 -0.00334434 0.01137718
-16.88295633 10.50923657 -8.07093178
0.00022769 -0.00019225 -0.00013123
0.01676130 0.00223254 0.00653672
9.38683359 9.03423913 -2.74011287
0.00008635 -0.00127837 0.00045427
0.00471301 0.01334480 0.00377894
7.40453779 8.09564735 -4.62710700
-0.00113873 -0.00035212 -0.00085562
0.01253952 0.00233917 0.01726824
14.18288449 -19.00787023 -27.49856283
-0.00082434 0.00071087 -0.00017212
-0.00328723 -0.00883476 0.00475538
13.96068998 -20.06392167 -24.85173473
0.00086429 0.00042878 -0.00022541
-0.00324024 0.00450098 0.01961285
5.46269784 4.88416478 2.20609132
0.00115155 -0.00062950 0.00069995
0.00426679 -0.02361619 -0.00539833
5.50605500 7.14135870 0.19388865
0.00055556 0.00056782 -0.00036001
0.00321713 -0.01123975 -0.00362537
19.70597020 -4.99865086 -6.76931734
-0.00085925 -0.00010996 0.00017244
-0.00285304 -0.01503101 -0.00405753
16.88334652 -4.89416217 -6.28959313
-0.00016656 -0.00043263 -0.00004650
-0.00312408 -0.00563786 0.00111771
-2.50696724 -0.76553356 -1.00340660
0.00032231 -0.00091885 0.00062522
-0.00550389 0.00639504 0.01069154
-2.86022271 -2.01777404 -3.57817402
-0.00036980 -0.00094490 0.00121072
0.01269970 0.00112990 0.02055781
3.96132834 -3.64569406 -12.61564429
-0.00017178 0.00031114 0.00004384
-0.02159541 0.02501957 0.00914311
1.11825383 -2.85669826 -11.80156904
-0.00002796 0.00012344 0.00002625
0.00301185 -0.00376770 -0.00132311
19.94499035 8.74127421 -7.74469188
0.00016175 -0.00024676 0.00018965
0.00104046 -0.00843650 -0.02713801
21.03864527 7.76033291 -5.21638696
-0.00038739 -0.00010853 -0.00003701
0.01859322 -0.01775273 0.01215154
-7.41539803 3.95815770 8.42124315
0.00000016 -0.00072964 -0.00066169
0.01601172 -0.06173881 -0.00114730
-6.73518418 6.23018596 9.86749863
-0.00009024 -0.00008389 -0.00051067
0.00732947 0.00565142 0.01455476
-1.37331837 -17.97721748 11.60690294
0.00081832 -0.00001084 -0.00003490
-0.00614308 0.01410239 -0.00469145
-2.56614678 -15.92712628 9.78666121
0.00083181 -0.00053088 -0.00024593
0.00212835 -0.00470588 -0.00708072
8.85948244 -0.24620436 -3.18189735
0.00047102 0.00049741 -0.00055984
-0.03006264 0.01119662 -0.04278289
7.83234916 1.52808169 -5.60063812
0.00034955 0.00024340 -0.00014265
0.00568757 0.01555925 0.00256129
0.26928226 -11.86705802 1.88054348
-0.00018057 0.00033422 -0.00054129
-0.00162089 -0.00323744 -0.00291128
-1.49661134 -10.73955204 -0.17098894
0.00002395 -0.00048831 -0.00019117
0.00657191 -0.01503513 0.00110949
-19.38357842 -0.52747455 7.17111459
-0.00071431 0.00068494 0.00066474
-0.01504460 -0.00664389 -0.02526249
-21.43255520 0.81162315 5.68119619
-0.00017769 0.00060250 -0.00077842
-0.03036795 0.02305047 0.00001688
-4.99976460 8.51887509 -26.64772051
0.00116800 0.00051707 0.00136285
-0.02988135 -0.00763944 0.03729458
-5.16037036 7.91239975 -23.82699007
0.00110296 0.00033556 0.00006348
0.01254269 -0.00354591 0.02659511
4.04553750 1.65913365 -1.96269088
-0.00013631 -0.00165507 0.00078401
0.01297246 -0.00991737 -0.00064714
1.43860520 0.31098504 -1.62811778
-0.00003722 0.00063825 -0.00076947
0.00468834 0.00242673 -0.00414571
14.60128121 7.59961637 5.92364730
-0.00069321 0.00009432 -0.00010508
0.00088326 0.01199464 -0.01336333
14.93279984 10.08321566 3.90408325
-0.00050074 0.00011666 0.00029566
-0.00415587 -0.05011843 0.01865162
1.76048387 -11.65695948 -14.00012082
0.00036718 0.00018988 -0.00008092
0.00909868 0.00624597 0.00158866
-13.60503540 14.75558006 22.88180075
-0.00005580 0.00014201 0.00014089
0.00160711 0.00279910 0.00203273
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02445472
0.31859300
424.50920434
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3619833734 (a.u.)
total exchange computation time: 2.5835459232 s
-154.1476874253
-931.34486537
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3613852845 (a.u.)
total exchange computation time: 2.5821559429 s
-154.1531235987
Anderson extrapolation: theta=1.3468580668 (1.3468580668)
-931.34515246
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.430 s
total exchange = -52.3605066723 (a.u.)
total exchange computation time: 2.5869529247 s
-154.1609490380
Anderson extrapolation: theta=0.0536765363 (0.0536765363)
-931.34532543
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3603998832 (a.u.)
total exchange computation time: 2.5835809708 s
-154.1618549817
Anderson extrapolation: theta=1.9842720307 (1.9842720307)
-931.34533249
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.430 s
total exchange = -52.3601709654 (a.u.)
total exchange computation time: 2.5836861134 s
-154.1637591743
Anderson extrapolation: theta=0.2288579144 (0.2288579144)
-931.34534038
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3601165814 (a.u.)
total exchange computation time: 2.5859079361 s
-154.1641766943
Anderson extrapolation: theta=1.8655529221 (1.8655529221)
-931.34534201
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3600355005 (a.u.)
total exchange computation time: 2.5829291344 s
-154.1647527611
Anderson extrapolation: theta=0.2788023073 (0.2788023073)
-931.34534411
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3600330940 (a.u.)
total exchange computation time: 2.5830669403 s
-154.1647200153
Anderson extrapolation: theta=1.3040639134 (1.3040639134)
-931.34534462
-66.490819 -215.599469 -245.084774
-137.023756 458.179326 -807.512710
-203.514575 242.579856 -1052.597484
1099.192719
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1333693889
ExchangeOperator: bisection time: 1.430 s
total exchange = -52.3600442466 (a.u.)
total exchange computation time: 2.5490400791 s
678.83142062
-1083.74391953
89.72381953
-389.02446238
-174.77215905
78.32538440
551.60419304
0.00000000
-931.34534505
-9.07691283 -5.32111615 9.91194178
0.00012347 -0.00000179 0.00010077
0.02126501 -0.03570433 -0.00666991
-13.74598008 4.99425942 8.83810695
-0.00000286 -0.00004397 -0.00016470
-0.00380207 -0.00901896 0.01910168
-15.90935963 1.47174388 2.98582856
0.00001395 -0.00005883 -0.00009198
0.00547086 0.00256937 0.00914527
2.19145102 -19.76309925 13.54964758
-0.00040990 -0.00028933 0.00019516
-0.06158827 0.04433563 -0.01737806
10.10567390 20.81018566 0.16701739
0.00013402 -0.00004764 -0.00038052
-0.02342775 0.02708091 0.01046867
-11.28942796 12.87205557 15.21829441
0.00004267 0.00031246 -0.00002402
0.00704721 0.05863220 -0.01718656
-5.91688725 0.97923633 -12.80089558
-0.00006919 -0.00013752 0.00006428
-0.04243420 -0.02195732 -0.01164332
-8.90402042 6.82668506 -6.89438973
-0.00009096 0.00009765 -0.00023826
0.00964506 -0.01611527 -0.04359233
-7.18453732 -3.86473871 17.94913145
0.00022878 -0.00004350 -0.00005493
-0.01389211 0.03172378 0.00937760
-23.67366563 -7.66688312 -23.88561543
-0.00018337 0.00007224 -0.00047438
-0.01077221 0.00222364 -0.00120433
8.77711413 13.48952313 6.69053775
0.00036698 0.00060126 0.00010997
0.01330444 0.00171560 0.06979499
22.87607396 28.69073796 -2.83926607
-0.00033883 0.00000673 0.00029846
0.00555760 0.00439512 -0.01677043
9.63035744 0.21570016 -14.83367504
0.00035394 0.00019447 -0.00025459
0.03970154 -0.01354774 0.02951031
-9.34987092 -1.29465498 12.35645343
-0.00041117 -0.00018917 -0.00025647
0.00066946 -0.00231100 -0.05700611
-2.19166698 -25.94014753 10.49296943
0.00011393 -0.00006333 -0.00013706
-0.00400754 -0.01011035 0.00421408
-15.39625582 -4.21279185 -7.52579812
-0.00020628 -0.00016779 -0.00044700
-0.00910536 -0.01262642 -0.01877208
-19.39199158 -11.09778882 -18.31943650
-0.00006410 -0.00026376 -0.00005604
-0.01580382 -0.06375672 0.02344196
20.89021935 5.65358848 4.78147963
-0.00019810 0.00041338 0.00015382
0.00497846 -0.02700588 -0.00291126
19.86098581 -11.44256732 -13.22025976
0.00038334 0.00011823 0.00002746
0.02014192 0.00078438 -0.06026979
-3.35080076 -0.43912494 -6.50635927
-0.00001922 0.00009094 0.00007460
0.02943277 0.02123548 0.00085001
-3.52510579 -3.07019974 -17.63583827
0.00025258 0.00015273 -0.00010026
-0.00614328 0.02870818 0.01632785
14.32918081 16.48678801 -21.41246266
0.00027018 0.00018693 -0.00019726
0.02593751 0.01657481 -0.00166204
-14.55240146 17.87487748 -13.47873522
0.00003868 0.00006870 -0.00016558
0.00985349 -0.02215588 0.02712493
1.26324341 15.01599258 7.61153271
-0.00016232 0.00002679 -0.00046711
-0.02939185 0.02850358 0.01070762
-4.14491364 -9.21021607 3.81375692
0.00036520 -0.00011782 -0.00012589
0.00222544 -0.01480535 0.00229173
2.09251398 -5.13550526 2.35266723
0.00008079 0.00036995 0.00012064
-0.02658504 0.04742951 0.04539274
9.63822097 7.24977200 4.30933775
-0.00005961 0.00000840 -0.00005650
-0.01437334 -0.01689692 0.01986959
-9.41254144 -10.43147194 -2.40786571
-0.00020606 -0.00027026 0.00029288
0.01815274 -0.04292529 -0.01242644
3.35831422 -15.56462323 -13.20240038
-0.00010348 0.00018460 -0.00025951
-0.02160912 -0.03754412 0.04070272
3.87529525 -5.72215524 -2.85256697
0.00004157 0.00000344 0.00038027
-0.00754269 0.02760155 -0.04434118
18.34882705 1.78386693 24.39826232
-0.00007699 -0.00026621 -0.00009678
-0.01002920 -0.03180259 -0.00941522
-9.04254753 2.27814207 1.54616328
-0.00002732 -0.00028746 0.00001258
-0.00379613 -0.00744931 0.00607391
-5.70123480 12.23004138 -9.68608916
0.00022082 -0.00050372 0.00010266
-0.00972116 0.00863633 0.00262279
1.65894299 13.39247832 -7.47886106
0.00019318 0.00014809 0.00008948
0.01839671 -0.00583302 0.02307572
-11.36757200 10.00354007 -12.49089428
-0.00018183 -0.00013463 0.00019526
-0.00115213 0.04836548 0.03538814
7.82669986 3.66990647 14.70819585
-0.00003362 -0.00036301 0.00008004
-0.00321516 0.04533425 -0.03305518
-15.19011064 10.20956222 -7.35913753
0.00016375 0.00048294 0.00055179
-0.02943464 -0.00837473 -0.01880165
8.31173969 7.62049820 -3.06091960
-0.00031999 0.00003063 0.00004223
-0.02353167 -0.01532861 -0.01605818
14.11570625 -20.61149587 -26.55320853
-0.00006644 0.00015151 0.00027351
0.00543347 0.01421528 -0.02946952
5.14198789 6.62902235 1.91897033
-0.00005868 -0.00024245 0.00022185
-0.00806194 0.03138119 -0.00352290
18.15072458 -5.78933523 -7.34456013
-0.00009372 0.00028456 0.00027256
0.00459017 0.00903880 -0.00649980
-1.99185118 -2.25224940 -1.89642406
-0.00016337 0.00004691 0.00013518
-0.00410138 -0.00729956 -0.02121705
2.85015602 -2.21209340 -12.01041946
0.00011513 -0.00020858 0.00002306
0.01606649 -0.01392693 -0.00651837
19.88935832 8.90954702 -5.97843574
0.00027768 -0.00044443 0.00015071
-0.02712057 0.02735294 0.01284755
-7.73875838 5.66376171 8.49753002
-0.00007471 0.00008114 -0.00026843
-0.01944247 0.05168700 -0.00851783
-1.66776726 -16.17303163 11.33530641
0.00008464 -0.00009156 -0.00001138
0.00545384 -0.01012036 0.01725102
7.65472033 -0.03630521 -4.71615149
0.00006416 0.00049639 0.00017095
0.02013863 -0.04091446 0.05531013
-1.14731532 -12.34936975 0.77106981
-0.00024455 -0.00015974 0.00018407
-0.00963854 0.02194254 -0.00387365
-20.04947113 -0.23080720 5.37928778
-0.00002054 0.00043829 0.00013093
0.04024841 -0.01958347 0.02984343
-6.33108704 8.09272763 -25.15020404
0.00016346 0.00013400 0.00005985
0.03650428 0.00569382 -0.04257638
2.26382637 1.91455907 -1.95307331
-0.00020401 -0.00008905 -0.00010892
-0.00404745 -0.00042138 0.00150743
14.52743161 8.19534002 4.14074155
-0.00013772 0.00005746 -0.00012964
0.01010489 0.04304426 -0.01140055
-8.17753489 -6.95190274 9.82665003
0.00069750 -0.00090379 -0.00045837
0.00219456 0.01852197 0.00980306
-10.41426600 -5.67693899 8.76796916
-0.00010472 0.00010573 0.00065727
-0.01849654 0.00610111 -0.01238556
-13.30978886 5.25776698 7.09454153
-0.00007907 -0.00043428 -0.00013998
0.00654051 0.00808376 -0.00962501
-13.06169844 3.33778962 9.26712489
0.00072641 0.00006090 0.00072634
-0.00790379 0.00688670 -0.00936241
-14.54953851 1.62266869 4.21296816
0.00040033 0.00035120 0.00050489
-0.00139005 -0.00078412 -0.00058540
-17.34676549 0.90180404 4.04857557
-0.00095772 -0.00014625 0.00080687
-0.00089831 0.00014191 -0.01103082
2.24990654 -21.22067018 12.60081659
0.00021451 0.00127991 -0.00007469
0.00857569 -0.04523969 -0.02790228
3.52265798 -19.79216830 14.62901727
0.00058185 -0.00023526 -0.00048142
0.05133869 -0.00320718 0.04189153
9.52052128 19.13013752 -0.06051165
0.00164601 -0.00098092 -0.00017011
0.00088443 -0.03364619 -0.00195840
8.66194431 21.50512917 1.15976932
-0.00014417 0.00025854 -0.00060748
0.01147813 -0.00000529 -0.00946418
-10.59295500 12.10242900 16.69108318
-0.00016257 -0.00058231 0.00079252
0.00786538 -0.00999160 0.02818668
-11.13832207 14.71140349 15.72083838
-0.00018946 0.00018543 -0.00057561
-0.00625986 -0.03612052 -0.01488152
-6.11087409 0.08728100 -14.41803990
0.00026255 -0.00013853 0.00003702
0.01021676 0.00785530 0.00928647
-7.50122758 0.29067671 -11.87245784
0.00046266 -0.00018852 0.00004431
0.03602957 0.01080825 0.00300664
-7.63063401 8.01373113 -7.46347946
0.00022090 -0.00076579 -0.00117988
-0.00471600 -0.00483259 0.00489466
-9.63193838 7.53248947 -5.45020599
0.00041697 0.00124866 -0.00032844
-0.01106709 0.01143483 0.02743883
-7.51579143 -1.99155404 17.94867452
0.00049771 -0.00118484 0.00023166
0.00497750 -0.03100254 0.00347580
-7.28405357 -4.47320994 19.71364808
-0.00056963 -0.00052274 -0.00094054
-0.00321268 -0.00036571 -0.00923884
-24.28949506 -5.93167321 -23.95084175
-0.00035008 0.00029577 -0.00036118
-0.00125713 -0.00542566 0.00551687
-21.91264722 -7.40023972 -24.17613177
0.00004984 -0.00195075 -0.00050536
0.01484159 0.00122190 -0.00104198
8.67616153 13.39661771 4.95030401
0.00020399 0.00042238 -0.00073382
0.00493022 -0.01116182 -0.05099903
9.77578961 12.12739397 7.61942454
-0.00003806 0.00001667 0.00081146
-0.02022464 0.01227116 -0.02119990
23.73338245 27.10227132 -2.57084774
-0.00147978 -0.00118720 0.00020359
-0.00479595 -0.00886482 0.00089215
22.14439623 29.16877568 -1.26411604
-0.00073363 -0.00076269 -0.00022928
-0.00380184 0.01109185 0.01203195
11.24201675 -0.03219539 -13.82291466
-0.00035466 0.00133839 0.00043638
-0.03253521 0.00979988 -0.02406111
8.72866547 -1.28186769 -14.19098498
0.00089434 0.00002497 0.00081712
-0.00404067 -0.00176738 -0.00794130
-9.38609582 -1.09380915 14.11086113
0.00066803 0.00024718 -0.00004157
0.00222343 -0.00952573 0.02690623
-9.00487911 -3.02355974 11.53672694
0.00057079 -0.00029526 0.00000056
-0.00834795 0.01941049 0.03199407
-3.25370035 -26.63616512 11.93289973
-0.00034294 -0.00006341 -0.00049007
0.01091376 0.01178704 -0.02120967
-3.22829958 -25.29383398 9.12431361
-0.00040194 0.00071757 -0.00001524
-0.00100197 -0.00255551 0.00987600
-15.00824168 -2.55723198 -6.84047278
0.00007475 -0.00050885 -0.00001219
0.00405324 0.01144578 0.00672648
-16.34126014 -3.93404851 -9.08839883
-0.00089557 -0.00021208 -0.00013770
0.00118706 0.00235815 0.01706964
-19.22183885 -9.45563597 -18.85887041
0.00067344 0.00019149 0.00004822
0.01864262 0.04693104 -0.02316722
-18.21006727 -12.37117954 -18.95929689
0.00020289 0.00068865 -0.00023575
0.00187301 0.01461011 -0.00317121
22.54390358 6.07993688 4.10730652
0.00013826 -0.00045822 0.00030439
-0.01307026 0.01392722 0.00876842
19.85721376 7.01484031 5.38901420
-0.00151989 0.00019363 -0.00007668
0.00968766 0.01070678 -0.00843646
18.63799579 -11.13179374 -12.03754917
0.00028334 0.00009898 -0.00039614
-0.04232825 0.00614355 0.05870247
19.22562160 -10.25322511 -14.49207711
0.00055303 0.00085034 0.00043186
0.01134956 -0.00681686 -0.00590379
-1.64622608 0.34656285 -6.47314651
0.00015829 -0.00105577 -0.00004477
-0.01810669 -0.01064307 -0.00478648
-4.41684599 0.99857084 -6.12549909
-0.00026961 -0.00018584 0.00028183
-0.00528624 -0.00541698 0.00162176
-3.47085452 -4.14469349 -19.03572732
-0.00035341 0.00054840 -0.00007155
0.00514157 -0.02570445 -0.02019325
-3.57929380 -1.42132709 -18.47575279
0.00037235 0.00073934 0.00007486
0.00253985 0.00370402 0.00618091
14.48196335 18.15521903 -20.62536757
0.00037154 0.00013194 -0.00017543
-0.01339828 -0.01868797 -0.00071719
12.65666953 15.76748768 -21.17900688
-0.00018829 0.00012498 0.00090995
-0.00911863 0.00880148 0.00364059
-14.00273885 17.35535233 -11.72401988
-0.00022261 0.00098732 -0.00046911
-0.00992269 0.01013943 -0.03348877
-14.20362566 16.30762885 -14.55398680
0.00024807 0.00100692 0.00038559
-0.00427050 0.00793237 0.01413981
1.98836636 15.85179343 6.14017092
0.00044476 -0.00072639 -0.00067123
-0.00802384 -0.00243290 0.00341142
-0.25118784 16.10838891 8.18618263
-0.00117405 -0.00012354 0.00046990
0.03812215 -0.02642074 -0.01233373
-4.56537069 -7.85822167 2.66907239
-0.00017711 -0.00069145 0.00032602
-0.00308624 -0.00494519 -0.00283113
-3.24123397 -10.51155447 2.80822297
-0.00057215 0.00074121 -0.00035509
-0.00720702 0.01267499 0.00537180
1.54970611 -3.45862579 3.23217509
0.00025523 -0.00069528 -0.00003018
0.01132109 -0.04701542 -0.01904105
3.32052284 -4.48257207 1.23341457
-0.00041951 -0.00172510 0.00036166
0.01672651 -0.00161126 -0.01881525
8.35370114 7.21482831 3.05201403
-0.00003433 -0.00080612 -0.00153931
-0.01408723 0.00353276 -0.01036338
11.15692179 7.89005890 3.62126812
0.00043784 0.00004324 0.00022307
0.02832247 0.00741908 -0.00649407
-8.40621430 -12.12985770 -2.16982368
-0.00069676 -0.00062672 -0.00036696
-0.01080277 0.04242068 -0.00399595
-10.15306809 -9.81544837 -0.88864881
-0.00027371 0.00061362 0.00061377
-0.00950363 0.00092317 0.00961443
4.69871120 -16.78304936 -13.49814683
-0.00065439 -0.00096751 0.00028563
0.01120021 0.01227294 -0.00306946
2.46809663 -16.47219676 -11.73767582
-0.00015536 -0.00099833 0.00040277
0.01312720 0.02736627 -0.03452795
4.54740407 -4.78829993 -4.36612244
0.00034342 -0.00056669 0.00072772
-0.01661561 -0.01062741 0.01792231
5.43648659 -6.36795491 -2.29843841
0.00056726 0.00056887 -0.00001412
0.02675782 -0.02022203 0.02237804
16.52748190 2.10964466 24.51140661
-0.00011392 -0.00069785 -0.00049608
0.00632325 0.00928165 -0.00346324
19.34415716 3.22848870 24.79747563
-0.00033232 0.00019182 -0.00075692
0.00037491 0.01922753 0.01103059
-9.97198422 0.66885439 1.42264714
-0.00123778 0.00024787 0.00036016
0.00674800 0.00504237 -0.00505873
-10.13488666 3.28533446 2.60823648
-0.00039268 -0.00038569 -0.00052833
0.00475398 0.00765915 -0.00174786
-5.16237070 13.76071173 -8.71603160
-0.00013480 -0.00023983 -0.00012628
0.00072449 -0.01393647 -0.00283034
-7.51983887 12.09374355 -9.48620665
0.00062715 0.00005906 -0.00060189
0.00423170 0.00261478 0.00254051
1.16073660 11.82703502 -6.64003785
-0.00081821 0.00100728 0.00063296
-0.00728193 0.00889046 -0.00560675
2.71215506 14.15866615 -6.12829413
0.00043573 -0.00164148 0.00002151
-0.01124486 -0.00375243 -0.01588458
-11.07790480 8.31370618 -12.78919028
-0.00075521 -0.00006577 -0.00026039
0.00533427 -0.05407894 -0.02094926
-11.74545405 9.96955506 -10.67762371
-0.00039805 0.00048546 -0.00033147
-0.00206175 0.00810356 -0.01302575
7.08596776 5.26012627 14.00807547
0.00009658 -0.00003153 0.00069397
0.00699491 -0.02386844 0.01251812
9.57831808 3.92091295 14.25035166
-0.00014569 0.00110471 -0.00095749
0.00141056 -0.00211982 0.00262388
-14.11661425 11.65828603 -7.78172228
0.00007566 -0.00003860 -0.00011436
-0.00039706 -0.00152098 0.01103870
-16.87902744 10.50642121 -8.07269989
0.00029692 -0.00018303 -0.00010405
0.01713068 0.00228352 0.00676469
9.38827326 9.01547256 -2.73318307
0.00011138 -0.00121392 0.00046971
0.00754194 0.01820204 0.00377953
7.38784116 8.09043724 -4.63941207
-0.00107888 -0.00034305 -0.00077307
0.01675521 0.00210099 0.02313606
14.17041873 -18.99747791 -27.50099886
-0.00083770 0.00066701 -0.00014835
-0.00325267 -0.01263430 0.00687654
13.97355501 -20.05735210 -24.85451488
0.00085052 0.00044901 -0.00013787
-0.00349858 0.00540286 0.02324078
5.48010189 4.87399859 2.21642512
0.00116707 -0.00071554 0.00067494
0.00332642 -0.01850105 -0.00684241
5.51448705 7.14953154 0.18837736
0.00056613 0.00051687 -0.00036274
0.00195609 -0.01370157 0.00228903
19.69299406 -5.00076092 -6.76685514
-0.00085963 -0.00016540 0.00015982
0.00266561 -0.01210472 -0.00211807
16.88075244 -4.90082440 -6.29025639
-0.00018246 -0.00045286 -0.00003932
-0.00466211 -0.00426456 0.00239756
-2.50230130 -0.77912033 -0.99370070
0.00029633 -0.00088368 0.00067329
-0.00720923 0.01082117 0.01283783
-2.86538063 -2.03191297 -3.55938326
-0.00032279 -0.00093760 0.00128562
0.01031473 0.00244608 0.01610478
3.95808987 -3.64026031 -12.61470644
-0.00025664 0.00040788 0.00007870
-0.01994258 0.02233587 0.00792096
1.11792670 -2.85496208 -11.80121582
-0.00001493 0.00010773 0.00002080
0.00336636 -0.00392156 -0.00134710
19.94744848 8.73731434 -7.74267878
0.00016581 -0.00028128 0.00007882
0.00094497 -0.00846376 -0.02711354
21.03340417 7.75816096 -5.21656971
-0.00030406 -0.00018823 0.00001694
0.02219709 -0.02126310 0.01425825
-7.41490499 3.94532117 8.41128263
0.00006256 -0.00096247 -0.00066487
0.01453457 -0.05223230 -0.00041081
-6.73631317 6.22910075 9.86028465
-0.00005774 -0.00006022 -0.00044824
0.00857767 0.00593880 0.01600495
-1.36123182 -17.97694790 11.60623560
0.00079285 0.00004690 -0.00005374
-0.00632299 0.01415889 -0.00452957
-2.55360437 -15.93523375 9.78275526
0.00083878 -0.00054942 -0.00027821
0.00128036 -0.00436686 -0.00871785
8.86562657 -0.23840016 -3.19160587
0.00034985 0.00054241 -0.00073121
-0.02925307 0.01083360 -0.04110471
7.83776672 1.53220945 -5.60269943
0.00037293 0.00030671 -0.00013222
0.00575826 0.01543048 0.00254406
0.26652400 -11.86214394 1.87233493
-0.00018466 0.00032058 -0.00055029
-0.00037989 -0.00343975 -0.00149314
-1.49605074 -10.74733745 -0.17382247
0.00004934 -0.00054859 -0.00018744
0.00585737 -0.01446887 0.00071627
-19.39475406 -0.51740409 7.18031159
-0.00077571 0.00065765 0.00055985
-0.01501307 -0.00671388 -0.02608270
-21.43615112 0.82136694 5.66952043
-0.00029954 0.00069530 -0.00077917
-0.02928035 0.02237883 -0.00038637
-4.98316023 8.52639699 -26.62613489
0.00104369 0.00048616 0.00150901
-0.03096972 -0.00748781 0.03425193
-5.14344159 7.91732452 -23.82522287
0.00114459 0.00032188 0.00016565
0.00783406 -0.00315123 0.02341441
4.04389044 1.63400369 -1.95095054
-0.00008814 -0.00169215 0.00078090
0.01060697 -0.00823334 -0.00087362
1.43819052 0.32063309 -1.63978688
-0.00002609 0.00063722 -0.00078400
0.00076090 -0.00292829 -0.00296385
14.59091011 7.60139877 5.92166159
-0.00068935 0.00014262 -0.00015892
0.00100722 0.01164787 -0.01299233
14.92516140 10.08342981 3.90908963
-0.00051726 -0.00008676 0.00037088
-0.00393264 -0.04945893 0.01817224
1.76601597 -11.65409446 -14.00133037
0.00037041 0.00019212 -0.00008037
0.00893967 0.00623608 0.00150915
-13.60586964 14.75771504 22.88391769
-0.00005540 0.00014266 0.00014137
0.00186379 0.00279358 0.00208114
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02460837
0.32073668
427.36554833
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1330665224
ExchangeOperator: bisection time: 1.519 s
total exchange = -52.3621148786 (a.u.)
total exchange computation time: 2.5854120255 s
-154.1440426680
-931.34824569
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1330665224
ExchangeOperator: bisection time: 1.518 s
total exchange = -52.3615543676 (a.u.)
total exchange computation time: 2.5852580070 s
-154.1493232790
Anderson extrapolation: theta=1.3498240662 (1.3498240662)
-931.34852832
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1330665224
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.3607374922 (a.u.)
total exchange computation time: 2.5624778271 s
-154.1569052014
Anderson extrapolation: theta=0.0544342249 (0.0544342249)
-931.34869955
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1330665224
ExchangeOperator: bisection time: 1.520 s
total exchange = -52.3606455229 (a.u.)
total exchange computation time: 2.5638258457 s
-154.1577492183
Anderson extrapolation: theta=2.0051997486 (2.0000000000)
-931.34870681
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1330665224
ExchangeOperator: bisection time: 1.521 s
total exchange = -52.3604539535 (a.u.)
total exchange computation time: 2.5642838478 s
-154.1594915042
Anderson extrapolation: theta=0.2358002753 (0.2358002753)
-931.34871520
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1330665224
ExchangeOperator: bisection time: 1.518 s
total exchange = -52.3604147285 (a.u.)
total exchange computation time: 2.5626640320 s
-154.1598380194
Anderson extrapolation: theta=1.8429988439 (1.8429988439)
-931.34871699
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1330665224
ExchangeOperator: bisection time: 1.519 s
total exchange = -52.3603670548 (a.u.)
total exchange computation time: 2.5631990433 s
-154.1602465485
Anderson extrapolation: theta=0.2821382905 (0.2821382905)
-931.34871930
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1330665224
ExchangeOperator: bisection time: 1.520 s
total exchange = -52.3603766836 (a.u.)
total exchange computation time: 2.5646800995 s
-154.1601490143
Anderson extrapolation: theta=1.2792370831 (1.2792370831)
-931.34871986
-66.525322 -215.630898 -245.065951
-137.022856 458.139603 -807.540583
-203.548179 242.508704 -1052.606534
1099.191907
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1330665224
ExchangeOperator: bisection time: 1.519 s
total exchange = -52.3604043013 (a.u.)
total exchange computation time: 2.5849568844 s
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1330665224
ExchangeOperator: bisection time: 1.521 s
total exchange = -52.3604043013 (a.u.)
total exchange computation time: 2.5866079330 s
[qbox] save md179.xml
SampleWriter: write time: 1.130 s
SampleWriter: file size: 1595163516
SampleWriter: aggregate write rate: 1345.91 MB/s
[qbox] End of command stream
4789.86
2013-11-25T10:48:48Z