============================
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
Q1H-I7-J01.mira.i2b
2013-11-24T23:20:21Z
Task 0 of 4096 (0,0,0,0,0,0) R1F-M0-N00-J00
Task 1 of 4096 (0,0,0,0,0,1) R1F-M0-N00-J00
Task 2 of 4096 (0,0,0,0,0,2) R1F-M0-N00-J00
Task 3 of 4096 (0,0,0,0,0,3) R1F-M0-N00-J00
Task 4 of 4096 (0,0,0,0,0,4) R1F-M0-N00-J00
Task 5 of 4096 (0,0,0,0,0,5) R1F-M0-N00-J00
Task 6 of 4096 (0,0,0,0,0,6) R1F-M0-N00-J00
Task 7 of 4096 (0,0,0,0,0,7) R1F-M0-N00-J00
Task 8 of 4096 (0,0,0,0,0,8) R1F-M0-N00-J00
Task 9 of 4096 (0,0,0,0,0,9) R1F-M0-N00-J00
Task 10 of 4096 (0,0,0,0,0,10) R1F-M0-N00-J00
Task 11 of 4096 (0,0,0,0,0,11) R1F-M0-N00-J00
Task 12 of 4096 (0,0,0,0,0,12) R1F-M0-N00-J00
Task 13 of 4096 (0,0,0,0,0,13) R1F-M0-N00-J00
Task 14 of 4096 (0,0,0,0,0,14) R1F-M0-N00-J00
Task 15 of 4096 (0,0,0,0,0,15) R1F-M0-N00-J00
Task 16 of 4096 (0,0,0,0,1,0) R1F-M0-N00-J07
Task 17 of 4096 (0,0,0,0,1,1) R1F-M0-N00-J07
Task 18 of 4096 (0,0,0,0,1,2) R1F-M0-N00-J07
Task 19 of 4096 (0,0,0,0,1,3) R1F-M0-N00-J07
Task 20 of 4096 (0,0,0,0,1,4) R1F-M0-N00-J07
Task 21 of 4096 (0,0,0,0,1,5) R1F-M0-N00-J07
Task 22 of 4096 (0,0,0,0,1,6) R1F-M0-N00-J07
Task 23 of 4096 (0,0,0,0,1,7) R1F-M0-N00-J07
Task 24 of 4096 (0,0,0,0,1,8) R1F-M0-N00-J07
Task 25 of 4096 (0,0,0,0,1,9) R1F-M0-N00-J07
Task 26 of 4096 (0,0,0,0,1,10) R1F-M0-N00-J07
Task 27 of 4096 (0,0,0,0,1,11) R1F-M0-N00-J07
Task 28 of 4096 (0,0,0,0,1,12) R1F-M0-N00-J07
Task 29 of 4096 (0,0,0,0,1,13) R1F-M0-N00-J07
Task 30 of 4096 (0,0,0,0,1,14) R1F-M0-N00-J07
Task 31 of 4096 (0,0,0,0,1,15) R1F-M0-N00-J07
Task 32 of 4096 (0,0,0,1,0,0) R1F-M0-N00-J12
Task 33 of 4096 (0,0,0,1,0,1) R1F-M0-N00-J12
Task 34 of 4096 (0,0,0,1,0,2) R1F-M0-N00-J12
Task 35 of 4096 (0,0,0,1,0,3) R1F-M0-N00-J12
Task 36 of 4096 (0,0,0,1,0,4) R1F-M0-N00-J12
Task 37 of 4096 (0,0,0,1,0,5) R1F-M0-N00-J12
Task 38 of 4096 (0,0,0,1,0,6) R1F-M0-N00-J12
Task 39 of 4096 (0,0,0,1,0,7) R1F-M0-N00-J12
Task 40 of 4096 (0,0,0,1,0,8) R1F-M0-N00-J12
Task 41 of 4096 (0,0,0,1,0,9) R1F-M0-N00-J12
Task 42 of 4096 (0,0,0,1,0,10) R1F-M0-N00-J12
Task 43 of 4096 (0,0,0,1,0,11) R1F-M0-N00-J12
Task 44 of 4096 (0,0,0,1,0,12) R1F-M0-N00-J12
Task 45 of 4096 (0,0,0,1,0,13) R1F-M0-N00-J12
Task 46 of 4096 (0,0,0,1,0,14) R1F-M0-N00-J12
Task 47 of 4096 (0,0,0,1,0,15) R1F-M0-N00-J12
Task 48 of 4096 (0,0,0,1,1,0) R1F-M0-N00-J11
Task 49 of 4096 (0,0,0,1,1,1) R1F-M0-N00-J11
Task 50 of 4096 (0,0,0,1,1,2) R1F-M0-N00-J11
Task 51 of 4096 (0,0,0,1,1,3) R1F-M0-N00-J11
Task 52 of 4096 (0,0,0,1,1,4) R1F-M0-N00-J11
Task 53 of 4096 (0,0,0,1,1,5) R1F-M0-N00-J11
Task 54 of 4096 (0,0,0,1,1,6) R1F-M0-N00-J11
Task 55 of 4096 (0,0,0,1,1,7) R1F-M0-N00-J11
Task 56 of 4096 (0,0,0,1,1,8) R1F-M0-N00-J11
Task 57 of 4096 (0,0,0,1,1,9) R1F-M0-N00-J11
Task 58 of 4096 (0,0,0,1,1,10) R1F-M0-N00-J11
Task 59 of 4096 (0,0,0,1,1,11) R1F-M0-N00-J11
Task 60 of 4096 (0,0,0,1,1,12) R1F-M0-N00-J11
Task 61 of 4096 (0,0,0,1,1,13) R1F-M0-N00-J11
Task 62 of 4096 (0,0,0,1,1,14) R1F-M0-N00-J11
Task 63 of 4096 (0,0,0,1,1,15) R1F-M0-N00-J11
Task 64 of 4096 (0,0,0,2,0,0) R1F-M0-N02-J12
Task 65 of 4096 (0,0,0,2,0,1) R1F-M0-N02-J12
Task 66 of 4096 (0,0,0,2,0,2) R1F-M0-N02-J12
Task 67 of 4096 (0,0,0,2,0,3) R1F-M0-N02-J12
Task 68 of 4096 (0,0,0,2,0,4) R1F-M0-N02-J12
Task 69 of 4096 (0,0,0,2,0,5) R1F-M0-N02-J12
Task 70 of 4096 (0,0,0,2,0,6) R1F-M0-N02-J12
Task 71 of 4096 (0,0,0,2,0,7) R1F-M0-N02-J12
Task 72 of 4096 (0,0,0,2,0,8) R1F-M0-N02-J12
Task 73 of 4096 (0,0,0,2,0,9) R1F-M0-N02-J12
Task 74 of 4096 (0,0,0,2,0,10) R1F-M0-N02-J12
Task 75 of 4096 (0,0,0,2,0,11) R1F-M0-N02-J12
Task 76 of 4096 (0,0,0,2,0,12) R1F-M0-N02-J12
Task 77 of 4096 (0,0,0,2,0,13) R1F-M0-N02-J12
Task 78 of 4096 (0,0,0,2,0,14) R1F-M0-N02-J12
Task 79 of 4096 (0,0,0,2,0,15) R1F-M0-N02-J12
Task 80 of 4096 (0,0,0,2,1,0) R1F-M0-N02-J11
Task 81 of 4096 (0,0,0,2,1,1) R1F-M0-N02-J11
Task 82 of 4096 (0,0,0,2,1,2) R1F-M0-N02-J11
Task 83 of 4096 (0,0,0,2,1,3) R1F-M0-N02-J11
Task 84 of 4096 (0,0,0,2,1,4) R1F-M0-N02-J11
Task 85 of 4096 (0,0,0,2,1,5) R1F-M0-N02-J11
Task 86 of 4096 (0,0,0,2,1,6) R1F-M0-N02-J11
Task 87 of 4096 (0,0,0,2,1,7) R1F-M0-N02-J11
Task 88 of 4096 (0,0,0,2,1,8) R1F-M0-N02-J11
Task 89 of 4096 (0,0,0,2,1,9) R1F-M0-N02-J11
Task 90 of 4096 (0,0,0,2,1,10) R1F-M0-N02-J11
Task 91 of 4096 (0,0,0,2,1,11) R1F-M0-N02-J11
Task 92 of 4096 (0,0,0,2,1,12) R1F-M0-N02-J11
Task 93 of 4096 (0,0,0,2,1,13) R1F-M0-N02-J11
Task 94 of 4096 (0,0,0,2,1,14) R1F-M0-N02-J11
Task 95 of 4096 (0,0,0,2,1,15) R1F-M0-N02-J11
Task 96 of 4096 (0,0,0,3,0,0) R1F-M0-N02-J00
Task 97 of 4096 (0,0,0,3,0,1) R1F-M0-N02-J00
Task 98 of 4096 (0,0,0,3,0,2) R1F-M0-N02-J00
Task 99 of 4096 (0,0,0,3,0,3) R1F-M0-N02-J00
Task 100 of 4096 (0,0,0,3,0,4) R1F-M0-N02-J00
Task 101 of 4096 (0,0,0,3,0,5) R1F-M0-N02-J00
Task 102 of 4096 (0,0,0,3,0,6) R1F-M0-N02-J00
Task 103 of 4096 (0,0,0,3,0,7) R1F-M0-N02-J00
Task 104 of 4096 (0,0,0,3,0,8) R1F-M0-N02-J00
Task 105 of 4096 (0,0,0,3,0,9) R1F-M0-N02-J00
Task 106 of 4096 (0,0,0,3,0,10) R1F-M0-N02-J00
Task 107 of 4096 (0,0,0,3,0,11) R1F-M0-N02-J00
Task 108 of 4096 (0,0,0,3,0,12) R1F-M0-N02-J00
Task 109 of 4096 (0,0,0,3,0,13) R1F-M0-N02-J00
Task 110 of 4096 (0,0,0,3,0,14) R1F-M0-N02-J00
Task 111 of 4096 (0,0,0,3,0,15) R1F-M0-N02-J00
Task 112 of 4096 (0,0,0,3,1,0) R1F-M0-N02-J07
Task 113 of 4096 (0,0,0,3,1,1) R1F-M0-N02-J07
Task 114 of 4096 (0,0,0,3,1,2) R1F-M0-N02-J07
Task 115 of 4096 (0,0,0,3,1,3) R1F-M0-N02-J07
Task 116 of 4096 (0,0,0,3,1,4) R1F-M0-N02-J07
Task 117 of 4096 (0,0,0,3,1,5) R1F-M0-N02-J07
Task 118 of 4096 (0,0,0,3,1,6) R1F-M0-N02-J07
Task 119 of 4096 (0,0,0,3,1,7) R1F-M0-N02-J07
Task 120 of 4096 (0,0,0,3,1,8) R1F-M0-N02-J07
Task 121 of 4096 (0,0,0,3,1,9) R1F-M0-N02-J07
Task 122 of 4096 (0,0,0,3,1,10) R1F-M0-N02-J07
Task 123 of 4096 (0,0,0,3,1,11) R1F-M0-N02-J07
Task 124 of 4096 (0,0,0,3,1,12) R1F-M0-N02-J07
Task 125 of 4096 (0,0,0,3,1,13) R1F-M0-N02-J07
Task 126 of 4096 (0,0,0,3,1,14) R1F-M0-N02-J07
Task 127 of 4096 (0,0,0,3,1,15) R1F-M0-N02-J07
Task 128 of 4096 (0,0,1,0,0,0) R1F-M0-N00-J01
Task 129 of 4096 (0,0,1,0,0,1) R1F-M0-N00-J01
Task 130 of 4096 (0,0,1,0,0,2) R1F-M0-N00-J01
Task 131 of 4096 (0,0,1,0,0,3) R1F-M0-N00-J01
Task 132 of 4096 (0,0,1,0,0,4) R1F-M0-N00-J01
Task 133 of 4096 (0,0,1,0,0,5) R1F-M0-N00-J01
Task 134 of 4096 (0,0,1,0,0,6) R1F-M0-N00-J01
Task 135 of 4096 (0,0,1,0,0,7) R1F-M0-N00-J01
Task 136 of 4096 (0,0,1,0,0,8) R1F-M0-N00-J01
Task 137 of 4096 (0,0,1,0,0,9) R1F-M0-N00-J01
Task 138 of 4096 (0,0,1,0,0,10) R1F-M0-N00-J01
Task 139 of 4096 (0,0,1,0,0,11) R1F-M0-N00-J01
Task 140 of 4096 (0,0,1,0,0,12) R1F-M0-N00-J01
Task 141 of 4096 (0,0,1,0,0,13) R1F-M0-N00-J01
Task 142 of 4096 (0,0,1,0,0,14) R1F-M0-N00-J01
Task 143 of 4096 (0,0,1,0,0,15) R1F-M0-N00-J01
Task 144 of 4096 (0,0,1,0,1,0) R1F-M0-N00-J06
Task 145 of 4096 (0,0,1,0,1,1) R1F-M0-N00-J06
Task 146 of 4096 (0,0,1,0,1,2) R1F-M0-N00-J06
Task 147 of 4096 (0,0,1,0,1,3) R1F-M0-N00-J06
Task 148 of 4096 (0,0,1,0,1,4) R1F-M0-N00-J06
Task 149 of 4096 (0,0,1,0,1,5) R1F-M0-N00-J06
Task 150 of 4096 (0,0,1,0,1,6) R1F-M0-N00-J06
Task 151 of 4096 (0,0,1,0,1,7) R1F-M0-N00-J06
Task 152 of 4096 (0,0,1,0,1,8) R1F-M0-N00-J06
Task 153 of 4096 (0,0,1,0,1,9) R1F-M0-N00-J06
Task 154 of 4096 (0,0,1,0,1,10) R1F-M0-N00-J06
Task 155 of 4096 (0,0,1,0,1,11) R1F-M0-N00-J06
Task 156 of 4096 (0,0,1,0,1,12) R1F-M0-N00-J06
Task 157 of 4096 (0,0,1,0,1,13) R1F-M0-N00-J06
Task 158 of 4096 (0,0,1,0,1,14) R1F-M0-N00-J06
Task 159 of 4096 (0,0,1,0,1,15) R1F-M0-N00-J06
Task 160 of 4096 (0,0,1,1,0,0) R1F-M0-N00-J13
Task 161 of 4096 (0,0,1,1,0,1) R1F-M0-N00-J13
Task 162 of 4096 (0,0,1,1,0,2) R1F-M0-N00-J13
Task 163 of 4096 (0,0,1,1,0,3) R1F-M0-N00-J13
Task 164 of 4096 (0,0,1,1,0,4) R1F-M0-N00-J13
Task 165 of 4096 (0,0,1,1,0,5) R1F-M0-N00-J13
Task 166 of 4096 (0,0,1,1,0,6) R1F-M0-N00-J13
Task 167 of 4096 (0,0,1,1,0,7) R1F-M0-N00-J13
Task 168 of 4096 (0,0,1,1,0,8) R1F-M0-N00-J13
Task 169 of 4096 (0,0,1,1,0,9) R1F-M0-N00-J13
Task 170 of 4096 (0,0,1,1,0,10) R1F-M0-N00-J13
Task 171 of 4096 (0,0,1,1,0,11) R1F-M0-N00-J13
Task 172 of 4096 (0,0,1,1,0,12) R1F-M0-N00-J13
Task 173 of 4096 (0,0,1,1,0,13) R1F-M0-N00-J13
Task 174 of 4096 (0,0,1,1,0,14) R1F-M0-N00-J13
Task 175 of 4096 (0,0,1,1,0,15) R1F-M0-N00-J13
Task 176 of 4096 (0,0,1,1,1,0) R1F-M0-N00-J10
Task 177 of 4096 (0,0,1,1,1,1) R1F-M0-N00-J10
Task 178 of 4096 (0,0,1,1,1,2) R1F-M0-N00-J10
Task 179 of 4096 (0,0,1,1,1,3) R1F-M0-N00-J10
Task 180 of 4096 (0,0,1,1,1,4) R1F-M0-N00-J10
Task 181 of 4096 (0,0,1,1,1,5) R1F-M0-N00-J10
Task 182 of 4096 (0,0,1,1,1,6) R1F-M0-N00-J10
Task 183 of 4096 (0,0,1,1,1,7) R1F-M0-N00-J10
Task 184 of 4096 (0,0,1,1,1,8) R1F-M0-N00-J10
Task 185 of 4096 (0,0,1,1,1,9) R1F-M0-N00-J10
Task 186 of 4096 (0,0,1,1,1,10) R1F-M0-N00-J10
Task 187 of 4096 (0,0,1,1,1,11) R1F-M0-N00-J10
Task 188 of 4096 (0,0,1,1,1,12) R1F-M0-N00-J10
Task 189 of 4096 (0,0,1,1,1,13) R1F-M0-N00-J10
Task 190 of 4096 (0,0,1,1,1,14) R1F-M0-N00-J10
Task 191 of 4096 (0,0,1,1,1,15) R1F-M0-N00-J10
Task 192 of 4096 (0,0,1,2,0,0) R1F-M0-N02-J13
Task 193 of 4096 (0,0,1,2,0,1) R1F-M0-N02-J13
Task 194 of 4096 (0,0,1,2,0,2) R1F-M0-N02-J13
Task 195 of 4096 (0,0,1,2,0,3) R1F-M0-N02-J13
Task 196 of 4096 (0,0,1,2,0,4) R1F-M0-N02-J13
Task 197 of 4096 (0,0,1,2,0,5) R1F-M0-N02-J13
Task 198 of 4096 (0,0,1,2,0,6) R1F-M0-N02-J13
Task 199 of 4096 (0,0,1,2,0,7) R1F-M0-N02-J13
Task 200 of 4096 (0,0,1,2,0,8) R1F-M0-N02-J13
Task 201 of 4096 (0,0,1,2,0,9) R1F-M0-N02-J13
Task 202 of 4096 (0,0,1,2,0,10) R1F-M0-N02-J13
Task 203 of 4096 (0,0,1,2,0,11) R1F-M0-N02-J13
Task 204 of 4096 (0,0,1,2,0,12) R1F-M0-N02-J13
Task 205 of 4096 (0,0,1,2,0,13) R1F-M0-N02-J13
Task 206 of 4096 (0,0,1,2,0,14) R1F-M0-N02-J13
Task 207 of 4096 (0,0,1,2,0,15) R1F-M0-N02-J13
Task 208 of 4096 (0,0,1,2,1,0) R1F-M0-N02-J10
Task 209 of 4096 (0,0,1,2,1,1) R1F-M0-N02-J10
Task 210 of 4096 (0,0,1,2,1,2) R1F-M0-N02-J10
Task 211 of 4096 (0,0,1,2,1,3) R1F-M0-N02-J10
Task 212 of 4096 (0,0,1,2,1,4) R1F-M0-N02-J10
Task 213 of 4096 (0,0,1,2,1,5) R1F-M0-N02-J10
Task 214 of 4096 (0,0,1,2,1,6) R1F-M0-N02-J10
Task 215 of 4096 (0,0,1,2,1,7) R1F-M0-N02-J10
Task 216 of 4096 (0,0,1,2,1,8) R1F-M0-N02-J10
Task 217 of 4096 (0,0,1,2,1,9) R1F-M0-N02-J10
Task 218 of 4096 (0,0,1,2,1,10) R1F-M0-N02-J10
Task 219 of 4096 (0,0,1,2,1,11) R1F-M0-N02-J10
Task 220 of 4096 (0,0,1,2,1,12) R1F-M0-N02-J10
Task 221 of 4096 (0,0,1,2,1,13) R1F-M0-N02-J10
Task 222 of 4096 (0,0,1,2,1,14) R1F-M0-N02-J10
Task 223 of 4096 (0,0,1,2,1,15) R1F-M0-N02-J10
Task 224 of 4096 (0,0,1,3,0,0) R1F-M0-N02-J01
Task 225 of 4096 (0,0,1,3,0,1) R1F-M0-N02-J01
Task 226 of 4096 (0,0,1,3,0,2) R1F-M0-N02-J01
Task 227 of 4096 (0,0,1,3,0,3) R1F-M0-N02-J01
Task 228 of 4096 (0,0,1,3,0,4) R1F-M0-N02-J01
Task 229 of 4096 (0,0,1,3,0,5) R1F-M0-N02-J01
Task 230 of 4096 (0,0,1,3,0,6) R1F-M0-N02-J01
Task 231 of 4096 (0,0,1,3,0,7) R1F-M0-N02-J01
Task 232 of 4096 (0,0,1,3,0,8) R1F-M0-N02-J01
Task 233 of 4096 (0,0,1,3,0,9) R1F-M0-N02-J01
Task 234 of 4096 (0,0,1,3,0,10) R1F-M0-N02-J01
Task 235 of 4096 (0,0,1,3,0,11) R1F-M0-N02-J01
Task 236 of 4096 (0,0,1,3,0,12) R1F-M0-N02-J01
Task 237 of 4096 (0,0,1,3,0,13) R1F-M0-N02-J01
Task 238 of 4096 (0,0,1,3,0,14) R1F-M0-N02-J01
Task 239 of 4096 (0,0,1,3,0,15) R1F-M0-N02-J01
Task 240 of 4096 (0,0,1,3,1,0) R1F-M0-N02-J06
Task 241 of 4096 (0,0,1,3,1,1) R1F-M0-N02-J06
Task 242 of 4096 (0,0,1,3,1,2) R1F-M0-N02-J06
Task 243 of 4096 (0,0,1,3,1,3) R1F-M0-N02-J06
Task 244 of 4096 (0,0,1,3,1,4) R1F-M0-N02-J06
Task 245 of 4096 (0,0,1,3,1,5) R1F-M0-N02-J06
Task 246 of 4096 (0,0,1,3,1,6) R1F-M0-N02-J06
Task 247 of 4096 (0,0,1,3,1,7) R1F-M0-N02-J06
Task 248 of 4096 (0,0,1,3,1,8) R1F-M0-N02-J06
Task 249 of 4096 (0,0,1,3,1,9) R1F-M0-N02-J06
Task 250 of 4096 (0,0,1,3,1,10) R1F-M0-N02-J06
Task 251 of 4096 (0,0,1,3,1,11) R1F-M0-N02-J06
Task 252 of 4096 (0,0,1,3,1,12) R1F-M0-N02-J06
Task 253 of 4096 (0,0,1,3,1,13) R1F-M0-N02-J06
Task 254 of 4096 (0,0,1,3,1,14) R1F-M0-N02-J06
Task 255 of 4096 (0,0,1,3,1,15) R1F-M0-N02-J06
Task 256 of 4096 (0,0,2,0,0,0) R1F-M0-N01-J01
Task 257 of 4096 (0,0,2,0,0,1) R1F-M0-N01-J01
Task 258 of 4096 (0,0,2,0,0,2) R1F-M0-N01-J01
Task 259 of 4096 (0,0,2,0,0,3) R1F-M0-N01-J01
Task 260 of 4096 (0,0,2,0,0,4) R1F-M0-N01-J01
Task 261 of 4096 (0,0,2,0,0,5) R1F-M0-N01-J01
Task 262 of 4096 (0,0,2,0,0,6) R1F-M0-N01-J01
Task 263 of 4096 (0,0,2,0,0,7) R1F-M0-N01-J01
Task 264 of 4096 (0,0,2,0,0,8) R1F-M0-N01-J01
Task 265 of 4096 (0,0,2,0,0,9) R1F-M0-N01-J01
Task 266 of 4096 (0,0,2,0,0,10) R1F-M0-N01-J01
Task 267 of 4096 (0,0,2,0,0,11) R1F-M0-N01-J01
Task 268 of 4096 (0,0,2,0,0,12) R1F-M0-N01-J01
Task 269 of 4096 (0,0,2,0,0,13) R1F-M0-N01-J01
Task 270 of 4096 (0,0,2,0,0,14) R1F-M0-N01-J01
Task 271 of 4096 (0,0,2,0,0,15) R1F-M0-N01-J01
Task 272 of 4096 (0,0,2,0,1,0) R1F-M0-N01-J06
Task 273 of 4096 (0,0,2,0,1,1) R1F-M0-N01-J06
Task 274 of 4096 (0,0,2,0,1,2) R1F-M0-N01-J06
Task 275 of 4096 (0,0,2,0,1,3) R1F-M0-N01-J06
Task 276 of 4096 (0,0,2,0,1,4) R1F-M0-N01-J06
Task 277 of 4096 (0,0,2,0,1,5) R1F-M0-N01-J06
Task 278 of 4096 (0,0,2,0,1,6) R1F-M0-N01-J06
Task 279 of 4096 (0,0,2,0,1,7) R1F-M0-N01-J06
Task 280 of 4096 (0,0,2,0,1,8) R1F-M0-N01-J06
Task 281 of 4096 (0,0,2,0,1,9) R1F-M0-N01-J06
Task 282 of 4096 (0,0,2,0,1,10) R1F-M0-N01-J06
Task 283 of 4096 (0,0,2,0,1,11) R1F-M0-N01-J06
Task 284 of 4096 (0,0,2,0,1,12) R1F-M0-N01-J06
Task 285 of 4096 (0,0,2,0,1,13) R1F-M0-N01-J06
Task 286 of 4096 (0,0,2,0,1,14) R1F-M0-N01-J06
Task 287 of 4096 (0,0,2,0,1,15) R1F-M0-N01-J06
Task 288 of 4096 (0,0,2,1,0,0) R1F-M0-N01-J13
Task 289 of 4096 (0,0,2,1,0,1) R1F-M0-N01-J13
Task 290 of 4096 (0,0,2,1,0,2) R1F-M0-N01-J13
Task 291 of 4096 (0,0,2,1,0,3) R1F-M0-N01-J13
Task 292 of 4096 (0,0,2,1,0,4) R1F-M0-N01-J13
Task 293 of 4096 (0,0,2,1,0,5) R1F-M0-N01-J13
Task 294 of 4096 (0,0,2,1,0,6) R1F-M0-N01-J13
Task 295 of 4096 (0,0,2,1,0,7) R1F-M0-N01-J13
Task 296 of 4096 (0,0,2,1,0,8) R1F-M0-N01-J13
Task 297 of 4096 (0,0,2,1,0,9) R1F-M0-N01-J13
Task 298 of 4096 (0,0,2,1,0,10) R1F-M0-N01-J13
Task 299 of 4096 (0,0,2,1,0,11) R1F-M0-N01-J13
Task 300 of 4096 (0,0,2,1,0,12) R1F-M0-N01-J13
Task 301 of 4096 (0,0,2,1,0,13) R1F-M0-N01-J13
Task 302 of 4096 (0,0,2,1,0,14) R1F-M0-N01-J13
Task 303 of 4096 (0,0,2,1,0,15) R1F-M0-N01-J13
Task 304 of 4096 (0,0,2,1,1,0) R1F-M0-N01-J10
Task 305 of 4096 (0,0,2,1,1,1) R1F-M0-N01-J10
Task 306 of 4096 (0,0,2,1,1,2) R1F-M0-N01-J10
Task 307 of 4096 (0,0,2,1,1,3) R1F-M0-N01-J10
Task 308 of 4096 (0,0,2,1,1,4) R1F-M0-N01-J10
Task 309 of 4096 (0,0,2,1,1,5) R1F-M0-N01-J10
Task 310 of 4096 (0,0,2,1,1,6) R1F-M0-N01-J10
Task 311 of 4096 (0,0,2,1,1,7) R1F-M0-N01-J10
Task 312 of 4096 (0,0,2,1,1,8) R1F-M0-N01-J10
Task 313 of 4096 (0,0,2,1,1,9) R1F-M0-N01-J10
Task 314 of 4096 (0,0,2,1,1,10) R1F-M0-N01-J10
Task 315 of 4096 (0,0,2,1,1,11) R1F-M0-N01-J10
Task 316 of 4096 (0,0,2,1,1,12) R1F-M0-N01-J10
Task 317 of 4096 (0,0,2,1,1,13) R1F-M0-N01-J10
Task 318 of 4096 (0,0,2,1,1,14) R1F-M0-N01-J10
Task 319 of 4096 (0,0,2,1,1,15) R1F-M0-N01-J10
Task 320 of 4096 (0,0,2,2,0,0) R1F-M0-N03-J13
Task 321 of 4096 (0,0,2,2,0,1) R1F-M0-N03-J13
Task 322 of 4096 (0,0,2,2,0,2) R1F-M0-N03-J13
Task 323 of 4096 (0,0,2,2,0,3) R1F-M0-N03-J13
Task 324 of 4096 (0,0,2,2,0,4) R1F-M0-N03-J13
Task 325 of 4096 (0,0,2,2,0,5) R1F-M0-N03-J13
Task 326 of 4096 (0,0,2,2,0,6) R1F-M0-N03-J13
Task 327 of 4096 (0,0,2,2,0,7) R1F-M0-N03-J13
Task 328 of 4096 (0,0,2,2,0,8) R1F-M0-N03-J13
Task 329 of 4096 (0,0,2,2,0,9) R1F-M0-N03-J13
Task 330 of 4096 (0,0,2,2,0,10) R1F-M0-N03-J13
Task 331 of 4096 (0,0,2,2,0,11) R1F-M0-N03-J13
Task 332 of 4096 (0,0,2,2,0,12) R1F-M0-N03-J13
Task 333 of 4096 (0,0,2,2,0,13) R1F-M0-N03-J13
Task 334 of 4096 (0,0,2,2,0,14) R1F-M0-N03-J13
Task 335 of 4096 (0,0,2,2,0,15) R1F-M0-N03-J13
Task 336 of 4096 (0,0,2,2,1,0) R1F-M0-N03-J10
Task 337 of 4096 (0,0,2,2,1,1) R1F-M0-N03-J10
Task 338 of 4096 (0,0,2,2,1,2) R1F-M0-N03-J10
Task 339 of 4096 (0,0,2,2,1,3) R1F-M0-N03-J10
Task 340 of 4096 (0,0,2,2,1,4) R1F-M0-N03-J10
Task 341 of 4096 (0,0,2,2,1,5) R1F-M0-N03-J10
Task 342 of 4096 (0,0,2,2,1,6) R1F-M0-N03-J10
Task 343 of 4096 (0,0,2,2,1,7) R1F-M0-N03-J10
Task 344 of 4096 (0,0,2,2,1,8) R1F-M0-N03-J10
Task 345 of 4096 (0,0,2,2,1,9) R1F-M0-N03-J10
Task 346 of 4096 (0,0,2,2,1,10) R1F-M0-N03-J10
Task 347 of 4096 (0,0,2,2,1,11) R1F-M0-N03-J10
Task 348 of 4096 (0,0,2,2,1,12) R1F-M0-N03-J10
Task 349 of 4096 (0,0,2,2,1,13) R1F-M0-N03-J10
Task 350 of 4096 (0,0,2,2,1,14) R1F-M0-N03-J10
Task 351 of 4096 (0,0,2,2,1,15) R1F-M0-N03-J10
Task 352 of 4096 (0,0,2,3,0,0) R1F-M0-N03-J01
Task 353 of 4096 (0,0,2,3,0,1) R1F-M0-N03-J01
Task 354 of 4096 (0,0,2,3,0,2) R1F-M0-N03-J01
Task 355 of 4096 (0,0,2,3,0,3) R1F-M0-N03-J01
Task 356 of 4096 (0,0,2,3,0,4) R1F-M0-N03-J01
Task 357 of 4096 (0,0,2,3,0,5) R1F-M0-N03-J01
Task 358 of 4096 (0,0,2,3,0,6) R1F-M0-N03-J01
Task 359 of 4096 (0,0,2,3,0,7) R1F-M0-N03-J01
Task 360 of 4096 (0,0,2,3,0,8) R1F-M0-N03-J01
Task 361 of 4096 (0,0,2,3,0,9) R1F-M0-N03-J01
Task 362 of 4096 (0,0,2,3,0,10) R1F-M0-N03-J01
Task 363 of 4096 (0,0,2,3,0,11) R1F-M0-N03-J01
Task 364 of 4096 (0,0,2,3,0,12) R1F-M0-N03-J01
Task 365 of 4096 (0,0,2,3,0,13) R1F-M0-N03-J01
Task 366 of 4096 (0,0,2,3,0,14) R1F-M0-N03-J01
Task 367 of 4096 (0,0,2,3,0,15) R1F-M0-N03-J01
Task 368 of 4096 (0,0,2,3,1,0) R1F-M0-N03-J06
Task 369 of 4096 (0,0,2,3,1,1) R1F-M0-N03-J06
Task 370 of 4096 (0,0,2,3,1,2) R1F-M0-N03-J06
Task 371 of 4096 (0,0,2,3,1,3) R1F-M0-N03-J06
Task 372 of 4096 (0,0,2,3,1,4) R1F-M0-N03-J06
Task 373 of 4096 (0,0,2,3,1,5) R1F-M0-N03-J06
Task 374 of 4096 (0,0,2,3,1,6) R1F-M0-N03-J06
Task 375 of 4096 (0,0,2,3,1,7) R1F-M0-N03-J06
Task 376 of 4096 (0,0,2,3,1,8) R1F-M0-N03-J06
Task 377 of 4096 (0,0,2,3,1,9) R1F-M0-N03-J06
Task 378 of 4096 (0,0,2,3,1,10) R1F-M0-N03-J06
Task 379 of 4096 (0,0,2,3,1,11) R1F-M0-N03-J06
Task 380 of 4096 (0,0,2,3,1,12) R1F-M0-N03-J06
Task 381 of 4096 (0,0,2,3,1,13) R1F-M0-N03-J06
Task 382 of 4096 (0,0,2,3,1,14) R1F-M0-N03-J06
Task 383 of 4096 (0,0,2,3,1,15) R1F-M0-N03-J06
Task 384 of 4096 (0,0,3,0,0,0) R1F-M0-N01-J00
Task 385 of 4096 (0,0,3,0,0,1) R1F-M0-N01-J00
Task 386 of 4096 (0,0,3,0,0,2) R1F-M0-N01-J00
Task 387 of 4096 (0,0,3,0,0,3) R1F-M0-N01-J00
Task 388 of 4096 (0,0,3,0,0,4) R1F-M0-N01-J00
Task 389 of 4096 (0,0,3,0,0,5) R1F-M0-N01-J00
Task 390 of 4096 (0,0,3,0,0,6) R1F-M0-N01-J00
Task 391 of 4096 (0,0,3,0,0,7) R1F-M0-N01-J00
Task 392 of 4096 (0,0,3,0,0,8) R1F-M0-N01-J00
Task 393 of 4096 (0,0,3,0,0,9) R1F-M0-N01-J00
Task 394 of 4096 (0,0,3,0,0,10) R1F-M0-N01-J00
Task 395 of 4096 (0,0,3,0,0,11) R1F-M0-N01-J00
Task 396 of 4096 (0,0,3,0,0,12) R1F-M0-N01-J00
Task 397 of 4096 (0,0,3,0,0,13) R1F-M0-N01-J00
Task 398 of 4096 (0,0,3,0,0,14) R1F-M0-N01-J00
Task 399 of 4096 (0,0,3,0,0,15) R1F-M0-N01-J00
Task 400 of 4096 (0,0,3,0,1,0) R1F-M0-N01-J07
Task 401 of 4096 (0,0,3,0,1,1) R1F-M0-N01-J07
Task 402 of 4096 (0,0,3,0,1,2) R1F-M0-N01-J07
Task 403 of 4096 (0,0,3,0,1,3) R1F-M0-N01-J07
Task 404 of 4096 (0,0,3,0,1,4) R1F-M0-N01-J07
Task 405 of 4096 (0,0,3,0,1,5) R1F-M0-N01-J07
Task 406 of 4096 (0,0,3,0,1,6) R1F-M0-N01-J07
Task 407 of 4096 (0,0,3,0,1,7) R1F-M0-N01-J07
Task 408 of 4096 (0,0,3,0,1,8) R1F-M0-N01-J07
Task 409 of 4096 (0,0,3,0,1,9) R1F-M0-N01-J07
Task 410 of 4096 (0,0,3,0,1,10) R1F-M0-N01-J07
Task 411 of 4096 (0,0,3,0,1,11) R1F-M0-N01-J07
Task 412 of 4096 (0,0,3,0,1,12) R1F-M0-N01-J07
Task 413 of 4096 (0,0,3,0,1,13) R1F-M0-N01-J07
Task 414 of 4096 (0,0,3,0,1,14) R1F-M0-N01-J07
Task 415 of 4096 (0,0,3,0,1,15) R1F-M0-N01-J07
Task 416 of 4096 (0,0,3,1,0,0) R1F-M0-N01-J12
Task 417 of 4096 (0,0,3,1,0,1) R1F-M0-N01-J12
Task 418 of 4096 (0,0,3,1,0,2) R1F-M0-N01-J12
Task 419 of 4096 (0,0,3,1,0,3) R1F-M0-N01-J12
Task 420 of 4096 (0,0,3,1,0,4) R1F-M0-N01-J12
Task 421 of 4096 (0,0,3,1,0,5) R1F-M0-N01-J12
Task 422 of 4096 (0,0,3,1,0,6) R1F-M0-N01-J12
Task 423 of 4096 (0,0,3,1,0,7) R1F-M0-N01-J12
Task 424 of 4096 (0,0,3,1,0,8) R1F-M0-N01-J12
Task 425 of 4096 (0,0,3,1,0,9) R1F-M0-N01-J12
Task 426 of 4096 (0,0,3,1,0,10) R1F-M0-N01-J12
Task 427 of 4096 (0,0,3,1,0,11) R1F-M0-N01-J12
Task 428 of 4096 (0,0,3,1,0,12) R1F-M0-N01-J12
Task 429 of 4096 (0,0,3,1,0,13) R1F-M0-N01-J12
Task 430 of 4096 (0,0,3,1,0,14) R1F-M0-N01-J12
Task 431 of 4096 (0,0,3,1,0,15) R1F-M0-N01-J12
Task 432 of 4096 (0,0,3,1,1,0) R1F-M0-N01-J11
Task 433 of 4096 (0,0,3,1,1,1) R1F-M0-N01-J11
Task 434 of 4096 (0,0,3,1,1,2) R1F-M0-N01-J11
Task 435 of 4096 (0,0,3,1,1,3) R1F-M0-N01-J11
Task 436 of 4096 (0,0,3,1,1,4) R1F-M0-N01-J11
Task 437 of 4096 (0,0,3,1,1,5) R1F-M0-N01-J11
Task 438 of 4096 (0,0,3,1,1,6) R1F-M0-N01-J11
Task 439 of 4096 (0,0,3,1,1,7) R1F-M0-N01-J11
Task 440 of 4096 (0,0,3,1,1,8) R1F-M0-N01-J11
Task 441 of 4096 (0,0,3,1,1,9) R1F-M0-N01-J11
Task 442 of 4096 (0,0,3,1,1,10) R1F-M0-N01-J11
Task 443 of 4096 (0,0,3,1,1,11) R1F-M0-N01-J11
Task 444 of 4096 (0,0,3,1,1,12) R1F-M0-N01-J11
Task 445 of 4096 (0,0,3,1,1,13) R1F-M0-N01-J11
Task 446 of 4096 (0,0,3,1,1,14) R1F-M0-N01-J11
Task 447 of 4096 (0,0,3,1,1,15) R1F-M0-N01-J11
Task 448 of 4096 (0,0,3,2,0,0) R1F-M0-N03-J12
Task 449 of 4096 (0,0,3,2,0,1) R1F-M0-N03-J12
Task 450 of 4096 (0,0,3,2,0,2) R1F-M0-N03-J12
Task 451 of 4096 (0,0,3,2,0,3) R1F-M0-N03-J12
Task 452 of 4096 (0,0,3,2,0,4) R1F-M0-N03-J12
Task 453 of 4096 (0,0,3,2,0,5) R1F-M0-N03-J12
Task 454 of 4096 (0,0,3,2,0,6) R1F-M0-N03-J12
Task 455 of 4096 (0,0,3,2,0,7) R1F-M0-N03-J12
Task 456 of 4096 (0,0,3,2,0,8) R1F-M0-N03-J12
Task 457 of 4096 (0,0,3,2,0,9) R1F-M0-N03-J12
Task 458 of 4096 (0,0,3,2,0,10) R1F-M0-N03-J12
Task 459 of 4096 (0,0,3,2,0,11) R1F-M0-N03-J12
Task 460 of 4096 (0,0,3,2,0,12) R1F-M0-N03-J12
Task 461 of 4096 (0,0,3,2,0,13) R1F-M0-N03-J12
Task 462 of 4096 (0,0,3,2,0,14) R1F-M0-N03-J12
Task 463 of 4096 (0,0,3,2,0,15) R1F-M0-N03-J12
Task 464 of 4096 (0,0,3,2,1,0) R1F-M0-N03-J11
Task 465 of 4096 (0,0,3,2,1,1) R1F-M0-N03-J11
Task 466 of 4096 (0,0,3,2,1,2) R1F-M0-N03-J11
Task 467 of 4096 (0,0,3,2,1,3) R1F-M0-N03-J11
Task 468 of 4096 (0,0,3,2,1,4) R1F-M0-N03-J11
Task 469 of 4096 (0,0,3,2,1,5) R1F-M0-N03-J11
Task 470 of 4096 (0,0,3,2,1,6) R1F-M0-N03-J11
Task 471 of 4096 (0,0,3,2,1,7) R1F-M0-N03-J11
Task 472 of 4096 (0,0,3,2,1,8) R1F-M0-N03-J11
Task 473 of 4096 (0,0,3,2,1,9) R1F-M0-N03-J11
Task 474 of 4096 (0,0,3,2,1,10) R1F-M0-N03-J11
Task 475 of 4096 (0,0,3,2,1,11) R1F-M0-N03-J11
Task 476 of 4096 (0,0,3,2,1,12) R1F-M0-N03-J11
Task 477 of 4096 (0,0,3,2,1,13) R1F-M0-N03-J11
Task 478 of 4096 (0,0,3,2,1,14) R1F-M0-N03-J11
Task 479 of 4096 (0,0,3,2,1,15) R1F-M0-N03-J11
Task 480 of 4096 (0,0,3,3,0,0) R1F-M0-N03-J00
Task 481 of 4096 (0,0,3,3,0,1) R1F-M0-N03-J00
Task 482 of 4096 (0,0,3,3,0,2) R1F-M0-N03-J00
Task 483 of 4096 (0,0,3,3,0,3) R1F-M0-N03-J00
Task 484 of 4096 (0,0,3,3,0,4) R1F-M0-N03-J00
Task 485 of 4096 (0,0,3,3,0,5) R1F-M0-N03-J00
Task 486 of 4096 (0,0,3,3,0,6) R1F-M0-N03-J00
Task 487 of 4096 (0,0,3,3,0,7) R1F-M0-N03-J00
Task 488 of 4096 (0,0,3,3,0,8) R1F-M0-N03-J00
Task 489 of 4096 (0,0,3,3,0,9) R1F-M0-N03-J00
Task 490 of 4096 (0,0,3,3,0,10) R1F-M0-N03-J00
Task 491 of 4096 (0,0,3,3,0,11) R1F-M0-N03-J00
Task 492 of 4096 (0,0,3,3,0,12) R1F-M0-N03-J00
Task 493 of 4096 (0,0,3,3,0,13) R1F-M0-N03-J00
Task 494 of 4096 (0,0,3,3,0,14) R1F-M0-N03-J00
Task 495 of 4096 (0,0,3,3,0,15) R1F-M0-N03-J00
Task 496 of 4096 (0,0,3,3,1,0) R1F-M0-N03-J07
Task 497 of 4096 (0,0,3,3,1,1) R1F-M0-N03-J07
Task 498 of 4096 (0,0,3,3,1,2) R1F-M0-N03-J07
Task 499 of 4096 (0,0,3,3,1,3) R1F-M0-N03-J07
Task 500 of 4096 (0,0,3,3,1,4) R1F-M0-N03-J07
Task 501 of 4096 (0,0,3,3,1,5) R1F-M0-N03-J07
Task 502 of 4096 (0,0,3,3,1,6) R1F-M0-N03-J07
Task 503 of 4096 (0,0,3,3,1,7) R1F-M0-N03-J07
Task 504 of 4096 (0,0,3,3,1,8) R1F-M0-N03-J07
Task 505 of 4096 (0,0,3,3,1,9) R1F-M0-N03-J07
Task 506 of 4096 (0,0,3,3,1,10) R1F-M0-N03-J07
Task 507 of 4096 (0,0,3,3,1,11) R1F-M0-N03-J07
Task 508 of 4096 (0,0,3,3,1,12) R1F-M0-N03-J07
Task 509 of 4096 (0,0,3,3,1,13) R1F-M0-N03-J07
Task 510 of 4096 (0,0,3,3,1,14) R1F-M0-N03-J07
Task 511 of 4096 (0,0,3,3,1,15) R1F-M0-N03-J07
Task 512 of 4096 (0,1,0,0,0,0) R1F-M0-N00-J03
Task 513 of 4096 (0,1,0,0,0,1) R1F-M0-N00-J03
Task 514 of 4096 (0,1,0,0,0,2) R1F-M0-N00-J03
Task 515 of 4096 (0,1,0,0,0,3) R1F-M0-N00-J03
Task 516 of 4096 (0,1,0,0,0,4) R1F-M0-N00-J03
Task 517 of 4096 (0,1,0,0,0,5) R1F-M0-N00-J03
Task 518 of 4096 (0,1,0,0,0,6) R1F-M0-N00-J03
Task 519 of 4096 (0,1,0,0,0,7) R1F-M0-N00-J03
Task 520 of 4096 (0,1,0,0,0,8) R1F-M0-N00-J03
Task 521 of 4096 (0,1,0,0,0,9) R1F-M0-N00-J03
Task 522 of 4096 (0,1,0,0,0,10) R1F-M0-N00-J03
Task 523 of 4096 (0,1,0,0,0,11) R1F-M0-N00-J03
Task 524 of 4096 (0,1,0,0,0,12) R1F-M0-N00-J03
Task 525 of 4096 (0,1,0,0,0,13) R1F-M0-N00-J03
Task 526 of 4096 (0,1,0,0,0,14) R1F-M0-N00-J03
Task 527 of 4096 (0,1,0,0,0,15) R1F-M0-N00-J03
Task 528 of 4096 (0,1,0,0,1,0) R1F-M0-N00-J04
Task 529 of 4096 (0,1,0,0,1,1) R1F-M0-N00-J04
Task 530 of 4096 (0,1,0,0,1,2) R1F-M0-N00-J04
Task 531 of 4096 (0,1,0,0,1,3) R1F-M0-N00-J04
Task 532 of 4096 (0,1,0,0,1,4) R1F-M0-N00-J04
Task 533 of 4096 (0,1,0,0,1,5) R1F-M0-N00-J04
Task 534 of 4096 (0,1,0,0,1,6) R1F-M0-N00-J04
Task 535 of 4096 (0,1,0,0,1,7) R1F-M0-N00-J04
Task 536 of 4096 (0,1,0,0,1,8) R1F-M0-N00-J04
Task 537 of 4096 (0,1,0,0,1,9) R1F-M0-N00-J04
Task 538 of 4096 (0,1,0,0,1,10) R1F-M0-N00-J04
Task 539 of 4096 (0,1,0,0,1,11) R1F-M0-N00-J04
Task 540 of 4096 (0,1,0,0,1,12) R1F-M0-N00-J04
Task 541 of 4096 (0,1,0,0,1,13) R1F-M0-N00-J04
Task 542 of 4096 (0,1,0,0,1,14) R1F-M0-N00-J04
Task 543 of 4096 (0,1,0,0,1,15) R1F-M0-N00-J04
Task 544 of 4096 (0,1,0,1,0,0) R1F-M0-N00-J15
Task 545 of 4096 (0,1,0,1,0,1) R1F-M0-N00-J15
Task 546 of 4096 (0,1,0,1,0,2) R1F-M0-N00-J15
Task 547 of 4096 (0,1,0,1,0,3) R1F-M0-N00-J15
Task 548 of 4096 (0,1,0,1,0,4) R1F-M0-N00-J15
Task 549 of 4096 (0,1,0,1,0,5) R1F-M0-N00-J15
Task 550 of 4096 (0,1,0,1,0,6) R1F-M0-N00-J15
Task 551 of 4096 (0,1,0,1,0,7) R1F-M0-N00-J15
Task 552 of 4096 (0,1,0,1,0,8) R1F-M0-N00-J15
Task 553 of 4096 (0,1,0,1,0,9) R1F-M0-N00-J15
Task 554 of 4096 (0,1,0,1,0,10) R1F-M0-N00-J15
Task 555 of 4096 (0,1,0,1,0,11) R1F-M0-N00-J15
Task 556 of 4096 (0,1,0,1,0,12) R1F-M0-N00-J15
Task 557 of 4096 (0,1,0,1,0,13) R1F-M0-N00-J15
Task 558 of 4096 (0,1,0,1,0,14) R1F-M0-N00-J15
Task 559 of 4096 (0,1,0,1,0,15) R1F-M0-N00-J15
Task 560 of 4096 (0,1,0,1,1,0) R1F-M0-N00-J08
Task 561 of 4096 (0,1,0,1,1,1) R1F-M0-N00-J08
Task 562 of 4096 (0,1,0,1,1,2) R1F-M0-N00-J08
Task 563 of 4096 (0,1,0,1,1,3) R1F-M0-N00-J08
Task 564 of 4096 (0,1,0,1,1,4) R1F-M0-N00-J08
Task 565 of 4096 (0,1,0,1,1,5) R1F-M0-N00-J08
Task 566 of 4096 (0,1,0,1,1,6) R1F-M0-N00-J08
Task 567 of 4096 (0,1,0,1,1,7) R1F-M0-N00-J08
Task 568 of 4096 (0,1,0,1,1,8) R1F-M0-N00-J08
Task 569 of 4096 (0,1,0,1,1,9) R1F-M0-N00-J08
Task 570 of 4096 (0,1,0,1,1,10) R1F-M0-N00-J08
Task 571 of 4096 (0,1,0,1,1,11) R1F-M0-N00-J08
Task 572 of 4096 (0,1,0,1,1,12) R1F-M0-N00-J08
Task 573 of 4096 (0,1,0,1,1,13) R1F-M0-N00-J08
Task 574 of 4096 (0,1,0,1,1,14) R1F-M0-N00-J08
Task 575 of 4096 (0,1,0,1,1,15) R1F-M0-N00-J08
Task 576 of 4096 (0,1,0,2,0,0) R1F-M0-N02-J15
Task 577 of 4096 (0,1,0,2,0,1) R1F-M0-N02-J15
Task 578 of 4096 (0,1,0,2,0,2) R1F-M0-N02-J15
Task 579 of 4096 (0,1,0,2,0,3) R1F-M0-N02-J15
Task 580 of 4096 (0,1,0,2,0,4) R1F-M0-N02-J15
Task 581 of 4096 (0,1,0,2,0,5) R1F-M0-N02-J15
Task 582 of 4096 (0,1,0,2,0,6) R1F-M0-N02-J15
Task 583 of 4096 (0,1,0,2,0,7) R1F-M0-N02-J15
Task 584 of 4096 (0,1,0,2,0,8) R1F-M0-N02-J15
Task 585 of 4096 (0,1,0,2,0,9) R1F-M0-N02-J15
Task 586 of 4096 (0,1,0,2,0,10) R1F-M0-N02-J15
Task 587 of 4096 (0,1,0,2,0,11) R1F-M0-N02-J15
Task 588 of 4096 (0,1,0,2,0,12) R1F-M0-N02-J15
Task 589 of 4096 (0,1,0,2,0,13) R1F-M0-N02-J15
Task 590 of 4096 (0,1,0,2,0,14) R1F-M0-N02-J15
Task 591 of 4096 (0,1,0,2,0,15) R1F-M0-N02-J15
Task 592 of 4096 (0,1,0,2,1,0) R1F-M0-N02-J08
Task 593 of 4096 (0,1,0,2,1,1) R1F-M0-N02-J08
Task 594 of 4096 (0,1,0,2,1,2) R1F-M0-N02-J08
Task 595 of 4096 (0,1,0,2,1,3) R1F-M0-N02-J08
Task 596 of 4096 (0,1,0,2,1,4) R1F-M0-N02-J08
Task 597 of 4096 (0,1,0,2,1,5) R1F-M0-N02-J08
Task 598 of 4096 (0,1,0,2,1,6) R1F-M0-N02-J08
Task 599 of 4096 (0,1,0,2,1,7) R1F-M0-N02-J08
Task 600 of 4096 (0,1,0,2,1,8) R1F-M0-N02-J08
Task 601 of 4096 (0,1,0,2,1,9) R1F-M0-N02-J08
Task 602 of 4096 (0,1,0,2,1,10) R1F-M0-N02-J08
Task 603 of 4096 (0,1,0,2,1,11) R1F-M0-N02-J08
Task 604 of 4096 (0,1,0,2,1,12) R1F-M0-N02-J08
Task 605 of 4096 (0,1,0,2,1,13) R1F-M0-N02-J08
Task 606 of 4096 (0,1,0,2,1,14) R1F-M0-N02-J08
Task 607 of 4096 (0,1,0,2,1,15) R1F-M0-N02-J08
Task 608 of 4096 (0,1,0,3,0,0) R1F-M0-N02-J03
Task 609 of 4096 (0,1,0,3,0,1) R1F-M0-N02-J03
Task 610 of 4096 (0,1,0,3,0,2) R1F-M0-N02-J03
Task 611 of 4096 (0,1,0,3,0,3) R1F-M0-N02-J03
Task 612 of 4096 (0,1,0,3,0,4) R1F-M0-N02-J03
Task 613 of 4096 (0,1,0,3,0,5) R1F-M0-N02-J03
Task 614 of 4096 (0,1,0,3,0,6) R1F-M0-N02-J03
Task 615 of 4096 (0,1,0,3,0,7) R1F-M0-N02-J03
Task 616 of 4096 (0,1,0,3,0,8) R1F-M0-N02-J03
Task 617 of 4096 (0,1,0,3,0,9) R1F-M0-N02-J03
Task 618 of 4096 (0,1,0,3,0,10) R1F-M0-N02-J03
Task 619 of 4096 (0,1,0,3,0,11) R1F-M0-N02-J03
Task 620 of 4096 (0,1,0,3,0,12) R1F-M0-N02-J03
Task 621 of 4096 (0,1,0,3,0,13) R1F-M0-N02-J03
Task 622 of 4096 (0,1,0,3,0,14) R1F-M0-N02-J03
Task 623 of 4096 (0,1,0,3,0,15) R1F-M0-N02-J03
Task 624 of 4096 (0,1,0,3,1,0) R1F-M0-N02-J04
Task 625 of 4096 (0,1,0,3,1,1) R1F-M0-N02-J04
Task 626 of 4096 (0,1,0,3,1,2) R1F-M0-N02-J04
Task 627 of 4096 (0,1,0,3,1,3) R1F-M0-N02-J04
Task 628 of 4096 (0,1,0,3,1,4) R1F-M0-N02-J04
Task 629 of 4096 (0,1,0,3,1,5) R1F-M0-N02-J04
Task 630 of 4096 (0,1,0,3,1,6) R1F-M0-N02-J04
Task 631 of 4096 (0,1,0,3,1,7) R1F-M0-N02-J04
Task 632 of 4096 (0,1,0,3,1,8) R1F-M0-N02-J04
Task 633 of 4096 (0,1,0,3,1,9) R1F-M0-N02-J04
Task 634 of 4096 (0,1,0,3,1,10) R1F-M0-N02-J04
Task 635 of 4096 (0,1,0,3,1,11) R1F-M0-N02-J04
Task 636 of 4096 (0,1,0,3,1,12) R1F-M0-N02-J04
Task 637 of 4096 (0,1,0,3,1,13) R1F-M0-N02-J04
Task 638 of 4096 (0,1,0,3,1,14) R1F-M0-N02-J04
Task 639 of 4096 (0,1,0,3,1,15) R1F-M0-N02-J04
Task 640 of 4096 (0,1,1,0,0,0) R1F-M0-N00-J02
Task 641 of 4096 (0,1,1,0,0,1) R1F-M0-N00-J02
Task 642 of 4096 (0,1,1,0,0,2) R1F-M0-N00-J02
Task 643 of 4096 (0,1,1,0,0,3) R1F-M0-N00-J02
Task 644 of 4096 (0,1,1,0,0,4) R1F-M0-N00-J02
Task 645 of 4096 (0,1,1,0,0,5) R1F-M0-N00-J02
Task 646 of 4096 (0,1,1,0,0,6) R1F-M0-N00-J02
Task 647 of 4096 (0,1,1,0,0,7) R1F-M0-N00-J02
Task 648 of 4096 (0,1,1,0,0,8) R1F-M0-N00-J02
Task 649 of 4096 (0,1,1,0,0,9) R1F-M0-N00-J02
Task 650 of 4096 (0,1,1,0,0,10) R1F-M0-N00-J02
Task 651 of 4096 (0,1,1,0,0,11) R1F-M0-N00-J02
Task 652 of 4096 (0,1,1,0,0,12) R1F-M0-N00-J02
Task 653 of 4096 (0,1,1,0,0,13) R1F-M0-N00-J02
Task 654 of 4096 (0,1,1,0,0,14) R1F-M0-N00-J02
Task 655 of 4096 (0,1,1,0,0,15) R1F-M0-N00-J02
Task 656 of 4096 (0,1,1,0,1,0) R1F-M0-N00-J05
Task 657 of 4096 (0,1,1,0,1,1) R1F-M0-N00-J05
Task 658 of 4096 (0,1,1,0,1,2) R1F-M0-N00-J05
Task 659 of 4096 (0,1,1,0,1,3) R1F-M0-N00-J05
Task 660 of 4096 (0,1,1,0,1,4) R1F-M0-N00-J05
Task 661 of 4096 (0,1,1,0,1,5) R1F-M0-N00-J05
Task 662 of 4096 (0,1,1,0,1,6) R1F-M0-N00-J05
Task 663 of 4096 (0,1,1,0,1,7) R1F-M0-N00-J05
Task 664 of 4096 (0,1,1,0,1,8) R1F-M0-N00-J05
Task 665 of 4096 (0,1,1,0,1,9) R1F-M0-N00-J05
Task 666 of 4096 (0,1,1,0,1,10) R1F-M0-N00-J05
Task 667 of 4096 (0,1,1,0,1,11) R1F-M0-N00-J05
Task 668 of 4096 (0,1,1,0,1,12) R1F-M0-N00-J05
Task 669 of 4096 (0,1,1,0,1,13) R1F-M0-N00-J05
Task 670 of 4096 (0,1,1,0,1,14) R1F-M0-N00-J05
Task 671 of 4096 (0,1,1,0,1,15) R1F-M0-N00-J05
Task 672 of 4096 (0,1,1,1,0,0) R1F-M0-N00-J14
Task 673 of 4096 (0,1,1,1,0,1) R1F-M0-N00-J14
Task 674 of 4096 (0,1,1,1,0,2) R1F-M0-N00-J14
Task 675 of 4096 (0,1,1,1,0,3) R1F-M0-N00-J14
Task 676 of 4096 (0,1,1,1,0,4) R1F-M0-N00-J14
Task 677 of 4096 (0,1,1,1,0,5) R1F-M0-N00-J14
Task 678 of 4096 (0,1,1,1,0,6) R1F-M0-N00-J14
Task 679 of 4096 (0,1,1,1,0,7) R1F-M0-N00-J14
Task 680 of 4096 (0,1,1,1,0,8) R1F-M0-N00-J14
Task 681 of 4096 (0,1,1,1,0,9) R1F-M0-N00-J14
Task 682 of 4096 (0,1,1,1,0,10) R1F-M0-N00-J14
Task 683 of 4096 (0,1,1,1,0,11) R1F-M0-N00-J14
Task 684 of 4096 (0,1,1,1,0,12) R1F-M0-N00-J14
Task 685 of 4096 (0,1,1,1,0,13) R1F-M0-N00-J14
Task 686 of 4096 (0,1,1,1,0,14) R1F-M0-N00-J14
Task 687 of 4096 (0,1,1,1,0,15) R1F-M0-N00-J14
Task 688 of 4096 (0,1,1,1,1,0) R1F-M0-N00-J09
Task 689 of 4096 (0,1,1,1,1,1) R1F-M0-N00-J09
Task 690 of 4096 (0,1,1,1,1,2) R1F-M0-N00-J09
Task 691 of 4096 (0,1,1,1,1,3) R1F-M0-N00-J09
Task 692 of 4096 (0,1,1,1,1,4) R1F-M0-N00-J09
Task 693 of 4096 (0,1,1,1,1,5) R1F-M0-N00-J09
Task 694 of 4096 (0,1,1,1,1,6) R1F-M0-N00-J09
Task 695 of 4096 (0,1,1,1,1,7) R1F-M0-N00-J09
Task 696 of 4096 (0,1,1,1,1,8) R1F-M0-N00-J09
Task 697 of 4096 (0,1,1,1,1,9) R1F-M0-N00-J09
Task 698 of 4096 (0,1,1,1,1,10) R1F-M0-N00-J09
Task 699 of 4096 (0,1,1,1,1,11) R1F-M0-N00-J09
Task 700 of 4096 (0,1,1,1,1,12) R1F-M0-N00-J09
Task 701 of 4096 (0,1,1,1,1,13) R1F-M0-N00-J09
Task 702 of 4096 (0,1,1,1,1,14) R1F-M0-N00-J09
Task 703 of 4096 (0,1,1,1,1,15) R1F-M0-N00-J09
Task 704 of 4096 (0,1,1,2,0,0) R1F-M0-N02-J14
Task 705 of 4096 (0,1,1,2,0,1) R1F-M0-N02-J14
Task 706 of 4096 (0,1,1,2,0,2) R1F-M0-N02-J14
Task 707 of 4096 (0,1,1,2,0,3) R1F-M0-N02-J14
Task 708 of 4096 (0,1,1,2,0,4) R1F-M0-N02-J14
Task 709 of 4096 (0,1,1,2,0,5) R1F-M0-N02-J14
Task 710 of 4096 (0,1,1,2,0,6) R1F-M0-N02-J14
Task 711 of 4096 (0,1,1,2,0,7) R1F-M0-N02-J14
Task 712 of 4096 (0,1,1,2,0,8) R1F-M0-N02-J14
Task 713 of 4096 (0,1,1,2,0,9) R1F-M0-N02-J14
Task 714 of 4096 (0,1,1,2,0,10) R1F-M0-N02-J14
Task 715 of 4096 (0,1,1,2,0,11) R1F-M0-N02-J14
Task 716 of 4096 (0,1,1,2,0,12) R1F-M0-N02-J14
Task 717 of 4096 (0,1,1,2,0,13) R1F-M0-N02-J14
Task 718 of 4096 (0,1,1,2,0,14) R1F-M0-N02-J14
Task 719 of 4096 (0,1,1,2,0,15) R1F-M0-N02-J14
Task 720 of 4096 (0,1,1,2,1,0) R1F-M0-N02-J09
Task 721 of 4096 (0,1,1,2,1,1) R1F-M0-N02-J09
Task 722 of 4096 (0,1,1,2,1,2) R1F-M0-N02-J09
Task 723 of 4096 (0,1,1,2,1,3) R1F-M0-N02-J09
Task 724 of 4096 (0,1,1,2,1,4) R1F-M0-N02-J09
Task 725 of 4096 (0,1,1,2,1,5) R1F-M0-N02-J09
Task 726 of 4096 (0,1,1,2,1,6) R1F-M0-N02-J09
Task 727 of 4096 (0,1,1,2,1,7) R1F-M0-N02-J09
Task 728 of 4096 (0,1,1,2,1,8) R1F-M0-N02-J09
Task 729 of 4096 (0,1,1,2,1,9) R1F-M0-N02-J09
Task 730 of 4096 (0,1,1,2,1,10) R1F-M0-N02-J09
Task 731 of 4096 (0,1,1,2,1,11) R1F-M0-N02-J09
Task 732 of 4096 (0,1,1,2,1,12) R1F-M0-N02-J09
Task 733 of 4096 (0,1,1,2,1,13) R1F-M0-N02-J09
Task 734 of 4096 (0,1,1,2,1,14) R1F-M0-N02-J09
Task 735 of 4096 (0,1,1,2,1,15) R1F-M0-N02-J09
Task 736 of 4096 (0,1,1,3,0,0) R1F-M0-N02-J02
Task 737 of 4096 (0,1,1,3,0,1) R1F-M0-N02-J02
Task 738 of 4096 (0,1,1,3,0,2) R1F-M0-N02-J02
Task 739 of 4096 (0,1,1,3,0,3) R1F-M0-N02-J02
Task 740 of 4096 (0,1,1,3,0,4) R1F-M0-N02-J02
Task 741 of 4096 (0,1,1,3,0,5) R1F-M0-N02-J02
Task 742 of 4096 (0,1,1,3,0,6) R1F-M0-N02-J02
Task 743 of 4096 (0,1,1,3,0,7) R1F-M0-N02-J02
Task 744 of 4096 (0,1,1,3,0,8) R1F-M0-N02-J02
Task 745 of 4096 (0,1,1,3,0,9) R1F-M0-N02-J02
Task 746 of 4096 (0,1,1,3,0,10) R1F-M0-N02-J02
Task 747 of 4096 (0,1,1,3,0,11) R1F-M0-N02-J02
Task 748 of 4096 (0,1,1,3,0,12) R1F-M0-N02-J02
Task 749 of 4096 (0,1,1,3,0,13) R1F-M0-N02-J02
Task 750 of 4096 (0,1,1,3,0,14) R1F-M0-N02-J02
Task 751 of 4096 (0,1,1,3,0,15) R1F-M0-N02-J02
Task 752 of 4096 (0,1,1,3,1,0) R1F-M0-N02-J05
Task 753 of 4096 (0,1,1,3,1,1) R1F-M0-N02-J05
Task 754 of 4096 (0,1,1,3,1,2) R1F-M0-N02-J05
Task 755 of 4096 (0,1,1,3,1,3) R1F-M0-N02-J05
Task 756 of 4096 (0,1,1,3,1,4) R1F-M0-N02-J05
Task 757 of 4096 (0,1,1,3,1,5) R1F-M0-N02-J05
Task 758 of 4096 (0,1,1,3,1,6) R1F-M0-N02-J05
Task 759 of 4096 (0,1,1,3,1,7) R1F-M0-N02-J05
Task 760 of 4096 (0,1,1,3,1,8) R1F-M0-N02-J05
Task 761 of 4096 (0,1,1,3,1,9) R1F-M0-N02-J05
Task 762 of 4096 (0,1,1,3,1,10) R1F-M0-N02-J05
Task 763 of 4096 (0,1,1,3,1,11) R1F-M0-N02-J05
Task 764 of 4096 (0,1,1,3,1,12) R1F-M0-N02-J05
Task 765 of 4096 (0,1,1,3,1,13) R1F-M0-N02-J05
Task 766 of 4096 (0,1,1,3,1,14) R1F-M0-N02-J05
Task 767 of 4096 (0,1,1,3,1,15) R1F-M0-N02-J05
Task 768 of 4096 (0,1,2,0,0,0) R1F-M0-N01-J02
Task 769 of 4096 (0,1,2,0,0,1) R1F-M0-N01-J02
Task 770 of 4096 (0,1,2,0,0,2) R1F-M0-N01-J02
Task 771 of 4096 (0,1,2,0,0,3) R1F-M0-N01-J02
Task 772 of 4096 (0,1,2,0,0,4) R1F-M0-N01-J02
Task 773 of 4096 (0,1,2,0,0,5) R1F-M0-N01-J02
Task 774 of 4096 (0,1,2,0,0,6) R1F-M0-N01-J02
Task 775 of 4096 (0,1,2,0,0,7) R1F-M0-N01-J02
Task 776 of 4096 (0,1,2,0,0,8) R1F-M0-N01-J02
Task 777 of 4096 (0,1,2,0,0,9) R1F-M0-N01-J02
Task 778 of 4096 (0,1,2,0,0,10) R1F-M0-N01-J02
Task 779 of 4096 (0,1,2,0,0,11) R1F-M0-N01-J02
Task 780 of 4096 (0,1,2,0,0,12) R1F-M0-N01-J02
Task 781 of 4096 (0,1,2,0,0,13) R1F-M0-N01-J02
Task 782 of 4096 (0,1,2,0,0,14) R1F-M0-N01-J02
Task 783 of 4096 (0,1,2,0,0,15) R1F-M0-N01-J02
Task 784 of 4096 (0,1,2,0,1,0) R1F-M0-N01-J05
Task 785 of 4096 (0,1,2,0,1,1) R1F-M0-N01-J05
Task 786 of 4096 (0,1,2,0,1,2) R1F-M0-N01-J05
Task 787 of 4096 (0,1,2,0,1,3) R1F-M0-N01-J05
Task 788 of 4096 (0,1,2,0,1,4) R1F-M0-N01-J05
Task 789 of 4096 (0,1,2,0,1,5) R1F-M0-N01-J05
Task 790 of 4096 (0,1,2,0,1,6) R1F-M0-N01-J05
Task 791 of 4096 (0,1,2,0,1,7) R1F-M0-N01-J05
Task 792 of 4096 (0,1,2,0,1,8) R1F-M0-N01-J05
Task 793 of 4096 (0,1,2,0,1,9) R1F-M0-N01-J05
Task 794 of 4096 (0,1,2,0,1,10) R1F-M0-N01-J05
Task 795 of 4096 (0,1,2,0,1,11) R1F-M0-N01-J05
Task 796 of 4096 (0,1,2,0,1,12) R1F-M0-N01-J05
Task 797 of 4096 (0,1,2,0,1,13) R1F-M0-N01-J05
Task 798 of 4096 (0,1,2,0,1,14) R1F-M0-N01-J05
Task 799 of 4096 (0,1,2,0,1,15) R1F-M0-N01-J05
Task 800 of 4096 (0,1,2,1,0,0) R1F-M0-N01-J14
Task 801 of 4096 (0,1,2,1,0,1) R1F-M0-N01-J14
Task 802 of 4096 (0,1,2,1,0,2) R1F-M0-N01-J14
Task 803 of 4096 (0,1,2,1,0,3) R1F-M0-N01-J14
Task 804 of 4096 (0,1,2,1,0,4) R1F-M0-N01-J14
Task 805 of 4096 (0,1,2,1,0,5) R1F-M0-N01-J14
Task 806 of 4096 (0,1,2,1,0,6) R1F-M0-N01-J14
Task 807 of 4096 (0,1,2,1,0,7) R1F-M0-N01-J14
Task 808 of 4096 (0,1,2,1,0,8) R1F-M0-N01-J14
Task 809 of 4096 (0,1,2,1,0,9) R1F-M0-N01-J14
Task 810 of 4096 (0,1,2,1,0,10) R1F-M0-N01-J14
Task 811 of 4096 (0,1,2,1,0,11) R1F-M0-N01-J14
Task 812 of 4096 (0,1,2,1,0,12) R1F-M0-N01-J14
Task 813 of 4096 (0,1,2,1,0,13) R1F-M0-N01-J14
Task 814 of 4096 (0,1,2,1,0,14) R1F-M0-N01-J14
Task 815 of 4096 (0,1,2,1,0,15) R1F-M0-N01-J14
Task 816 of 4096 (0,1,2,1,1,0) R1F-M0-N01-J09
Task 817 of 4096 (0,1,2,1,1,1) R1F-M0-N01-J09
Task 818 of 4096 (0,1,2,1,1,2) R1F-M0-N01-J09
Task 819 of 4096 (0,1,2,1,1,3) R1F-M0-N01-J09
Task 820 of 4096 (0,1,2,1,1,4) R1F-M0-N01-J09
Task 821 of 4096 (0,1,2,1,1,5) R1F-M0-N01-J09
Task 822 of 4096 (0,1,2,1,1,6) R1F-M0-N01-J09
Task 823 of 4096 (0,1,2,1,1,7) R1F-M0-N01-J09
Task 824 of 4096 (0,1,2,1,1,8) R1F-M0-N01-J09
Task 825 of 4096 (0,1,2,1,1,9) R1F-M0-N01-J09
Task 826 of 4096 (0,1,2,1,1,10) R1F-M0-N01-J09
Task 827 of 4096 (0,1,2,1,1,11) R1F-M0-N01-J09
Task 828 of 4096 (0,1,2,1,1,12) R1F-M0-N01-J09
Task 829 of 4096 (0,1,2,1,1,13) R1F-M0-N01-J09
Task 830 of 4096 (0,1,2,1,1,14) R1F-M0-N01-J09
Task 831 of 4096 (0,1,2,1,1,15) R1F-M0-N01-J09
Task 832 of 4096 (0,1,2,2,0,0) R1F-M0-N03-J14
Task 833 of 4096 (0,1,2,2,0,1) R1F-M0-N03-J14
Task 834 of 4096 (0,1,2,2,0,2) R1F-M0-N03-J14
Task 835 of 4096 (0,1,2,2,0,3) R1F-M0-N03-J14
Task 836 of 4096 (0,1,2,2,0,4) R1F-M0-N03-J14
Task 837 of 4096 (0,1,2,2,0,5) R1F-M0-N03-J14
Task 838 of 4096 (0,1,2,2,0,6) R1F-M0-N03-J14
Task 839 of 4096 (0,1,2,2,0,7) R1F-M0-N03-J14
Task 840 of 4096 (0,1,2,2,0,8) R1F-M0-N03-J14
Task 841 of 4096 (0,1,2,2,0,9) R1F-M0-N03-J14
Task 842 of 4096 (0,1,2,2,0,10) R1F-M0-N03-J14
Task 843 of 4096 (0,1,2,2,0,11) R1F-M0-N03-J14
Task 844 of 4096 (0,1,2,2,0,12) R1F-M0-N03-J14
Task 845 of 4096 (0,1,2,2,0,13) R1F-M0-N03-J14
Task 846 of 4096 (0,1,2,2,0,14) R1F-M0-N03-J14
Task 847 of 4096 (0,1,2,2,0,15) R1F-M0-N03-J14
Task 848 of 4096 (0,1,2,2,1,0) R1F-M0-N03-J09
Task 849 of 4096 (0,1,2,2,1,1) R1F-M0-N03-J09
Task 850 of 4096 (0,1,2,2,1,2) R1F-M0-N03-J09
Task 851 of 4096 (0,1,2,2,1,3) R1F-M0-N03-J09
Task 852 of 4096 (0,1,2,2,1,4) R1F-M0-N03-J09
Task 853 of 4096 (0,1,2,2,1,5) R1F-M0-N03-J09
Task 854 of 4096 (0,1,2,2,1,6) R1F-M0-N03-J09
Task 855 of 4096 (0,1,2,2,1,7) R1F-M0-N03-J09
Task 856 of 4096 (0,1,2,2,1,8) R1F-M0-N03-J09
Task 857 of 4096 (0,1,2,2,1,9) R1F-M0-N03-J09
Task 858 of 4096 (0,1,2,2,1,10) R1F-M0-N03-J09
Task 859 of 4096 (0,1,2,2,1,11) R1F-M0-N03-J09
Task 860 of 4096 (0,1,2,2,1,12) R1F-M0-N03-J09
Task 861 of 4096 (0,1,2,2,1,13) R1F-M0-N03-J09
Task 862 of 4096 (0,1,2,2,1,14) R1F-M0-N03-J09
Task 863 of 4096 (0,1,2,2,1,15) R1F-M0-N03-J09
Task 864 of 4096 (0,1,2,3,0,0) R1F-M0-N03-J02
Task 865 of 4096 (0,1,2,3,0,1) R1F-M0-N03-J02
Task 866 of 4096 (0,1,2,3,0,2) R1F-M0-N03-J02
Task 867 of 4096 (0,1,2,3,0,3) R1F-M0-N03-J02
Task 868 of 4096 (0,1,2,3,0,4) R1F-M0-N03-J02
Task 869 of 4096 (0,1,2,3,0,5) R1F-M0-N03-J02
Task 870 of 4096 (0,1,2,3,0,6) R1F-M0-N03-J02
Task 871 of 4096 (0,1,2,3,0,7) R1F-M0-N03-J02
Task 872 of 4096 (0,1,2,3,0,8) R1F-M0-N03-J02
Task 873 of 4096 (0,1,2,3,0,9) R1F-M0-N03-J02
Task 874 of 4096 (0,1,2,3,0,10) R1F-M0-N03-J02
Task 875 of 4096 (0,1,2,3,0,11) R1F-M0-N03-J02
Task 876 of 4096 (0,1,2,3,0,12) R1F-M0-N03-J02
Task 877 of 4096 (0,1,2,3,0,13) R1F-M0-N03-J02
Task 878 of 4096 (0,1,2,3,0,14) R1F-M0-N03-J02
Task 879 of 4096 (0,1,2,3,0,15) R1F-M0-N03-J02
Task 880 of 4096 (0,1,2,3,1,0) R1F-M0-N03-J05
Task 881 of 4096 (0,1,2,3,1,1) R1F-M0-N03-J05
Task 882 of 4096 (0,1,2,3,1,2) R1F-M0-N03-J05
Task 883 of 4096 (0,1,2,3,1,3) R1F-M0-N03-J05
Task 884 of 4096 (0,1,2,3,1,4) R1F-M0-N03-J05
Task 885 of 4096 (0,1,2,3,1,5) R1F-M0-N03-J05
Task 886 of 4096 (0,1,2,3,1,6) R1F-M0-N03-J05
Task 887 of 4096 (0,1,2,3,1,7) R1F-M0-N03-J05
Task 888 of 4096 (0,1,2,3,1,8) R1F-M0-N03-J05
Task 889 of 4096 (0,1,2,3,1,9) R1F-M0-N03-J05
Task 890 of 4096 (0,1,2,3,1,10) R1F-M0-N03-J05
Task 891 of 4096 (0,1,2,3,1,11) R1F-M0-N03-J05
Task 892 of 4096 (0,1,2,3,1,12) R1F-M0-N03-J05
Task 893 of 4096 (0,1,2,3,1,13) R1F-M0-N03-J05
Task 894 of 4096 (0,1,2,3,1,14) R1F-M0-N03-J05
Task 895 of 4096 (0,1,2,3,1,15) R1F-M0-N03-J05
Task 896 of 4096 (0,1,3,0,0,0) R1F-M0-N01-J03
Task 897 of 4096 (0,1,3,0,0,1) R1F-M0-N01-J03
Task 898 of 4096 (0,1,3,0,0,2) R1F-M0-N01-J03
Task 899 of 4096 (0,1,3,0,0,3) R1F-M0-N01-J03
Task 900 of 4096 (0,1,3,0,0,4) R1F-M0-N01-J03
Task 901 of 4096 (0,1,3,0,0,5) R1F-M0-N01-J03
Task 902 of 4096 (0,1,3,0,0,6) R1F-M0-N01-J03
Task 903 of 4096 (0,1,3,0,0,7) R1F-M0-N01-J03
Task 904 of 4096 (0,1,3,0,0,8) R1F-M0-N01-J03
Task 905 of 4096 (0,1,3,0,0,9) R1F-M0-N01-J03
Task 906 of 4096 (0,1,3,0,0,10) R1F-M0-N01-J03
Task 907 of 4096 (0,1,3,0,0,11) R1F-M0-N01-J03
Task 908 of 4096 (0,1,3,0,0,12) R1F-M0-N01-J03
Task 909 of 4096 (0,1,3,0,0,13) R1F-M0-N01-J03
Task 910 of 4096 (0,1,3,0,0,14) R1F-M0-N01-J03
Task 911 of 4096 (0,1,3,0,0,15) R1F-M0-N01-J03
Task 912 of 4096 (0,1,3,0,1,0) R1F-M0-N01-J04
Task 913 of 4096 (0,1,3,0,1,1) R1F-M0-N01-J04
Task 914 of 4096 (0,1,3,0,1,2) R1F-M0-N01-J04
Task 915 of 4096 (0,1,3,0,1,3) R1F-M0-N01-J04
Task 916 of 4096 (0,1,3,0,1,4) R1F-M0-N01-J04
Task 917 of 4096 (0,1,3,0,1,5) R1F-M0-N01-J04
Task 918 of 4096 (0,1,3,0,1,6) R1F-M0-N01-J04
Task 919 of 4096 (0,1,3,0,1,7) R1F-M0-N01-J04
Task 920 of 4096 (0,1,3,0,1,8) R1F-M0-N01-J04
Task 921 of 4096 (0,1,3,0,1,9) R1F-M0-N01-J04
Task 922 of 4096 (0,1,3,0,1,10) R1F-M0-N01-J04
Task 923 of 4096 (0,1,3,0,1,11) R1F-M0-N01-J04
Task 924 of 4096 (0,1,3,0,1,12) R1F-M0-N01-J04
Task 925 of 4096 (0,1,3,0,1,13) R1F-M0-N01-J04
Task 926 of 4096 (0,1,3,0,1,14) R1F-M0-N01-J04
Task 927 of 4096 (0,1,3,0,1,15) R1F-M0-N01-J04
Task 928 of 4096 (0,1,3,1,0,0) R1F-M0-N01-J15
Task 929 of 4096 (0,1,3,1,0,1) R1F-M0-N01-J15
Task 930 of 4096 (0,1,3,1,0,2) R1F-M0-N01-J15
Task 931 of 4096 (0,1,3,1,0,3) R1F-M0-N01-J15
Task 932 of 4096 (0,1,3,1,0,4) R1F-M0-N01-J15
Task 933 of 4096 (0,1,3,1,0,5) R1F-M0-N01-J15
Task 934 of 4096 (0,1,3,1,0,6) R1F-M0-N01-J15
Task 935 of 4096 (0,1,3,1,0,7) R1F-M0-N01-J15
Task 936 of 4096 (0,1,3,1,0,8) R1F-M0-N01-J15
Task 937 of 4096 (0,1,3,1,0,9) R1F-M0-N01-J15
Task 938 of 4096 (0,1,3,1,0,10) R1F-M0-N01-J15
Task 939 of 4096 (0,1,3,1,0,11) R1F-M0-N01-J15
Task 940 of 4096 (0,1,3,1,0,12) R1F-M0-N01-J15
Task 941 of 4096 (0,1,3,1,0,13) R1F-M0-N01-J15
Task 942 of 4096 (0,1,3,1,0,14) R1F-M0-N01-J15
Task 943 of 4096 (0,1,3,1,0,15) R1F-M0-N01-J15
Task 944 of 4096 (0,1,3,1,1,0) R1F-M0-N01-J08
Task 945 of 4096 (0,1,3,1,1,1) R1F-M0-N01-J08
Task 946 of 4096 (0,1,3,1,1,2) R1F-M0-N01-J08
Task 947 of 4096 (0,1,3,1,1,3) R1F-M0-N01-J08
Task 948 of 4096 (0,1,3,1,1,4) R1F-M0-N01-J08
Task 949 of 4096 (0,1,3,1,1,5) R1F-M0-N01-J08
Task 950 of 4096 (0,1,3,1,1,6) R1F-M0-N01-J08
Task 951 of 4096 (0,1,3,1,1,7) R1F-M0-N01-J08
Task 952 of 4096 (0,1,3,1,1,8) R1F-M0-N01-J08
Task 953 of 4096 (0,1,3,1,1,9) R1F-M0-N01-J08
Task 954 of 4096 (0,1,3,1,1,10) R1F-M0-N01-J08
Task 955 of 4096 (0,1,3,1,1,11) R1F-M0-N01-J08
Task 956 of 4096 (0,1,3,1,1,12) R1F-M0-N01-J08
Task 957 of 4096 (0,1,3,1,1,13) R1F-M0-N01-J08
Task 958 of 4096 (0,1,3,1,1,14) R1F-M0-N01-J08
Task 959 of 4096 (0,1,3,1,1,15) R1F-M0-N01-J08
Task 960 of 4096 (0,1,3,2,0,0) R1F-M0-N03-J15
Task 961 of 4096 (0,1,3,2,0,1) R1F-M0-N03-J15
Task 962 of 4096 (0,1,3,2,0,2) R1F-M0-N03-J15
Task 963 of 4096 (0,1,3,2,0,3) R1F-M0-N03-J15
Task 964 of 4096 (0,1,3,2,0,4) R1F-M0-N03-J15
Task 965 of 4096 (0,1,3,2,0,5) R1F-M0-N03-J15
Task 966 of 4096 (0,1,3,2,0,6) R1F-M0-N03-J15
Task 967 of 4096 (0,1,3,2,0,7) R1F-M0-N03-J15
Task 968 of 4096 (0,1,3,2,0,8) R1F-M0-N03-J15
Task 969 of 4096 (0,1,3,2,0,9) R1F-M0-N03-J15
Task 970 of 4096 (0,1,3,2,0,10) R1F-M0-N03-J15
Task 971 of 4096 (0,1,3,2,0,11) R1F-M0-N03-J15
Task 972 of 4096 (0,1,3,2,0,12) R1F-M0-N03-J15
Task 973 of 4096 (0,1,3,2,0,13) R1F-M0-N03-J15
Task 974 of 4096 (0,1,3,2,0,14) R1F-M0-N03-J15
Task 975 of 4096 (0,1,3,2,0,15) R1F-M0-N03-J15
Task 976 of 4096 (0,1,3,2,1,0) R1F-M0-N03-J08
Task 977 of 4096 (0,1,3,2,1,1) R1F-M0-N03-J08
Task 978 of 4096 (0,1,3,2,1,2) R1F-M0-N03-J08
Task 979 of 4096 (0,1,3,2,1,3) R1F-M0-N03-J08
Task 980 of 4096 (0,1,3,2,1,4) R1F-M0-N03-J08
Task 981 of 4096 (0,1,3,2,1,5) R1F-M0-N03-J08
Task 982 of 4096 (0,1,3,2,1,6) R1F-M0-N03-J08
Task 983 of 4096 (0,1,3,2,1,7) R1F-M0-N03-J08
Task 984 of 4096 (0,1,3,2,1,8) R1F-M0-N03-J08
Task 985 of 4096 (0,1,3,2,1,9) R1F-M0-N03-J08
Task 986 of 4096 (0,1,3,2,1,10) R1F-M0-N03-J08
Task 987 of 4096 (0,1,3,2,1,11) R1F-M0-N03-J08
Task 988 of 4096 (0,1,3,2,1,12) R1F-M0-N03-J08
Task 989 of 4096 (0,1,3,2,1,13) R1F-M0-N03-J08
Task 990 of 4096 (0,1,3,2,1,14) R1F-M0-N03-J08
Task 991 of 4096 (0,1,3,2,1,15) R1F-M0-N03-J08
Task 992 of 4096 (0,1,3,3,0,0) R1F-M0-N03-J03
Task 993 of 4096 (0,1,3,3,0,1) R1F-M0-N03-J03
Task 994 of 4096 (0,1,3,3,0,2) R1F-M0-N03-J03
Task 995 of 4096 (0,1,3,3,0,3) R1F-M0-N03-J03
Task 996 of 4096 (0,1,3,3,0,4) R1F-M0-N03-J03
Task 997 of 4096 (0,1,3,3,0,5) R1F-M0-N03-J03
Task 998 of 4096 (0,1,3,3,0,6) R1F-M0-N03-J03
Task 999 of 4096 (0,1,3,3,0,7) R1F-M0-N03-J03
Task 1000 of 4096 (0,1,3,3,0,8) R1F-M0-N03-J03
Task 1001 of 4096 (0,1,3,3,0,9) R1F-M0-N03-J03
Task 1002 of 4096 (0,1,3,3,0,10) R1F-M0-N03-J03
Task 1003 of 4096 (0,1,3,3,0,11) R1F-M0-N03-J03
Task 1004 of 4096 (0,1,3,3,0,12) R1F-M0-N03-J03
Task 1005 of 4096 (0,1,3,3,0,13) R1F-M0-N03-J03
Task 1006 of 4096 (0,1,3,3,0,14) R1F-M0-N03-J03
Task 1007 of 4096 (0,1,3,3,0,15) R1F-M0-N03-J03
Task 1008 of 4096 (0,1,3,3,1,0) R1F-M0-N03-J04
Task 1009 of 4096 (0,1,3,3,1,1) R1F-M0-N03-J04
Task 1010 of 4096 (0,1,3,3,1,2) R1F-M0-N03-J04
Task 1011 of 4096 (0,1,3,3,1,3) R1F-M0-N03-J04
Task 1012 of 4096 (0,1,3,3,1,4) R1F-M0-N03-J04
Task 1013 of 4096 (0,1,3,3,1,5) R1F-M0-N03-J04
Task 1014 of 4096 (0,1,3,3,1,6) R1F-M0-N03-J04
Task 1015 of 4096 (0,1,3,3,1,7) R1F-M0-N03-J04
Task 1016 of 4096 (0,1,3,3,1,8) R1F-M0-N03-J04
Task 1017 of 4096 (0,1,3,3,1,9) R1F-M0-N03-J04
Task 1018 of 4096 (0,1,3,3,1,10) R1F-M0-N03-J04
Task 1019 of 4096 (0,1,3,3,1,11) R1F-M0-N03-J04
Task 1020 of 4096 (0,1,3,3,1,12) R1F-M0-N03-J04
Task 1021 of 4096 (0,1,3,3,1,13) R1F-M0-N03-J04
Task 1022 of 4096 (0,1,3,3,1,14) R1F-M0-N03-J04
Task 1023 of 4096 (0,1,3,3,1,15) R1F-M0-N03-J04
Task 1024 of 4096 (1,0,0,0,0,0) R1F-M0-N00-J29
Task 1025 of 4096 (1,0,0,0,0,1) R1F-M0-N00-J29
Task 1026 of 4096 (1,0,0,0,0,2) R1F-M0-N00-J29
Task 1027 of 4096 (1,0,0,0,0,3) R1F-M0-N00-J29
Task 1028 of 4096 (1,0,0,0,0,4) R1F-M0-N00-J29
Task 1029 of 4096 (1,0,0,0,0,5) R1F-M0-N00-J29
Task 1030 of 4096 (1,0,0,0,0,6) R1F-M0-N00-J29
Task 1031 of 4096 (1,0,0,0,0,7) R1F-M0-N00-J29
Task 1032 of 4096 (1,0,0,0,0,8) R1F-M0-N00-J29
Task 1033 of 4096 (1,0,0,0,0,9) R1F-M0-N00-J29
Task 1034 of 4096 (1,0,0,0,0,10) R1F-M0-N00-J29
Task 1035 of 4096 (1,0,0,0,0,11) R1F-M0-N00-J29
Task 1036 of 4096 (1,0,0,0,0,12) R1F-M0-N00-J29
Task 1037 of 4096 (1,0,0,0,0,13) R1F-M0-N00-J29
Task 1038 of 4096 (1,0,0,0,0,14) R1F-M0-N00-J29
Task 1039 of 4096 (1,0,0,0,0,15) R1F-M0-N00-J29
Task 1040 of 4096 (1,0,0,0,1,0) R1F-M0-N00-J26
Task 1041 of 4096 (1,0,0,0,1,1) R1F-M0-N00-J26
Task 1042 of 4096 (1,0,0,0,1,2) R1F-M0-N00-J26
Task 1043 of 4096 (1,0,0,0,1,3) R1F-M0-N00-J26
Task 1044 of 4096 (1,0,0,0,1,4) R1F-M0-N00-J26
Task 1045 of 4096 (1,0,0,0,1,5) R1F-M0-N00-J26
Task 1046 of 4096 (1,0,0,0,1,6) R1F-M0-N00-J26
Task 1047 of 4096 (1,0,0,0,1,7) R1F-M0-N00-J26
Task 1048 of 4096 (1,0,0,0,1,8) R1F-M0-N00-J26
Task 1049 of 4096 (1,0,0,0,1,9) R1F-M0-N00-J26
Task 1050 of 4096 (1,0,0,0,1,10) R1F-M0-N00-J26
Task 1051 of 4096 (1,0,0,0,1,11) R1F-M0-N00-J26
Task 1052 of 4096 (1,0,0,0,1,12) R1F-M0-N00-J26
Task 1053 of 4096 (1,0,0,0,1,13) R1F-M0-N00-J26
Task 1054 of 4096 (1,0,0,0,1,14) R1F-M0-N00-J26
Task 1055 of 4096 (1,0,0,0,1,15) R1F-M0-N00-J26
Task 1056 of 4096 (1,0,0,1,0,0) R1F-M0-N00-J17
Task 1057 of 4096 (1,0,0,1,0,1) R1F-M0-N00-J17
Task 1058 of 4096 (1,0,0,1,0,2) R1F-M0-N00-J17
Task 1059 of 4096 (1,0,0,1,0,3) R1F-M0-N00-J17
Task 1060 of 4096 (1,0,0,1,0,4) R1F-M0-N00-J17
Task 1061 of 4096 (1,0,0,1,0,5) R1F-M0-N00-J17
Task 1062 of 4096 (1,0,0,1,0,6) R1F-M0-N00-J17
Task 1063 of 4096 (1,0,0,1,0,7) R1F-M0-N00-J17
Task 1064 of 4096 (1,0,0,1,0,8) R1F-M0-N00-J17
Task 1065 of 4096 (1,0,0,1,0,9) R1F-M0-N00-J17
Task 1066 of 4096 (1,0,0,1,0,10) R1F-M0-N00-J17
Task 1067 of 4096 (1,0,0,1,0,11) R1F-M0-N00-J17
Task 1068 of 4096 (1,0,0,1,0,12) R1F-M0-N00-J17
Task 1069 of 4096 (1,0,0,1,0,13) R1F-M0-N00-J17
Task 1070 of 4096 (1,0,0,1,0,14) R1F-M0-N00-J17
Task 1071 of 4096 (1,0,0,1,0,15) R1F-M0-N00-J17
Task 1072 of 4096 (1,0,0,1,1,0) R1F-M0-N00-J22
Task 1073 of 4096 (1,0,0,1,1,1) R1F-M0-N00-J22
Task 1074 of 4096 (1,0,0,1,1,2) R1F-M0-N00-J22
Task 1075 of 4096 (1,0,0,1,1,3) R1F-M0-N00-J22
Task 1076 of 4096 (1,0,0,1,1,4) R1F-M0-N00-J22
Task 1077 of 4096 (1,0,0,1,1,5) R1F-M0-N00-J22
Task 1078 of 4096 (1,0,0,1,1,6) R1F-M0-N00-J22
Task 1079 of 4096 (1,0,0,1,1,7) R1F-M0-N00-J22
Task 1080 of 4096 (1,0,0,1,1,8) R1F-M0-N00-J22
Task 1081 of 4096 (1,0,0,1,1,9) R1F-M0-N00-J22
Task 1082 of 4096 (1,0,0,1,1,10) R1F-M0-N00-J22
Task 1083 of 4096 (1,0,0,1,1,11) R1F-M0-N00-J22
Task 1084 of 4096 (1,0,0,1,1,12) R1F-M0-N00-J22
Task 1085 of 4096 (1,0,0,1,1,13) R1F-M0-N00-J22
Task 1086 of 4096 (1,0,0,1,1,14) R1F-M0-N00-J22
Task 1087 of 4096 (1,0,0,1,1,15) R1F-M0-N00-J22
Task 1088 of 4096 (1,0,0,2,0,0) R1F-M0-N02-J17
Task 1089 of 4096 (1,0,0,2,0,1) R1F-M0-N02-J17
Task 1090 of 4096 (1,0,0,2,0,2) R1F-M0-N02-J17
Task 1091 of 4096 (1,0,0,2,0,3) R1F-M0-N02-J17
Task 1092 of 4096 (1,0,0,2,0,4) R1F-M0-N02-J17
Task 1093 of 4096 (1,0,0,2,0,5) R1F-M0-N02-J17
Task 1094 of 4096 (1,0,0,2,0,6) R1F-M0-N02-J17
Task 1095 of 4096 (1,0,0,2,0,7) R1F-M0-N02-J17
Task 1096 of 4096 (1,0,0,2,0,8) R1F-M0-N02-J17
Task 1097 of 4096 (1,0,0,2,0,9) R1F-M0-N02-J17
Task 1098 of 4096 (1,0,0,2,0,10) R1F-M0-N02-J17
Task 1099 of 4096 (1,0,0,2,0,11) R1F-M0-N02-J17
Task 1100 of 4096 (1,0,0,2,0,12) R1F-M0-N02-J17
Task 1101 of 4096 (1,0,0,2,0,13) R1F-M0-N02-J17
Task 1102 of 4096 (1,0,0,2,0,14) R1F-M0-N02-J17
Task 1103 of 4096 (1,0,0,2,0,15) R1F-M0-N02-J17
Task 1104 of 4096 (1,0,0,2,1,0) R1F-M0-N02-J22
Task 1105 of 4096 (1,0,0,2,1,1) R1F-M0-N02-J22
Task 1106 of 4096 (1,0,0,2,1,2) R1F-M0-N02-J22
Task 1107 of 4096 (1,0,0,2,1,3) R1F-M0-N02-J22
Task 1108 of 4096 (1,0,0,2,1,4) R1F-M0-N02-J22
Task 1109 of 4096 (1,0,0,2,1,5) R1F-M0-N02-J22
Task 1110 of 4096 (1,0,0,2,1,6) R1F-M0-N02-J22
Task 1111 of 4096 (1,0,0,2,1,7) R1F-M0-N02-J22
Task 1112 of 4096 (1,0,0,2,1,8) R1F-M0-N02-J22
Task 1113 of 4096 (1,0,0,2,1,9) R1F-M0-N02-J22
Task 1114 of 4096 (1,0,0,2,1,10) R1F-M0-N02-J22
Task 1115 of 4096 (1,0,0,2,1,11) R1F-M0-N02-J22
Task 1116 of 4096 (1,0,0,2,1,12) R1F-M0-N02-J22
Task 1117 of 4096 (1,0,0,2,1,13) R1F-M0-N02-J22
Task 1118 of 4096 (1,0,0,2,1,14) R1F-M0-N02-J22
Task 1119 of 4096 (1,0,0,2,1,15) R1F-M0-N02-J22
Task 1120 of 4096 (1,0,0,3,0,0) R1F-M0-N02-J29
Task 1121 of 4096 (1,0,0,3,0,1) R1F-M0-N02-J29
Task 1122 of 4096 (1,0,0,3,0,2) R1F-M0-N02-J29
Task 1123 of 4096 (1,0,0,3,0,3) R1F-M0-N02-J29
Task 1124 of 4096 (1,0,0,3,0,4) R1F-M0-N02-J29
Task 1125 of 4096 (1,0,0,3,0,5) R1F-M0-N02-J29
Task 1126 of 4096 (1,0,0,3,0,6) R1F-M0-N02-J29
Task 1127 of 4096 (1,0,0,3,0,7) R1F-M0-N02-J29
Task 1128 of 4096 (1,0,0,3,0,8) R1F-M0-N02-J29
Task 1129 of 4096 (1,0,0,3,0,9) R1F-M0-N02-J29
Task 1130 of 4096 (1,0,0,3,0,10) R1F-M0-N02-J29
Task 1131 of 4096 (1,0,0,3,0,11) R1F-M0-N02-J29
Task 1132 of 4096 (1,0,0,3,0,12) R1F-M0-N02-J29
Task 1133 of 4096 (1,0,0,3,0,13) R1F-M0-N02-J29
Task 1134 of 4096 (1,0,0,3,0,14) R1F-M0-N02-J29
Task 1135 of 4096 (1,0,0,3,0,15) R1F-M0-N02-J29
Task 1136 of 4096 (1,0,0,3,1,0) R1F-M0-N02-J26
Task 1137 of 4096 (1,0,0,3,1,1) R1F-M0-N02-J26
Task 1138 of 4096 (1,0,0,3,1,2) R1F-M0-N02-J26
Task 1139 of 4096 (1,0,0,3,1,3) R1F-M0-N02-J26
Task 1140 of 4096 (1,0,0,3,1,4) R1F-M0-N02-J26
Task 1141 of 4096 (1,0,0,3,1,5) R1F-M0-N02-J26
Task 1142 of 4096 (1,0,0,3,1,6) R1F-M0-N02-J26
Task 1143 of 4096 (1,0,0,3,1,7) R1F-M0-N02-J26
Task 1144 of 4096 (1,0,0,3,1,8) R1F-M0-N02-J26
Task 1145 of 4096 (1,0,0,3,1,9) R1F-M0-N02-J26
Task 1146 of 4096 (1,0,0,3,1,10) R1F-M0-N02-J26
Task 1147 of 4096 (1,0,0,3,1,11) R1F-M0-N02-J26
Task 1148 of 4096 (1,0,0,3,1,12) R1F-M0-N02-J26
Task 1149 of 4096 (1,0,0,3,1,13) R1F-M0-N02-J26
Task 1150 of 4096 (1,0,0,3,1,14) R1F-M0-N02-J26
Task 1151 of 4096 (1,0,0,3,1,15) R1F-M0-N02-J26
Task 1152 of 4096 (1,0,1,0,0,0) R1F-M0-N00-J28
Task 1153 of 4096 (1,0,1,0,0,1) R1F-M0-N00-J28
Task 1154 of 4096 (1,0,1,0,0,2) R1F-M0-N00-J28
Task 1155 of 4096 (1,0,1,0,0,3) R1F-M0-N00-J28
Task 1156 of 4096 (1,0,1,0,0,4) R1F-M0-N00-J28
Task 1157 of 4096 (1,0,1,0,0,5) R1F-M0-N00-J28
Task 1158 of 4096 (1,0,1,0,0,6) R1F-M0-N00-J28
Task 1159 of 4096 (1,0,1,0,0,7) R1F-M0-N00-J28
Task 1160 of 4096 (1,0,1,0,0,8) R1F-M0-N00-J28
Task 1161 of 4096 (1,0,1,0,0,9) R1F-M0-N00-J28
Task 1162 of 4096 (1,0,1,0,0,10) R1F-M0-N00-J28
Task 1163 of 4096 (1,0,1,0,0,11) R1F-M0-N00-J28
Task 1164 of 4096 (1,0,1,0,0,12) R1F-M0-N00-J28
Task 1165 of 4096 (1,0,1,0,0,13) R1F-M0-N00-J28
Task 1166 of 4096 (1,0,1,0,0,14) R1F-M0-N00-J28
Task 1167 of 4096 (1,0,1,0,0,15) R1F-M0-N00-J28
Task 1168 of 4096 (1,0,1,0,1,0) R1F-M0-N00-J27
Task 1169 of 4096 (1,0,1,0,1,1) R1F-M0-N00-J27
Task 1170 of 4096 (1,0,1,0,1,2) R1F-M0-N00-J27
Task 1171 of 4096 (1,0,1,0,1,3) R1F-M0-N00-J27
Task 1172 of 4096 (1,0,1,0,1,4) R1F-M0-N00-J27
Task 1173 of 4096 (1,0,1,0,1,5) R1F-M0-N00-J27
Task 1174 of 4096 (1,0,1,0,1,6) R1F-M0-N00-J27
Task 1175 of 4096 (1,0,1,0,1,7) R1F-M0-N00-J27
Task 1176 of 4096 (1,0,1,0,1,8) R1F-M0-N00-J27
Task 1177 of 4096 (1,0,1,0,1,9) R1F-M0-N00-J27
Task 1178 of 4096 (1,0,1,0,1,10) R1F-M0-N00-J27
Task 1179 of 4096 (1,0,1,0,1,11) R1F-M0-N00-J27
Task 1180 of 4096 (1,0,1,0,1,12) R1F-M0-N00-J27
Task 1181 of 4096 (1,0,1,0,1,13) R1F-M0-N00-J27
Task 1182 of 4096 (1,0,1,0,1,14) R1F-M0-N00-J27
Task 1183 of 4096 (1,0,1,0,1,15) R1F-M0-N00-J27
Task 1184 of 4096 (1,0,1,1,0,0) R1F-M0-N00-J16
Task 1185 of 4096 (1,0,1,1,0,1) R1F-M0-N00-J16
Task 1186 of 4096 (1,0,1,1,0,2) R1F-M0-N00-J16
Task 1187 of 4096 (1,0,1,1,0,3) R1F-M0-N00-J16
Task 1188 of 4096 (1,0,1,1,0,4) R1F-M0-N00-J16
Task 1189 of 4096 (1,0,1,1,0,5) R1F-M0-N00-J16
Task 1190 of 4096 (1,0,1,1,0,6) R1F-M0-N00-J16
Task 1191 of 4096 (1,0,1,1,0,7) R1F-M0-N00-J16
Task 1192 of 4096 (1,0,1,1,0,8) R1F-M0-N00-J16
Task 1193 of 4096 (1,0,1,1,0,9) R1F-M0-N00-J16
Task 1194 of 4096 (1,0,1,1,0,10) R1F-M0-N00-J16
Task 1195 of 4096 (1,0,1,1,0,11) R1F-M0-N00-J16
Task 1196 of 4096 (1,0,1,1,0,12) R1F-M0-N00-J16
Task 1197 of 4096 (1,0,1,1,0,13) R1F-M0-N00-J16
Task 1198 of 4096 (1,0,1,1,0,14) R1F-M0-N00-J16
Task 1199 of 4096 (1,0,1,1,0,15) R1F-M0-N00-J16
Task 1200 of 4096 (1,0,1,1,1,0) R1F-M0-N00-J23
Task 1201 of 4096 (1,0,1,1,1,1) R1F-M0-N00-J23
Task 1202 of 4096 (1,0,1,1,1,2) R1F-M0-N00-J23
Task 1203 of 4096 (1,0,1,1,1,3) R1F-M0-N00-J23
Task 1204 of 4096 (1,0,1,1,1,4) R1F-M0-N00-J23
Task 1205 of 4096 (1,0,1,1,1,5) R1F-M0-N00-J23
Task 1206 of 4096 (1,0,1,1,1,6) R1F-M0-N00-J23
Task 1207 of 4096 (1,0,1,1,1,7) R1F-M0-N00-J23
Task 1208 of 4096 (1,0,1,1,1,8) R1F-M0-N00-J23
Task 1209 of 4096 (1,0,1,1,1,9) R1F-M0-N00-J23
Task 1210 of 4096 (1,0,1,1,1,10) R1F-M0-N00-J23
Task 1211 of 4096 (1,0,1,1,1,11) R1F-M0-N00-J23
Task 1212 of 4096 (1,0,1,1,1,12) R1F-M0-N00-J23
Task 1213 of 4096 (1,0,1,1,1,13) R1F-M0-N00-J23
Task 1214 of 4096 (1,0,1,1,1,14) R1F-M0-N00-J23
Task 1215 of 4096 (1,0,1,1,1,15) R1F-M0-N00-J23
Task 1216 of 4096 (1,0,1,2,0,0) R1F-M0-N02-J16
Task 1217 of 4096 (1,0,1,2,0,1) R1F-M0-N02-J16
Task 1218 of 4096 (1,0,1,2,0,2) R1F-M0-N02-J16
Task 1219 of 4096 (1,0,1,2,0,3) R1F-M0-N02-J16
Task 1220 of 4096 (1,0,1,2,0,4) R1F-M0-N02-J16
Task 1221 of 4096 (1,0,1,2,0,5) R1F-M0-N02-J16
Task 1222 of 4096 (1,0,1,2,0,6) R1F-M0-N02-J16
Task 1223 of 4096 (1,0,1,2,0,7) R1F-M0-N02-J16
Task 1224 of 4096 (1,0,1,2,0,8) R1F-M0-N02-J16
Task 1225 of 4096 (1,0,1,2,0,9) R1F-M0-N02-J16
Task 1226 of 4096 (1,0,1,2,0,10) R1F-M0-N02-J16
Task 1227 of 4096 (1,0,1,2,0,11) R1F-M0-N02-J16
Task 1228 of 4096 (1,0,1,2,0,12) R1F-M0-N02-J16
Task 1229 of 4096 (1,0,1,2,0,13) R1F-M0-N02-J16
Task 1230 of 4096 (1,0,1,2,0,14) R1F-M0-N02-J16
Task 1231 of 4096 (1,0,1,2,0,15) R1F-M0-N02-J16
Task 1232 of 4096 (1,0,1,2,1,0) R1F-M0-N02-J23
Task 1233 of 4096 (1,0,1,2,1,1) R1F-M0-N02-J23
Task 1234 of 4096 (1,0,1,2,1,2) R1F-M0-N02-J23
Task 1235 of 4096 (1,0,1,2,1,3) R1F-M0-N02-J23
Task 1236 of 4096 (1,0,1,2,1,4) R1F-M0-N02-J23
Task 1237 of 4096 (1,0,1,2,1,5) R1F-M0-N02-J23
Task 1238 of 4096 (1,0,1,2,1,6) R1F-M0-N02-J23
Task 1239 of 4096 (1,0,1,2,1,7) R1F-M0-N02-J23
Task 1240 of 4096 (1,0,1,2,1,8) R1F-M0-N02-J23
Task 1241 of 4096 (1,0,1,2,1,9) R1F-M0-N02-J23
Task 1242 of 4096 (1,0,1,2,1,10) R1F-M0-N02-J23
Task 1243 of 4096 (1,0,1,2,1,11) R1F-M0-N02-J23
Task 1244 of 4096 (1,0,1,2,1,12) R1F-M0-N02-J23
Task 1245 of 4096 (1,0,1,2,1,13) R1F-M0-N02-J23
Task 1246 of 4096 (1,0,1,2,1,14) R1F-M0-N02-J23
Task 1247 of 4096 (1,0,1,2,1,15) R1F-M0-N02-J23
Task 1248 of 4096 (1,0,1,3,0,0) R1F-M0-N02-J28
Task 1249 of 4096 (1,0,1,3,0,1) R1F-M0-N02-J28
Task 1250 of 4096 (1,0,1,3,0,2) R1F-M0-N02-J28
Task 1251 of 4096 (1,0,1,3,0,3) R1F-M0-N02-J28
Task 1252 of 4096 (1,0,1,3,0,4) R1F-M0-N02-J28
Task 1253 of 4096 (1,0,1,3,0,5) R1F-M0-N02-J28
Task 1254 of 4096 (1,0,1,3,0,6) R1F-M0-N02-J28
Task 1255 of 4096 (1,0,1,3,0,7) R1F-M0-N02-J28
Task 1256 of 4096 (1,0,1,3,0,8) R1F-M0-N02-J28
Task 1257 of 4096 (1,0,1,3,0,9) R1F-M0-N02-J28
Task 1258 of 4096 (1,0,1,3,0,10) R1F-M0-N02-J28
Task 1259 of 4096 (1,0,1,3,0,11) R1F-M0-N02-J28
Task 1260 of 4096 (1,0,1,3,0,12) R1F-M0-N02-J28
Task 1261 of 4096 (1,0,1,3,0,13) R1F-M0-N02-J28
Task 1262 of 4096 (1,0,1,3,0,14) R1F-M0-N02-J28
Task 1263 of 4096 (1,0,1,3,0,15) R1F-M0-N02-J28
Task 1264 of 4096 (1,0,1,3,1,0) R1F-M0-N02-J27
Task 1265 of 4096 (1,0,1,3,1,1) R1F-M0-N02-J27
Task 1266 of 4096 (1,0,1,3,1,2) R1F-M0-N02-J27
Task 1267 of 4096 (1,0,1,3,1,3) R1F-M0-N02-J27
Task 1268 of 4096 (1,0,1,3,1,4) R1F-M0-N02-J27
Task 1269 of 4096 (1,0,1,3,1,5) R1F-M0-N02-J27
Task 1270 of 4096 (1,0,1,3,1,6) R1F-M0-N02-J27
Task 1271 of 4096 (1,0,1,3,1,7) R1F-M0-N02-J27
Task 1272 of 4096 (1,0,1,3,1,8) R1F-M0-N02-J27
Task 1273 of 4096 (1,0,1,3,1,9) R1F-M0-N02-J27
Task 1274 of 4096 (1,0,1,3,1,10) R1F-M0-N02-J27
Task 1275 of 4096 (1,0,1,3,1,11) R1F-M0-N02-J27
Task 1276 of 4096 (1,0,1,3,1,12) R1F-M0-N02-J27
Task 1277 of 4096 (1,0,1,3,1,13) R1F-M0-N02-J27
Task 1278 of 4096 (1,0,1,3,1,14) R1F-M0-N02-J27
Task 1279 of 4096 (1,0,1,3,1,15) R1F-M0-N02-J27
Task 1280 of 4096 (1,0,2,0,0,0) R1F-M0-N01-J28
Task 1281 of 4096 (1,0,2,0,0,1) R1F-M0-N01-J28
Task 1282 of 4096 (1,0,2,0,0,2) R1F-M0-N01-J28
Task 1283 of 4096 (1,0,2,0,0,3) R1F-M0-N01-J28
Task 1284 of 4096 (1,0,2,0,0,4) R1F-M0-N01-J28
Task 1285 of 4096 (1,0,2,0,0,5) R1F-M0-N01-J28
Task 1286 of 4096 (1,0,2,0,0,6) R1F-M0-N01-J28
Task 1287 of 4096 (1,0,2,0,0,7) R1F-M0-N01-J28
Task 1288 of 4096 (1,0,2,0,0,8) R1F-M0-N01-J28
Task 1289 of 4096 (1,0,2,0,0,9) R1F-M0-N01-J28
Task 1290 of 4096 (1,0,2,0,0,10) R1F-M0-N01-J28
Task 1291 of 4096 (1,0,2,0,0,11) R1F-M0-N01-J28
Task 1292 of 4096 (1,0,2,0,0,12) R1F-M0-N01-J28
Task 1293 of 4096 (1,0,2,0,0,13) R1F-M0-N01-J28
Task 1294 of 4096 (1,0,2,0,0,14) R1F-M0-N01-J28
Task 1295 of 4096 (1,0,2,0,0,15) R1F-M0-N01-J28
Task 1296 of 4096 (1,0,2,0,1,0) R1F-M0-N01-J27
Task 1297 of 4096 (1,0,2,0,1,1) R1F-M0-N01-J27
Task 1298 of 4096 (1,0,2,0,1,2) R1F-M0-N01-J27
Task 1299 of 4096 (1,0,2,0,1,3) R1F-M0-N01-J27
Task 1300 of 4096 (1,0,2,0,1,4) R1F-M0-N01-J27
Task 1301 of 4096 (1,0,2,0,1,5) R1F-M0-N01-J27
Task 1302 of 4096 (1,0,2,0,1,6) R1F-M0-N01-J27
Task 1303 of 4096 (1,0,2,0,1,7) R1F-M0-N01-J27
Task 1304 of 4096 (1,0,2,0,1,8) R1F-M0-N01-J27
Task 1305 of 4096 (1,0,2,0,1,9) R1F-M0-N01-J27
Task 1306 of 4096 (1,0,2,0,1,10) R1F-M0-N01-J27
Task 1307 of 4096 (1,0,2,0,1,11) R1F-M0-N01-J27
Task 1308 of 4096 (1,0,2,0,1,12) R1F-M0-N01-J27
Task 1309 of 4096 (1,0,2,0,1,13) R1F-M0-N01-J27
Task 1310 of 4096 (1,0,2,0,1,14) R1F-M0-N01-J27
Task 1311 of 4096 (1,0,2,0,1,15) R1F-M0-N01-J27
Task 1312 of 4096 (1,0,2,1,0,0) R1F-M0-N01-J16
Task 1313 of 4096 (1,0,2,1,0,1) R1F-M0-N01-J16
Task 1314 of 4096 (1,0,2,1,0,2) R1F-M0-N01-J16
Task 1315 of 4096 (1,0,2,1,0,3) R1F-M0-N01-J16
Task 1316 of 4096 (1,0,2,1,0,4) R1F-M0-N01-J16
Task 1317 of 4096 (1,0,2,1,0,5) R1F-M0-N01-J16
Task 1318 of 4096 (1,0,2,1,0,6) R1F-M0-N01-J16
Task 1319 of 4096 (1,0,2,1,0,7) R1F-M0-N01-J16
Task 1320 of 4096 (1,0,2,1,0,8) R1F-M0-N01-J16
Task 1321 of 4096 (1,0,2,1,0,9) R1F-M0-N01-J16
Task 1322 of 4096 (1,0,2,1,0,10) R1F-M0-N01-J16
Task 1323 of 4096 (1,0,2,1,0,11) R1F-M0-N01-J16
Task 1324 of 4096 (1,0,2,1,0,12) R1F-M0-N01-J16
Task 1325 of 4096 (1,0,2,1,0,13) R1F-M0-N01-J16
Task 1326 of 4096 (1,0,2,1,0,14) R1F-M0-N01-J16
Task 1327 of 4096 (1,0,2,1,0,15) R1F-M0-N01-J16
Task 1328 of 4096 (1,0,2,1,1,0) R1F-M0-N01-J23
Task 1329 of 4096 (1,0,2,1,1,1) R1F-M0-N01-J23
Task 1330 of 4096 (1,0,2,1,1,2) R1F-M0-N01-J23
Task 1331 of 4096 (1,0,2,1,1,3) R1F-M0-N01-J23
Task 1332 of 4096 (1,0,2,1,1,4) R1F-M0-N01-J23
Task 1333 of 4096 (1,0,2,1,1,5) R1F-M0-N01-J23
Task 1334 of 4096 (1,0,2,1,1,6) R1F-M0-N01-J23
Task 1335 of 4096 (1,0,2,1,1,7) R1F-M0-N01-J23
Task 1336 of 4096 (1,0,2,1,1,8) R1F-M0-N01-J23
Task 1337 of 4096 (1,0,2,1,1,9) R1F-M0-N01-J23
Task 1338 of 4096 (1,0,2,1,1,10) R1F-M0-N01-J23
Task 1339 of 4096 (1,0,2,1,1,11) R1F-M0-N01-J23
Task 1340 of 4096 (1,0,2,1,1,12) R1F-M0-N01-J23
Task 1341 of 4096 (1,0,2,1,1,13) R1F-M0-N01-J23
Task 1342 of 4096 (1,0,2,1,1,14) R1F-M0-N01-J23
Task 1343 of 4096 (1,0,2,1,1,15) R1F-M0-N01-J23
Task 1344 of 4096 (1,0,2,2,0,0) R1F-M0-N03-J16
Task 1345 of 4096 (1,0,2,2,0,1) R1F-M0-N03-J16
Task 1346 of 4096 (1,0,2,2,0,2) R1F-M0-N03-J16
Task 1347 of 4096 (1,0,2,2,0,3) R1F-M0-N03-J16
Task 1348 of 4096 (1,0,2,2,0,4) R1F-M0-N03-J16
Task 1349 of 4096 (1,0,2,2,0,5) R1F-M0-N03-J16
Task 1350 of 4096 (1,0,2,2,0,6) R1F-M0-N03-J16
Task 1351 of 4096 (1,0,2,2,0,7) R1F-M0-N03-J16
Task 1352 of 4096 (1,0,2,2,0,8) R1F-M0-N03-J16
Task 1353 of 4096 (1,0,2,2,0,9) R1F-M0-N03-J16
Task 1354 of 4096 (1,0,2,2,0,10) R1F-M0-N03-J16
Task 1355 of 4096 (1,0,2,2,0,11) R1F-M0-N03-J16
Task 1356 of 4096 (1,0,2,2,0,12) R1F-M0-N03-J16
Task 1357 of 4096 (1,0,2,2,0,13) R1F-M0-N03-J16
Task 1358 of 4096 (1,0,2,2,0,14) R1F-M0-N03-J16
Task 1359 of 4096 (1,0,2,2,0,15) R1F-M0-N03-J16
Task 1360 of 4096 (1,0,2,2,1,0) R1F-M0-N03-J23
Task 1361 of 4096 (1,0,2,2,1,1) R1F-M0-N03-J23
Task 1362 of 4096 (1,0,2,2,1,2) R1F-M0-N03-J23
Task 1363 of 4096 (1,0,2,2,1,3) R1F-M0-N03-J23
Task 1364 of 4096 (1,0,2,2,1,4) R1F-M0-N03-J23
Task 1365 of 4096 (1,0,2,2,1,5) R1F-M0-N03-J23
Task 1366 of 4096 (1,0,2,2,1,6) R1F-M0-N03-J23
Task 1367 of 4096 (1,0,2,2,1,7) R1F-M0-N03-J23
Task 1368 of 4096 (1,0,2,2,1,8) R1F-M0-N03-J23
Task 1369 of 4096 (1,0,2,2,1,9) R1F-M0-N03-J23
Task 1370 of 4096 (1,0,2,2,1,10) R1F-M0-N03-J23
Task 1371 of 4096 (1,0,2,2,1,11) R1F-M0-N03-J23
Task 1372 of 4096 (1,0,2,2,1,12) R1F-M0-N03-J23
Task 1373 of 4096 (1,0,2,2,1,13) R1F-M0-N03-J23
Task 1374 of 4096 (1,0,2,2,1,14) R1F-M0-N03-J23
Task 1375 of 4096 (1,0,2,2,1,15) R1F-M0-N03-J23
Task 1376 of 4096 (1,0,2,3,0,0) R1F-M0-N03-J28
Task 1377 of 4096 (1,0,2,3,0,1) R1F-M0-N03-J28
Task 1378 of 4096 (1,0,2,3,0,2) R1F-M0-N03-J28
Task 1379 of 4096 (1,0,2,3,0,3) R1F-M0-N03-J28
Task 1380 of 4096 (1,0,2,3,0,4) R1F-M0-N03-J28
Task 1381 of 4096 (1,0,2,3,0,5) R1F-M0-N03-J28
Task 1382 of 4096 (1,0,2,3,0,6) R1F-M0-N03-J28
Task 1383 of 4096 (1,0,2,3,0,7) R1F-M0-N03-J28
Task 1384 of 4096 (1,0,2,3,0,8) R1F-M0-N03-J28
Task 1385 of 4096 (1,0,2,3,0,9) R1F-M0-N03-J28
Task 1386 of 4096 (1,0,2,3,0,10) R1F-M0-N03-J28
Task 1387 of 4096 (1,0,2,3,0,11) R1F-M0-N03-J28
Task 1388 of 4096 (1,0,2,3,0,12) R1F-M0-N03-J28
Task 1389 of 4096 (1,0,2,3,0,13) R1F-M0-N03-J28
Task 1390 of 4096 (1,0,2,3,0,14) R1F-M0-N03-J28
Task 1391 of 4096 (1,0,2,3,0,15) R1F-M0-N03-J28
Task 1392 of 4096 (1,0,2,3,1,0) R1F-M0-N03-J27
Task 1393 of 4096 (1,0,2,3,1,1) R1F-M0-N03-J27
Task 1394 of 4096 (1,0,2,3,1,2) R1F-M0-N03-J27
Task 1395 of 4096 (1,0,2,3,1,3) R1F-M0-N03-J27
Task 1396 of 4096 (1,0,2,3,1,4) R1F-M0-N03-J27
Task 1397 of 4096 (1,0,2,3,1,5) R1F-M0-N03-J27
Task 1398 of 4096 (1,0,2,3,1,6) R1F-M0-N03-J27
Task 1399 of 4096 (1,0,2,3,1,7) R1F-M0-N03-J27
Task 1400 of 4096 (1,0,2,3,1,8) R1F-M0-N03-J27
Task 1401 of 4096 (1,0,2,3,1,9) R1F-M0-N03-J27
Task 1402 of 4096 (1,0,2,3,1,10) R1F-M0-N03-J27
Task 1403 of 4096 (1,0,2,3,1,11) R1F-M0-N03-J27
Task 1404 of 4096 (1,0,2,3,1,12) R1F-M0-N03-J27
Task 1405 of 4096 (1,0,2,3,1,13) R1F-M0-N03-J27
Task 1406 of 4096 (1,0,2,3,1,14) R1F-M0-N03-J27
Task 1407 of 4096 (1,0,2,3,1,15) R1F-M0-N03-J27
Task 1408 of 4096 (1,0,3,0,0,0) R1F-M0-N01-J29
Task 1409 of 4096 (1,0,3,0,0,1) R1F-M0-N01-J29
Task 1410 of 4096 (1,0,3,0,0,2) R1F-M0-N01-J29
Task 1411 of 4096 (1,0,3,0,0,3) R1F-M0-N01-J29
Task 1412 of 4096 (1,0,3,0,0,4) R1F-M0-N01-J29
Task 1413 of 4096 (1,0,3,0,0,5) R1F-M0-N01-J29
Task 1414 of 4096 (1,0,3,0,0,6) R1F-M0-N01-J29
Task 1415 of 4096 (1,0,3,0,0,7) R1F-M0-N01-J29
Task 1416 of 4096 (1,0,3,0,0,8) R1F-M0-N01-J29
Task 1417 of 4096 (1,0,3,0,0,9) R1F-M0-N01-J29
Task 1418 of 4096 (1,0,3,0,0,10) R1F-M0-N01-J29
Task 1419 of 4096 (1,0,3,0,0,11) R1F-M0-N01-J29
Task 1420 of 4096 (1,0,3,0,0,12) R1F-M0-N01-J29
Task 1421 of 4096 (1,0,3,0,0,13) R1F-M0-N01-J29
Task 1422 of 4096 (1,0,3,0,0,14) R1F-M0-N01-J29
Task 1423 of 4096 (1,0,3,0,0,15) R1F-M0-N01-J29
Task 1424 of 4096 (1,0,3,0,1,0) R1F-M0-N01-J26
Task 1425 of 4096 (1,0,3,0,1,1) R1F-M0-N01-J26
Task 1426 of 4096 (1,0,3,0,1,2) R1F-M0-N01-J26
Task 1427 of 4096 (1,0,3,0,1,3) R1F-M0-N01-J26
Task 1428 of 4096 (1,0,3,0,1,4) R1F-M0-N01-J26
Task 1429 of 4096 (1,0,3,0,1,5) R1F-M0-N01-J26
Task 1430 of 4096 (1,0,3,0,1,6) R1F-M0-N01-J26
Task 1431 of 4096 (1,0,3,0,1,7) R1F-M0-N01-J26
Task 1432 of 4096 (1,0,3,0,1,8) R1F-M0-N01-J26
Task 1433 of 4096 (1,0,3,0,1,9) R1F-M0-N01-J26
Task 1434 of 4096 (1,0,3,0,1,10) R1F-M0-N01-J26
Task 1435 of 4096 (1,0,3,0,1,11) R1F-M0-N01-J26
Task 1436 of 4096 (1,0,3,0,1,12) R1F-M0-N01-J26
Task 1437 of 4096 (1,0,3,0,1,13) R1F-M0-N01-J26
Task 1438 of 4096 (1,0,3,0,1,14) R1F-M0-N01-J26
Task 1439 of 4096 (1,0,3,0,1,15) R1F-M0-N01-J26
Task 1440 of 4096 (1,0,3,1,0,0) R1F-M0-N01-J17
Task 1441 of 4096 (1,0,3,1,0,1) R1F-M0-N01-J17
Task 1442 of 4096 (1,0,3,1,0,2) R1F-M0-N01-J17
Task 1443 of 4096 (1,0,3,1,0,3) R1F-M0-N01-J17
Task 1444 of 4096 (1,0,3,1,0,4) R1F-M0-N01-J17
Task 1445 of 4096 (1,0,3,1,0,5) R1F-M0-N01-J17
Task 1446 of 4096 (1,0,3,1,0,6) R1F-M0-N01-J17
Task 1447 of 4096 (1,0,3,1,0,7) R1F-M0-N01-J17
Task 1448 of 4096 (1,0,3,1,0,8) R1F-M0-N01-J17
Task 1449 of 4096 (1,0,3,1,0,9) R1F-M0-N01-J17
Task 1450 of 4096 (1,0,3,1,0,10) R1F-M0-N01-J17
Task 1451 of 4096 (1,0,3,1,0,11) R1F-M0-N01-J17
Task 1452 of 4096 (1,0,3,1,0,12) R1F-M0-N01-J17
Task 1453 of 4096 (1,0,3,1,0,13) R1F-M0-N01-J17
Task 1454 of 4096 (1,0,3,1,0,14) R1F-M0-N01-J17
Task 1455 of 4096 (1,0,3,1,0,15) R1F-M0-N01-J17
Task 1456 of 4096 (1,0,3,1,1,0) R1F-M0-N01-J22
Task 1457 of 4096 (1,0,3,1,1,1) R1F-M0-N01-J22
Task 1458 of 4096 (1,0,3,1,1,2) R1F-M0-N01-J22
Task 1459 of 4096 (1,0,3,1,1,3) R1F-M0-N01-J22
Task 1460 of 4096 (1,0,3,1,1,4) R1F-M0-N01-J22
Task 1461 of 4096 (1,0,3,1,1,5) R1F-M0-N01-J22
Task 1462 of 4096 (1,0,3,1,1,6) R1F-M0-N01-J22
Task 1463 of 4096 (1,0,3,1,1,7) R1F-M0-N01-J22
Task 1464 of 4096 (1,0,3,1,1,8) R1F-M0-N01-J22
Task 1465 of 4096 (1,0,3,1,1,9) R1F-M0-N01-J22
Task 1466 of 4096 (1,0,3,1,1,10) R1F-M0-N01-J22
Task 1467 of 4096 (1,0,3,1,1,11) R1F-M0-N01-J22
Task 1468 of 4096 (1,0,3,1,1,12) R1F-M0-N01-J22
Task 1469 of 4096 (1,0,3,1,1,13) R1F-M0-N01-J22
Task 1470 of 4096 (1,0,3,1,1,14) R1F-M0-N01-J22
Task 1471 of 4096 (1,0,3,1,1,15) R1F-M0-N01-J22
Task 1472 of 4096 (1,0,3,2,0,0) R1F-M0-N03-J17
Task 1473 of 4096 (1,0,3,2,0,1) R1F-M0-N03-J17
Task 1474 of 4096 (1,0,3,2,0,2) R1F-M0-N03-J17
Task 1475 of 4096 (1,0,3,2,0,3) R1F-M0-N03-J17
Task 1476 of 4096 (1,0,3,2,0,4) R1F-M0-N03-J17
Task 1477 of 4096 (1,0,3,2,0,5) R1F-M0-N03-J17
Task 1478 of 4096 (1,0,3,2,0,6) R1F-M0-N03-J17
Task 1479 of 4096 (1,0,3,2,0,7) R1F-M0-N03-J17
Task 1480 of 4096 (1,0,3,2,0,8) R1F-M0-N03-J17
Task 1481 of 4096 (1,0,3,2,0,9) R1F-M0-N03-J17
Task 1482 of 4096 (1,0,3,2,0,10) R1F-M0-N03-J17
Task 1483 of 4096 (1,0,3,2,0,11) R1F-M0-N03-J17
Task 1484 of 4096 (1,0,3,2,0,12) R1F-M0-N03-J17
Task 1485 of 4096 (1,0,3,2,0,13) R1F-M0-N03-J17
Task 1486 of 4096 (1,0,3,2,0,14) R1F-M0-N03-J17
Task 1487 of 4096 (1,0,3,2,0,15) R1F-M0-N03-J17
Task 1488 of 4096 (1,0,3,2,1,0) R1F-M0-N03-J22
Task 1489 of 4096 (1,0,3,2,1,1) R1F-M0-N03-J22
Task 1490 of 4096 (1,0,3,2,1,2) R1F-M0-N03-J22
Task 1491 of 4096 (1,0,3,2,1,3) R1F-M0-N03-J22
Task 1492 of 4096 (1,0,3,2,1,4) R1F-M0-N03-J22
Task 1493 of 4096 (1,0,3,2,1,5) R1F-M0-N03-J22
Task 1494 of 4096 (1,0,3,2,1,6) R1F-M0-N03-J22
Task 1495 of 4096 (1,0,3,2,1,7) R1F-M0-N03-J22
Task 1496 of 4096 (1,0,3,2,1,8) R1F-M0-N03-J22
Task 1497 of 4096 (1,0,3,2,1,9) R1F-M0-N03-J22
Task 1498 of 4096 (1,0,3,2,1,10) R1F-M0-N03-J22
Task 1499 of 4096 (1,0,3,2,1,11) R1F-M0-N03-J22
Task 1500 of 4096 (1,0,3,2,1,12) R1F-M0-N03-J22
Task 1501 of 4096 (1,0,3,2,1,13) R1F-M0-N03-J22
Task 1502 of 4096 (1,0,3,2,1,14) R1F-M0-N03-J22
Task 1503 of 4096 (1,0,3,2,1,15) R1F-M0-N03-J22
Task 1504 of 4096 (1,0,3,3,0,0) R1F-M0-N03-J29
Task 1505 of 4096 (1,0,3,3,0,1) R1F-M0-N03-J29
Task 1506 of 4096 (1,0,3,3,0,2) R1F-M0-N03-J29
Task 1507 of 4096 (1,0,3,3,0,3) R1F-M0-N03-J29
Task 1508 of 4096 (1,0,3,3,0,4) R1F-M0-N03-J29
Task 1509 of 4096 (1,0,3,3,0,5) R1F-M0-N03-J29
Task 1510 of 4096 (1,0,3,3,0,6) R1F-M0-N03-J29
Task 1511 of 4096 (1,0,3,3,0,7) R1F-M0-N03-J29
Task 1512 of 4096 (1,0,3,3,0,8) R1F-M0-N03-J29
Task 1513 of 4096 (1,0,3,3,0,9) R1F-M0-N03-J29
Task 1514 of 4096 (1,0,3,3,0,10) R1F-M0-N03-J29
Task 1515 of 4096 (1,0,3,3,0,11) R1F-M0-N03-J29
Task 1516 of 4096 (1,0,3,3,0,12) R1F-M0-N03-J29
Task 1517 of 4096 (1,0,3,3,0,13) R1F-M0-N03-J29
Task 1518 of 4096 (1,0,3,3,0,14) R1F-M0-N03-J29
Task 1519 of 4096 (1,0,3,3,0,15) R1F-M0-N03-J29
Task 1520 of 4096 (1,0,3,3,1,0) R1F-M0-N03-J26
Task 1521 of 4096 (1,0,3,3,1,1) R1F-M0-N03-J26
Task 1522 of 4096 (1,0,3,3,1,2) R1F-M0-N03-J26
Task 1523 of 4096 (1,0,3,3,1,3) R1F-M0-N03-J26
Task 1524 of 4096 (1,0,3,3,1,4) R1F-M0-N03-J26
Task 1525 of 4096 (1,0,3,3,1,5) R1F-M0-N03-J26
Task 1526 of 4096 (1,0,3,3,1,6) R1F-M0-N03-J26
Task 1527 of 4096 (1,0,3,3,1,7) R1F-M0-N03-J26
Task 1528 of 4096 (1,0,3,3,1,8) R1F-M0-N03-J26
Task 1529 of 4096 (1,0,3,3,1,9) R1F-M0-N03-J26
Task 1530 of 4096 (1,0,3,3,1,10) R1F-M0-N03-J26
Task 1531 of 4096 (1,0,3,3,1,11) R1F-M0-N03-J26
Task 1532 of 4096 (1,0,3,3,1,12) R1F-M0-N03-J26
Task 1533 of 4096 (1,0,3,3,1,13) R1F-M0-N03-J26
Task 1534 of 4096 (1,0,3,3,1,14) R1F-M0-N03-J26
Task 1535 of 4096 (1,0,3,3,1,15) R1F-M0-N03-J26
Task 1536 of 4096 (1,1,0,0,0,0) R1F-M0-N00-J30
Task 1537 of 4096 (1,1,0,0,0,1) R1F-M0-N00-J30
Task 1538 of 4096 (1,1,0,0,0,2) R1F-M0-N00-J30
Task 1539 of 4096 (1,1,0,0,0,3) R1F-M0-N00-J30
Task 1540 of 4096 (1,1,0,0,0,4) R1F-M0-N00-J30
Task 1541 of 4096 (1,1,0,0,0,5) R1F-M0-N00-J30
Task 1542 of 4096 (1,1,0,0,0,6) R1F-M0-N00-J30
Task 1543 of 4096 (1,1,0,0,0,7) R1F-M0-N00-J30
Task 1544 of 4096 (1,1,0,0,0,8) R1F-M0-N00-J30
Task 1545 of 4096 (1,1,0,0,0,9) R1F-M0-N00-J30
Task 1546 of 4096 (1,1,0,0,0,10) R1F-M0-N00-J30
Task 1547 of 4096 (1,1,0,0,0,11) R1F-M0-N00-J30
Task 1548 of 4096 (1,1,0,0,0,12) R1F-M0-N00-J30
Task 1549 of 4096 (1,1,0,0,0,13) R1F-M0-N00-J30
Task 1550 of 4096 (1,1,0,0,0,14) R1F-M0-N00-J30
Task 1551 of 4096 (1,1,0,0,0,15) R1F-M0-N00-J30
Task 1552 of 4096 (1,1,0,0,1,0) R1F-M0-N00-J25
Task 1553 of 4096 (1,1,0,0,1,1) R1F-M0-N00-J25
Task 1554 of 4096 (1,1,0,0,1,2) R1F-M0-N00-J25
Task 1555 of 4096 (1,1,0,0,1,3) R1F-M0-N00-J25
Task 1556 of 4096 (1,1,0,0,1,4) R1F-M0-N00-J25
Task 1557 of 4096 (1,1,0,0,1,5) R1F-M0-N00-J25
Task 1558 of 4096 (1,1,0,0,1,6) R1F-M0-N00-J25
Task 1559 of 4096 (1,1,0,0,1,7) R1F-M0-N00-J25
Task 1560 of 4096 (1,1,0,0,1,8) R1F-M0-N00-J25
Task 1561 of 4096 (1,1,0,0,1,9) R1F-M0-N00-J25
Task 1562 of 4096 (1,1,0,0,1,10) R1F-M0-N00-J25
Task 1563 of 4096 (1,1,0,0,1,11) R1F-M0-N00-J25
Task 1564 of 4096 (1,1,0,0,1,12) R1F-M0-N00-J25
Task 1565 of 4096 (1,1,0,0,1,13) R1F-M0-N00-J25
Task 1566 of 4096 (1,1,0,0,1,14) R1F-M0-N00-J25
Task 1567 of 4096 (1,1,0,0,1,15) R1F-M0-N00-J25
Task 1568 of 4096 (1,1,0,1,0,0) R1F-M0-N00-J18
Task 1569 of 4096 (1,1,0,1,0,1) R1F-M0-N00-J18
Task 1570 of 4096 (1,1,0,1,0,2) R1F-M0-N00-J18
Task 1571 of 4096 (1,1,0,1,0,3) R1F-M0-N00-J18
Task 1572 of 4096 (1,1,0,1,0,4) R1F-M0-N00-J18
Task 1573 of 4096 (1,1,0,1,0,5) R1F-M0-N00-J18
Task 1574 of 4096 (1,1,0,1,0,6) R1F-M0-N00-J18
Task 1575 of 4096 (1,1,0,1,0,7) R1F-M0-N00-J18
Task 1576 of 4096 (1,1,0,1,0,8) R1F-M0-N00-J18
Task 1577 of 4096 (1,1,0,1,0,9) R1F-M0-N00-J18
Task 1578 of 4096 (1,1,0,1,0,10) R1F-M0-N00-J18
Task 1579 of 4096 (1,1,0,1,0,11) R1F-M0-N00-J18
Task 1580 of 4096 (1,1,0,1,0,12) R1F-M0-N00-J18
Task 1581 of 4096 (1,1,0,1,0,13) R1F-M0-N00-J18
Task 1582 of 4096 (1,1,0,1,0,14) R1F-M0-N00-J18
Task 1583 of 4096 (1,1,0,1,0,15) R1F-M0-N00-J18
Task 1584 of 4096 (1,1,0,1,1,0) R1F-M0-N00-J21
Task 1585 of 4096 (1,1,0,1,1,1) R1F-M0-N00-J21
Task 1586 of 4096 (1,1,0,1,1,2) R1F-M0-N00-J21
Task 1587 of 4096 (1,1,0,1,1,3) R1F-M0-N00-J21
Task 1588 of 4096 (1,1,0,1,1,4) R1F-M0-N00-J21
Task 1589 of 4096 (1,1,0,1,1,5) R1F-M0-N00-J21
Task 1590 of 4096 (1,1,0,1,1,6) R1F-M0-N00-J21
Task 1591 of 4096 (1,1,0,1,1,7) R1F-M0-N00-J21
Task 1592 of 4096 (1,1,0,1,1,8) R1F-M0-N00-J21
Task 1593 of 4096 (1,1,0,1,1,9) R1F-M0-N00-J21
Task 1594 of 4096 (1,1,0,1,1,10) R1F-M0-N00-J21
Task 1595 of 4096 (1,1,0,1,1,11) R1F-M0-N00-J21
Task 1596 of 4096 (1,1,0,1,1,12) R1F-M0-N00-J21
Task 1597 of 4096 (1,1,0,1,1,13) R1F-M0-N00-J21
Task 1598 of 4096 (1,1,0,1,1,14) R1F-M0-N00-J21
Task 1599 of 4096 (1,1,0,1,1,15) R1F-M0-N00-J21
Task 1600 of 4096 (1,1,0,2,0,0) R1F-M0-N02-J18
Task 1601 of 4096 (1,1,0,2,0,1) R1F-M0-N02-J18
Task 1602 of 4096 (1,1,0,2,0,2) R1F-M0-N02-J18
Task 1603 of 4096 (1,1,0,2,0,3) R1F-M0-N02-J18
Task 1604 of 4096 (1,1,0,2,0,4) R1F-M0-N02-J18
Task 1605 of 4096 (1,1,0,2,0,5) R1F-M0-N02-J18
Task 1606 of 4096 (1,1,0,2,0,6) R1F-M0-N02-J18
Task 1607 of 4096 (1,1,0,2,0,7) R1F-M0-N02-J18
Task 1608 of 4096 (1,1,0,2,0,8) R1F-M0-N02-J18
Task 1609 of 4096 (1,1,0,2,0,9) R1F-M0-N02-J18
Task 1610 of 4096 (1,1,0,2,0,10) R1F-M0-N02-J18
Task 1611 of 4096 (1,1,0,2,0,11) R1F-M0-N02-J18
Task 1612 of 4096 (1,1,0,2,0,12) R1F-M0-N02-J18
Task 1613 of 4096 (1,1,0,2,0,13) R1F-M0-N02-J18
Task 1614 of 4096 (1,1,0,2,0,14) R1F-M0-N02-J18
Task 1615 of 4096 (1,1,0,2,0,15) R1F-M0-N02-J18
Task 1616 of 4096 (1,1,0,2,1,0) R1F-M0-N02-J21
Task 1617 of 4096 (1,1,0,2,1,1) R1F-M0-N02-J21
Task 1618 of 4096 (1,1,0,2,1,2) R1F-M0-N02-J21
Task 1619 of 4096 (1,1,0,2,1,3) R1F-M0-N02-J21
Task 1620 of 4096 (1,1,0,2,1,4) R1F-M0-N02-J21
Task 1621 of 4096 (1,1,0,2,1,5) R1F-M0-N02-J21
Task 1622 of 4096 (1,1,0,2,1,6) R1F-M0-N02-J21
Task 1623 of 4096 (1,1,0,2,1,7) R1F-M0-N02-J21
Task 1624 of 4096 (1,1,0,2,1,8) R1F-M0-N02-J21
Task 1625 of 4096 (1,1,0,2,1,9) R1F-M0-N02-J21
Task 1626 of 4096 (1,1,0,2,1,10) R1F-M0-N02-J21
Task 1627 of 4096 (1,1,0,2,1,11) R1F-M0-N02-J21
Task 1628 of 4096 (1,1,0,2,1,12) R1F-M0-N02-J21
Task 1629 of 4096 (1,1,0,2,1,13) R1F-M0-N02-J21
Task 1630 of 4096 (1,1,0,2,1,14) R1F-M0-N02-J21
Task 1631 of 4096 (1,1,0,2,1,15) R1F-M0-N02-J21
Task 1632 of 4096 (1,1,0,3,0,0) R1F-M0-N02-J30
Task 1633 of 4096 (1,1,0,3,0,1) R1F-M0-N02-J30
Task 1634 of 4096 (1,1,0,3,0,2) R1F-M0-N02-J30
Task 1635 of 4096 (1,1,0,3,0,3) R1F-M0-N02-J30
Task 1636 of 4096 (1,1,0,3,0,4) R1F-M0-N02-J30
Task 1637 of 4096 (1,1,0,3,0,5) R1F-M0-N02-J30
Task 1638 of 4096 (1,1,0,3,0,6) R1F-M0-N02-J30
Task 1639 of 4096 (1,1,0,3,0,7) R1F-M0-N02-J30
Task 1640 of 4096 (1,1,0,3,0,8) R1F-M0-N02-J30
Task 1641 of 4096 (1,1,0,3,0,9) R1F-M0-N02-J30
Task 1642 of 4096 (1,1,0,3,0,10) R1F-M0-N02-J30
Task 1643 of 4096 (1,1,0,3,0,11) R1F-M0-N02-J30
Task 1644 of 4096 (1,1,0,3,0,12) R1F-M0-N02-J30
Task 1645 of 4096 (1,1,0,3,0,13) R1F-M0-N02-J30
Task 1646 of 4096 (1,1,0,3,0,14) R1F-M0-N02-J30
Task 1647 of 4096 (1,1,0,3,0,15) R1F-M0-N02-J30
Task 1648 of 4096 (1,1,0,3,1,0) R1F-M0-N02-J25
Task 1649 of 4096 (1,1,0,3,1,1) R1F-M0-N02-J25
Task 1650 of 4096 (1,1,0,3,1,2) R1F-M0-N02-J25
Task 1651 of 4096 (1,1,0,3,1,3) R1F-M0-N02-J25
Task 1652 of 4096 (1,1,0,3,1,4) R1F-M0-N02-J25
Task 1653 of 4096 (1,1,0,3,1,5) R1F-M0-N02-J25
Task 1654 of 4096 (1,1,0,3,1,6) R1F-M0-N02-J25
Task 1655 of 4096 (1,1,0,3,1,7) R1F-M0-N02-J25
Task 1656 of 4096 (1,1,0,3,1,8) R1F-M0-N02-J25
Task 1657 of 4096 (1,1,0,3,1,9) R1F-M0-N02-J25
Task 1658 of 4096 (1,1,0,3,1,10) R1F-M0-N02-J25
Task 1659 of 4096 (1,1,0,3,1,11) R1F-M0-N02-J25
Task 1660 of 4096 (1,1,0,3,1,12) R1F-M0-N02-J25
Task 1661 of 4096 (1,1,0,3,1,13) R1F-M0-N02-J25
Task 1662 of 4096 (1,1,0,3,1,14) R1F-M0-N02-J25
Task 1663 of 4096 (1,1,0,3,1,15) R1F-M0-N02-J25
Task 1664 of 4096 (1,1,1,0,0,0) R1F-M0-N00-J31
Task 1665 of 4096 (1,1,1,0,0,1) R1F-M0-N00-J31
Task 1666 of 4096 (1,1,1,0,0,2) R1F-M0-N00-J31
Task 1667 of 4096 (1,1,1,0,0,3) R1F-M0-N00-J31
Task 1668 of 4096 (1,1,1,0,0,4) R1F-M0-N00-J31
Task 1669 of 4096 (1,1,1,0,0,5) R1F-M0-N00-J31
Task 1670 of 4096 (1,1,1,0,0,6) R1F-M0-N00-J31
Task 1671 of 4096 (1,1,1,0,0,7) R1F-M0-N00-J31
Task 1672 of 4096 (1,1,1,0,0,8) R1F-M0-N00-J31
Task 1673 of 4096 (1,1,1,0,0,9) R1F-M0-N00-J31
Task 1674 of 4096 (1,1,1,0,0,10) R1F-M0-N00-J31
Task 1675 of 4096 (1,1,1,0,0,11) R1F-M0-N00-J31
Task 1676 of 4096 (1,1,1,0,0,12) R1F-M0-N00-J31
Task 1677 of 4096 (1,1,1,0,0,13) R1F-M0-N00-J31
Task 1678 of 4096 (1,1,1,0,0,14) R1F-M0-N00-J31
Task 1679 of 4096 (1,1,1,0,0,15) R1F-M0-N00-J31
Task 1680 of 4096 (1,1,1,0,1,0) R1F-M0-N00-J24
Task 1681 of 4096 (1,1,1,0,1,1) R1F-M0-N00-J24
Task 1682 of 4096 (1,1,1,0,1,2) R1F-M0-N00-J24
Task 1683 of 4096 (1,1,1,0,1,3) R1F-M0-N00-J24
Task 1684 of 4096 (1,1,1,0,1,4) R1F-M0-N00-J24
Task 1685 of 4096 (1,1,1,0,1,5) R1F-M0-N00-J24
Task 1686 of 4096 (1,1,1,0,1,6) R1F-M0-N00-J24
Task 1687 of 4096 (1,1,1,0,1,7) R1F-M0-N00-J24
Task 1688 of 4096 (1,1,1,0,1,8) R1F-M0-N00-J24
Task 1689 of 4096 (1,1,1,0,1,9) R1F-M0-N00-J24
Task 1690 of 4096 (1,1,1,0,1,10) R1F-M0-N00-J24
Task 1691 of 4096 (1,1,1,0,1,11) R1F-M0-N00-J24
Task 1692 of 4096 (1,1,1,0,1,12) R1F-M0-N00-J24
Task 1693 of 4096 (1,1,1,0,1,13) R1F-M0-N00-J24
Task 1694 of 4096 (1,1,1,0,1,14) R1F-M0-N00-J24
Task 1695 of 4096 (1,1,1,0,1,15) R1F-M0-N00-J24
Task 1696 of 4096 (1,1,1,1,0,0) R1F-M0-N00-J19
Task 1697 of 4096 (1,1,1,1,0,1) R1F-M0-N00-J19
Task 1698 of 4096 (1,1,1,1,0,2) R1F-M0-N00-J19
Task 1699 of 4096 (1,1,1,1,0,3) R1F-M0-N00-J19
Task 1700 of 4096 (1,1,1,1,0,4) R1F-M0-N00-J19
Task 1701 of 4096 (1,1,1,1,0,5) R1F-M0-N00-J19
Task 1702 of 4096 (1,1,1,1,0,6) R1F-M0-N00-J19
Task 1703 of 4096 (1,1,1,1,0,7) R1F-M0-N00-J19
Task 1704 of 4096 (1,1,1,1,0,8) R1F-M0-N00-J19
Task 1705 of 4096 (1,1,1,1,0,9) R1F-M0-N00-J19
Task 1706 of 4096 (1,1,1,1,0,10) R1F-M0-N00-J19
Task 1707 of 4096 (1,1,1,1,0,11) R1F-M0-N00-J19
Task 1708 of 4096 (1,1,1,1,0,12) R1F-M0-N00-J19
Task 1709 of 4096 (1,1,1,1,0,13) R1F-M0-N00-J19
Task 1710 of 4096 (1,1,1,1,0,14) R1F-M0-N00-J19
Task 1711 of 4096 (1,1,1,1,0,15) R1F-M0-N00-J19
Task 1712 of 4096 (1,1,1,1,1,0) R1F-M0-N00-J20
Task 1713 of 4096 (1,1,1,1,1,1) R1F-M0-N00-J20
Task 1714 of 4096 (1,1,1,1,1,2) R1F-M0-N00-J20
Task 1715 of 4096 (1,1,1,1,1,3) R1F-M0-N00-J20
Task 1716 of 4096 (1,1,1,1,1,4) R1F-M0-N00-J20
Task 1717 of 4096 (1,1,1,1,1,5) R1F-M0-N00-J20
Task 1718 of 4096 (1,1,1,1,1,6) R1F-M0-N00-J20
Task 1719 of 4096 (1,1,1,1,1,7) R1F-M0-N00-J20
Task 1720 of 4096 (1,1,1,1,1,8) R1F-M0-N00-J20
Task 1721 of 4096 (1,1,1,1,1,9) R1F-M0-N00-J20
Task 1722 of 4096 (1,1,1,1,1,10) R1F-M0-N00-J20
Task 1723 of 4096 (1,1,1,1,1,11) R1F-M0-N00-J20
Task 1724 of 4096 (1,1,1,1,1,12) R1F-M0-N00-J20
Task 1725 of 4096 (1,1,1,1,1,13) R1F-M0-N00-J20
Task 1726 of 4096 (1,1,1,1,1,14) R1F-M0-N00-J20
Task 1727 of 4096 (1,1,1,1,1,15) R1F-M0-N00-J20
Task 1728 of 4096 (1,1,1,2,0,0) R1F-M0-N02-J19
Task 1729 of 4096 (1,1,1,2,0,1) R1F-M0-N02-J19
Task 1730 of 4096 (1,1,1,2,0,2) R1F-M0-N02-J19
Task 1731 of 4096 (1,1,1,2,0,3) R1F-M0-N02-J19
Task 1732 of 4096 (1,1,1,2,0,4) R1F-M0-N02-J19
Task 1733 of 4096 (1,1,1,2,0,5) R1F-M0-N02-J19
Task 1734 of 4096 (1,1,1,2,0,6) R1F-M0-N02-J19
Task 1735 of 4096 (1,1,1,2,0,7) R1F-M0-N02-J19
Task 1736 of 4096 (1,1,1,2,0,8) R1F-M0-N02-J19
Task 1737 of 4096 (1,1,1,2,0,9) R1F-M0-N02-J19
Task 1738 of 4096 (1,1,1,2,0,10) R1F-M0-N02-J19
Task 1739 of 4096 (1,1,1,2,0,11) R1F-M0-N02-J19
Task 1740 of 4096 (1,1,1,2,0,12) R1F-M0-N02-J19
Task 1741 of 4096 (1,1,1,2,0,13) R1F-M0-N02-J19
Task 1742 of 4096 (1,1,1,2,0,14) R1F-M0-N02-J19
Task 1743 of 4096 (1,1,1,2,0,15) R1F-M0-N02-J19
Task 1744 of 4096 (1,1,1,2,1,0) R1F-M0-N02-J20
Task 1745 of 4096 (1,1,1,2,1,1) R1F-M0-N02-J20
Task 1746 of 4096 (1,1,1,2,1,2) R1F-M0-N02-J20
Task 1747 of 4096 (1,1,1,2,1,3) R1F-M0-N02-J20
Task 1748 of 4096 (1,1,1,2,1,4) R1F-M0-N02-J20
Task 1749 of 4096 (1,1,1,2,1,5) R1F-M0-N02-J20
Task 1750 of 4096 (1,1,1,2,1,6) R1F-M0-N02-J20
Task 1751 of 4096 (1,1,1,2,1,7) R1F-M0-N02-J20
Task 1752 of 4096 (1,1,1,2,1,8) R1F-M0-N02-J20
Task 1753 of 4096 (1,1,1,2,1,9) R1F-M0-N02-J20
Task 1754 of 4096 (1,1,1,2,1,10) R1F-M0-N02-J20
Task 1755 of 4096 (1,1,1,2,1,11) R1F-M0-N02-J20
Task 1756 of 4096 (1,1,1,2,1,12) R1F-M0-N02-J20
Task 1757 of 4096 (1,1,1,2,1,13) R1F-M0-N02-J20
Task 1758 of 4096 (1,1,1,2,1,14) R1F-M0-N02-J20
Task 1759 of 4096 (1,1,1,2,1,15) R1F-M0-N02-J20
Task 1760 of 4096 (1,1,1,3,0,0) R1F-M0-N02-J31
Task 1761 of 4096 (1,1,1,3,0,1) R1F-M0-N02-J31
Task 1762 of 4096 (1,1,1,3,0,2) R1F-M0-N02-J31
Task 1763 of 4096 (1,1,1,3,0,3) R1F-M0-N02-J31
Task 1764 of 4096 (1,1,1,3,0,4) R1F-M0-N02-J31
Task 1765 of 4096 (1,1,1,3,0,5) R1F-M0-N02-J31
Task 1766 of 4096 (1,1,1,3,0,6) R1F-M0-N02-J31
Task 1767 of 4096 (1,1,1,3,0,7) R1F-M0-N02-J31
Task 1768 of 4096 (1,1,1,3,0,8) R1F-M0-N02-J31
Task 1769 of 4096 (1,1,1,3,0,9) R1F-M0-N02-J31
Task 1770 of 4096 (1,1,1,3,0,10) R1F-M0-N02-J31
Task 1771 of 4096 (1,1,1,3,0,11) R1F-M0-N02-J31
Task 1772 of 4096 (1,1,1,3,0,12) R1F-M0-N02-J31
Task 1773 of 4096 (1,1,1,3,0,13) R1F-M0-N02-J31
Task 1774 of 4096 (1,1,1,3,0,14) R1F-M0-N02-J31
Task 1775 of 4096 (1,1,1,3,0,15) R1F-M0-N02-J31
Task 1776 of 4096 (1,1,1,3,1,0) R1F-M0-N02-J24
Task 1777 of 4096 (1,1,1,3,1,1) R1F-M0-N02-J24
Task 1778 of 4096 (1,1,1,3,1,2) R1F-M0-N02-J24
Task 1779 of 4096 (1,1,1,3,1,3) R1F-M0-N02-J24
Task 1780 of 4096 (1,1,1,3,1,4) R1F-M0-N02-J24
Task 1781 of 4096 (1,1,1,3,1,5) R1F-M0-N02-J24
Task 1782 of 4096 (1,1,1,3,1,6) R1F-M0-N02-J24
Task 1783 of 4096 (1,1,1,3,1,7) R1F-M0-N02-J24
Task 1784 of 4096 (1,1,1,3,1,8) R1F-M0-N02-J24
Task 1785 of 4096 (1,1,1,3,1,9) R1F-M0-N02-J24
Task 1786 of 4096 (1,1,1,3,1,10) R1F-M0-N02-J24
Task 1787 of 4096 (1,1,1,3,1,11) R1F-M0-N02-J24
Task 1788 of 4096 (1,1,1,3,1,12) R1F-M0-N02-J24
Task 1789 of 4096 (1,1,1,3,1,13) R1F-M0-N02-J24
Task 1790 of 4096 (1,1,1,3,1,14) R1F-M0-N02-J24
Task 1791 of 4096 (1,1,1,3,1,15) R1F-M0-N02-J24
Task 1792 of 4096 (1,1,2,0,0,0) R1F-M0-N01-J31
Task 1793 of 4096 (1,1,2,0,0,1) R1F-M0-N01-J31
Task 1794 of 4096 (1,1,2,0,0,2) R1F-M0-N01-J31
Task 1795 of 4096 (1,1,2,0,0,3) R1F-M0-N01-J31
Task 1796 of 4096 (1,1,2,0,0,4) R1F-M0-N01-J31
Task 1797 of 4096 (1,1,2,0,0,5) R1F-M0-N01-J31
Task 1798 of 4096 (1,1,2,0,0,6) R1F-M0-N01-J31
Task 1799 of 4096 (1,1,2,0,0,7) R1F-M0-N01-J31
Task 1800 of 4096 (1,1,2,0,0,8) R1F-M0-N01-J31
Task 1801 of 4096 (1,1,2,0,0,9) R1F-M0-N01-J31
Task 1802 of 4096 (1,1,2,0,0,10) R1F-M0-N01-J31
Task 1803 of 4096 (1,1,2,0,0,11) R1F-M0-N01-J31
Task 1804 of 4096 (1,1,2,0,0,12) R1F-M0-N01-J31
Task 1805 of 4096 (1,1,2,0,0,13) R1F-M0-N01-J31
Task 1806 of 4096 (1,1,2,0,0,14) R1F-M0-N01-J31
Task 1807 of 4096 (1,1,2,0,0,15) R1F-M0-N01-J31
Task 1808 of 4096 (1,1,2,0,1,0) R1F-M0-N01-J24
Task 1809 of 4096 (1,1,2,0,1,1) R1F-M0-N01-J24
Task 1810 of 4096 (1,1,2,0,1,2) R1F-M0-N01-J24
Task 1811 of 4096 (1,1,2,0,1,3) R1F-M0-N01-J24
Task 1812 of 4096 (1,1,2,0,1,4) R1F-M0-N01-J24
Task 1813 of 4096 (1,1,2,0,1,5) R1F-M0-N01-J24
Task 1814 of 4096 (1,1,2,0,1,6) R1F-M0-N01-J24
Task 1815 of 4096 (1,1,2,0,1,7) R1F-M0-N01-J24
Task 1816 of 4096 (1,1,2,0,1,8) R1F-M0-N01-J24
Task 1817 of 4096 (1,1,2,0,1,9) R1F-M0-N01-J24
Task 1818 of 4096 (1,1,2,0,1,10) R1F-M0-N01-J24
Task 1819 of 4096 (1,1,2,0,1,11) R1F-M0-N01-J24
Task 1820 of 4096 (1,1,2,0,1,12) R1F-M0-N01-J24
Task 1821 of 4096 (1,1,2,0,1,13) R1F-M0-N01-J24
Task 1822 of 4096 (1,1,2,0,1,14) R1F-M0-N01-J24
Task 1823 of 4096 (1,1,2,0,1,15) R1F-M0-N01-J24
Task 1824 of 4096 (1,1,2,1,0,0) R1F-M0-N01-J19
Task 1825 of 4096 (1,1,2,1,0,1) R1F-M0-N01-J19
Task 1826 of 4096 (1,1,2,1,0,2) R1F-M0-N01-J19
Task 1827 of 4096 (1,1,2,1,0,3) R1F-M0-N01-J19
Task 1828 of 4096 (1,1,2,1,0,4) R1F-M0-N01-J19
Task 1829 of 4096 (1,1,2,1,0,5) R1F-M0-N01-J19
Task 1830 of 4096 (1,1,2,1,0,6) R1F-M0-N01-J19
Task 1831 of 4096 (1,1,2,1,0,7) R1F-M0-N01-J19
Task 1832 of 4096 (1,1,2,1,0,8) R1F-M0-N01-J19
Task 1833 of 4096 (1,1,2,1,0,9) R1F-M0-N01-J19
Task 1834 of 4096 (1,1,2,1,0,10) R1F-M0-N01-J19
Task 1835 of 4096 (1,1,2,1,0,11) R1F-M0-N01-J19
Task 1836 of 4096 (1,1,2,1,0,12) R1F-M0-N01-J19
Task 1837 of 4096 (1,1,2,1,0,13) R1F-M0-N01-J19
Task 1838 of 4096 (1,1,2,1,0,14) R1F-M0-N01-J19
Task 1839 of 4096 (1,1,2,1,0,15) R1F-M0-N01-J19
Task 1840 of 4096 (1,1,2,1,1,0) R1F-M0-N01-J20
Task 1841 of 4096 (1,1,2,1,1,1) R1F-M0-N01-J20
Task 1842 of 4096 (1,1,2,1,1,2) R1F-M0-N01-J20
Task 1843 of 4096 (1,1,2,1,1,3) R1F-M0-N01-J20
Task 1844 of 4096 (1,1,2,1,1,4) R1F-M0-N01-J20
Task 1845 of 4096 (1,1,2,1,1,5) R1F-M0-N01-J20
Task 1846 of 4096 (1,1,2,1,1,6) R1F-M0-N01-J20
Task 1847 of 4096 (1,1,2,1,1,7) R1F-M0-N01-J20
Task 1848 of 4096 (1,1,2,1,1,8) R1F-M0-N01-J20
Task 1849 of 4096 (1,1,2,1,1,9) R1F-M0-N01-J20
Task 1850 of 4096 (1,1,2,1,1,10) R1F-M0-N01-J20
Task 1851 of 4096 (1,1,2,1,1,11) R1F-M0-N01-J20
Task 1852 of 4096 (1,1,2,1,1,12) R1F-M0-N01-J20
Task 1853 of 4096 (1,1,2,1,1,13) R1F-M0-N01-J20
Task 1854 of 4096 (1,1,2,1,1,14) R1F-M0-N01-J20
Task 1855 of 4096 (1,1,2,1,1,15) R1F-M0-N01-J20
Task 1856 of 4096 (1,1,2,2,0,0) R1F-M0-N03-J19
Task 1857 of 4096 (1,1,2,2,0,1) R1F-M0-N03-J19
Task 1858 of 4096 (1,1,2,2,0,2) R1F-M0-N03-J19
Task 1859 of 4096 (1,1,2,2,0,3) R1F-M0-N03-J19
Task 1860 of 4096 (1,1,2,2,0,4) R1F-M0-N03-J19
Task 1861 of 4096 (1,1,2,2,0,5) R1F-M0-N03-J19
Task 1862 of 4096 (1,1,2,2,0,6) R1F-M0-N03-J19
Task 1863 of 4096 (1,1,2,2,0,7) R1F-M0-N03-J19
Task 1864 of 4096 (1,1,2,2,0,8) R1F-M0-N03-J19
Task 1865 of 4096 (1,1,2,2,0,9) R1F-M0-N03-J19
Task 1866 of 4096 (1,1,2,2,0,10) R1F-M0-N03-J19
Task 1867 of 4096 (1,1,2,2,0,11) R1F-M0-N03-J19
Task 1868 of 4096 (1,1,2,2,0,12) R1F-M0-N03-J19
Task 1869 of 4096 (1,1,2,2,0,13) R1F-M0-N03-J19
Task 1870 of 4096 (1,1,2,2,0,14) R1F-M0-N03-J19
Task 1871 of 4096 (1,1,2,2,0,15) R1F-M0-N03-J19
Task 1872 of 4096 (1,1,2,2,1,0) R1F-M0-N03-J20
Task 1873 of 4096 (1,1,2,2,1,1) R1F-M0-N03-J20
Task 1874 of 4096 (1,1,2,2,1,2) R1F-M0-N03-J20
Task 1875 of 4096 (1,1,2,2,1,3) R1F-M0-N03-J20
Task 1876 of 4096 (1,1,2,2,1,4) R1F-M0-N03-J20
Task 1877 of 4096 (1,1,2,2,1,5) R1F-M0-N03-J20
Task 1878 of 4096 (1,1,2,2,1,6) R1F-M0-N03-J20
Task 1879 of 4096 (1,1,2,2,1,7) R1F-M0-N03-J20
Task 1880 of 4096 (1,1,2,2,1,8) R1F-M0-N03-J20
Task 1881 of 4096 (1,1,2,2,1,9) R1F-M0-N03-J20
Task 1882 of 4096 (1,1,2,2,1,10) R1F-M0-N03-J20
Task 1883 of 4096 (1,1,2,2,1,11) R1F-M0-N03-J20
Task 1884 of 4096 (1,1,2,2,1,12) R1F-M0-N03-J20
Task 1885 of 4096 (1,1,2,2,1,13) R1F-M0-N03-J20
Task 1886 of 4096 (1,1,2,2,1,14) R1F-M0-N03-J20
Task 1887 of 4096 (1,1,2,2,1,15) R1F-M0-N03-J20
Task 1888 of 4096 (1,1,2,3,0,0) R1F-M0-N03-J31
Task 1889 of 4096 (1,1,2,3,0,1) R1F-M0-N03-J31
Task 1890 of 4096 (1,1,2,3,0,2) R1F-M0-N03-J31
Task 1891 of 4096 (1,1,2,3,0,3) R1F-M0-N03-J31
Task 1892 of 4096 (1,1,2,3,0,4) R1F-M0-N03-J31
Task 1893 of 4096 (1,1,2,3,0,5) R1F-M0-N03-J31
Task 1894 of 4096 (1,1,2,3,0,6) R1F-M0-N03-J31
Task 1895 of 4096 (1,1,2,3,0,7) R1F-M0-N03-J31
Task 1896 of 4096 (1,1,2,3,0,8) R1F-M0-N03-J31
Task 1897 of 4096 (1,1,2,3,0,9) R1F-M0-N03-J31
Task 1898 of 4096 (1,1,2,3,0,10) R1F-M0-N03-J31
Task 1899 of 4096 (1,1,2,3,0,11) R1F-M0-N03-J31
Task 1900 of 4096 (1,1,2,3,0,12) R1F-M0-N03-J31
Task 1901 of 4096 (1,1,2,3,0,13) R1F-M0-N03-J31
Task 1902 of 4096 (1,1,2,3,0,14) R1F-M0-N03-J31
Task 1903 of 4096 (1,1,2,3,0,15) R1F-M0-N03-J31
Task 1904 of 4096 (1,1,2,3,1,0) R1F-M0-N03-J24
Task 1905 of 4096 (1,1,2,3,1,1) R1F-M0-N03-J24
Task 1906 of 4096 (1,1,2,3,1,2) R1F-M0-N03-J24
Task 1907 of 4096 (1,1,2,3,1,3) R1F-M0-N03-J24
Task 1908 of 4096 (1,1,2,3,1,4) R1F-M0-N03-J24
Task 1909 of 4096 (1,1,2,3,1,5) R1F-M0-N03-J24
Task 1910 of 4096 (1,1,2,3,1,6) R1F-M0-N03-J24
Task 1911 of 4096 (1,1,2,3,1,7) R1F-M0-N03-J24
Task 1912 of 4096 (1,1,2,3,1,8) R1F-M0-N03-J24
Task 1913 of 4096 (1,1,2,3,1,9) R1F-M0-N03-J24
Task 1914 of 4096 (1,1,2,3,1,10) R1F-M0-N03-J24
Task 1915 of 4096 (1,1,2,3,1,11) R1F-M0-N03-J24
Task 1916 of 4096 (1,1,2,3,1,12) R1F-M0-N03-J24
Task 1917 of 4096 (1,1,2,3,1,13) R1F-M0-N03-J24
Task 1918 of 4096 (1,1,2,3,1,14) R1F-M0-N03-J24
Task 1919 of 4096 (1,1,2,3,1,15) R1F-M0-N03-J24
Task 1920 of 4096 (1,1,3,0,0,0) R1F-M0-N01-J30
Task 1921 of 4096 (1,1,3,0,0,1) R1F-M0-N01-J30
Task 1922 of 4096 (1,1,3,0,0,2) R1F-M0-N01-J30
Task 1923 of 4096 (1,1,3,0,0,3) R1F-M0-N01-J30
Task 1924 of 4096 (1,1,3,0,0,4) R1F-M0-N01-J30
Task 1925 of 4096 (1,1,3,0,0,5) R1F-M0-N01-J30
Task 1926 of 4096 (1,1,3,0,0,6) R1F-M0-N01-J30
Task 1927 of 4096 (1,1,3,0,0,7) R1F-M0-N01-J30
Task 1928 of 4096 (1,1,3,0,0,8) R1F-M0-N01-J30
Task 1929 of 4096 (1,1,3,0,0,9) R1F-M0-N01-J30
Task 1930 of 4096 (1,1,3,0,0,10) R1F-M0-N01-J30
Task 1931 of 4096 (1,1,3,0,0,11) R1F-M0-N01-J30
Task 1932 of 4096 (1,1,3,0,0,12) R1F-M0-N01-J30
Task 1933 of 4096 (1,1,3,0,0,13) R1F-M0-N01-J30
Task 1934 of 4096 (1,1,3,0,0,14) R1F-M0-N01-J30
Task 1935 of 4096 (1,1,3,0,0,15) R1F-M0-N01-J30
Task 1936 of 4096 (1,1,3,0,1,0) R1F-M0-N01-J25
Task 1937 of 4096 (1,1,3,0,1,1) R1F-M0-N01-J25
Task 1938 of 4096 (1,1,3,0,1,2) R1F-M0-N01-J25
Task 1939 of 4096 (1,1,3,0,1,3) R1F-M0-N01-J25
Task 1940 of 4096 (1,1,3,0,1,4) R1F-M0-N01-J25
Task 1941 of 4096 (1,1,3,0,1,5) R1F-M0-N01-J25
Task 1942 of 4096 (1,1,3,0,1,6) R1F-M0-N01-J25
Task 1943 of 4096 (1,1,3,0,1,7) R1F-M0-N01-J25
Task 1944 of 4096 (1,1,3,0,1,8) R1F-M0-N01-J25
Task 1945 of 4096 (1,1,3,0,1,9) R1F-M0-N01-J25
Task 1946 of 4096 (1,1,3,0,1,10) R1F-M0-N01-J25
Task 1947 of 4096 (1,1,3,0,1,11) R1F-M0-N01-J25
Task 1948 of 4096 (1,1,3,0,1,12) R1F-M0-N01-J25
Task 1949 of 4096 (1,1,3,0,1,13) R1F-M0-N01-J25
Task 1950 of 4096 (1,1,3,0,1,14) R1F-M0-N01-J25
Task 1951 of 4096 (1,1,3,0,1,15) R1F-M0-N01-J25
Task 1952 of 4096 (1,1,3,1,0,0) R1F-M0-N01-J18
Task 1953 of 4096 (1,1,3,1,0,1) R1F-M0-N01-J18
Task 1954 of 4096 (1,1,3,1,0,2) R1F-M0-N01-J18
Task 1955 of 4096 (1,1,3,1,0,3) R1F-M0-N01-J18
Task 1956 of 4096 (1,1,3,1,0,4) R1F-M0-N01-J18
Task 1957 of 4096 (1,1,3,1,0,5) R1F-M0-N01-J18
Task 1958 of 4096 (1,1,3,1,0,6) R1F-M0-N01-J18
Task 1959 of 4096 (1,1,3,1,0,7) R1F-M0-N01-J18
Task 1960 of 4096 (1,1,3,1,0,8) R1F-M0-N01-J18
Task 1961 of 4096 (1,1,3,1,0,9) R1F-M0-N01-J18
Task 1962 of 4096 (1,1,3,1,0,10) R1F-M0-N01-J18
Task 1963 of 4096 (1,1,3,1,0,11) R1F-M0-N01-J18
Task 1964 of 4096 (1,1,3,1,0,12) R1F-M0-N01-J18
Task 1965 of 4096 (1,1,3,1,0,13) R1F-M0-N01-J18
Task 1966 of 4096 (1,1,3,1,0,14) R1F-M0-N01-J18
Task 1967 of 4096 (1,1,3,1,0,15) R1F-M0-N01-J18
Task 1968 of 4096 (1,1,3,1,1,0) R1F-M0-N01-J21
Task 1969 of 4096 (1,1,3,1,1,1) R1F-M0-N01-J21
Task 1970 of 4096 (1,1,3,1,1,2) R1F-M0-N01-J21
Task 1971 of 4096 (1,1,3,1,1,3) R1F-M0-N01-J21
Task 1972 of 4096 (1,1,3,1,1,4) R1F-M0-N01-J21
Task 1973 of 4096 (1,1,3,1,1,5) R1F-M0-N01-J21
Task 1974 of 4096 (1,1,3,1,1,6) R1F-M0-N01-J21
Task 1975 of 4096 (1,1,3,1,1,7) R1F-M0-N01-J21
Task 1976 of 4096 (1,1,3,1,1,8) R1F-M0-N01-J21
Task 1977 of 4096 (1,1,3,1,1,9) R1F-M0-N01-J21
Task 1978 of 4096 (1,1,3,1,1,10) R1F-M0-N01-J21
Task 1979 of 4096 (1,1,3,1,1,11) R1F-M0-N01-J21
Task 1980 of 4096 (1,1,3,1,1,12) R1F-M0-N01-J21
Task 1981 of 4096 (1,1,3,1,1,13) R1F-M0-N01-J21
Task 1982 of 4096 (1,1,3,1,1,14) R1F-M0-N01-J21
Task 1983 of 4096 (1,1,3,1,1,15) R1F-M0-N01-J21
Task 1984 of 4096 (1,1,3,2,0,0) R1F-M0-N03-J18
Task 1985 of 4096 (1,1,3,2,0,1) R1F-M0-N03-J18
Task 1986 of 4096 (1,1,3,2,0,2) R1F-M0-N03-J18
Task 1987 of 4096 (1,1,3,2,0,3) R1F-M0-N03-J18
Task 1988 of 4096 (1,1,3,2,0,4) R1F-M0-N03-J18
Task 1989 of 4096 (1,1,3,2,0,5) R1F-M0-N03-J18
Task 1990 of 4096 (1,1,3,2,0,6) R1F-M0-N03-J18
Task 1991 of 4096 (1,1,3,2,0,7) R1F-M0-N03-J18
Task 1992 of 4096 (1,1,3,2,0,8) R1F-M0-N03-J18
Task 1993 of 4096 (1,1,3,2,0,9) R1F-M0-N03-J18
Task 1994 of 4096 (1,1,3,2,0,10) R1F-M0-N03-J18
Task 1995 of 4096 (1,1,3,2,0,11) R1F-M0-N03-J18
Task 1996 of 4096 (1,1,3,2,0,12) R1F-M0-N03-J18
Task 1997 of 4096 (1,1,3,2,0,13) R1F-M0-N03-J18
Task 1998 of 4096 (1,1,3,2,0,14) R1F-M0-N03-J18
Task 1999 of 4096 (1,1,3,2,0,15) R1F-M0-N03-J18
Task 2000 of 4096 (1,1,3,2,1,0) R1F-M0-N03-J21
Task 2001 of 4096 (1,1,3,2,1,1) R1F-M0-N03-J21
Task 2002 of 4096 (1,1,3,2,1,2) R1F-M0-N03-J21
Task 2003 of 4096 (1,1,3,2,1,3) R1F-M0-N03-J21
Task 2004 of 4096 (1,1,3,2,1,4) R1F-M0-N03-J21
Task 2005 of 4096 (1,1,3,2,1,5) R1F-M0-N03-J21
Task 2006 of 4096 (1,1,3,2,1,6) R1F-M0-N03-J21
Task 2007 of 4096 (1,1,3,2,1,7) R1F-M0-N03-J21
Task 2008 of 4096 (1,1,3,2,1,8) R1F-M0-N03-J21
Task 2009 of 4096 (1,1,3,2,1,9) R1F-M0-N03-J21
Task 2010 of 4096 (1,1,3,2,1,10) R1F-M0-N03-J21
Task 2011 of 4096 (1,1,3,2,1,11) R1F-M0-N03-J21
Task 2012 of 4096 (1,1,3,2,1,12) R1F-M0-N03-J21
Task 2013 of 4096 (1,1,3,2,1,13) R1F-M0-N03-J21
Task 2014 of 4096 (1,1,3,2,1,14) R1F-M0-N03-J21
Task 2015 of 4096 (1,1,3,2,1,15) R1F-M0-N03-J21
Task 2016 of 4096 (1,1,3,3,0,0) R1F-M0-N03-J30
Task 2017 of 4096 (1,1,3,3,0,1) R1F-M0-N03-J30
Task 2018 of 4096 (1,1,3,3,0,2) R1F-M0-N03-J30
Task 2019 of 4096 (1,1,3,3,0,3) R1F-M0-N03-J30
Task 2020 of 4096 (1,1,3,3,0,4) R1F-M0-N03-J30
Task 2021 of 4096 (1,1,3,3,0,5) R1F-M0-N03-J30
Task 2022 of 4096 (1,1,3,3,0,6) R1F-M0-N03-J30
Task 2023 of 4096 (1,1,3,3,0,7) R1F-M0-N03-J30
Task 2024 of 4096 (1,1,3,3,0,8) R1F-M0-N03-J30
Task 2025 of 4096 (1,1,3,3,0,9) R1F-M0-N03-J30
Task 2026 of 4096 (1,1,3,3,0,10) R1F-M0-N03-J30
Task 2027 of 4096 (1,1,3,3,0,11) R1F-M0-N03-J30
Task 2028 of 4096 (1,1,3,3,0,12) R1F-M0-N03-J30
Task 2029 of 4096 (1,1,3,3,0,13) R1F-M0-N03-J30
Task 2030 of 4096 (1,1,3,3,0,14) R1F-M0-N03-J30
Task 2031 of 4096 (1,1,3,3,0,15) R1F-M0-N03-J30
Task 2032 of 4096 (1,1,3,3,1,0) R1F-M0-N03-J25
Task 2033 of 4096 (1,1,3,3,1,1) R1F-M0-N03-J25
Task 2034 of 4096 (1,1,3,3,1,2) R1F-M0-N03-J25
Task 2035 of 4096 (1,1,3,3,1,3) R1F-M0-N03-J25
Task 2036 of 4096 (1,1,3,3,1,4) R1F-M0-N03-J25
Task 2037 of 4096 (1,1,3,3,1,5) R1F-M0-N03-J25
Task 2038 of 4096 (1,1,3,3,1,6) R1F-M0-N03-J25
Task 2039 of 4096 (1,1,3,3,1,7) R1F-M0-N03-J25
Task 2040 of 4096 (1,1,3,3,1,8) R1F-M0-N03-J25
Task 2041 of 4096 (1,1,3,3,1,9) R1F-M0-N03-J25
Task 2042 of 4096 (1,1,3,3,1,10) R1F-M0-N03-J25
Task 2043 of 4096 (1,1,3,3,1,11) R1F-M0-N03-J25
Task 2044 of 4096 (1,1,3,3,1,12) R1F-M0-N03-J25
Task 2045 of 4096 (1,1,3,3,1,13) R1F-M0-N03-J25
Task 2046 of 4096 (1,1,3,3,1,14) R1F-M0-N03-J25
Task 2047 of 4096 (1,1,3,3,1,15) R1F-M0-N03-J25
Task 2048 of 4096 (2,0,0,0,0,0) R1F-M0-N04-J29
Task 2049 of 4096 (2,0,0,0,0,1) R1F-M0-N04-J29
Task 2050 of 4096 (2,0,0,0,0,2) R1F-M0-N04-J29
Task 2051 of 4096 (2,0,0,0,0,3) R1F-M0-N04-J29
Task 2052 of 4096 (2,0,0,0,0,4) R1F-M0-N04-J29
Task 2053 of 4096 (2,0,0,0,0,5) R1F-M0-N04-J29
Task 2054 of 4096 (2,0,0,0,0,6) R1F-M0-N04-J29
Task 2055 of 4096 (2,0,0,0,0,7) R1F-M0-N04-J29
Task 2056 of 4096 (2,0,0,0,0,8) R1F-M0-N04-J29
Task 2057 of 4096 (2,0,0,0,0,9) R1F-M0-N04-J29
Task 2058 of 4096 (2,0,0,0,0,10) R1F-M0-N04-J29
Task 2059 of 4096 (2,0,0,0,0,11) R1F-M0-N04-J29
Task 2060 of 4096 (2,0,0,0,0,12) R1F-M0-N04-J29
Task 2061 of 4096 (2,0,0,0,0,13) R1F-M0-N04-J29
Task 2062 of 4096 (2,0,0,0,0,14) R1F-M0-N04-J29
Task 2063 of 4096 (2,0,0,0,0,15) R1F-M0-N04-J29
Task 2064 of 4096 (2,0,0,0,1,0) R1F-M0-N04-J26
Task 2065 of 4096 (2,0,0,0,1,1) R1F-M0-N04-J26
Task 2066 of 4096 (2,0,0,0,1,2) R1F-M0-N04-J26
Task 2067 of 4096 (2,0,0,0,1,3) R1F-M0-N04-J26
Task 2068 of 4096 (2,0,0,0,1,4) R1F-M0-N04-J26
Task 2069 of 4096 (2,0,0,0,1,5) R1F-M0-N04-J26
Task 2070 of 4096 (2,0,0,0,1,6) R1F-M0-N04-J26
Task 2071 of 4096 (2,0,0,0,1,7) R1F-M0-N04-J26
Task 2072 of 4096 (2,0,0,0,1,8) R1F-M0-N04-J26
Task 2073 of 4096 (2,0,0,0,1,9) R1F-M0-N04-J26
Task 2074 of 4096 (2,0,0,0,1,10) R1F-M0-N04-J26
Task 2075 of 4096 (2,0,0,0,1,11) R1F-M0-N04-J26
Task 2076 of 4096 (2,0,0,0,1,12) R1F-M0-N04-J26
Task 2077 of 4096 (2,0,0,0,1,13) R1F-M0-N04-J26
Task 2078 of 4096 (2,0,0,0,1,14) R1F-M0-N04-J26
Task 2079 of 4096 (2,0,0,0,1,15) R1F-M0-N04-J26
Task 2080 of 4096 (2,0,0,1,0,0) R1F-M0-N04-J17
Task 2081 of 4096 (2,0,0,1,0,1) R1F-M0-N04-J17
Task 2082 of 4096 (2,0,0,1,0,2) R1F-M0-N04-J17
Task 2083 of 4096 (2,0,0,1,0,3) R1F-M0-N04-J17
Task 2084 of 4096 (2,0,0,1,0,4) R1F-M0-N04-J17
Task 2085 of 4096 (2,0,0,1,0,5) R1F-M0-N04-J17
Task 2086 of 4096 (2,0,0,1,0,6) R1F-M0-N04-J17
Task 2087 of 4096 (2,0,0,1,0,7) R1F-M0-N04-J17
Task 2088 of 4096 (2,0,0,1,0,8) R1F-M0-N04-J17
Task 2089 of 4096 (2,0,0,1,0,9) R1F-M0-N04-J17
Task 2090 of 4096 (2,0,0,1,0,10) R1F-M0-N04-J17
Task 2091 of 4096 (2,0,0,1,0,11) R1F-M0-N04-J17
Task 2092 of 4096 (2,0,0,1,0,12) R1F-M0-N04-J17
Task 2093 of 4096 (2,0,0,1,0,13) R1F-M0-N04-J17
Task 2094 of 4096 (2,0,0,1,0,14) R1F-M0-N04-J17
Task 2095 of 4096 (2,0,0,1,0,15) R1F-M0-N04-J17
Task 2096 of 4096 (2,0,0,1,1,0) R1F-M0-N04-J22
Task 2097 of 4096 (2,0,0,1,1,1) R1F-M0-N04-J22
Task 2098 of 4096 (2,0,0,1,1,2) R1F-M0-N04-J22
Task 2099 of 4096 (2,0,0,1,1,3) R1F-M0-N04-J22
Task 2100 of 4096 (2,0,0,1,1,4) R1F-M0-N04-J22
Task 2101 of 4096 (2,0,0,1,1,5) R1F-M0-N04-J22
Task 2102 of 4096 (2,0,0,1,1,6) R1F-M0-N04-J22
Task 2103 of 4096 (2,0,0,1,1,7) R1F-M0-N04-J22
Task 2104 of 4096 (2,0,0,1,1,8) R1F-M0-N04-J22
Task 2105 of 4096 (2,0,0,1,1,9) R1F-M0-N04-J22
Task 2106 of 4096 (2,0,0,1,1,10) R1F-M0-N04-J22
Task 2107 of 4096 (2,0,0,1,1,11) R1F-M0-N04-J22
Task 2108 of 4096 (2,0,0,1,1,12) R1F-M0-N04-J22
Task 2109 of 4096 (2,0,0,1,1,13) R1F-M0-N04-J22
Task 2110 of 4096 (2,0,0,1,1,14) R1F-M0-N04-J22
Task 2111 of 4096 (2,0,0,1,1,15) R1F-M0-N04-J22
Task 2112 of 4096 (2,0,0,2,0,0) R1F-M0-N06-J17
Task 2113 of 4096 (2,0,0,2,0,1) R1F-M0-N06-J17
Task 2114 of 4096 (2,0,0,2,0,2) R1F-M0-N06-J17
Task 2115 of 4096 (2,0,0,2,0,3) R1F-M0-N06-J17
Task 2116 of 4096 (2,0,0,2,0,4) R1F-M0-N06-J17
Task 2117 of 4096 (2,0,0,2,0,5) R1F-M0-N06-J17
Task 2118 of 4096 (2,0,0,2,0,6) R1F-M0-N06-J17
Task 2119 of 4096 (2,0,0,2,0,7) R1F-M0-N06-J17
Task 2120 of 4096 (2,0,0,2,0,8) R1F-M0-N06-J17
Task 2121 of 4096 (2,0,0,2,0,9) R1F-M0-N06-J17
Task 2122 of 4096 (2,0,0,2,0,10) R1F-M0-N06-J17
Task 2123 of 4096 (2,0,0,2,0,11) R1F-M0-N06-J17
Task 2124 of 4096 (2,0,0,2,0,12) R1F-M0-N06-J17
Task 2125 of 4096 (2,0,0,2,0,13) R1F-M0-N06-J17
Task 2126 of 4096 (2,0,0,2,0,14) R1F-M0-N06-J17
Task 2127 of 4096 (2,0,0,2,0,15) R1F-M0-N06-J17
Task 2128 of 4096 (2,0,0,2,1,0) R1F-M0-N06-J22
Task 2129 of 4096 (2,0,0,2,1,1) R1F-M0-N06-J22
Task 2130 of 4096 (2,0,0,2,1,2) R1F-M0-N06-J22
Task 2131 of 4096 (2,0,0,2,1,3) R1F-M0-N06-J22
Task 2132 of 4096 (2,0,0,2,1,4) R1F-M0-N06-J22
Task 2133 of 4096 (2,0,0,2,1,5) R1F-M0-N06-J22
Task 2134 of 4096 (2,0,0,2,1,6) R1F-M0-N06-J22
Task 2135 of 4096 (2,0,0,2,1,7) R1F-M0-N06-J22
Task 2136 of 4096 (2,0,0,2,1,8) R1F-M0-N06-J22
Task 2137 of 4096 (2,0,0,2,1,9) R1F-M0-N06-J22
Task 2138 of 4096 (2,0,0,2,1,10) R1F-M0-N06-J22
Task 2139 of 4096 (2,0,0,2,1,11) R1F-M0-N06-J22
Task 2140 of 4096 (2,0,0,2,1,12) R1F-M0-N06-J22
Task 2141 of 4096 (2,0,0,2,1,13) R1F-M0-N06-J22
Task 2142 of 4096 (2,0,0,2,1,14) R1F-M0-N06-J22
Task 2143 of 4096 (2,0,0,2,1,15) R1F-M0-N06-J22
Task 2144 of 4096 (2,0,0,3,0,0) R1F-M0-N06-J29
Task 2145 of 4096 (2,0,0,3,0,1) R1F-M0-N06-J29
Task 2146 of 4096 (2,0,0,3,0,2) R1F-M0-N06-J29
Task 2147 of 4096 (2,0,0,3,0,3) R1F-M0-N06-J29
Task 2148 of 4096 (2,0,0,3,0,4) R1F-M0-N06-J29
Task 2149 of 4096 (2,0,0,3,0,5) R1F-M0-N06-J29
Task 2150 of 4096 (2,0,0,3,0,6) R1F-M0-N06-J29
Task 2151 of 4096 (2,0,0,3,0,7) R1F-M0-N06-J29
Task 2152 of 4096 (2,0,0,3,0,8) R1F-M0-N06-J29
Task 2153 of 4096 (2,0,0,3,0,9) R1F-M0-N06-J29
Task 2154 of 4096 (2,0,0,3,0,10) R1F-M0-N06-J29
Task 2155 of 4096 (2,0,0,3,0,11) R1F-M0-N06-J29
Task 2156 of 4096 (2,0,0,3,0,12) R1F-M0-N06-J29
Task 2157 of 4096 (2,0,0,3,0,13) R1F-M0-N06-J29
Task 2158 of 4096 (2,0,0,3,0,14) R1F-M0-N06-J29
Task 2159 of 4096 (2,0,0,3,0,15) R1F-M0-N06-J29
Task 2160 of 4096 (2,0,0,3,1,0) R1F-M0-N06-J26
Task 2161 of 4096 (2,0,0,3,1,1) R1F-M0-N06-J26
Task 2162 of 4096 (2,0,0,3,1,2) R1F-M0-N06-J26
Task 2163 of 4096 (2,0,0,3,1,3) R1F-M0-N06-J26
Task 2164 of 4096 (2,0,0,3,1,4) R1F-M0-N06-J26
Task 2165 of 4096 (2,0,0,3,1,5) R1F-M0-N06-J26
Task 2166 of 4096 (2,0,0,3,1,6) R1F-M0-N06-J26
Task 2167 of 4096 (2,0,0,3,1,7) R1F-M0-N06-J26
Task 2168 of 4096 (2,0,0,3,1,8) R1F-M0-N06-J26
Task 2169 of 4096 (2,0,0,3,1,9) R1F-M0-N06-J26
Task 2170 of 4096 (2,0,0,3,1,10) R1F-M0-N06-J26
Task 2171 of 4096 (2,0,0,3,1,11) R1F-M0-N06-J26
Task 2172 of 4096 (2,0,0,3,1,12) R1F-M0-N06-J26
Task 2173 of 4096 (2,0,0,3,1,13) R1F-M0-N06-J26
Task 2174 of 4096 (2,0,0,3,1,14) R1F-M0-N06-J26
Task 2175 of 4096 (2,0,0,3,1,15) R1F-M0-N06-J26
Task 2176 of 4096 (2,0,1,0,0,0) R1F-M0-N04-J28
Task 2177 of 4096 (2,0,1,0,0,1) R1F-M0-N04-J28
Task 2178 of 4096 (2,0,1,0,0,2) R1F-M0-N04-J28
Task 2179 of 4096 (2,0,1,0,0,3) R1F-M0-N04-J28
Task 2180 of 4096 (2,0,1,0,0,4) R1F-M0-N04-J28
Task 2181 of 4096 (2,0,1,0,0,5) R1F-M0-N04-J28
Task 2182 of 4096 (2,0,1,0,0,6) R1F-M0-N04-J28
Task 2183 of 4096 (2,0,1,0,0,7) R1F-M0-N04-J28
Task 2184 of 4096 (2,0,1,0,0,8) R1F-M0-N04-J28
Task 2185 of 4096 (2,0,1,0,0,9) R1F-M0-N04-J28
Task 2186 of 4096 (2,0,1,0,0,10) R1F-M0-N04-J28
Task 2187 of 4096 (2,0,1,0,0,11) R1F-M0-N04-J28
Task 2188 of 4096 (2,0,1,0,0,12) R1F-M0-N04-J28
Task 2189 of 4096 (2,0,1,0,0,13) R1F-M0-N04-J28
Task 2190 of 4096 (2,0,1,0,0,14) R1F-M0-N04-J28
Task 2191 of 4096 (2,0,1,0,0,15) R1F-M0-N04-J28
Task 2192 of 4096 (2,0,1,0,1,0) R1F-M0-N04-J27
Task 2193 of 4096 (2,0,1,0,1,1) R1F-M0-N04-J27
Task 2194 of 4096 (2,0,1,0,1,2) R1F-M0-N04-J27
Task 2195 of 4096 (2,0,1,0,1,3) R1F-M0-N04-J27
Task 2196 of 4096 (2,0,1,0,1,4) R1F-M0-N04-J27
Task 2197 of 4096 (2,0,1,0,1,5) R1F-M0-N04-J27
Task 2198 of 4096 (2,0,1,0,1,6) R1F-M0-N04-J27
Task 2199 of 4096 (2,0,1,0,1,7) R1F-M0-N04-J27
Task 2200 of 4096 (2,0,1,0,1,8) R1F-M0-N04-J27
Task 2201 of 4096 (2,0,1,0,1,9) R1F-M0-N04-J27
Task 2202 of 4096 (2,0,1,0,1,10) R1F-M0-N04-J27
Task 2203 of 4096 (2,0,1,0,1,11) R1F-M0-N04-J27
Task 2204 of 4096 (2,0,1,0,1,12) R1F-M0-N04-J27
Task 2205 of 4096 (2,0,1,0,1,13) R1F-M0-N04-J27
Task 2206 of 4096 (2,0,1,0,1,14) R1F-M0-N04-J27
Task 2207 of 4096 (2,0,1,0,1,15) R1F-M0-N04-J27
Task 2208 of 4096 (2,0,1,1,0,0) R1F-M0-N04-J16
Task 2209 of 4096 (2,0,1,1,0,1) R1F-M0-N04-J16
Task 2210 of 4096 (2,0,1,1,0,2) R1F-M0-N04-J16
Task 2211 of 4096 (2,0,1,1,0,3) R1F-M0-N04-J16
Task 2212 of 4096 (2,0,1,1,0,4) R1F-M0-N04-J16
Task 2213 of 4096 (2,0,1,1,0,5) R1F-M0-N04-J16
Task 2214 of 4096 (2,0,1,1,0,6) R1F-M0-N04-J16
Task 2215 of 4096 (2,0,1,1,0,7) R1F-M0-N04-J16
Task 2216 of 4096 (2,0,1,1,0,8) R1F-M0-N04-J16
Task 2217 of 4096 (2,0,1,1,0,9) R1F-M0-N04-J16
Task 2218 of 4096 (2,0,1,1,0,10) R1F-M0-N04-J16
Task 2219 of 4096 (2,0,1,1,0,11) R1F-M0-N04-J16
Task 2220 of 4096 (2,0,1,1,0,12) R1F-M0-N04-J16
Task 2221 of 4096 (2,0,1,1,0,13) R1F-M0-N04-J16
Task 2222 of 4096 (2,0,1,1,0,14) R1F-M0-N04-J16
Task 2223 of 4096 (2,0,1,1,0,15) R1F-M0-N04-J16
Task 2224 of 4096 (2,0,1,1,1,0) R1F-M0-N04-J23
Task 2225 of 4096 (2,0,1,1,1,1) R1F-M0-N04-J23
Task 2226 of 4096 (2,0,1,1,1,2) R1F-M0-N04-J23
Task 2227 of 4096 (2,0,1,1,1,3) R1F-M0-N04-J23
Task 2228 of 4096 (2,0,1,1,1,4) R1F-M0-N04-J23
Task 2229 of 4096 (2,0,1,1,1,5) R1F-M0-N04-J23
Task 2230 of 4096 (2,0,1,1,1,6) R1F-M0-N04-J23
Task 2231 of 4096 (2,0,1,1,1,7) R1F-M0-N04-J23
Task 2232 of 4096 (2,0,1,1,1,8) R1F-M0-N04-J23
Task 2233 of 4096 (2,0,1,1,1,9) R1F-M0-N04-J23
Task 2234 of 4096 (2,0,1,1,1,10) R1F-M0-N04-J23
Task 2235 of 4096 (2,0,1,1,1,11) R1F-M0-N04-J23
Task 2236 of 4096 (2,0,1,1,1,12) R1F-M0-N04-J23
Task 2237 of 4096 (2,0,1,1,1,13) R1F-M0-N04-J23
Task 2238 of 4096 (2,0,1,1,1,14) R1F-M0-N04-J23
Task 2239 of 4096 (2,0,1,1,1,15) R1F-M0-N04-J23
Task 2240 of 4096 (2,0,1,2,0,0) R1F-M0-N06-J16
Task 2241 of 4096 (2,0,1,2,0,1) R1F-M0-N06-J16
Task 2242 of 4096 (2,0,1,2,0,2) R1F-M0-N06-J16
Task 2243 of 4096 (2,0,1,2,0,3) R1F-M0-N06-J16
Task 2244 of 4096 (2,0,1,2,0,4) R1F-M0-N06-J16
Task 2245 of 4096 (2,0,1,2,0,5) R1F-M0-N06-J16
Task 2246 of 4096 (2,0,1,2,0,6) R1F-M0-N06-J16
Task 2247 of 4096 (2,0,1,2,0,7) R1F-M0-N06-J16
Task 2248 of 4096 (2,0,1,2,0,8) R1F-M0-N06-J16
Task 2249 of 4096 (2,0,1,2,0,9) R1F-M0-N06-J16
Task 2250 of 4096 (2,0,1,2,0,10) R1F-M0-N06-J16
Task 2251 of 4096 (2,0,1,2,0,11) R1F-M0-N06-J16
Task 2252 of 4096 (2,0,1,2,0,12) R1F-M0-N06-J16
Task 2253 of 4096 (2,0,1,2,0,13) R1F-M0-N06-J16
Task 2254 of 4096 (2,0,1,2,0,14) R1F-M0-N06-J16
Task 2255 of 4096 (2,0,1,2,0,15) R1F-M0-N06-J16
Task 2256 of 4096 (2,0,1,2,1,0) R1F-M0-N06-J23
Task 2257 of 4096 (2,0,1,2,1,1) R1F-M0-N06-J23
Task 2258 of 4096 (2,0,1,2,1,2) R1F-M0-N06-J23
Task 2259 of 4096 (2,0,1,2,1,3) R1F-M0-N06-J23
Task 2260 of 4096 (2,0,1,2,1,4) R1F-M0-N06-J23
Task 2261 of 4096 (2,0,1,2,1,5) R1F-M0-N06-J23
Task 2262 of 4096 (2,0,1,2,1,6) R1F-M0-N06-J23
Task 2263 of 4096 (2,0,1,2,1,7) R1F-M0-N06-J23
Task 2264 of 4096 (2,0,1,2,1,8) R1F-M0-N06-J23
Task 2265 of 4096 (2,0,1,2,1,9) R1F-M0-N06-J23
Task 2266 of 4096 (2,0,1,2,1,10) R1F-M0-N06-J23
Task 2267 of 4096 (2,0,1,2,1,11) R1F-M0-N06-J23
Task 2268 of 4096 (2,0,1,2,1,12) R1F-M0-N06-J23
Task 2269 of 4096 (2,0,1,2,1,13) R1F-M0-N06-J23
Task 2270 of 4096 (2,0,1,2,1,14) R1F-M0-N06-J23
Task 2271 of 4096 (2,0,1,2,1,15) R1F-M0-N06-J23
Task 2272 of 4096 (2,0,1,3,0,0) R1F-M0-N06-J28
Task 2273 of 4096 (2,0,1,3,0,1) R1F-M0-N06-J28
Task 2274 of 4096 (2,0,1,3,0,2) R1F-M0-N06-J28
Task 2275 of 4096 (2,0,1,3,0,3) R1F-M0-N06-J28
Task 2276 of 4096 (2,0,1,3,0,4) R1F-M0-N06-J28
Task 2277 of 4096 (2,0,1,3,0,5) R1F-M0-N06-J28
Task 2278 of 4096 (2,0,1,3,0,6) R1F-M0-N06-J28
Task 2279 of 4096 (2,0,1,3,0,7) R1F-M0-N06-J28
Task 2280 of 4096 (2,0,1,3,0,8) R1F-M0-N06-J28
Task 2281 of 4096 (2,0,1,3,0,9) R1F-M0-N06-J28
Task 2282 of 4096 (2,0,1,3,0,10) R1F-M0-N06-J28
Task 2283 of 4096 (2,0,1,3,0,11) R1F-M0-N06-J28
Task 2284 of 4096 (2,0,1,3,0,12) R1F-M0-N06-J28
Task 2285 of 4096 (2,0,1,3,0,13) R1F-M0-N06-J28
Task 2286 of 4096 (2,0,1,3,0,14) R1F-M0-N06-J28
Task 2287 of 4096 (2,0,1,3,0,15) R1F-M0-N06-J28
Task 2288 of 4096 (2,0,1,3,1,0) R1F-M0-N06-J27
Task 2289 of 4096 (2,0,1,3,1,1) R1F-M0-N06-J27
Task 2290 of 4096 (2,0,1,3,1,2) R1F-M0-N06-J27
Task 2291 of 4096 (2,0,1,3,1,3) R1F-M0-N06-J27
Task 2292 of 4096 (2,0,1,3,1,4) R1F-M0-N06-J27
Task 2293 of 4096 (2,0,1,3,1,5) R1F-M0-N06-J27
Task 2294 of 4096 (2,0,1,3,1,6) R1F-M0-N06-J27
Task 2295 of 4096 (2,0,1,3,1,7) R1F-M0-N06-J27
Task 2296 of 4096 (2,0,1,3,1,8) R1F-M0-N06-J27
Task 2297 of 4096 (2,0,1,3,1,9) R1F-M0-N06-J27
Task 2298 of 4096 (2,0,1,3,1,10) R1F-M0-N06-J27
Task 2299 of 4096 (2,0,1,3,1,11) R1F-M0-N06-J27
Task 2300 of 4096 (2,0,1,3,1,12) R1F-M0-N06-J27
Task 2301 of 4096 (2,0,1,3,1,13) R1F-M0-N06-J27
Task 2302 of 4096 (2,0,1,3,1,14) R1F-M0-N06-J27
Task 2303 of 4096 (2,0,1,3,1,15) R1F-M0-N06-J27
Task 2304 of 4096 (2,0,2,0,0,0) R1F-M0-N05-J28
Task 2305 of 4096 (2,0,2,0,0,1) R1F-M0-N05-J28
Task 2306 of 4096 (2,0,2,0,0,2) R1F-M0-N05-J28
Task 2307 of 4096 (2,0,2,0,0,3) R1F-M0-N05-J28
Task 2308 of 4096 (2,0,2,0,0,4) R1F-M0-N05-J28
Task 2309 of 4096 (2,0,2,0,0,5) R1F-M0-N05-J28
Task 2310 of 4096 (2,0,2,0,0,6) R1F-M0-N05-J28
Task 2311 of 4096 (2,0,2,0,0,7) R1F-M0-N05-J28
Task 2312 of 4096 (2,0,2,0,0,8) R1F-M0-N05-J28
Task 2313 of 4096 (2,0,2,0,0,9) R1F-M0-N05-J28
Task 2314 of 4096 (2,0,2,0,0,10) R1F-M0-N05-J28
Task 2315 of 4096 (2,0,2,0,0,11) R1F-M0-N05-J28
Task 2316 of 4096 (2,0,2,0,0,12) R1F-M0-N05-J28
Task 2317 of 4096 (2,0,2,0,0,13) R1F-M0-N05-J28
Task 2318 of 4096 (2,0,2,0,0,14) R1F-M0-N05-J28
Task 2319 of 4096 (2,0,2,0,0,15) R1F-M0-N05-J28
Task 2320 of 4096 (2,0,2,0,1,0) R1F-M0-N05-J27
Task 2321 of 4096 (2,0,2,0,1,1) R1F-M0-N05-J27
Task 2322 of 4096 (2,0,2,0,1,2) R1F-M0-N05-J27
Task 2323 of 4096 (2,0,2,0,1,3) R1F-M0-N05-J27
Task 2324 of 4096 (2,0,2,0,1,4) R1F-M0-N05-J27
Task 2325 of 4096 (2,0,2,0,1,5) R1F-M0-N05-J27
Task 2326 of 4096 (2,0,2,0,1,6) R1F-M0-N05-J27
Task 2327 of 4096 (2,0,2,0,1,7) R1F-M0-N05-J27
Task 2328 of 4096 (2,0,2,0,1,8) R1F-M0-N05-J27
Task 2329 of 4096 (2,0,2,0,1,9) R1F-M0-N05-J27
Task 2330 of 4096 (2,0,2,0,1,10) R1F-M0-N05-J27
Task 2331 of 4096 (2,0,2,0,1,11) R1F-M0-N05-J27
Task 2332 of 4096 (2,0,2,0,1,12) R1F-M0-N05-J27
Task 2333 of 4096 (2,0,2,0,1,13) R1F-M0-N05-J27
Task 2334 of 4096 (2,0,2,0,1,14) R1F-M0-N05-J27
Task 2335 of 4096 (2,0,2,0,1,15) R1F-M0-N05-J27
Task 2336 of 4096 (2,0,2,1,0,0) R1F-M0-N05-J16
Task 2337 of 4096 (2,0,2,1,0,1) R1F-M0-N05-J16
Task 2338 of 4096 (2,0,2,1,0,2) R1F-M0-N05-J16
Task 2339 of 4096 (2,0,2,1,0,3) R1F-M0-N05-J16
Task 2340 of 4096 (2,0,2,1,0,4) R1F-M0-N05-J16
Task 2341 of 4096 (2,0,2,1,0,5) R1F-M0-N05-J16
Task 2342 of 4096 (2,0,2,1,0,6) R1F-M0-N05-J16
Task 2343 of 4096 (2,0,2,1,0,7) R1F-M0-N05-J16
Task 2344 of 4096 (2,0,2,1,0,8) R1F-M0-N05-J16
Task 2345 of 4096 (2,0,2,1,0,9) R1F-M0-N05-J16
Task 2346 of 4096 (2,0,2,1,0,10) R1F-M0-N05-J16
Task 2347 of 4096 (2,0,2,1,0,11) R1F-M0-N05-J16
Task 2348 of 4096 (2,0,2,1,0,12) R1F-M0-N05-J16
Task 2349 of 4096 (2,0,2,1,0,13) R1F-M0-N05-J16
Task 2350 of 4096 (2,0,2,1,0,14) R1F-M0-N05-J16
Task 2351 of 4096 (2,0,2,1,0,15) R1F-M0-N05-J16
Task 2352 of 4096 (2,0,2,1,1,0) R1F-M0-N05-J23
Task 2353 of 4096 (2,0,2,1,1,1) R1F-M0-N05-J23
Task 2354 of 4096 (2,0,2,1,1,2) R1F-M0-N05-J23
Task 2355 of 4096 (2,0,2,1,1,3) R1F-M0-N05-J23
Task 2356 of 4096 (2,0,2,1,1,4) R1F-M0-N05-J23
Task 2357 of 4096 (2,0,2,1,1,5) R1F-M0-N05-J23
Task 2358 of 4096 (2,0,2,1,1,6) R1F-M0-N05-J23
Task 2359 of 4096 (2,0,2,1,1,7) R1F-M0-N05-J23
Task 2360 of 4096 (2,0,2,1,1,8) R1F-M0-N05-J23
Task 2361 of 4096 (2,0,2,1,1,9) R1F-M0-N05-J23
Task 2362 of 4096 (2,0,2,1,1,10) R1F-M0-N05-J23
Task 2363 of 4096 (2,0,2,1,1,11) R1F-M0-N05-J23
Task 2364 of 4096 (2,0,2,1,1,12) R1F-M0-N05-J23
Task 2365 of 4096 (2,0,2,1,1,13) R1F-M0-N05-J23
Task 2366 of 4096 (2,0,2,1,1,14) R1F-M0-N05-J23
Task 2367 of 4096 (2,0,2,1,1,15) R1F-M0-N05-J23
Task 2368 of 4096 (2,0,2,2,0,0) R1F-M0-N07-J16
Task 2369 of 4096 (2,0,2,2,0,1) R1F-M0-N07-J16
Task 2370 of 4096 (2,0,2,2,0,2) R1F-M0-N07-J16
Task 2371 of 4096 (2,0,2,2,0,3) R1F-M0-N07-J16
Task 2372 of 4096 (2,0,2,2,0,4) R1F-M0-N07-J16
Task 2373 of 4096 (2,0,2,2,0,5) R1F-M0-N07-J16
Task 2374 of 4096 (2,0,2,2,0,6) R1F-M0-N07-J16
Task 2375 of 4096 (2,0,2,2,0,7) R1F-M0-N07-J16
Task 2376 of 4096 (2,0,2,2,0,8) R1F-M0-N07-J16
Task 2377 of 4096 (2,0,2,2,0,9) R1F-M0-N07-J16
Task 2378 of 4096 (2,0,2,2,0,10) R1F-M0-N07-J16
Task 2379 of 4096 (2,0,2,2,0,11) R1F-M0-N07-J16
Task 2380 of 4096 (2,0,2,2,0,12) R1F-M0-N07-J16
Task 2381 of 4096 (2,0,2,2,0,13) R1F-M0-N07-J16
Task 2382 of 4096 (2,0,2,2,0,14) R1F-M0-N07-J16
Task 2383 of 4096 (2,0,2,2,0,15) R1F-M0-N07-J16
Task 2384 of 4096 (2,0,2,2,1,0) R1F-M0-N07-J23
Task 2385 of 4096 (2,0,2,2,1,1) R1F-M0-N07-J23
Task 2386 of 4096 (2,0,2,2,1,2) R1F-M0-N07-J23
Task 2387 of 4096 (2,0,2,2,1,3) R1F-M0-N07-J23
Task 2388 of 4096 (2,0,2,2,1,4) R1F-M0-N07-J23
Task 2389 of 4096 (2,0,2,2,1,5) R1F-M0-N07-J23
Task 2390 of 4096 (2,0,2,2,1,6) R1F-M0-N07-J23
Task 2391 of 4096 (2,0,2,2,1,7) R1F-M0-N07-J23
Task 2392 of 4096 (2,0,2,2,1,8) R1F-M0-N07-J23
Task 2393 of 4096 (2,0,2,2,1,9) R1F-M0-N07-J23
Task 2394 of 4096 (2,0,2,2,1,10) R1F-M0-N07-J23
Task 2395 of 4096 (2,0,2,2,1,11) R1F-M0-N07-J23
Task 2396 of 4096 (2,0,2,2,1,12) R1F-M0-N07-J23
Task 2397 of 4096 (2,0,2,2,1,13) R1F-M0-N07-J23
Task 2398 of 4096 (2,0,2,2,1,14) R1F-M0-N07-J23
Task 2399 of 4096 (2,0,2,2,1,15) R1F-M0-N07-J23
Task 2400 of 4096 (2,0,2,3,0,0) R1F-M0-N07-J28
Task 2401 of 4096 (2,0,2,3,0,1) R1F-M0-N07-J28
Task 2402 of 4096 (2,0,2,3,0,2) R1F-M0-N07-J28
Task 2403 of 4096 (2,0,2,3,0,3) R1F-M0-N07-J28
Task 2404 of 4096 (2,0,2,3,0,4) R1F-M0-N07-J28
Task 2405 of 4096 (2,0,2,3,0,5) R1F-M0-N07-J28
Task 2406 of 4096 (2,0,2,3,0,6) R1F-M0-N07-J28
Task 2407 of 4096 (2,0,2,3,0,7) R1F-M0-N07-J28
Task 2408 of 4096 (2,0,2,3,0,8) R1F-M0-N07-J28
Task 2409 of 4096 (2,0,2,3,0,9) R1F-M0-N07-J28
Task 2410 of 4096 (2,0,2,3,0,10) R1F-M0-N07-J28
Task 2411 of 4096 (2,0,2,3,0,11) R1F-M0-N07-J28
Task 2412 of 4096 (2,0,2,3,0,12) R1F-M0-N07-J28
Task 2413 of 4096 (2,0,2,3,0,13) R1F-M0-N07-J28
Task 2414 of 4096 (2,0,2,3,0,14) R1F-M0-N07-J28
Task 2415 of 4096 (2,0,2,3,0,15) R1F-M0-N07-J28
Task 2416 of 4096 (2,0,2,3,1,0) R1F-M0-N07-J27
Task 2417 of 4096 (2,0,2,3,1,1) R1F-M0-N07-J27
Task 2418 of 4096 (2,0,2,3,1,2) R1F-M0-N07-J27
Task 2419 of 4096 (2,0,2,3,1,3) R1F-M0-N07-J27
Task 2420 of 4096 (2,0,2,3,1,4) R1F-M0-N07-J27
Task 2421 of 4096 (2,0,2,3,1,5) R1F-M0-N07-J27
Task 2422 of 4096 (2,0,2,3,1,6) R1F-M0-N07-J27
Task 2423 of 4096 (2,0,2,3,1,7) R1F-M0-N07-J27
Task 2424 of 4096 (2,0,2,3,1,8) R1F-M0-N07-J27
Task 2425 of 4096 (2,0,2,3,1,9) R1F-M0-N07-J27
Task 2426 of 4096 (2,0,2,3,1,10) R1F-M0-N07-J27
Task 2427 of 4096 (2,0,2,3,1,11) R1F-M0-N07-J27
Task 2428 of 4096 (2,0,2,3,1,12) R1F-M0-N07-J27
Task 2429 of 4096 (2,0,2,3,1,13) R1F-M0-N07-J27
Task 2430 of 4096 (2,0,2,3,1,14) R1F-M0-N07-J27
Task 2431 of 4096 (2,0,2,3,1,15) R1F-M0-N07-J27
Task 2432 of 4096 (2,0,3,0,0,0) R1F-M0-N05-J29
Task 2433 of 4096 (2,0,3,0,0,1) R1F-M0-N05-J29
Task 2434 of 4096 (2,0,3,0,0,2) R1F-M0-N05-J29
Task 2435 of 4096 (2,0,3,0,0,3) R1F-M0-N05-J29
Task 2436 of 4096 (2,0,3,0,0,4) R1F-M0-N05-J29
Task 2437 of 4096 (2,0,3,0,0,5) R1F-M0-N05-J29
Task 2438 of 4096 (2,0,3,0,0,6) R1F-M0-N05-J29
Task 2439 of 4096 (2,0,3,0,0,7) R1F-M0-N05-J29
Task 2440 of 4096 (2,0,3,0,0,8) R1F-M0-N05-J29
Task 2441 of 4096 (2,0,3,0,0,9) R1F-M0-N05-J29
Task 2442 of 4096 (2,0,3,0,0,10) R1F-M0-N05-J29
Task 2443 of 4096 (2,0,3,0,0,11) R1F-M0-N05-J29
Task 2444 of 4096 (2,0,3,0,0,12) R1F-M0-N05-J29
Task 2445 of 4096 (2,0,3,0,0,13) R1F-M0-N05-J29
Task 2446 of 4096 (2,0,3,0,0,14) R1F-M0-N05-J29
Task 2447 of 4096 (2,0,3,0,0,15) R1F-M0-N05-J29
Task 2448 of 4096 (2,0,3,0,1,0) R1F-M0-N05-J26
Task 2449 of 4096 (2,0,3,0,1,1) R1F-M0-N05-J26
Task 2450 of 4096 (2,0,3,0,1,2) R1F-M0-N05-J26
Task 2451 of 4096 (2,0,3,0,1,3) R1F-M0-N05-J26
Task 2452 of 4096 (2,0,3,0,1,4) R1F-M0-N05-J26
Task 2453 of 4096 (2,0,3,0,1,5) R1F-M0-N05-J26
Task 2454 of 4096 (2,0,3,0,1,6) R1F-M0-N05-J26
Task 2455 of 4096 (2,0,3,0,1,7) R1F-M0-N05-J26
Task 2456 of 4096 (2,0,3,0,1,8) R1F-M0-N05-J26
Task 2457 of 4096 (2,0,3,0,1,9) R1F-M0-N05-J26
Task 2458 of 4096 (2,0,3,0,1,10) R1F-M0-N05-J26
Task 2459 of 4096 (2,0,3,0,1,11) R1F-M0-N05-J26
Task 2460 of 4096 (2,0,3,0,1,12) R1F-M0-N05-J26
Task 2461 of 4096 (2,0,3,0,1,13) R1F-M0-N05-J26
Task 2462 of 4096 (2,0,3,0,1,14) R1F-M0-N05-J26
Task 2463 of 4096 (2,0,3,0,1,15) R1F-M0-N05-J26
Task 2464 of 4096 (2,0,3,1,0,0) R1F-M0-N05-J17
Task 2465 of 4096 (2,0,3,1,0,1) R1F-M0-N05-J17
Task 2466 of 4096 (2,0,3,1,0,2) R1F-M0-N05-J17
Task 2467 of 4096 (2,0,3,1,0,3) R1F-M0-N05-J17
Task 2468 of 4096 (2,0,3,1,0,4) R1F-M0-N05-J17
Task 2469 of 4096 (2,0,3,1,0,5) R1F-M0-N05-J17
Task 2470 of 4096 (2,0,3,1,0,6) R1F-M0-N05-J17
Task 2471 of 4096 (2,0,3,1,0,7) R1F-M0-N05-J17
Task 2472 of 4096 (2,0,3,1,0,8) R1F-M0-N05-J17
Task 2473 of 4096 (2,0,3,1,0,9) R1F-M0-N05-J17
Task 2474 of 4096 (2,0,3,1,0,10) R1F-M0-N05-J17
Task 2475 of 4096 (2,0,3,1,0,11) R1F-M0-N05-J17
Task 2476 of 4096 (2,0,3,1,0,12) R1F-M0-N05-J17
Task 2477 of 4096 (2,0,3,1,0,13) R1F-M0-N05-J17
Task 2478 of 4096 (2,0,3,1,0,14) R1F-M0-N05-J17
Task 2479 of 4096 (2,0,3,1,0,15) R1F-M0-N05-J17
Task 2480 of 4096 (2,0,3,1,1,0) R1F-M0-N05-J22
Task 2481 of 4096 (2,0,3,1,1,1) R1F-M0-N05-J22
Task 2482 of 4096 (2,0,3,1,1,2) R1F-M0-N05-J22
Task 2483 of 4096 (2,0,3,1,1,3) R1F-M0-N05-J22
Task 2484 of 4096 (2,0,3,1,1,4) R1F-M0-N05-J22
Task 2485 of 4096 (2,0,3,1,1,5) R1F-M0-N05-J22
Task 2486 of 4096 (2,0,3,1,1,6) R1F-M0-N05-J22
Task 2487 of 4096 (2,0,3,1,1,7) R1F-M0-N05-J22
Task 2488 of 4096 (2,0,3,1,1,8) R1F-M0-N05-J22
Task 2489 of 4096 (2,0,3,1,1,9) R1F-M0-N05-J22
Task 2490 of 4096 (2,0,3,1,1,10) R1F-M0-N05-J22
Task 2491 of 4096 (2,0,3,1,1,11) R1F-M0-N05-J22
Task 2492 of 4096 (2,0,3,1,1,12) R1F-M0-N05-J22
Task 2493 of 4096 (2,0,3,1,1,13) R1F-M0-N05-J22
Task 2494 of 4096 (2,0,3,1,1,14) R1F-M0-N05-J22
Task 2495 of 4096 (2,0,3,1,1,15) R1F-M0-N05-J22
Task 2496 of 4096 (2,0,3,2,0,0) R1F-M0-N07-J17
Task 2497 of 4096 (2,0,3,2,0,1) R1F-M0-N07-J17
Task 2498 of 4096 (2,0,3,2,0,2) R1F-M0-N07-J17
Task 2499 of 4096 (2,0,3,2,0,3) R1F-M0-N07-J17
Task 2500 of 4096 (2,0,3,2,0,4) R1F-M0-N07-J17
Task 2501 of 4096 (2,0,3,2,0,5) R1F-M0-N07-J17
Task 2502 of 4096 (2,0,3,2,0,6) R1F-M0-N07-J17
Task 2503 of 4096 (2,0,3,2,0,7) R1F-M0-N07-J17
Task 2504 of 4096 (2,0,3,2,0,8) R1F-M0-N07-J17
Task 2505 of 4096 (2,0,3,2,0,9) R1F-M0-N07-J17
Task 2506 of 4096 (2,0,3,2,0,10) R1F-M0-N07-J17
Task 2507 of 4096 (2,0,3,2,0,11) R1F-M0-N07-J17
Task 2508 of 4096 (2,0,3,2,0,12) R1F-M0-N07-J17
Task 2509 of 4096 (2,0,3,2,0,13) R1F-M0-N07-J17
Task 2510 of 4096 (2,0,3,2,0,14) R1F-M0-N07-J17
Task 2511 of 4096 (2,0,3,2,0,15) R1F-M0-N07-J17
Task 2512 of 4096 (2,0,3,2,1,0) R1F-M0-N07-J22
Task 2513 of 4096 (2,0,3,2,1,1) R1F-M0-N07-J22
Task 2514 of 4096 (2,0,3,2,1,2) R1F-M0-N07-J22
Task 2515 of 4096 (2,0,3,2,1,3) R1F-M0-N07-J22
Task 2516 of 4096 (2,0,3,2,1,4) R1F-M0-N07-J22
Task 2517 of 4096 (2,0,3,2,1,5) R1F-M0-N07-J22
Task 2518 of 4096 (2,0,3,2,1,6) R1F-M0-N07-J22
Task 2519 of 4096 (2,0,3,2,1,7) R1F-M0-N07-J22
Task 2520 of 4096 (2,0,3,2,1,8) R1F-M0-N07-J22
Task 2521 of 4096 (2,0,3,2,1,9) R1F-M0-N07-J22
Task 2522 of 4096 (2,0,3,2,1,10) R1F-M0-N07-J22
Task 2523 of 4096 (2,0,3,2,1,11) R1F-M0-N07-J22
Task 2524 of 4096 (2,0,3,2,1,12) R1F-M0-N07-J22
Task 2525 of 4096 (2,0,3,2,1,13) R1F-M0-N07-J22
Task 2526 of 4096 (2,0,3,2,1,14) R1F-M0-N07-J22
Task 2527 of 4096 (2,0,3,2,1,15) R1F-M0-N07-J22
Task 2528 of 4096 (2,0,3,3,0,0) R1F-M0-N07-J29
Task 2529 of 4096 (2,0,3,3,0,1) R1F-M0-N07-J29
Task 2530 of 4096 (2,0,3,3,0,2) R1F-M0-N07-J29
Task 2531 of 4096 (2,0,3,3,0,3) R1F-M0-N07-J29
Task 2532 of 4096 (2,0,3,3,0,4) R1F-M0-N07-J29
Task 2533 of 4096 (2,0,3,3,0,5) R1F-M0-N07-J29
Task 2534 of 4096 (2,0,3,3,0,6) R1F-M0-N07-J29
Task 2535 of 4096 (2,0,3,3,0,7) R1F-M0-N07-J29
Task 2536 of 4096 (2,0,3,3,0,8) R1F-M0-N07-J29
Task 2537 of 4096 (2,0,3,3,0,9) R1F-M0-N07-J29
Task 2538 of 4096 (2,0,3,3,0,10) R1F-M0-N07-J29
Task 2539 of 4096 (2,0,3,3,0,11) R1F-M0-N07-J29
Task 2540 of 4096 (2,0,3,3,0,12) R1F-M0-N07-J29
Task 2541 of 4096 (2,0,3,3,0,13) R1F-M0-N07-J29
Task 2542 of 4096 (2,0,3,3,0,14) R1F-M0-N07-J29
Task 2543 of 4096 (2,0,3,3,0,15) R1F-M0-N07-J29
Task 2544 of 4096 (2,0,3,3,1,0) R1F-M0-N07-J26
Task 2545 of 4096 (2,0,3,3,1,1) R1F-M0-N07-J26
Task 2546 of 4096 (2,0,3,3,1,2) R1F-M0-N07-J26
Task 2547 of 4096 (2,0,3,3,1,3) R1F-M0-N07-J26
Task 2548 of 4096 (2,0,3,3,1,4) R1F-M0-N07-J26
Task 2549 of 4096 (2,0,3,3,1,5) R1F-M0-N07-J26
Task 2550 of 4096 (2,0,3,3,1,6) R1F-M0-N07-J26
Task 2551 of 4096 (2,0,3,3,1,7) R1F-M0-N07-J26
Task 2552 of 4096 (2,0,3,3,1,8) R1F-M0-N07-J26
Task 2553 of 4096 (2,0,3,3,1,9) R1F-M0-N07-J26
Task 2554 of 4096 (2,0,3,3,1,10) R1F-M0-N07-J26
Task 2555 of 4096 (2,0,3,3,1,11) R1F-M0-N07-J26
Task 2556 of 4096 (2,0,3,3,1,12) R1F-M0-N07-J26
Task 2557 of 4096 (2,0,3,3,1,13) R1F-M0-N07-J26
Task 2558 of 4096 (2,0,3,3,1,14) R1F-M0-N07-J26
Task 2559 of 4096 (2,0,3,3,1,15) R1F-M0-N07-J26
Task 2560 of 4096 (2,1,0,0,0,0) R1F-M0-N04-J30
Task 2561 of 4096 (2,1,0,0,0,1) R1F-M0-N04-J30
Task 2562 of 4096 (2,1,0,0,0,2) R1F-M0-N04-J30
Task 2563 of 4096 (2,1,0,0,0,3) R1F-M0-N04-J30
Task 2564 of 4096 (2,1,0,0,0,4) R1F-M0-N04-J30
Task 2565 of 4096 (2,1,0,0,0,5) R1F-M0-N04-J30
Task 2566 of 4096 (2,1,0,0,0,6) R1F-M0-N04-J30
Task 2567 of 4096 (2,1,0,0,0,7) R1F-M0-N04-J30
Task 2568 of 4096 (2,1,0,0,0,8) R1F-M0-N04-J30
Task 2569 of 4096 (2,1,0,0,0,9) R1F-M0-N04-J30
Task 2570 of 4096 (2,1,0,0,0,10) R1F-M0-N04-J30
Task 2571 of 4096 (2,1,0,0,0,11) R1F-M0-N04-J30
Task 2572 of 4096 (2,1,0,0,0,12) R1F-M0-N04-J30
Task 2573 of 4096 (2,1,0,0,0,13) R1F-M0-N04-J30
Task 2574 of 4096 (2,1,0,0,0,14) R1F-M0-N04-J30
Task 2575 of 4096 (2,1,0,0,0,15) R1F-M0-N04-J30
Task 2576 of 4096 (2,1,0,0,1,0) R1F-M0-N04-J25
Task 2577 of 4096 (2,1,0,0,1,1) R1F-M0-N04-J25
Task 2578 of 4096 (2,1,0,0,1,2) R1F-M0-N04-J25
Task 2579 of 4096 (2,1,0,0,1,3) R1F-M0-N04-J25
Task 2580 of 4096 (2,1,0,0,1,4) R1F-M0-N04-J25
Task 2581 of 4096 (2,1,0,0,1,5) R1F-M0-N04-J25
Task 2582 of 4096 (2,1,0,0,1,6) R1F-M0-N04-J25
Task 2583 of 4096 (2,1,0,0,1,7) R1F-M0-N04-J25
Task 2584 of 4096 (2,1,0,0,1,8) R1F-M0-N04-J25
Task 2585 of 4096 (2,1,0,0,1,9) R1F-M0-N04-J25
Task 2586 of 4096 (2,1,0,0,1,10) R1F-M0-N04-J25
Task 2587 of 4096 (2,1,0,0,1,11) R1F-M0-N04-J25
Task 2588 of 4096 (2,1,0,0,1,12) R1F-M0-N04-J25
Task 2589 of 4096 (2,1,0,0,1,13) R1F-M0-N04-J25
Task 2590 of 4096 (2,1,0,0,1,14) R1F-M0-N04-J25
Task 2591 of 4096 (2,1,0,0,1,15) R1F-M0-N04-J25
Task 2592 of 4096 (2,1,0,1,0,0) R1F-M0-N04-J18
Task 2593 of 4096 (2,1,0,1,0,1) R1F-M0-N04-J18
Task 2594 of 4096 (2,1,0,1,0,2) R1F-M0-N04-J18
Task 2595 of 4096 (2,1,0,1,0,3) R1F-M0-N04-J18
Task 2596 of 4096 (2,1,0,1,0,4) R1F-M0-N04-J18
Task 2597 of 4096 (2,1,0,1,0,5) R1F-M0-N04-J18
Task 2598 of 4096 (2,1,0,1,0,6) R1F-M0-N04-J18
Task 2599 of 4096 (2,1,0,1,0,7) R1F-M0-N04-J18
Task 2600 of 4096 (2,1,0,1,0,8) R1F-M0-N04-J18
Task 2601 of 4096 (2,1,0,1,0,9) R1F-M0-N04-J18
Task 2602 of 4096 (2,1,0,1,0,10) R1F-M0-N04-J18
Task 2603 of 4096 (2,1,0,1,0,11) R1F-M0-N04-J18
Task 2604 of 4096 (2,1,0,1,0,12) R1F-M0-N04-J18
Task 2605 of 4096 (2,1,0,1,0,13) R1F-M0-N04-J18
Task 2606 of 4096 (2,1,0,1,0,14) R1F-M0-N04-J18
Task 2607 of 4096 (2,1,0,1,0,15) R1F-M0-N04-J18
Task 2608 of 4096 (2,1,0,1,1,0) R1F-M0-N04-J21
Task 2609 of 4096 (2,1,0,1,1,1) R1F-M0-N04-J21
Task 2610 of 4096 (2,1,0,1,1,2) R1F-M0-N04-J21
Task 2611 of 4096 (2,1,0,1,1,3) R1F-M0-N04-J21
Task 2612 of 4096 (2,1,0,1,1,4) R1F-M0-N04-J21
Task 2613 of 4096 (2,1,0,1,1,5) R1F-M0-N04-J21
Task 2614 of 4096 (2,1,0,1,1,6) R1F-M0-N04-J21
Task 2615 of 4096 (2,1,0,1,1,7) R1F-M0-N04-J21
Task 2616 of 4096 (2,1,0,1,1,8) R1F-M0-N04-J21
Task 2617 of 4096 (2,1,0,1,1,9) R1F-M0-N04-J21
Task 2618 of 4096 (2,1,0,1,1,10) R1F-M0-N04-J21
Task 2619 of 4096 (2,1,0,1,1,11) R1F-M0-N04-J21
Task 2620 of 4096 (2,1,0,1,1,12) R1F-M0-N04-J21
Task 2621 of 4096 (2,1,0,1,1,13) R1F-M0-N04-J21
Task 2622 of 4096 (2,1,0,1,1,14) R1F-M0-N04-J21
Task 2623 of 4096 (2,1,0,1,1,15) R1F-M0-N04-J21
Task 2624 of 4096 (2,1,0,2,0,0) R1F-M0-N06-J18
Task 2625 of 4096 (2,1,0,2,0,1) R1F-M0-N06-J18
Task 2626 of 4096 (2,1,0,2,0,2) R1F-M0-N06-J18
Task 2627 of 4096 (2,1,0,2,0,3) R1F-M0-N06-J18
Task 2628 of 4096 (2,1,0,2,0,4) R1F-M0-N06-J18
Task 2629 of 4096 (2,1,0,2,0,5) R1F-M0-N06-J18
Task 2630 of 4096 (2,1,0,2,0,6) R1F-M0-N06-J18
Task 2631 of 4096 (2,1,0,2,0,7) R1F-M0-N06-J18
Task 2632 of 4096 (2,1,0,2,0,8) R1F-M0-N06-J18
Task 2633 of 4096 (2,1,0,2,0,9) R1F-M0-N06-J18
Task 2634 of 4096 (2,1,0,2,0,10) R1F-M0-N06-J18
Task 2635 of 4096 (2,1,0,2,0,11) R1F-M0-N06-J18
Task 2636 of 4096 (2,1,0,2,0,12) R1F-M0-N06-J18
Task 2637 of 4096 (2,1,0,2,0,13) R1F-M0-N06-J18
Task 2638 of 4096 (2,1,0,2,0,14) R1F-M0-N06-J18
Task 2639 of 4096 (2,1,0,2,0,15) R1F-M0-N06-J18
Task 2640 of 4096 (2,1,0,2,1,0) R1F-M0-N06-J21
Task 2641 of 4096 (2,1,0,2,1,1) R1F-M0-N06-J21
Task 2642 of 4096 (2,1,0,2,1,2) R1F-M0-N06-J21
Task 2643 of 4096 (2,1,0,2,1,3) R1F-M0-N06-J21
Task 2644 of 4096 (2,1,0,2,1,4) R1F-M0-N06-J21
Task 2645 of 4096 (2,1,0,2,1,5) R1F-M0-N06-J21
Task 2646 of 4096 (2,1,0,2,1,6) R1F-M0-N06-J21
Task 2647 of 4096 (2,1,0,2,1,7) R1F-M0-N06-J21
Task 2648 of 4096 (2,1,0,2,1,8) R1F-M0-N06-J21
Task 2649 of 4096 (2,1,0,2,1,9) R1F-M0-N06-J21
Task 2650 of 4096 (2,1,0,2,1,10) R1F-M0-N06-J21
Task 2651 of 4096 (2,1,0,2,1,11) R1F-M0-N06-J21
Task 2652 of 4096 (2,1,0,2,1,12) R1F-M0-N06-J21
Task 2653 of 4096 (2,1,0,2,1,13) R1F-M0-N06-J21
Task 2654 of 4096 (2,1,0,2,1,14) R1F-M0-N06-J21
Task 2655 of 4096 (2,1,0,2,1,15) R1F-M0-N06-J21
Task 2656 of 4096 (2,1,0,3,0,0) R1F-M0-N06-J30
Task 2657 of 4096 (2,1,0,3,0,1) R1F-M0-N06-J30
Task 2658 of 4096 (2,1,0,3,0,2) R1F-M0-N06-J30
Task 2659 of 4096 (2,1,0,3,0,3) R1F-M0-N06-J30
Task 2660 of 4096 (2,1,0,3,0,4) R1F-M0-N06-J30
Task 2661 of 4096 (2,1,0,3,0,5) R1F-M0-N06-J30
Task 2662 of 4096 (2,1,0,3,0,6) R1F-M0-N06-J30
Task 2663 of 4096 (2,1,0,3,0,7) R1F-M0-N06-J30
Task 2664 of 4096 (2,1,0,3,0,8) R1F-M0-N06-J30
Task 2665 of 4096 (2,1,0,3,0,9) R1F-M0-N06-J30
Task 2666 of 4096 (2,1,0,3,0,10) R1F-M0-N06-J30
Task 2667 of 4096 (2,1,0,3,0,11) R1F-M0-N06-J30
Task 2668 of 4096 (2,1,0,3,0,12) R1F-M0-N06-J30
Task 2669 of 4096 (2,1,0,3,0,13) R1F-M0-N06-J30
Task 2670 of 4096 (2,1,0,3,0,14) R1F-M0-N06-J30
Task 2671 of 4096 (2,1,0,3,0,15) R1F-M0-N06-J30
Task 2672 of 4096 (2,1,0,3,1,0) R1F-M0-N06-J25
Task 2673 of 4096 (2,1,0,3,1,1) R1F-M0-N06-J25
Task 2674 of 4096 (2,1,0,3,1,2) R1F-M0-N06-J25
Task 2675 of 4096 (2,1,0,3,1,3) R1F-M0-N06-J25
Task 2676 of 4096 (2,1,0,3,1,4) R1F-M0-N06-J25
Task 2677 of 4096 (2,1,0,3,1,5) R1F-M0-N06-J25
Task 2678 of 4096 (2,1,0,3,1,6) R1F-M0-N06-J25
Task 2679 of 4096 (2,1,0,3,1,7) R1F-M0-N06-J25
Task 2680 of 4096 (2,1,0,3,1,8) R1F-M0-N06-J25
Task 2681 of 4096 (2,1,0,3,1,9) R1F-M0-N06-J25
Task 2682 of 4096 (2,1,0,3,1,10) R1F-M0-N06-J25
Task 2683 of 4096 (2,1,0,3,1,11) R1F-M0-N06-J25
Task 2684 of 4096 (2,1,0,3,1,12) R1F-M0-N06-J25
Task 2685 of 4096 (2,1,0,3,1,13) R1F-M0-N06-J25
Task 2686 of 4096 (2,1,0,3,1,14) R1F-M0-N06-J25
Task 2687 of 4096 (2,1,0,3,1,15) R1F-M0-N06-J25
Task 2688 of 4096 (2,1,1,0,0,0) R1F-M0-N04-J31
Task 2689 of 4096 (2,1,1,0,0,1) R1F-M0-N04-J31
Task 2690 of 4096 (2,1,1,0,0,2) R1F-M0-N04-J31
Task 2691 of 4096 (2,1,1,0,0,3) R1F-M0-N04-J31
Task 2692 of 4096 (2,1,1,0,0,4) R1F-M0-N04-J31
Task 2693 of 4096 (2,1,1,0,0,5) R1F-M0-N04-J31
Task 2694 of 4096 (2,1,1,0,0,6) R1F-M0-N04-J31
Task 2695 of 4096 (2,1,1,0,0,7) R1F-M0-N04-J31
Task 2696 of 4096 (2,1,1,0,0,8) R1F-M0-N04-J31
Task 2697 of 4096 (2,1,1,0,0,9) R1F-M0-N04-J31
Task 2698 of 4096 (2,1,1,0,0,10) R1F-M0-N04-J31
Task 2699 of 4096 (2,1,1,0,0,11) R1F-M0-N04-J31
Task 2700 of 4096 (2,1,1,0,0,12) R1F-M0-N04-J31
Task 2701 of 4096 (2,1,1,0,0,13) R1F-M0-N04-J31
Task 2702 of 4096 (2,1,1,0,0,14) R1F-M0-N04-J31
Task 2703 of 4096 (2,1,1,0,0,15) R1F-M0-N04-J31
Task 2704 of 4096 (2,1,1,0,1,0) R1F-M0-N04-J24
Task 2705 of 4096 (2,1,1,0,1,1) R1F-M0-N04-J24
Task 2706 of 4096 (2,1,1,0,1,2) R1F-M0-N04-J24
Task 2707 of 4096 (2,1,1,0,1,3) R1F-M0-N04-J24
Task 2708 of 4096 (2,1,1,0,1,4) R1F-M0-N04-J24
Task 2709 of 4096 (2,1,1,0,1,5) R1F-M0-N04-J24
Task 2710 of 4096 (2,1,1,0,1,6) R1F-M0-N04-J24
Task 2711 of 4096 (2,1,1,0,1,7) R1F-M0-N04-J24
Task 2712 of 4096 (2,1,1,0,1,8) R1F-M0-N04-J24
Task 2713 of 4096 (2,1,1,0,1,9) R1F-M0-N04-J24
Task 2714 of 4096 (2,1,1,0,1,10) R1F-M0-N04-J24
Task 2715 of 4096 (2,1,1,0,1,11) R1F-M0-N04-J24
Task 2716 of 4096 (2,1,1,0,1,12) R1F-M0-N04-J24
Task 2717 of 4096 (2,1,1,0,1,13) R1F-M0-N04-J24
Task 2718 of 4096 (2,1,1,0,1,14) R1F-M0-N04-J24
Task 2719 of 4096 (2,1,1,0,1,15) R1F-M0-N04-J24
Task 2720 of 4096 (2,1,1,1,0,0) R1F-M0-N04-J19
Task 2721 of 4096 (2,1,1,1,0,1) R1F-M0-N04-J19
Task 2722 of 4096 (2,1,1,1,0,2) R1F-M0-N04-J19
Task 2723 of 4096 (2,1,1,1,0,3) R1F-M0-N04-J19
Task 2724 of 4096 (2,1,1,1,0,4) R1F-M0-N04-J19
Task 2725 of 4096 (2,1,1,1,0,5) R1F-M0-N04-J19
Task 2726 of 4096 (2,1,1,1,0,6) R1F-M0-N04-J19
Task 2727 of 4096 (2,1,1,1,0,7) R1F-M0-N04-J19
Task 2728 of 4096 (2,1,1,1,0,8) R1F-M0-N04-J19
Task 2729 of 4096 (2,1,1,1,0,9) R1F-M0-N04-J19
Task 2730 of 4096 (2,1,1,1,0,10) R1F-M0-N04-J19
Task 2731 of 4096 (2,1,1,1,0,11) R1F-M0-N04-J19
Task 2732 of 4096 (2,1,1,1,0,12) R1F-M0-N04-J19
Task 2733 of 4096 (2,1,1,1,0,13) R1F-M0-N04-J19
Task 2734 of 4096 (2,1,1,1,0,14) R1F-M0-N04-J19
Task 2735 of 4096 (2,1,1,1,0,15) R1F-M0-N04-J19
Task 2736 of 4096 (2,1,1,1,1,0) R1F-M0-N04-J20
Task 2737 of 4096 (2,1,1,1,1,1) R1F-M0-N04-J20
Task 2738 of 4096 (2,1,1,1,1,2) R1F-M0-N04-J20
Task 2739 of 4096 (2,1,1,1,1,3) R1F-M0-N04-J20
Task 2740 of 4096 (2,1,1,1,1,4) R1F-M0-N04-J20
Task 2741 of 4096 (2,1,1,1,1,5) R1F-M0-N04-J20
Task 2742 of 4096 (2,1,1,1,1,6) R1F-M0-N04-J20
Task 2743 of 4096 (2,1,1,1,1,7) R1F-M0-N04-J20
Task 2744 of 4096 (2,1,1,1,1,8) R1F-M0-N04-J20
Task 2745 of 4096 (2,1,1,1,1,9) R1F-M0-N04-J20
Task 2746 of 4096 (2,1,1,1,1,10) R1F-M0-N04-J20
Task 2747 of 4096 (2,1,1,1,1,11) R1F-M0-N04-J20
Task 2748 of 4096 (2,1,1,1,1,12) R1F-M0-N04-J20
Task 2749 of 4096 (2,1,1,1,1,13) R1F-M0-N04-J20
Task 2750 of 4096 (2,1,1,1,1,14) R1F-M0-N04-J20
Task 2751 of 4096 (2,1,1,1,1,15) R1F-M0-N04-J20
Task 2752 of 4096 (2,1,1,2,0,0) R1F-M0-N06-J19
Task 2753 of 4096 (2,1,1,2,0,1) R1F-M0-N06-J19
Task 2754 of 4096 (2,1,1,2,0,2) R1F-M0-N06-J19
Task 2755 of 4096 (2,1,1,2,0,3) R1F-M0-N06-J19
Task 2756 of 4096 (2,1,1,2,0,4) R1F-M0-N06-J19
Task 2757 of 4096 (2,1,1,2,0,5) R1F-M0-N06-J19
Task 2758 of 4096 (2,1,1,2,0,6) R1F-M0-N06-J19
Task 2759 of 4096 (2,1,1,2,0,7) R1F-M0-N06-J19
Task 2760 of 4096 (2,1,1,2,0,8) R1F-M0-N06-J19
Task 2761 of 4096 (2,1,1,2,0,9) R1F-M0-N06-J19
Task 2762 of 4096 (2,1,1,2,0,10) R1F-M0-N06-J19
Task 2763 of 4096 (2,1,1,2,0,11) R1F-M0-N06-J19
Task 2764 of 4096 (2,1,1,2,0,12) R1F-M0-N06-J19
Task 2765 of 4096 (2,1,1,2,0,13) R1F-M0-N06-J19
Task 2766 of 4096 (2,1,1,2,0,14) R1F-M0-N06-J19
Task 2767 of 4096 (2,1,1,2,0,15) R1F-M0-N06-J19
Task 2768 of 4096 (2,1,1,2,1,0) R1F-M0-N06-J20
Task 2769 of 4096 (2,1,1,2,1,1) R1F-M0-N06-J20
Task 2770 of 4096 (2,1,1,2,1,2) R1F-M0-N06-J20
Task 2771 of 4096 (2,1,1,2,1,3) R1F-M0-N06-J20
Task 2772 of 4096 (2,1,1,2,1,4) R1F-M0-N06-J20
Task 2773 of 4096 (2,1,1,2,1,5) R1F-M0-N06-J20
Task 2774 of 4096 (2,1,1,2,1,6) R1F-M0-N06-J20
Task 2775 of 4096 (2,1,1,2,1,7) R1F-M0-N06-J20
Task 2776 of 4096 (2,1,1,2,1,8) R1F-M0-N06-J20
Task 2777 of 4096 (2,1,1,2,1,9) R1F-M0-N06-J20
Task 2778 of 4096 (2,1,1,2,1,10) R1F-M0-N06-J20
Task 2779 of 4096 (2,1,1,2,1,11) R1F-M0-N06-J20
Task 2780 of 4096 (2,1,1,2,1,12) R1F-M0-N06-J20
Task 2781 of 4096 (2,1,1,2,1,13) R1F-M0-N06-J20
Task 2782 of 4096 (2,1,1,2,1,14) R1F-M0-N06-J20
Task 2783 of 4096 (2,1,1,2,1,15) R1F-M0-N06-J20
Task 2784 of 4096 (2,1,1,3,0,0) R1F-M0-N06-J31
Task 2785 of 4096 (2,1,1,3,0,1) R1F-M0-N06-J31
Task 2786 of 4096 (2,1,1,3,0,2) R1F-M0-N06-J31
Task 2787 of 4096 (2,1,1,3,0,3) R1F-M0-N06-J31
Task 2788 of 4096 (2,1,1,3,0,4) R1F-M0-N06-J31
Task 2789 of 4096 (2,1,1,3,0,5) R1F-M0-N06-J31
Task 2790 of 4096 (2,1,1,3,0,6) R1F-M0-N06-J31
Task 2791 of 4096 (2,1,1,3,0,7) R1F-M0-N06-J31
Task 2792 of 4096 (2,1,1,3,0,8) R1F-M0-N06-J31
Task 2793 of 4096 (2,1,1,3,0,9) R1F-M0-N06-J31
Task 2794 of 4096 (2,1,1,3,0,10) R1F-M0-N06-J31
Task 2795 of 4096 (2,1,1,3,0,11) R1F-M0-N06-J31
Task 2796 of 4096 (2,1,1,3,0,12) R1F-M0-N06-J31
Task 2797 of 4096 (2,1,1,3,0,13) R1F-M0-N06-J31
Task 2798 of 4096 (2,1,1,3,0,14) R1F-M0-N06-J31
Task 2799 of 4096 (2,1,1,3,0,15) R1F-M0-N06-J31
Task 2800 of 4096 (2,1,1,3,1,0) R1F-M0-N06-J24
Task 2801 of 4096 (2,1,1,3,1,1) R1F-M0-N06-J24
Task 2802 of 4096 (2,1,1,3,1,2) R1F-M0-N06-J24
Task 2803 of 4096 (2,1,1,3,1,3) R1F-M0-N06-J24
Task 2804 of 4096 (2,1,1,3,1,4) R1F-M0-N06-J24
Task 2805 of 4096 (2,1,1,3,1,5) R1F-M0-N06-J24
Task 2806 of 4096 (2,1,1,3,1,6) R1F-M0-N06-J24
Task 2807 of 4096 (2,1,1,3,1,7) R1F-M0-N06-J24
Task 2808 of 4096 (2,1,1,3,1,8) R1F-M0-N06-J24
Task 2809 of 4096 (2,1,1,3,1,9) R1F-M0-N06-J24
Task 2810 of 4096 (2,1,1,3,1,10) R1F-M0-N06-J24
Task 2811 of 4096 (2,1,1,3,1,11) R1F-M0-N06-J24
Task 2812 of 4096 (2,1,1,3,1,12) R1F-M0-N06-J24
Task 2813 of 4096 (2,1,1,3,1,13) R1F-M0-N06-J24
Task 2814 of 4096 (2,1,1,3,1,14) R1F-M0-N06-J24
Task 2815 of 4096 (2,1,1,3,1,15) R1F-M0-N06-J24
Task 2816 of 4096 (2,1,2,0,0,0) R1F-M0-N05-J31
Task 2817 of 4096 (2,1,2,0,0,1) R1F-M0-N05-J31
Task 2818 of 4096 (2,1,2,0,0,2) R1F-M0-N05-J31
Task 2819 of 4096 (2,1,2,0,0,3) R1F-M0-N05-J31
Task 2820 of 4096 (2,1,2,0,0,4) R1F-M0-N05-J31
Task 2821 of 4096 (2,1,2,0,0,5) R1F-M0-N05-J31
Task 2822 of 4096 (2,1,2,0,0,6) R1F-M0-N05-J31
Task 2823 of 4096 (2,1,2,0,0,7) R1F-M0-N05-J31
Task 2824 of 4096 (2,1,2,0,0,8) R1F-M0-N05-J31
Task 2825 of 4096 (2,1,2,0,0,9) R1F-M0-N05-J31
Task 2826 of 4096 (2,1,2,0,0,10) R1F-M0-N05-J31
Task 2827 of 4096 (2,1,2,0,0,11) R1F-M0-N05-J31
Task 2828 of 4096 (2,1,2,0,0,12) R1F-M0-N05-J31
Task 2829 of 4096 (2,1,2,0,0,13) R1F-M0-N05-J31
Task 2830 of 4096 (2,1,2,0,0,14) R1F-M0-N05-J31
Task 2831 of 4096 (2,1,2,0,0,15) R1F-M0-N05-J31
Task 2832 of 4096 (2,1,2,0,1,0) R1F-M0-N05-J24
Task 2833 of 4096 (2,1,2,0,1,1) R1F-M0-N05-J24
Task 2834 of 4096 (2,1,2,0,1,2) R1F-M0-N05-J24
Task 2835 of 4096 (2,1,2,0,1,3) R1F-M0-N05-J24
Task 2836 of 4096 (2,1,2,0,1,4) R1F-M0-N05-J24
Task 2837 of 4096 (2,1,2,0,1,5) R1F-M0-N05-J24
Task 2838 of 4096 (2,1,2,0,1,6) R1F-M0-N05-J24
Task 2839 of 4096 (2,1,2,0,1,7) R1F-M0-N05-J24
Task 2840 of 4096 (2,1,2,0,1,8) R1F-M0-N05-J24
Task 2841 of 4096 (2,1,2,0,1,9) R1F-M0-N05-J24
Task 2842 of 4096 (2,1,2,0,1,10) R1F-M0-N05-J24
Task 2843 of 4096 (2,1,2,0,1,11) R1F-M0-N05-J24
Task 2844 of 4096 (2,1,2,0,1,12) R1F-M0-N05-J24
Task 2845 of 4096 (2,1,2,0,1,13) R1F-M0-N05-J24
Task 2846 of 4096 (2,1,2,0,1,14) R1F-M0-N05-J24
Task 2847 of 4096 (2,1,2,0,1,15) R1F-M0-N05-J24
Task 2848 of 4096 (2,1,2,1,0,0) R1F-M0-N05-J19
Task 2849 of 4096 (2,1,2,1,0,1) R1F-M0-N05-J19
Task 2850 of 4096 (2,1,2,1,0,2) R1F-M0-N05-J19
Task 2851 of 4096 (2,1,2,1,0,3) R1F-M0-N05-J19
Task 2852 of 4096 (2,1,2,1,0,4) R1F-M0-N05-J19
Task 2853 of 4096 (2,1,2,1,0,5) R1F-M0-N05-J19
Task 2854 of 4096 (2,1,2,1,0,6) R1F-M0-N05-J19
Task 2855 of 4096 (2,1,2,1,0,7) R1F-M0-N05-J19
Task 2856 of 4096 (2,1,2,1,0,8) R1F-M0-N05-J19
Task 2857 of 4096 (2,1,2,1,0,9) R1F-M0-N05-J19
Task 2858 of 4096 (2,1,2,1,0,10) R1F-M0-N05-J19
Task 2859 of 4096 (2,1,2,1,0,11) R1F-M0-N05-J19
Task 2860 of 4096 (2,1,2,1,0,12) R1F-M0-N05-J19
Task 2861 of 4096 (2,1,2,1,0,13) R1F-M0-N05-J19
Task 2862 of 4096 (2,1,2,1,0,14) R1F-M0-N05-J19
Task 2863 of 4096 (2,1,2,1,0,15) R1F-M0-N05-J19
Task 2864 of 4096 (2,1,2,1,1,0) R1F-M0-N05-J20
Task 2865 of 4096 (2,1,2,1,1,1) R1F-M0-N05-J20
Task 2866 of 4096 (2,1,2,1,1,2) R1F-M0-N05-J20
Task 2867 of 4096 (2,1,2,1,1,3) R1F-M0-N05-J20
Task 2868 of 4096 (2,1,2,1,1,4) R1F-M0-N05-J20
Task 2869 of 4096 (2,1,2,1,1,5) R1F-M0-N05-J20
Task 2870 of 4096 (2,1,2,1,1,6) R1F-M0-N05-J20
Task 2871 of 4096 (2,1,2,1,1,7) R1F-M0-N05-J20
Task 2872 of 4096 (2,1,2,1,1,8) R1F-M0-N05-J20
Task 2873 of 4096 (2,1,2,1,1,9) R1F-M0-N05-J20
Task 2874 of 4096 (2,1,2,1,1,10) R1F-M0-N05-J20
Task 2875 of 4096 (2,1,2,1,1,11) R1F-M0-N05-J20
Task 2876 of 4096 (2,1,2,1,1,12) R1F-M0-N05-J20
Task 2877 of 4096 (2,1,2,1,1,13) R1F-M0-N05-J20
Task 2878 of 4096 (2,1,2,1,1,14) R1F-M0-N05-J20
Task 2879 of 4096 (2,1,2,1,1,15) R1F-M0-N05-J20
Task 2880 of 4096 (2,1,2,2,0,0) R1F-M0-N07-J19
Task 2881 of 4096 (2,1,2,2,0,1) R1F-M0-N07-J19
Task 2882 of 4096 (2,1,2,2,0,2) R1F-M0-N07-J19
Task 2883 of 4096 (2,1,2,2,0,3) R1F-M0-N07-J19
Task 2884 of 4096 (2,1,2,2,0,4) R1F-M0-N07-J19
Task 2885 of 4096 (2,1,2,2,0,5) R1F-M0-N07-J19
Task 2886 of 4096 (2,1,2,2,0,6) R1F-M0-N07-J19
Task 2887 of 4096 (2,1,2,2,0,7) R1F-M0-N07-J19
Task 2888 of 4096 (2,1,2,2,0,8) R1F-M0-N07-J19
Task 2889 of 4096 (2,1,2,2,0,9) R1F-M0-N07-J19
Task 2890 of 4096 (2,1,2,2,0,10) R1F-M0-N07-J19
Task 2891 of 4096 (2,1,2,2,0,11) R1F-M0-N07-J19
Task 2892 of 4096 (2,1,2,2,0,12) R1F-M0-N07-J19
Task 2893 of 4096 (2,1,2,2,0,13) R1F-M0-N07-J19
Task 2894 of 4096 (2,1,2,2,0,14) R1F-M0-N07-J19
Task 2895 of 4096 (2,1,2,2,0,15) R1F-M0-N07-J19
Task 2896 of 4096 (2,1,2,2,1,0) R1F-M0-N07-J20
Task 2897 of 4096 (2,1,2,2,1,1) R1F-M0-N07-J20
Task 2898 of 4096 (2,1,2,2,1,2) R1F-M0-N07-J20
Task 2899 of 4096 (2,1,2,2,1,3) R1F-M0-N07-J20
Task 2900 of 4096 (2,1,2,2,1,4) R1F-M0-N07-J20
Task 2901 of 4096 (2,1,2,2,1,5) R1F-M0-N07-J20
Task 2902 of 4096 (2,1,2,2,1,6) R1F-M0-N07-J20
Task 2903 of 4096 (2,1,2,2,1,7) R1F-M0-N07-J20
Task 2904 of 4096 (2,1,2,2,1,8) R1F-M0-N07-J20
Task 2905 of 4096 (2,1,2,2,1,9) R1F-M0-N07-J20
Task 2906 of 4096 (2,1,2,2,1,10) R1F-M0-N07-J20
Task 2907 of 4096 (2,1,2,2,1,11) R1F-M0-N07-J20
Task 2908 of 4096 (2,1,2,2,1,12) R1F-M0-N07-J20
Task 2909 of 4096 (2,1,2,2,1,13) R1F-M0-N07-J20
Task 2910 of 4096 (2,1,2,2,1,14) R1F-M0-N07-J20
Task 2911 of 4096 (2,1,2,2,1,15) R1F-M0-N07-J20
Task 2912 of 4096 (2,1,2,3,0,0) R1F-M0-N07-J31
Task 2913 of 4096 (2,1,2,3,0,1) R1F-M0-N07-J31
Task 2914 of 4096 (2,1,2,3,0,2) R1F-M0-N07-J31
Task 2915 of 4096 (2,1,2,3,0,3) R1F-M0-N07-J31
Task 2916 of 4096 (2,1,2,3,0,4) R1F-M0-N07-J31
Task 2917 of 4096 (2,1,2,3,0,5) R1F-M0-N07-J31
Task 2918 of 4096 (2,1,2,3,0,6) R1F-M0-N07-J31
Task 2919 of 4096 (2,1,2,3,0,7) R1F-M0-N07-J31
Task 2920 of 4096 (2,1,2,3,0,8) R1F-M0-N07-J31
Task 2921 of 4096 (2,1,2,3,0,9) R1F-M0-N07-J31
Task 2922 of 4096 (2,1,2,3,0,10) R1F-M0-N07-J31
Task 2923 of 4096 (2,1,2,3,0,11) R1F-M0-N07-J31
Task 2924 of 4096 (2,1,2,3,0,12) R1F-M0-N07-J31
Task 2925 of 4096 (2,1,2,3,0,13) R1F-M0-N07-J31
Task 2926 of 4096 (2,1,2,3,0,14) R1F-M0-N07-J31
Task 2927 of 4096 (2,1,2,3,0,15) R1F-M0-N07-J31
Task 2928 of 4096 (2,1,2,3,1,0) R1F-M0-N07-J24
Task 2929 of 4096 (2,1,2,3,1,1) R1F-M0-N07-J24
Task 2930 of 4096 (2,1,2,3,1,2) R1F-M0-N07-J24
Task 2931 of 4096 (2,1,2,3,1,3) R1F-M0-N07-J24
Task 2932 of 4096 (2,1,2,3,1,4) R1F-M0-N07-J24
Task 2933 of 4096 (2,1,2,3,1,5) R1F-M0-N07-J24
Task 2934 of 4096 (2,1,2,3,1,6) R1F-M0-N07-J24
Task 2935 of 4096 (2,1,2,3,1,7) R1F-M0-N07-J24
Task 2936 of 4096 (2,1,2,3,1,8) R1F-M0-N07-J24
Task 2937 of 4096 (2,1,2,3,1,9) R1F-M0-N07-J24
Task 2938 of 4096 (2,1,2,3,1,10) R1F-M0-N07-J24
Task 2939 of 4096 (2,1,2,3,1,11) R1F-M0-N07-J24
Task 2940 of 4096 (2,1,2,3,1,12) R1F-M0-N07-J24
Task 2941 of 4096 (2,1,2,3,1,13) R1F-M0-N07-J24
Task 2942 of 4096 (2,1,2,3,1,14) R1F-M0-N07-J24
Task 2943 of 4096 (2,1,2,3,1,15) R1F-M0-N07-J24
Task 2944 of 4096 (2,1,3,0,0,0) R1F-M0-N05-J30
Task 2945 of 4096 (2,1,3,0,0,1) R1F-M0-N05-J30
Task 2946 of 4096 (2,1,3,0,0,2) R1F-M0-N05-J30
Task 2947 of 4096 (2,1,3,0,0,3) R1F-M0-N05-J30
Task 2948 of 4096 (2,1,3,0,0,4) R1F-M0-N05-J30
Task 2949 of 4096 (2,1,3,0,0,5) R1F-M0-N05-J30
Task 2950 of 4096 (2,1,3,0,0,6) R1F-M0-N05-J30
Task 2951 of 4096 (2,1,3,0,0,7) R1F-M0-N05-J30
Task 2952 of 4096 (2,1,3,0,0,8) R1F-M0-N05-J30
Task 2953 of 4096 (2,1,3,0,0,9) R1F-M0-N05-J30
Task 2954 of 4096 (2,1,3,0,0,10) R1F-M0-N05-J30
Task 2955 of 4096 (2,1,3,0,0,11) R1F-M0-N05-J30
Task 2956 of 4096 (2,1,3,0,0,12) R1F-M0-N05-J30
Task 2957 of 4096 (2,1,3,0,0,13) R1F-M0-N05-J30
Task 2958 of 4096 (2,1,3,0,0,14) R1F-M0-N05-J30
Task 2959 of 4096 (2,1,3,0,0,15) R1F-M0-N05-J30
Task 2960 of 4096 (2,1,3,0,1,0) R1F-M0-N05-J25
Task 2961 of 4096 (2,1,3,0,1,1) R1F-M0-N05-J25
Task 2962 of 4096 (2,1,3,0,1,2) R1F-M0-N05-J25
Task 2963 of 4096 (2,1,3,0,1,3) R1F-M0-N05-J25
Task 2964 of 4096 (2,1,3,0,1,4) R1F-M0-N05-J25
Task 2965 of 4096 (2,1,3,0,1,5) R1F-M0-N05-J25
Task 2966 of 4096 (2,1,3,0,1,6) R1F-M0-N05-J25
Task 2967 of 4096 (2,1,3,0,1,7) R1F-M0-N05-J25
Task 2968 of 4096 (2,1,3,0,1,8) R1F-M0-N05-J25
Task 2969 of 4096 (2,1,3,0,1,9) R1F-M0-N05-J25
Task 2970 of 4096 (2,1,3,0,1,10) R1F-M0-N05-J25
Task 2971 of 4096 (2,1,3,0,1,11) R1F-M0-N05-J25
Task 2972 of 4096 (2,1,3,0,1,12) R1F-M0-N05-J25
Task 2973 of 4096 (2,1,3,0,1,13) R1F-M0-N05-J25
Task 2974 of 4096 (2,1,3,0,1,14) R1F-M0-N05-J25
Task 2975 of 4096 (2,1,3,0,1,15) R1F-M0-N05-J25
Task 2976 of 4096 (2,1,3,1,0,0) R1F-M0-N05-J18
Task 2977 of 4096 (2,1,3,1,0,1) R1F-M0-N05-J18
Task 2978 of 4096 (2,1,3,1,0,2) R1F-M0-N05-J18
Task 2979 of 4096 (2,1,3,1,0,3) R1F-M0-N05-J18
Task 2980 of 4096 (2,1,3,1,0,4) R1F-M0-N05-J18
Task 2981 of 4096 (2,1,3,1,0,5) R1F-M0-N05-J18
Task 2982 of 4096 (2,1,3,1,0,6) R1F-M0-N05-J18
Task 2983 of 4096 (2,1,3,1,0,7) R1F-M0-N05-J18
Task 2984 of 4096 (2,1,3,1,0,8) R1F-M0-N05-J18
Task 2985 of 4096 (2,1,3,1,0,9) R1F-M0-N05-J18
Task 2986 of 4096 (2,1,3,1,0,10) R1F-M0-N05-J18
Task 2987 of 4096 (2,1,3,1,0,11) R1F-M0-N05-J18
Task 2988 of 4096 (2,1,3,1,0,12) R1F-M0-N05-J18
Task 2989 of 4096 (2,1,3,1,0,13) R1F-M0-N05-J18
Task 2990 of 4096 (2,1,3,1,0,14) R1F-M0-N05-J18
Task 2991 of 4096 (2,1,3,1,0,15) R1F-M0-N05-J18
Task 2992 of 4096 (2,1,3,1,1,0) R1F-M0-N05-J21
Task 2993 of 4096 (2,1,3,1,1,1) R1F-M0-N05-J21
Task 2994 of 4096 (2,1,3,1,1,2) R1F-M0-N05-J21
Task 2995 of 4096 (2,1,3,1,1,3) R1F-M0-N05-J21
Task 2996 of 4096 (2,1,3,1,1,4) R1F-M0-N05-J21
Task 2997 of 4096 (2,1,3,1,1,5) R1F-M0-N05-J21
Task 2998 of 4096 (2,1,3,1,1,6) R1F-M0-N05-J21
Task 2999 of 4096 (2,1,3,1,1,7) R1F-M0-N05-J21
Task 3000 of 4096 (2,1,3,1,1,8) R1F-M0-N05-J21
Task 3001 of 4096 (2,1,3,1,1,9) R1F-M0-N05-J21
Task 3002 of 4096 (2,1,3,1,1,10) R1F-M0-N05-J21
Task 3003 of 4096 (2,1,3,1,1,11) R1F-M0-N05-J21
Task 3004 of 4096 (2,1,3,1,1,12) R1F-M0-N05-J21
Task 3005 of 4096 (2,1,3,1,1,13) R1F-M0-N05-J21
Task 3006 of 4096 (2,1,3,1,1,14) R1F-M0-N05-J21
Task 3007 of 4096 (2,1,3,1,1,15) R1F-M0-N05-J21
Task 3008 of 4096 (2,1,3,2,0,0) R1F-M0-N07-J18
Task 3009 of 4096 (2,1,3,2,0,1) R1F-M0-N07-J18
Task 3010 of 4096 (2,1,3,2,0,2) R1F-M0-N07-J18
Task 3011 of 4096 (2,1,3,2,0,3) R1F-M0-N07-J18
Task 3012 of 4096 (2,1,3,2,0,4) R1F-M0-N07-J18
Task 3013 of 4096 (2,1,3,2,0,5) R1F-M0-N07-J18
Task 3014 of 4096 (2,1,3,2,0,6) R1F-M0-N07-J18
Task 3015 of 4096 (2,1,3,2,0,7) R1F-M0-N07-J18
Task 3016 of 4096 (2,1,3,2,0,8) R1F-M0-N07-J18
Task 3017 of 4096 (2,1,3,2,0,9) R1F-M0-N07-J18
Task 3018 of 4096 (2,1,3,2,0,10) R1F-M0-N07-J18
Task 3019 of 4096 (2,1,3,2,0,11) R1F-M0-N07-J18
Task 3020 of 4096 (2,1,3,2,0,12) R1F-M0-N07-J18
Task 3021 of 4096 (2,1,3,2,0,13) R1F-M0-N07-J18
Task 3022 of 4096 (2,1,3,2,0,14) R1F-M0-N07-J18
Task 3023 of 4096 (2,1,3,2,0,15) R1F-M0-N07-J18
Task 3024 of 4096 (2,1,3,2,1,0) R1F-M0-N07-J21
Task 3025 of 4096 (2,1,3,2,1,1) R1F-M0-N07-J21
Task 3026 of 4096 (2,1,3,2,1,2) R1F-M0-N07-J21
Task 3027 of 4096 (2,1,3,2,1,3) R1F-M0-N07-J21
Task 3028 of 4096 (2,1,3,2,1,4) R1F-M0-N07-J21
Task 3029 of 4096 (2,1,3,2,1,5) R1F-M0-N07-J21
Task 3030 of 4096 (2,1,3,2,1,6) R1F-M0-N07-J21
Task 3031 of 4096 (2,1,3,2,1,7) R1F-M0-N07-J21
Task 3032 of 4096 (2,1,3,2,1,8) R1F-M0-N07-J21
Task 3033 of 4096 (2,1,3,2,1,9) R1F-M0-N07-J21
Task 3034 of 4096 (2,1,3,2,1,10) R1F-M0-N07-J21
Task 3035 of 4096 (2,1,3,2,1,11) R1F-M0-N07-J21
Task 3036 of 4096 (2,1,3,2,1,12) R1F-M0-N07-J21
Task 3037 of 4096 (2,1,3,2,1,13) R1F-M0-N07-J21
Task 3038 of 4096 (2,1,3,2,1,14) R1F-M0-N07-J21
Task 3039 of 4096 (2,1,3,2,1,15) R1F-M0-N07-J21
Task 3040 of 4096 (2,1,3,3,0,0) R1F-M0-N07-J30
Task 3041 of 4096 (2,1,3,3,0,1) R1F-M0-N07-J30
Task 3042 of 4096 (2,1,3,3,0,2) R1F-M0-N07-J30
Task 3043 of 4096 (2,1,3,3,0,3) R1F-M0-N07-J30
Task 3044 of 4096 (2,1,3,3,0,4) R1F-M0-N07-J30
Task 3045 of 4096 (2,1,3,3,0,5) R1F-M0-N07-J30
Task 3046 of 4096 (2,1,3,3,0,6) R1F-M0-N07-J30
Task 3047 of 4096 (2,1,3,3,0,7) R1F-M0-N07-J30
Task 3048 of 4096 (2,1,3,3,0,8) R1F-M0-N07-J30
Task 3049 of 4096 (2,1,3,3,0,9) R1F-M0-N07-J30
Task 3050 of 4096 (2,1,3,3,0,10) R1F-M0-N07-J30
Task 3051 of 4096 (2,1,3,3,0,11) R1F-M0-N07-J30
Task 3052 of 4096 (2,1,3,3,0,12) R1F-M0-N07-J30
Task 3053 of 4096 (2,1,3,3,0,13) R1F-M0-N07-J30
Task 3054 of 4096 (2,1,3,3,0,14) R1F-M0-N07-J30
Task 3055 of 4096 (2,1,3,3,0,15) R1F-M0-N07-J30
Task 3056 of 4096 (2,1,3,3,1,0) R1F-M0-N07-J25
Task 3057 of 4096 (2,1,3,3,1,1) R1F-M0-N07-J25
Task 3058 of 4096 (2,1,3,3,1,2) R1F-M0-N07-J25
Task 3059 of 4096 (2,1,3,3,1,3) R1F-M0-N07-J25
Task 3060 of 4096 (2,1,3,3,1,4) R1F-M0-N07-J25
Task 3061 of 4096 (2,1,3,3,1,5) R1F-M0-N07-J25
Task 3062 of 4096 (2,1,3,3,1,6) R1F-M0-N07-J25
Task 3063 of 4096 (2,1,3,3,1,7) R1F-M0-N07-J25
Task 3064 of 4096 (2,1,3,3,1,8) R1F-M0-N07-J25
Task 3065 of 4096 (2,1,3,3,1,9) R1F-M0-N07-J25
Task 3066 of 4096 (2,1,3,3,1,10) R1F-M0-N07-J25
Task 3067 of 4096 (2,1,3,3,1,11) R1F-M0-N07-J25
Task 3068 of 4096 (2,1,3,3,1,12) R1F-M0-N07-J25
Task 3069 of 4096 (2,1,3,3,1,13) R1F-M0-N07-J25
Task 3070 of 4096 (2,1,3,3,1,14) R1F-M0-N07-J25
Task 3071 of 4096 (2,1,3,3,1,15) R1F-M0-N07-J25
Task 3072 of 4096 (3,0,0,0,0,0) R1F-M0-N04-J00
Task 3073 of 4096 (3,0,0,0,0,1) R1F-M0-N04-J00
Task 3074 of 4096 (3,0,0,0,0,2) R1F-M0-N04-J00
Task 3075 of 4096 (3,0,0,0,0,3) R1F-M0-N04-J00
Task 3076 of 4096 (3,0,0,0,0,4) R1F-M0-N04-J00
Task 3077 of 4096 (3,0,0,0,0,5) R1F-M0-N04-J00
Task 3078 of 4096 (3,0,0,0,0,6) R1F-M0-N04-J00
Task 3079 of 4096 (3,0,0,0,0,7) R1F-M0-N04-J00
Task 3080 of 4096 (3,0,0,0,0,8) R1F-M0-N04-J00
Task 3081 of 4096 (3,0,0,0,0,9) R1F-M0-N04-J00
Task 3082 of 4096 (3,0,0,0,0,10) R1F-M0-N04-J00
Task 3083 of 4096 (3,0,0,0,0,11) R1F-M0-N04-J00
Task 3084 of 4096 (3,0,0,0,0,12) R1F-M0-N04-J00
Task 3085 of 4096 (3,0,0,0,0,13) R1F-M0-N04-J00
Task 3086 of 4096 (3,0,0,0,0,14) R1F-M0-N04-J00
Task 3087 of 4096 (3,0,0,0,0,15) R1F-M0-N04-J00
Task 3088 of 4096 (3,0,0,0,1,0) R1F-M0-N04-J07
Task 3089 of 4096 (3,0,0,0,1,1) R1F-M0-N04-J07
Task 3090 of 4096 (3,0,0,0,1,2) R1F-M0-N04-J07
Task 3091 of 4096 (3,0,0,0,1,3) R1F-M0-N04-J07
Task 3092 of 4096 (3,0,0,0,1,4) R1F-M0-N04-J07
Task 3093 of 4096 (3,0,0,0,1,5) R1F-M0-N04-J07
Task 3094 of 4096 (3,0,0,0,1,6) R1F-M0-N04-J07
Task 3095 of 4096 (3,0,0,0,1,7) R1F-M0-N04-J07
Task 3096 of 4096 (3,0,0,0,1,8) R1F-M0-N04-J07
Task 3097 of 4096 (3,0,0,0,1,9) R1F-M0-N04-J07
Task 3098 of 4096 (3,0,0,0,1,10) R1F-M0-N04-J07
Task 3099 of 4096 (3,0,0,0,1,11) R1F-M0-N04-J07
Task 3100 of 4096 (3,0,0,0,1,12) R1F-M0-N04-J07
Task 3101 of 4096 (3,0,0,0,1,13) R1F-M0-N04-J07
Task 3102 of 4096 (3,0,0,0,1,14) R1F-M0-N04-J07
Task 3103 of 4096 (3,0,0,0,1,15) R1F-M0-N04-J07
Task 3104 of 4096 (3,0,0,1,0,0) R1F-M0-N04-J12
Task 3105 of 4096 (3,0,0,1,0,1) R1F-M0-N04-J12
Task 3106 of 4096 (3,0,0,1,0,2) R1F-M0-N04-J12
Task 3107 of 4096 (3,0,0,1,0,3) R1F-M0-N04-J12
Task 3108 of 4096 (3,0,0,1,0,4) R1F-M0-N04-J12
Task 3109 of 4096 (3,0,0,1,0,5) R1F-M0-N04-J12
Task 3110 of 4096 (3,0,0,1,0,6) R1F-M0-N04-J12
Task 3111 of 4096 (3,0,0,1,0,7) R1F-M0-N04-J12
Task 3112 of 4096 (3,0,0,1,0,8) R1F-M0-N04-J12
Task 3113 of 4096 (3,0,0,1,0,9) R1F-M0-N04-J12
Task 3114 of 4096 (3,0,0,1,0,10) R1F-M0-N04-J12
Task 3115 of 4096 (3,0,0,1,0,11) R1F-M0-N04-J12
Task 3116 of 4096 (3,0,0,1,0,12) R1F-M0-N04-J12
Task 3117 of 4096 (3,0,0,1,0,13) R1F-M0-N04-J12
Task 3118 of 4096 (3,0,0,1,0,14) R1F-M0-N04-J12
Task 3119 of 4096 (3,0,0,1,0,15) R1F-M0-N04-J12
Task 3120 of 4096 (3,0,0,1,1,0) R1F-M0-N04-J11
Task 3121 of 4096 (3,0,0,1,1,1) R1F-M0-N04-J11
Task 3122 of 4096 (3,0,0,1,1,2) R1F-M0-N04-J11
Task 3123 of 4096 (3,0,0,1,1,3) R1F-M0-N04-J11
Task 3124 of 4096 (3,0,0,1,1,4) R1F-M0-N04-J11
Task 3125 of 4096 (3,0,0,1,1,5) R1F-M0-N04-J11
Task 3126 of 4096 (3,0,0,1,1,6) R1F-M0-N04-J11
Task 3127 of 4096 (3,0,0,1,1,7) R1F-M0-N04-J11
Task 3128 of 4096 (3,0,0,1,1,8) R1F-M0-N04-J11
Task 3129 of 4096 (3,0,0,1,1,9) R1F-M0-N04-J11
Task 3130 of 4096 (3,0,0,1,1,10) R1F-M0-N04-J11
Task 3131 of 4096 (3,0,0,1,1,11) R1F-M0-N04-J11
Task 3132 of 4096 (3,0,0,1,1,12) R1F-M0-N04-J11
Task 3133 of 4096 (3,0,0,1,1,13) R1F-M0-N04-J11
Task 3134 of 4096 (3,0,0,1,1,14) R1F-M0-N04-J11
Task 3135 of 4096 (3,0,0,1,1,15) R1F-M0-N04-J11
Task 3136 of 4096 (3,0,0,2,0,0) R1F-M0-N06-J12
Task 3137 of 4096 (3,0,0,2,0,1) R1F-M0-N06-J12
Task 3138 of 4096 (3,0,0,2,0,2) R1F-M0-N06-J12
Task 3139 of 4096 (3,0,0,2,0,3) R1F-M0-N06-J12
Task 3140 of 4096 (3,0,0,2,0,4) R1F-M0-N06-J12
Task 3141 of 4096 (3,0,0,2,0,5) R1F-M0-N06-J12
Task 3142 of 4096 (3,0,0,2,0,6) R1F-M0-N06-J12
Task 3143 of 4096 (3,0,0,2,0,7) R1F-M0-N06-J12
Task 3144 of 4096 (3,0,0,2,0,8) R1F-M0-N06-J12
Task 3145 of 4096 (3,0,0,2,0,9) R1F-M0-N06-J12
Task 3146 of 4096 (3,0,0,2,0,10) R1F-M0-N06-J12
Task 3147 of 4096 (3,0,0,2,0,11) R1F-M0-N06-J12
Task 3148 of 4096 (3,0,0,2,0,12) R1F-M0-N06-J12
Task 3149 of 4096 (3,0,0,2,0,13) R1F-M0-N06-J12
Task 3150 of 4096 (3,0,0,2,0,14) R1F-M0-N06-J12
Task 3151 of 4096 (3,0,0,2,0,15) R1F-M0-N06-J12
Task 3152 of 4096 (3,0,0,2,1,0) R1F-M0-N06-J11
Task 3153 of 4096 (3,0,0,2,1,1) R1F-M0-N06-J11
Task 3154 of 4096 (3,0,0,2,1,2) R1F-M0-N06-J11
Task 3155 of 4096 (3,0,0,2,1,3) R1F-M0-N06-J11
Task 3156 of 4096 (3,0,0,2,1,4) R1F-M0-N06-J11
Task 3157 of 4096 (3,0,0,2,1,5) R1F-M0-N06-J11
Task 3158 of 4096 (3,0,0,2,1,6) R1F-M0-N06-J11
Task 3159 of 4096 (3,0,0,2,1,7) R1F-M0-N06-J11
Task 3160 of 4096 (3,0,0,2,1,8) R1F-M0-N06-J11
Task 3161 of 4096 (3,0,0,2,1,9) R1F-M0-N06-J11
Task 3162 of 4096 (3,0,0,2,1,10) R1F-M0-N06-J11
Task 3163 of 4096 (3,0,0,2,1,11) R1F-M0-N06-J11
Task 3164 of 4096 (3,0,0,2,1,12) R1F-M0-N06-J11
Task 3165 of 4096 (3,0,0,2,1,13) R1F-M0-N06-J11
Task 3166 of 4096 (3,0,0,2,1,14) R1F-M0-N06-J11
Task 3167 of 4096 (3,0,0,2,1,15) R1F-M0-N06-J11
Task 3168 of 4096 (3,0,0,3,0,0) R1F-M0-N06-J00
Task 3169 of 4096 (3,0,0,3,0,1) R1F-M0-N06-J00
Task 3170 of 4096 (3,0,0,3,0,2) R1F-M0-N06-J00
Task 3171 of 4096 (3,0,0,3,0,3) R1F-M0-N06-J00
Task 3172 of 4096 (3,0,0,3,0,4) R1F-M0-N06-J00
Task 3173 of 4096 (3,0,0,3,0,5) R1F-M0-N06-J00
Task 3174 of 4096 (3,0,0,3,0,6) R1F-M0-N06-J00
Task 3175 of 4096 (3,0,0,3,0,7) R1F-M0-N06-J00
Task 3176 of 4096 (3,0,0,3,0,8) R1F-M0-N06-J00
Task 3177 of 4096 (3,0,0,3,0,9) R1F-M0-N06-J00
Task 3178 of 4096 (3,0,0,3,0,10) R1F-M0-N06-J00
Task 3179 of 4096 (3,0,0,3,0,11) R1F-M0-N06-J00
Task 3180 of 4096 (3,0,0,3,0,12) R1F-M0-N06-J00
Task 3181 of 4096 (3,0,0,3,0,13) R1F-M0-N06-J00
Task 3182 of 4096 (3,0,0,3,0,14) R1F-M0-N06-J00
Task 3183 of 4096 (3,0,0,3,0,15) R1F-M0-N06-J00
Task 3184 of 4096 (3,0,0,3,1,0) R1F-M0-N06-J07
Task 3185 of 4096 (3,0,0,3,1,1) R1F-M0-N06-J07
Task 3186 of 4096 (3,0,0,3,1,2) R1F-M0-N06-J07
Task 3187 of 4096 (3,0,0,3,1,3) R1F-M0-N06-J07
Task 3188 of 4096 (3,0,0,3,1,4) R1F-M0-N06-J07
Task 3189 of 4096 (3,0,0,3,1,5) R1F-M0-N06-J07
Task 3190 of 4096 (3,0,0,3,1,6) R1F-M0-N06-J07
Task 3191 of 4096 (3,0,0,3,1,7) R1F-M0-N06-J07
Task 3192 of 4096 (3,0,0,3,1,8) R1F-M0-N06-J07
Task 3193 of 4096 (3,0,0,3,1,9) R1F-M0-N06-J07
Task 3194 of 4096 (3,0,0,3,1,10) R1F-M0-N06-J07
Task 3195 of 4096 (3,0,0,3,1,11) R1F-M0-N06-J07
Task 3196 of 4096 (3,0,0,3,1,12) R1F-M0-N06-J07
Task 3197 of 4096 (3,0,0,3,1,13) R1F-M0-N06-J07
Task 3198 of 4096 (3,0,0,3,1,14) R1F-M0-N06-J07
Task 3199 of 4096 (3,0,0,3,1,15) R1F-M0-N06-J07
Task 3200 of 4096 (3,0,1,0,0,0) R1F-M0-N04-J01
Task 3201 of 4096 (3,0,1,0,0,1) R1F-M0-N04-J01
Task 3202 of 4096 (3,0,1,0,0,2) R1F-M0-N04-J01
Task 3203 of 4096 (3,0,1,0,0,3) R1F-M0-N04-J01
Task 3204 of 4096 (3,0,1,0,0,4) R1F-M0-N04-J01
Task 3205 of 4096 (3,0,1,0,0,5) R1F-M0-N04-J01
Task 3206 of 4096 (3,0,1,0,0,6) R1F-M0-N04-J01
Task 3207 of 4096 (3,0,1,0,0,7) R1F-M0-N04-J01
Task 3208 of 4096 (3,0,1,0,0,8) R1F-M0-N04-J01
Task 3209 of 4096 (3,0,1,0,0,9) R1F-M0-N04-J01
Task 3210 of 4096 (3,0,1,0,0,10) R1F-M0-N04-J01
Task 3211 of 4096 (3,0,1,0,0,11) R1F-M0-N04-J01
Task 3212 of 4096 (3,0,1,0,0,12) R1F-M0-N04-J01
Task 3213 of 4096 (3,0,1,0,0,13) R1F-M0-N04-J01
Task 3214 of 4096 (3,0,1,0,0,14) R1F-M0-N04-J01
Task 3215 of 4096 (3,0,1,0,0,15) R1F-M0-N04-J01
Task 3216 of 4096 (3,0,1,0,1,0) R1F-M0-N04-J06
Task 3217 of 4096 (3,0,1,0,1,1) R1F-M0-N04-J06
Task 3218 of 4096 (3,0,1,0,1,2) R1F-M0-N04-J06
Task 3219 of 4096 (3,0,1,0,1,3) R1F-M0-N04-J06
Task 3220 of 4096 (3,0,1,0,1,4) R1F-M0-N04-J06
Task 3221 of 4096 (3,0,1,0,1,5) R1F-M0-N04-J06
Task 3222 of 4096 (3,0,1,0,1,6) R1F-M0-N04-J06
Task 3223 of 4096 (3,0,1,0,1,7) R1F-M0-N04-J06
Task 3224 of 4096 (3,0,1,0,1,8) R1F-M0-N04-J06
Task 3225 of 4096 (3,0,1,0,1,9) R1F-M0-N04-J06
Task 3226 of 4096 (3,0,1,0,1,10) R1F-M0-N04-J06
Task 3227 of 4096 (3,0,1,0,1,11) R1F-M0-N04-J06
Task 3228 of 4096 (3,0,1,0,1,12) R1F-M0-N04-J06
Task 3229 of 4096 (3,0,1,0,1,13) R1F-M0-N04-J06
Task 3230 of 4096 (3,0,1,0,1,14) R1F-M0-N04-J06
Task 3231 of 4096 (3,0,1,0,1,15) R1F-M0-N04-J06
Task 3232 of 4096 (3,0,1,1,0,0) R1F-M0-N04-J13
Task 3233 of 4096 (3,0,1,1,0,1) R1F-M0-N04-J13
Task 3234 of 4096 (3,0,1,1,0,2) R1F-M0-N04-J13
Task 3235 of 4096 (3,0,1,1,0,3) R1F-M0-N04-J13
Task 3236 of 4096 (3,0,1,1,0,4) R1F-M0-N04-J13
Task 3237 of 4096 (3,0,1,1,0,5) R1F-M0-N04-J13
Task 3238 of 4096 (3,0,1,1,0,6) R1F-M0-N04-J13
Task 3239 of 4096 (3,0,1,1,0,7) R1F-M0-N04-J13
Task 3240 of 4096 (3,0,1,1,0,8) R1F-M0-N04-J13
Task 3241 of 4096 (3,0,1,1,0,9) R1F-M0-N04-J13
Task 3242 of 4096 (3,0,1,1,0,10) R1F-M0-N04-J13
Task 3243 of 4096 (3,0,1,1,0,11) R1F-M0-N04-J13
Task 3244 of 4096 (3,0,1,1,0,12) R1F-M0-N04-J13
Task 3245 of 4096 (3,0,1,1,0,13) R1F-M0-N04-J13
Task 3246 of 4096 (3,0,1,1,0,14) R1F-M0-N04-J13
Task 3247 of 4096 (3,0,1,1,0,15) R1F-M0-N04-J13
Task 3248 of 4096 (3,0,1,1,1,0) R1F-M0-N04-J10
Task 3249 of 4096 (3,0,1,1,1,1) R1F-M0-N04-J10
Task 3250 of 4096 (3,0,1,1,1,2) R1F-M0-N04-J10
Task 3251 of 4096 (3,0,1,1,1,3) R1F-M0-N04-J10
Task 3252 of 4096 (3,0,1,1,1,4) R1F-M0-N04-J10
Task 3253 of 4096 (3,0,1,1,1,5) R1F-M0-N04-J10
Task 3254 of 4096 (3,0,1,1,1,6) R1F-M0-N04-J10
Task 3255 of 4096 (3,0,1,1,1,7) R1F-M0-N04-J10
Task 3256 of 4096 (3,0,1,1,1,8) R1F-M0-N04-J10
Task 3257 of 4096 (3,0,1,1,1,9) R1F-M0-N04-J10
Task 3258 of 4096 (3,0,1,1,1,10) R1F-M0-N04-J10
Task 3259 of 4096 (3,0,1,1,1,11) R1F-M0-N04-J10
Task 3260 of 4096 (3,0,1,1,1,12) R1F-M0-N04-J10
Task 3261 of 4096 (3,0,1,1,1,13) R1F-M0-N04-J10
Task 3262 of 4096 (3,0,1,1,1,14) R1F-M0-N04-J10
Task 3263 of 4096 (3,0,1,1,1,15) R1F-M0-N04-J10
Task 3264 of 4096 (3,0,1,2,0,0) R1F-M0-N06-J13
Task 3265 of 4096 (3,0,1,2,0,1) R1F-M0-N06-J13
Task 3266 of 4096 (3,0,1,2,0,2) R1F-M0-N06-J13
Task 3267 of 4096 (3,0,1,2,0,3) R1F-M0-N06-J13
Task 3268 of 4096 (3,0,1,2,0,4) R1F-M0-N06-J13
Task 3269 of 4096 (3,0,1,2,0,5) R1F-M0-N06-J13
Task 3270 of 4096 (3,0,1,2,0,6) R1F-M0-N06-J13
Task 3271 of 4096 (3,0,1,2,0,7) R1F-M0-N06-J13
Task 3272 of 4096 (3,0,1,2,0,8) R1F-M0-N06-J13
Task 3273 of 4096 (3,0,1,2,0,9) R1F-M0-N06-J13
Task 3274 of 4096 (3,0,1,2,0,10) R1F-M0-N06-J13
Task 3275 of 4096 (3,0,1,2,0,11) R1F-M0-N06-J13
Task 3276 of 4096 (3,0,1,2,0,12) R1F-M0-N06-J13
Task 3277 of 4096 (3,0,1,2,0,13) R1F-M0-N06-J13
Task 3278 of 4096 (3,0,1,2,0,14) R1F-M0-N06-J13
Task 3279 of 4096 (3,0,1,2,0,15) R1F-M0-N06-J13
Task 3280 of 4096 (3,0,1,2,1,0) R1F-M0-N06-J10
Task 3281 of 4096 (3,0,1,2,1,1) R1F-M0-N06-J10
Task 3282 of 4096 (3,0,1,2,1,2) R1F-M0-N06-J10
Task 3283 of 4096 (3,0,1,2,1,3) R1F-M0-N06-J10
Task 3284 of 4096 (3,0,1,2,1,4) R1F-M0-N06-J10
Task 3285 of 4096 (3,0,1,2,1,5) R1F-M0-N06-J10
Task 3286 of 4096 (3,0,1,2,1,6) R1F-M0-N06-J10
Task 3287 of 4096 (3,0,1,2,1,7) R1F-M0-N06-J10
Task 3288 of 4096 (3,0,1,2,1,8) R1F-M0-N06-J10
Task 3289 of 4096 (3,0,1,2,1,9) R1F-M0-N06-J10
Task 3290 of 4096 (3,0,1,2,1,10) R1F-M0-N06-J10
Task 3291 of 4096 (3,0,1,2,1,11) R1F-M0-N06-J10
Task 3292 of 4096 (3,0,1,2,1,12) R1F-M0-N06-J10
Task 3293 of 4096 (3,0,1,2,1,13) R1F-M0-N06-J10
Task 3294 of 4096 (3,0,1,2,1,14) R1F-M0-N06-J10
Task 3295 of 4096 (3,0,1,2,1,15) R1F-M0-N06-J10
Task 3296 of 4096 (3,0,1,3,0,0) R1F-M0-N06-J01
Task 3297 of 4096 (3,0,1,3,0,1) R1F-M0-N06-J01
Task 3298 of 4096 (3,0,1,3,0,2) R1F-M0-N06-J01
Task 3299 of 4096 (3,0,1,3,0,3) R1F-M0-N06-J01
Task 3300 of 4096 (3,0,1,3,0,4) R1F-M0-N06-J01
Task 3301 of 4096 (3,0,1,3,0,5) R1F-M0-N06-J01
Task 3302 of 4096 (3,0,1,3,0,6) R1F-M0-N06-J01
Task 3303 of 4096 (3,0,1,3,0,7) R1F-M0-N06-J01
Task 3304 of 4096 (3,0,1,3,0,8) R1F-M0-N06-J01
Task 3305 of 4096 (3,0,1,3,0,9) R1F-M0-N06-J01
Task 3306 of 4096 (3,0,1,3,0,10) R1F-M0-N06-J01
Task 3307 of 4096 (3,0,1,3,0,11) R1F-M0-N06-J01
Task 3308 of 4096 (3,0,1,3,0,12) R1F-M0-N06-J01
Task 3309 of 4096 (3,0,1,3,0,13) R1F-M0-N06-J01
Task 3310 of 4096 (3,0,1,3,0,14) R1F-M0-N06-J01
Task 3311 of 4096 (3,0,1,3,0,15) R1F-M0-N06-J01
Task 3312 of 4096 (3,0,1,3,1,0) R1F-M0-N06-J06
Task 3313 of 4096 (3,0,1,3,1,1) R1F-M0-N06-J06
Task 3314 of 4096 (3,0,1,3,1,2) R1F-M0-N06-J06
Task 3315 of 4096 (3,0,1,3,1,3) R1F-M0-N06-J06
Task 3316 of 4096 (3,0,1,3,1,4) R1F-M0-N06-J06
Task 3317 of 4096 (3,0,1,3,1,5) R1F-M0-N06-J06
Task 3318 of 4096 (3,0,1,3,1,6) R1F-M0-N06-J06
Task 3319 of 4096 (3,0,1,3,1,7) R1F-M0-N06-J06
Task 3320 of 4096 (3,0,1,3,1,8) R1F-M0-N06-J06
Task 3321 of 4096 (3,0,1,3,1,9) R1F-M0-N06-J06
Task 3322 of 4096 (3,0,1,3,1,10) R1F-M0-N06-J06
Task 3323 of 4096 (3,0,1,3,1,11) R1F-M0-N06-J06
Task 3324 of 4096 (3,0,1,3,1,12) R1F-M0-N06-J06
Task 3325 of 4096 (3,0,1,3,1,13) R1F-M0-N06-J06
Task 3326 of 4096 (3,0,1,3,1,14) R1F-M0-N06-J06
Task 3327 of 4096 (3,0,1,3,1,15) R1F-M0-N06-J06
Task 3328 of 4096 (3,0,2,0,0,0) R1F-M0-N05-J01
Task 3329 of 4096 (3,0,2,0,0,1) R1F-M0-N05-J01
Task 3330 of 4096 (3,0,2,0,0,2) R1F-M0-N05-J01
Task 3331 of 4096 (3,0,2,0,0,3) R1F-M0-N05-J01
Task 3332 of 4096 (3,0,2,0,0,4) R1F-M0-N05-J01
Task 3333 of 4096 (3,0,2,0,0,5) R1F-M0-N05-J01
Task 3334 of 4096 (3,0,2,0,0,6) R1F-M0-N05-J01
Task 3335 of 4096 (3,0,2,0,0,7) R1F-M0-N05-J01
Task 3336 of 4096 (3,0,2,0,0,8) R1F-M0-N05-J01
Task 3337 of 4096 (3,0,2,0,0,9) R1F-M0-N05-J01
Task 3338 of 4096 (3,0,2,0,0,10) R1F-M0-N05-J01
Task 3339 of 4096 (3,0,2,0,0,11) R1F-M0-N05-J01
Task 3340 of 4096 (3,0,2,0,0,12) R1F-M0-N05-J01
Task 3341 of 4096 (3,0,2,0,0,13) R1F-M0-N05-J01
Task 3342 of 4096 (3,0,2,0,0,14) R1F-M0-N05-J01
Task 3343 of 4096 (3,0,2,0,0,15) R1F-M0-N05-J01
Task 3344 of 4096 (3,0,2,0,1,0) R1F-M0-N05-J06
Task 3345 of 4096 (3,0,2,0,1,1) R1F-M0-N05-J06
Task 3346 of 4096 (3,0,2,0,1,2) R1F-M0-N05-J06
Task 3347 of 4096 (3,0,2,0,1,3) R1F-M0-N05-J06
Task 3348 of 4096 (3,0,2,0,1,4) R1F-M0-N05-J06
Task 3349 of 4096 (3,0,2,0,1,5) R1F-M0-N05-J06
Task 3350 of 4096 (3,0,2,0,1,6) R1F-M0-N05-J06
Task 3351 of 4096 (3,0,2,0,1,7) R1F-M0-N05-J06
Task 3352 of 4096 (3,0,2,0,1,8) R1F-M0-N05-J06
Task 3353 of 4096 (3,0,2,0,1,9) R1F-M0-N05-J06
Task 3354 of 4096 (3,0,2,0,1,10) R1F-M0-N05-J06
Task 3355 of 4096 (3,0,2,0,1,11) R1F-M0-N05-J06
Task 3356 of 4096 (3,0,2,0,1,12) R1F-M0-N05-J06
Task 3357 of 4096 (3,0,2,0,1,13) R1F-M0-N05-J06
Task 3358 of 4096 (3,0,2,0,1,14) R1F-M0-N05-J06
Task 3359 of 4096 (3,0,2,0,1,15) R1F-M0-N05-J06
Task 3360 of 4096 (3,0,2,1,0,0) R1F-M0-N05-J13
Task 3361 of 4096 (3,0,2,1,0,1) R1F-M0-N05-J13
Task 3362 of 4096 (3,0,2,1,0,2) R1F-M0-N05-J13
Task 3363 of 4096 (3,0,2,1,0,3) R1F-M0-N05-J13
Task 3364 of 4096 (3,0,2,1,0,4) R1F-M0-N05-J13
Task 3365 of 4096 (3,0,2,1,0,5) R1F-M0-N05-J13
Task 3366 of 4096 (3,0,2,1,0,6) R1F-M0-N05-J13
Task 3367 of 4096 (3,0,2,1,0,7) R1F-M0-N05-J13
Task 3368 of 4096 (3,0,2,1,0,8) R1F-M0-N05-J13
Task 3369 of 4096 (3,0,2,1,0,9) R1F-M0-N05-J13
Task 3370 of 4096 (3,0,2,1,0,10) R1F-M0-N05-J13
Task 3371 of 4096 (3,0,2,1,0,11) R1F-M0-N05-J13
Task 3372 of 4096 (3,0,2,1,0,12) R1F-M0-N05-J13
Task 3373 of 4096 (3,0,2,1,0,13) R1F-M0-N05-J13
Task 3374 of 4096 (3,0,2,1,0,14) R1F-M0-N05-J13
Task 3375 of 4096 (3,0,2,1,0,15) R1F-M0-N05-J13
Task 3376 of 4096 (3,0,2,1,1,0) R1F-M0-N05-J10
Task 3377 of 4096 (3,0,2,1,1,1) R1F-M0-N05-J10
Task 3378 of 4096 (3,0,2,1,1,2) R1F-M0-N05-J10
Task 3379 of 4096 (3,0,2,1,1,3) R1F-M0-N05-J10
Task 3380 of 4096 (3,0,2,1,1,4) R1F-M0-N05-J10
Task 3381 of 4096 (3,0,2,1,1,5) R1F-M0-N05-J10
Task 3382 of 4096 (3,0,2,1,1,6) R1F-M0-N05-J10
Task 3383 of 4096 (3,0,2,1,1,7) R1F-M0-N05-J10
Task 3384 of 4096 (3,0,2,1,1,8) R1F-M0-N05-J10
Task 3385 of 4096 (3,0,2,1,1,9) R1F-M0-N05-J10
Task 3386 of 4096 (3,0,2,1,1,10) R1F-M0-N05-J10
Task 3387 of 4096 (3,0,2,1,1,11) R1F-M0-N05-J10
Task 3388 of 4096 (3,0,2,1,1,12) R1F-M0-N05-J10
Task 3389 of 4096 (3,0,2,1,1,13) R1F-M0-N05-J10
Task 3390 of 4096 (3,0,2,1,1,14) R1F-M0-N05-J10
Task 3391 of 4096 (3,0,2,1,1,15) R1F-M0-N05-J10
Task 3392 of 4096 (3,0,2,2,0,0) R1F-M0-N07-J13
Task 3393 of 4096 (3,0,2,2,0,1) R1F-M0-N07-J13
Task 3394 of 4096 (3,0,2,2,0,2) R1F-M0-N07-J13
Task 3395 of 4096 (3,0,2,2,0,3) R1F-M0-N07-J13
Task 3396 of 4096 (3,0,2,2,0,4) R1F-M0-N07-J13
Task 3397 of 4096 (3,0,2,2,0,5) R1F-M0-N07-J13
Task 3398 of 4096 (3,0,2,2,0,6) R1F-M0-N07-J13
Task 3399 of 4096 (3,0,2,2,0,7) R1F-M0-N07-J13
Task 3400 of 4096 (3,0,2,2,0,8) R1F-M0-N07-J13
Task 3401 of 4096 (3,0,2,2,0,9) R1F-M0-N07-J13
Task 3402 of 4096 (3,0,2,2,0,10) R1F-M0-N07-J13
Task 3403 of 4096 (3,0,2,2,0,11) R1F-M0-N07-J13
Task 3404 of 4096 (3,0,2,2,0,12) R1F-M0-N07-J13
Task 3405 of 4096 (3,0,2,2,0,13) R1F-M0-N07-J13
Task 3406 of 4096 (3,0,2,2,0,14) R1F-M0-N07-J13
Task 3407 of 4096 (3,0,2,2,0,15) R1F-M0-N07-J13
Task 3408 of 4096 (3,0,2,2,1,0) R1F-M0-N07-J10
Task 3409 of 4096 (3,0,2,2,1,1) R1F-M0-N07-J10
Task 3410 of 4096 (3,0,2,2,1,2) R1F-M0-N07-J10
Task 3411 of 4096 (3,0,2,2,1,3) R1F-M0-N07-J10
Task 3412 of 4096 (3,0,2,2,1,4) R1F-M0-N07-J10
Task 3413 of 4096 (3,0,2,2,1,5) R1F-M0-N07-J10
Task 3414 of 4096 (3,0,2,2,1,6) R1F-M0-N07-J10
Task 3415 of 4096 (3,0,2,2,1,7) R1F-M0-N07-J10
Task 3416 of 4096 (3,0,2,2,1,8) R1F-M0-N07-J10
Task 3417 of 4096 (3,0,2,2,1,9) R1F-M0-N07-J10
Task 3418 of 4096 (3,0,2,2,1,10) R1F-M0-N07-J10
Task 3419 of 4096 (3,0,2,2,1,11) R1F-M0-N07-J10
Task 3420 of 4096 (3,0,2,2,1,12) R1F-M0-N07-J10
Task 3421 of 4096 (3,0,2,2,1,13) R1F-M0-N07-J10
Task 3422 of 4096 (3,0,2,2,1,14) R1F-M0-N07-J10
Task 3423 of 4096 (3,0,2,2,1,15) R1F-M0-N07-J10
Task 3424 of 4096 (3,0,2,3,0,0) R1F-M0-N07-J01
Task 3425 of 4096 (3,0,2,3,0,1) R1F-M0-N07-J01
Task 3426 of 4096 (3,0,2,3,0,2) R1F-M0-N07-J01
Task 3427 of 4096 (3,0,2,3,0,3) R1F-M0-N07-J01
Task 3428 of 4096 (3,0,2,3,0,4) R1F-M0-N07-J01
Task 3429 of 4096 (3,0,2,3,0,5) R1F-M0-N07-J01
Task 3430 of 4096 (3,0,2,3,0,6) R1F-M0-N07-J01
Task 3431 of 4096 (3,0,2,3,0,7) R1F-M0-N07-J01
Task 3432 of 4096 (3,0,2,3,0,8) R1F-M0-N07-J01
Task 3433 of 4096 (3,0,2,3,0,9) R1F-M0-N07-J01
Task 3434 of 4096 (3,0,2,3,0,10) R1F-M0-N07-J01
Task 3435 of 4096 (3,0,2,3,0,11) R1F-M0-N07-J01
Task 3436 of 4096 (3,0,2,3,0,12) R1F-M0-N07-J01
Task 3437 of 4096 (3,0,2,3,0,13) R1F-M0-N07-J01
Task 3438 of 4096 (3,0,2,3,0,14) R1F-M0-N07-J01
Task 3439 of 4096 (3,0,2,3,0,15) R1F-M0-N07-J01
Task 3440 of 4096 (3,0,2,3,1,0) R1F-M0-N07-J06
Task 3441 of 4096 (3,0,2,3,1,1) R1F-M0-N07-J06
Task 3442 of 4096 (3,0,2,3,1,2) R1F-M0-N07-J06
Task 3443 of 4096 (3,0,2,3,1,3) R1F-M0-N07-J06
Task 3444 of 4096 (3,0,2,3,1,4) R1F-M0-N07-J06
Task 3445 of 4096 (3,0,2,3,1,5) R1F-M0-N07-J06
Task 3446 of 4096 (3,0,2,3,1,6) R1F-M0-N07-J06
Task 3447 of 4096 (3,0,2,3,1,7) R1F-M0-N07-J06
Task 3448 of 4096 (3,0,2,3,1,8) R1F-M0-N07-J06
Task 3449 of 4096 (3,0,2,3,1,9) R1F-M0-N07-J06
Task 3450 of 4096 (3,0,2,3,1,10) R1F-M0-N07-J06
Task 3451 of 4096 (3,0,2,3,1,11) R1F-M0-N07-J06
Task 3452 of 4096 (3,0,2,3,1,12) R1F-M0-N07-J06
Task 3453 of 4096 (3,0,2,3,1,13) R1F-M0-N07-J06
Task 3454 of 4096 (3,0,2,3,1,14) R1F-M0-N07-J06
Task 3455 of 4096 (3,0,2,3,1,15) R1F-M0-N07-J06
Task 3456 of 4096 (3,0,3,0,0,0) R1F-M0-N05-J00
Task 3457 of 4096 (3,0,3,0,0,1) R1F-M0-N05-J00
Task 3458 of 4096 (3,0,3,0,0,2) R1F-M0-N05-J00
Task 3459 of 4096 (3,0,3,0,0,3) R1F-M0-N05-J00
Task 3460 of 4096 (3,0,3,0,0,4) R1F-M0-N05-J00
Task 3461 of 4096 (3,0,3,0,0,5) R1F-M0-N05-J00
Task 3462 of 4096 (3,0,3,0,0,6) R1F-M0-N05-J00
Task 3463 of 4096 (3,0,3,0,0,7) R1F-M0-N05-J00
Task 3464 of 4096 (3,0,3,0,0,8) R1F-M0-N05-J00
Task 3465 of 4096 (3,0,3,0,0,9) R1F-M0-N05-J00
Task 3466 of 4096 (3,0,3,0,0,10) R1F-M0-N05-J00
Task 3467 of 4096 (3,0,3,0,0,11) R1F-M0-N05-J00
Task 3468 of 4096 (3,0,3,0,0,12) R1F-M0-N05-J00
Task 3469 of 4096 (3,0,3,0,0,13) R1F-M0-N05-J00
Task 3470 of 4096 (3,0,3,0,0,14) R1F-M0-N05-J00
Task 3471 of 4096 (3,0,3,0,0,15) R1F-M0-N05-J00
Task 3472 of 4096 (3,0,3,0,1,0) R1F-M0-N05-J07
Task 3473 of 4096 (3,0,3,0,1,1) R1F-M0-N05-J07
Task 3474 of 4096 (3,0,3,0,1,2) R1F-M0-N05-J07
Task 3475 of 4096 (3,0,3,0,1,3) R1F-M0-N05-J07
Task 3476 of 4096 (3,0,3,0,1,4) R1F-M0-N05-J07
Task 3477 of 4096 (3,0,3,0,1,5) R1F-M0-N05-J07
Task 3478 of 4096 (3,0,3,0,1,6) R1F-M0-N05-J07
Task 3479 of 4096 (3,0,3,0,1,7) R1F-M0-N05-J07
Task 3480 of 4096 (3,0,3,0,1,8) R1F-M0-N05-J07
Task 3481 of 4096 (3,0,3,0,1,9) R1F-M0-N05-J07
Task 3482 of 4096 (3,0,3,0,1,10) R1F-M0-N05-J07
Task 3483 of 4096 (3,0,3,0,1,11) R1F-M0-N05-J07
Task 3484 of 4096 (3,0,3,0,1,12) R1F-M0-N05-J07
Task 3485 of 4096 (3,0,3,0,1,13) R1F-M0-N05-J07
Task 3486 of 4096 (3,0,3,0,1,14) R1F-M0-N05-J07
Task 3487 of 4096 (3,0,3,0,1,15) R1F-M0-N05-J07
Task 3488 of 4096 (3,0,3,1,0,0) R1F-M0-N05-J12
Task 3489 of 4096 (3,0,3,1,0,1) R1F-M0-N05-J12
Task 3490 of 4096 (3,0,3,1,0,2) R1F-M0-N05-J12
Task 3491 of 4096 (3,0,3,1,0,3) R1F-M0-N05-J12
Task 3492 of 4096 (3,0,3,1,0,4) R1F-M0-N05-J12
Task 3493 of 4096 (3,0,3,1,0,5) R1F-M0-N05-J12
Task 3494 of 4096 (3,0,3,1,0,6) R1F-M0-N05-J12
Task 3495 of 4096 (3,0,3,1,0,7) R1F-M0-N05-J12
Task 3496 of 4096 (3,0,3,1,0,8) R1F-M0-N05-J12
Task 3497 of 4096 (3,0,3,1,0,9) R1F-M0-N05-J12
Task 3498 of 4096 (3,0,3,1,0,10) R1F-M0-N05-J12
Task 3499 of 4096 (3,0,3,1,0,11) R1F-M0-N05-J12
Task 3500 of 4096 (3,0,3,1,0,12) R1F-M0-N05-J12
Task 3501 of 4096 (3,0,3,1,0,13) R1F-M0-N05-J12
Task 3502 of 4096 (3,0,3,1,0,14) R1F-M0-N05-J12
Task 3503 of 4096 (3,0,3,1,0,15) R1F-M0-N05-J12
Task 3504 of 4096 (3,0,3,1,1,0) R1F-M0-N05-J11
Task 3505 of 4096 (3,0,3,1,1,1) R1F-M0-N05-J11
Task 3506 of 4096 (3,0,3,1,1,2) R1F-M0-N05-J11
Task 3507 of 4096 (3,0,3,1,1,3) R1F-M0-N05-J11
Task 3508 of 4096 (3,0,3,1,1,4) R1F-M0-N05-J11
Task 3509 of 4096 (3,0,3,1,1,5) R1F-M0-N05-J11
Task 3510 of 4096 (3,0,3,1,1,6) R1F-M0-N05-J11
Task 3511 of 4096 (3,0,3,1,1,7) R1F-M0-N05-J11
Task 3512 of 4096 (3,0,3,1,1,8) R1F-M0-N05-J11
Task 3513 of 4096 (3,0,3,1,1,9) R1F-M0-N05-J11
Task 3514 of 4096 (3,0,3,1,1,10) R1F-M0-N05-J11
Task 3515 of 4096 (3,0,3,1,1,11) R1F-M0-N05-J11
Task 3516 of 4096 (3,0,3,1,1,12) R1F-M0-N05-J11
Task 3517 of 4096 (3,0,3,1,1,13) R1F-M0-N05-J11
Task 3518 of 4096 (3,0,3,1,1,14) R1F-M0-N05-J11
Task 3519 of 4096 (3,0,3,1,1,15) R1F-M0-N05-J11
Task 3520 of 4096 (3,0,3,2,0,0) R1F-M0-N07-J12
Task 3521 of 4096 (3,0,3,2,0,1) R1F-M0-N07-J12
Task 3522 of 4096 (3,0,3,2,0,2) R1F-M0-N07-J12
Task 3523 of 4096 (3,0,3,2,0,3) R1F-M0-N07-J12
Task 3524 of 4096 (3,0,3,2,0,4) R1F-M0-N07-J12
Task 3525 of 4096 (3,0,3,2,0,5) R1F-M0-N07-J12
Task 3526 of 4096 (3,0,3,2,0,6) R1F-M0-N07-J12
Task 3527 of 4096 (3,0,3,2,0,7) R1F-M0-N07-J12
Task 3528 of 4096 (3,0,3,2,0,8) R1F-M0-N07-J12
Task 3529 of 4096 (3,0,3,2,0,9) R1F-M0-N07-J12
Task 3530 of 4096 (3,0,3,2,0,10) R1F-M0-N07-J12
Task 3531 of 4096 (3,0,3,2,0,11) R1F-M0-N07-J12
Task 3532 of 4096 (3,0,3,2,0,12) R1F-M0-N07-J12
Task 3533 of 4096 (3,0,3,2,0,13) R1F-M0-N07-J12
Task 3534 of 4096 (3,0,3,2,0,14) R1F-M0-N07-J12
Task 3535 of 4096 (3,0,3,2,0,15) R1F-M0-N07-J12
Task 3536 of 4096 (3,0,3,2,1,0) R1F-M0-N07-J11
Task 3537 of 4096 (3,0,3,2,1,1) R1F-M0-N07-J11
Task 3538 of 4096 (3,0,3,2,1,2) R1F-M0-N07-J11
Task 3539 of 4096 (3,0,3,2,1,3) R1F-M0-N07-J11
Task 3540 of 4096 (3,0,3,2,1,4) R1F-M0-N07-J11
Task 3541 of 4096 (3,0,3,2,1,5) R1F-M0-N07-J11
Task 3542 of 4096 (3,0,3,2,1,6) R1F-M0-N07-J11
Task 3543 of 4096 (3,0,3,2,1,7) R1F-M0-N07-J11
Task 3544 of 4096 (3,0,3,2,1,8) R1F-M0-N07-J11
Task 3545 of 4096 (3,0,3,2,1,9) R1F-M0-N07-J11
Task 3546 of 4096 (3,0,3,2,1,10) R1F-M0-N07-J11
Task 3547 of 4096 (3,0,3,2,1,11) R1F-M0-N07-J11
Task 3548 of 4096 (3,0,3,2,1,12) R1F-M0-N07-J11
Task 3549 of 4096 (3,0,3,2,1,13) R1F-M0-N07-J11
Task 3550 of 4096 (3,0,3,2,1,14) R1F-M0-N07-J11
Task 3551 of 4096 (3,0,3,2,1,15) R1F-M0-N07-J11
Task 3552 of 4096 (3,0,3,3,0,0) R1F-M0-N07-J00
Task 3553 of 4096 (3,0,3,3,0,1) R1F-M0-N07-J00
Task 3554 of 4096 (3,0,3,3,0,2) R1F-M0-N07-J00
Task 3555 of 4096 (3,0,3,3,0,3) R1F-M0-N07-J00
Task 3556 of 4096 (3,0,3,3,0,4) R1F-M0-N07-J00
Task 3557 of 4096 (3,0,3,3,0,5) R1F-M0-N07-J00
Task 3558 of 4096 (3,0,3,3,0,6) R1F-M0-N07-J00
Task 3559 of 4096 (3,0,3,3,0,7) R1F-M0-N07-J00
Task 3560 of 4096 (3,0,3,3,0,8) R1F-M0-N07-J00
Task 3561 of 4096 (3,0,3,3,0,9) R1F-M0-N07-J00
Task 3562 of 4096 (3,0,3,3,0,10) R1F-M0-N07-J00
Task 3563 of 4096 (3,0,3,3,0,11) R1F-M0-N07-J00
Task 3564 of 4096 (3,0,3,3,0,12) R1F-M0-N07-J00
Task 3565 of 4096 (3,0,3,3,0,13) R1F-M0-N07-J00
Task 3566 of 4096 (3,0,3,3,0,14) R1F-M0-N07-J00
Task 3567 of 4096 (3,0,3,3,0,15) R1F-M0-N07-J00
Task 3568 of 4096 (3,0,3,3,1,0) R1F-M0-N07-J07
Task 3569 of 4096 (3,0,3,3,1,1) R1F-M0-N07-J07
Task 3570 of 4096 (3,0,3,3,1,2) R1F-M0-N07-J07
Task 3571 of 4096 (3,0,3,3,1,3) R1F-M0-N07-J07
Task 3572 of 4096 (3,0,3,3,1,4) R1F-M0-N07-J07
Task 3573 of 4096 (3,0,3,3,1,5) R1F-M0-N07-J07
Task 3574 of 4096 (3,0,3,3,1,6) R1F-M0-N07-J07
Task 3575 of 4096 (3,0,3,3,1,7) R1F-M0-N07-J07
Task 3576 of 4096 (3,0,3,3,1,8) R1F-M0-N07-J07
Task 3577 of 4096 (3,0,3,3,1,9) R1F-M0-N07-J07
Task 3578 of 4096 (3,0,3,3,1,10) R1F-M0-N07-J07
Task 3579 of 4096 (3,0,3,3,1,11) R1F-M0-N07-J07
Task 3580 of 4096 (3,0,3,3,1,12) R1F-M0-N07-J07
Task 3581 of 4096 (3,0,3,3,1,13) R1F-M0-N07-J07
Task 3582 of 4096 (3,0,3,3,1,14) R1F-M0-N07-J07
Task 3583 of 4096 (3,0,3,3,1,15) R1F-M0-N07-J07
Task 3584 of 4096 (3,1,0,0,0,0) R1F-M0-N04-J03
Task 3585 of 4096 (3,1,0,0,0,1) R1F-M0-N04-J03
Task 3586 of 4096 (3,1,0,0,0,2) R1F-M0-N04-J03
Task 3587 of 4096 (3,1,0,0,0,3) R1F-M0-N04-J03
Task 3588 of 4096 (3,1,0,0,0,4) R1F-M0-N04-J03
Task 3589 of 4096 (3,1,0,0,0,5) R1F-M0-N04-J03
Task 3590 of 4096 (3,1,0,0,0,6) R1F-M0-N04-J03
Task 3591 of 4096 (3,1,0,0,0,7) R1F-M0-N04-J03
Task 3592 of 4096 (3,1,0,0,0,8) R1F-M0-N04-J03
Task 3593 of 4096 (3,1,0,0,0,9) R1F-M0-N04-J03
Task 3594 of 4096 (3,1,0,0,0,10) R1F-M0-N04-J03
Task 3595 of 4096 (3,1,0,0,0,11) R1F-M0-N04-J03
Task 3596 of 4096 (3,1,0,0,0,12) R1F-M0-N04-J03
Task 3597 of 4096 (3,1,0,0,0,13) R1F-M0-N04-J03
Task 3598 of 4096 (3,1,0,0,0,14) R1F-M0-N04-J03
Task 3599 of 4096 (3,1,0,0,0,15) R1F-M0-N04-J03
Task 3600 of 4096 (3,1,0,0,1,0) R1F-M0-N04-J04
Task 3601 of 4096 (3,1,0,0,1,1) R1F-M0-N04-J04
Task 3602 of 4096 (3,1,0,0,1,2) R1F-M0-N04-J04
Task 3603 of 4096 (3,1,0,0,1,3) R1F-M0-N04-J04
Task 3604 of 4096 (3,1,0,0,1,4) R1F-M0-N04-J04
Task 3605 of 4096 (3,1,0,0,1,5) R1F-M0-N04-J04
Task 3606 of 4096 (3,1,0,0,1,6) R1F-M0-N04-J04
Task 3607 of 4096 (3,1,0,0,1,7) R1F-M0-N04-J04
Task 3608 of 4096 (3,1,0,0,1,8) R1F-M0-N04-J04
Task 3609 of 4096 (3,1,0,0,1,9) R1F-M0-N04-J04
Task 3610 of 4096 (3,1,0,0,1,10) R1F-M0-N04-J04
Task 3611 of 4096 (3,1,0,0,1,11) R1F-M0-N04-J04
Task 3612 of 4096 (3,1,0,0,1,12) R1F-M0-N04-J04
Task 3613 of 4096 (3,1,0,0,1,13) R1F-M0-N04-J04
Task 3614 of 4096 (3,1,0,0,1,14) R1F-M0-N04-J04
Task 3615 of 4096 (3,1,0,0,1,15) R1F-M0-N04-J04
Task 3616 of 4096 (3,1,0,1,0,0) R1F-M0-N04-J15
Task 3617 of 4096 (3,1,0,1,0,1) R1F-M0-N04-J15
Task 3618 of 4096 (3,1,0,1,0,2) R1F-M0-N04-J15
Task 3619 of 4096 (3,1,0,1,0,3) R1F-M0-N04-J15
Task 3620 of 4096 (3,1,0,1,0,4) R1F-M0-N04-J15
Task 3621 of 4096 (3,1,0,1,0,5) R1F-M0-N04-J15
Task 3622 of 4096 (3,1,0,1,0,6) R1F-M0-N04-J15
Task 3623 of 4096 (3,1,0,1,0,7) R1F-M0-N04-J15
Task 3624 of 4096 (3,1,0,1,0,8) R1F-M0-N04-J15
Task 3625 of 4096 (3,1,0,1,0,9) R1F-M0-N04-J15
Task 3626 of 4096 (3,1,0,1,0,10) R1F-M0-N04-J15
Task 3627 of 4096 (3,1,0,1,0,11) R1F-M0-N04-J15
Task 3628 of 4096 (3,1,0,1,0,12) R1F-M0-N04-J15
Task 3629 of 4096 (3,1,0,1,0,13) R1F-M0-N04-J15
Task 3630 of 4096 (3,1,0,1,0,14) R1F-M0-N04-J15
Task 3631 of 4096 (3,1,0,1,0,15) R1F-M0-N04-J15
Task 3632 of 4096 (3,1,0,1,1,0) R1F-M0-N04-J08
Task 3633 of 4096 (3,1,0,1,1,1) R1F-M0-N04-J08
Task 3634 of 4096 (3,1,0,1,1,2) R1F-M0-N04-J08
Task 3635 of 4096 (3,1,0,1,1,3) R1F-M0-N04-J08
Task 3636 of 4096 (3,1,0,1,1,4) R1F-M0-N04-J08
Task 3637 of 4096 (3,1,0,1,1,5) R1F-M0-N04-J08
Task 3638 of 4096 (3,1,0,1,1,6) R1F-M0-N04-J08
Task 3639 of 4096 (3,1,0,1,1,7) R1F-M0-N04-J08
Task 3640 of 4096 (3,1,0,1,1,8) R1F-M0-N04-J08
Task 3641 of 4096 (3,1,0,1,1,9) R1F-M0-N04-J08
Task 3642 of 4096 (3,1,0,1,1,10) R1F-M0-N04-J08
Task 3643 of 4096 (3,1,0,1,1,11) R1F-M0-N04-J08
Task 3644 of 4096 (3,1,0,1,1,12) R1F-M0-N04-J08
Task 3645 of 4096 (3,1,0,1,1,13) R1F-M0-N04-J08
Task 3646 of 4096 (3,1,0,1,1,14) R1F-M0-N04-J08
Task 3647 of 4096 (3,1,0,1,1,15) R1F-M0-N04-J08
Task 3648 of 4096 (3,1,0,2,0,0) R1F-M0-N06-J15
Task 3649 of 4096 (3,1,0,2,0,1) R1F-M0-N06-J15
Task 3650 of 4096 (3,1,0,2,0,2) R1F-M0-N06-J15
Task 3651 of 4096 (3,1,0,2,0,3) R1F-M0-N06-J15
Task 3652 of 4096 (3,1,0,2,0,4) R1F-M0-N06-J15
Task 3653 of 4096 (3,1,0,2,0,5) R1F-M0-N06-J15
Task 3654 of 4096 (3,1,0,2,0,6) R1F-M0-N06-J15
Task 3655 of 4096 (3,1,0,2,0,7) R1F-M0-N06-J15
Task 3656 of 4096 (3,1,0,2,0,8) R1F-M0-N06-J15
Task 3657 of 4096 (3,1,0,2,0,9) R1F-M0-N06-J15
Task 3658 of 4096 (3,1,0,2,0,10) R1F-M0-N06-J15
Task 3659 of 4096 (3,1,0,2,0,11) R1F-M0-N06-J15
Task 3660 of 4096 (3,1,0,2,0,12) R1F-M0-N06-J15
Task 3661 of 4096 (3,1,0,2,0,13) R1F-M0-N06-J15
Task 3662 of 4096 (3,1,0,2,0,14) R1F-M0-N06-J15
Task 3663 of 4096 (3,1,0,2,0,15) R1F-M0-N06-J15
Task 3664 of 4096 (3,1,0,2,1,0) R1F-M0-N06-J08
Task 3665 of 4096 (3,1,0,2,1,1) R1F-M0-N06-J08
Task 3666 of 4096 (3,1,0,2,1,2) R1F-M0-N06-J08
Task 3667 of 4096 (3,1,0,2,1,3) R1F-M0-N06-J08
Task 3668 of 4096 (3,1,0,2,1,4) R1F-M0-N06-J08
Task 3669 of 4096 (3,1,0,2,1,5) R1F-M0-N06-J08
Task 3670 of 4096 (3,1,0,2,1,6) R1F-M0-N06-J08
Task 3671 of 4096 (3,1,0,2,1,7) R1F-M0-N06-J08
Task 3672 of 4096 (3,1,0,2,1,8) R1F-M0-N06-J08
Task 3673 of 4096 (3,1,0,2,1,9) R1F-M0-N06-J08
Task 3674 of 4096 (3,1,0,2,1,10) R1F-M0-N06-J08
Task 3675 of 4096 (3,1,0,2,1,11) R1F-M0-N06-J08
Task 3676 of 4096 (3,1,0,2,1,12) R1F-M0-N06-J08
Task 3677 of 4096 (3,1,0,2,1,13) R1F-M0-N06-J08
Task 3678 of 4096 (3,1,0,2,1,14) R1F-M0-N06-J08
Task 3679 of 4096 (3,1,0,2,1,15) R1F-M0-N06-J08
Task 3680 of 4096 (3,1,0,3,0,0) R1F-M0-N06-J03
Task 3681 of 4096 (3,1,0,3,0,1) R1F-M0-N06-J03
Task 3682 of 4096 (3,1,0,3,0,2) R1F-M0-N06-J03
Task 3683 of 4096 (3,1,0,3,0,3) R1F-M0-N06-J03
Task 3684 of 4096 (3,1,0,3,0,4) R1F-M0-N06-J03
Task 3685 of 4096 (3,1,0,3,0,5) R1F-M0-N06-J03
Task 3686 of 4096 (3,1,0,3,0,6) R1F-M0-N06-J03
Task 3687 of 4096 (3,1,0,3,0,7) R1F-M0-N06-J03
Task 3688 of 4096 (3,1,0,3,0,8) R1F-M0-N06-J03
Task 3689 of 4096 (3,1,0,3,0,9) R1F-M0-N06-J03
Task 3690 of 4096 (3,1,0,3,0,10) R1F-M0-N06-J03
Task 3691 of 4096 (3,1,0,3,0,11) R1F-M0-N06-J03
Task 3692 of 4096 (3,1,0,3,0,12) R1F-M0-N06-J03
Task 3693 of 4096 (3,1,0,3,0,13) R1F-M0-N06-J03
Task 3694 of 4096 (3,1,0,3,0,14) R1F-M0-N06-J03
Task 3695 of 4096 (3,1,0,3,0,15) R1F-M0-N06-J03
Task 3696 of 4096 (3,1,0,3,1,0) R1F-M0-N06-J04
Task 3697 of 4096 (3,1,0,3,1,1) R1F-M0-N06-J04
Task 3698 of 4096 (3,1,0,3,1,2) R1F-M0-N06-J04
Task 3699 of 4096 (3,1,0,3,1,3) R1F-M0-N06-J04
Task 3700 of 4096 (3,1,0,3,1,4) R1F-M0-N06-J04
Task 3701 of 4096 (3,1,0,3,1,5) R1F-M0-N06-J04
Task 3702 of 4096 (3,1,0,3,1,6) R1F-M0-N06-J04
Task 3703 of 4096 (3,1,0,3,1,7) R1F-M0-N06-J04
Task 3704 of 4096 (3,1,0,3,1,8) R1F-M0-N06-J04
Task 3705 of 4096 (3,1,0,3,1,9) R1F-M0-N06-J04
Task 3706 of 4096 (3,1,0,3,1,10) R1F-M0-N06-J04
Task 3707 of 4096 (3,1,0,3,1,11) R1F-M0-N06-J04
Task 3708 of 4096 (3,1,0,3,1,12) R1F-M0-N06-J04
Task 3709 of 4096 (3,1,0,3,1,13) R1F-M0-N06-J04
Task 3710 of 4096 (3,1,0,3,1,14) R1F-M0-N06-J04
Task 3711 of 4096 (3,1,0,3,1,15) R1F-M0-N06-J04
Task 3712 of 4096 (3,1,1,0,0,0) R1F-M0-N04-J02
Task 3713 of 4096 (3,1,1,0,0,1) R1F-M0-N04-J02
Task 3714 of 4096 (3,1,1,0,0,2) R1F-M0-N04-J02
Task 3715 of 4096 (3,1,1,0,0,3) R1F-M0-N04-J02
Task 3716 of 4096 (3,1,1,0,0,4) R1F-M0-N04-J02
Task 3717 of 4096 (3,1,1,0,0,5) R1F-M0-N04-J02
Task 3718 of 4096 (3,1,1,0,0,6) R1F-M0-N04-J02
Task 3719 of 4096 (3,1,1,0,0,7) R1F-M0-N04-J02
Task 3720 of 4096 (3,1,1,0,0,8) R1F-M0-N04-J02
Task 3721 of 4096 (3,1,1,0,0,9) R1F-M0-N04-J02
Task 3722 of 4096 (3,1,1,0,0,10) R1F-M0-N04-J02
Task 3723 of 4096 (3,1,1,0,0,11) R1F-M0-N04-J02
Task 3724 of 4096 (3,1,1,0,0,12) R1F-M0-N04-J02
Task 3725 of 4096 (3,1,1,0,0,13) R1F-M0-N04-J02
Task 3726 of 4096 (3,1,1,0,0,14) R1F-M0-N04-J02
Task 3727 of 4096 (3,1,1,0,0,15) R1F-M0-N04-J02
Task 3728 of 4096 (3,1,1,0,1,0) R1F-M0-N04-J05
Task 3729 of 4096 (3,1,1,0,1,1) R1F-M0-N04-J05
Task 3730 of 4096 (3,1,1,0,1,2) R1F-M0-N04-J05
Task 3731 of 4096 (3,1,1,0,1,3) R1F-M0-N04-J05
Task 3732 of 4096 (3,1,1,0,1,4) R1F-M0-N04-J05
Task 3733 of 4096 (3,1,1,0,1,5) R1F-M0-N04-J05
Task 3734 of 4096 (3,1,1,0,1,6) R1F-M0-N04-J05
Task 3735 of 4096 (3,1,1,0,1,7) R1F-M0-N04-J05
Task 3736 of 4096 (3,1,1,0,1,8) R1F-M0-N04-J05
Task 3737 of 4096 (3,1,1,0,1,9) R1F-M0-N04-J05
Task 3738 of 4096 (3,1,1,0,1,10) R1F-M0-N04-J05
Task 3739 of 4096 (3,1,1,0,1,11) R1F-M0-N04-J05
Task 3740 of 4096 (3,1,1,0,1,12) R1F-M0-N04-J05
Task 3741 of 4096 (3,1,1,0,1,13) R1F-M0-N04-J05
Task 3742 of 4096 (3,1,1,0,1,14) R1F-M0-N04-J05
Task 3743 of 4096 (3,1,1,0,1,15) R1F-M0-N04-J05
Task 3744 of 4096 (3,1,1,1,0,0) R1F-M0-N04-J14
Task 3745 of 4096 (3,1,1,1,0,1) R1F-M0-N04-J14
Task 3746 of 4096 (3,1,1,1,0,2) R1F-M0-N04-J14
Task 3747 of 4096 (3,1,1,1,0,3) R1F-M0-N04-J14
Task 3748 of 4096 (3,1,1,1,0,4) R1F-M0-N04-J14
Task 3749 of 4096 (3,1,1,1,0,5) R1F-M0-N04-J14
Task 3750 of 4096 (3,1,1,1,0,6) R1F-M0-N04-J14
Task 3751 of 4096 (3,1,1,1,0,7) R1F-M0-N04-J14
Task 3752 of 4096 (3,1,1,1,0,8) R1F-M0-N04-J14
Task 3753 of 4096 (3,1,1,1,0,9) R1F-M0-N04-J14
Task 3754 of 4096 (3,1,1,1,0,10) R1F-M0-N04-J14
Task 3755 of 4096 (3,1,1,1,0,11) R1F-M0-N04-J14
Task 3756 of 4096 (3,1,1,1,0,12) R1F-M0-N04-J14
Task 3757 of 4096 (3,1,1,1,0,13) R1F-M0-N04-J14
Task 3758 of 4096 (3,1,1,1,0,14) R1F-M0-N04-J14
Task 3759 of 4096 (3,1,1,1,0,15) R1F-M0-N04-J14
Task 3760 of 4096 (3,1,1,1,1,0) R1F-M0-N04-J09
Task 3761 of 4096 (3,1,1,1,1,1) R1F-M0-N04-J09
Task 3762 of 4096 (3,1,1,1,1,2) R1F-M0-N04-J09
Task 3763 of 4096 (3,1,1,1,1,3) R1F-M0-N04-J09
Task 3764 of 4096 (3,1,1,1,1,4) R1F-M0-N04-J09
Task 3765 of 4096 (3,1,1,1,1,5) R1F-M0-N04-J09
Task 3766 of 4096 (3,1,1,1,1,6) R1F-M0-N04-J09
Task 3767 of 4096 (3,1,1,1,1,7) R1F-M0-N04-J09
Task 3768 of 4096 (3,1,1,1,1,8) R1F-M0-N04-J09
Task 3769 of 4096 (3,1,1,1,1,9) R1F-M0-N04-J09
Task 3770 of 4096 (3,1,1,1,1,10) R1F-M0-N04-J09
Task 3771 of 4096 (3,1,1,1,1,11) R1F-M0-N04-J09
Task 3772 of 4096 (3,1,1,1,1,12) R1F-M0-N04-J09
Task 3773 of 4096 (3,1,1,1,1,13) R1F-M0-N04-J09
Task 3774 of 4096 (3,1,1,1,1,14) R1F-M0-N04-J09
Task 3775 of 4096 (3,1,1,1,1,15) R1F-M0-N04-J09
Task 3776 of 4096 (3,1,1,2,0,0) R1F-M0-N06-J14
Task 3777 of 4096 (3,1,1,2,0,1) R1F-M0-N06-J14
Task 3778 of 4096 (3,1,1,2,0,2) R1F-M0-N06-J14
Task 3779 of 4096 (3,1,1,2,0,3) R1F-M0-N06-J14
Task 3780 of 4096 (3,1,1,2,0,4) R1F-M0-N06-J14
Task 3781 of 4096 (3,1,1,2,0,5) R1F-M0-N06-J14
Task 3782 of 4096 (3,1,1,2,0,6) R1F-M0-N06-J14
Task 3783 of 4096 (3,1,1,2,0,7) R1F-M0-N06-J14
Task 3784 of 4096 (3,1,1,2,0,8) R1F-M0-N06-J14
Task 3785 of 4096 (3,1,1,2,0,9) R1F-M0-N06-J14
Task 3786 of 4096 (3,1,1,2,0,10) R1F-M0-N06-J14
Task 3787 of 4096 (3,1,1,2,0,11) R1F-M0-N06-J14
Task 3788 of 4096 (3,1,1,2,0,12) R1F-M0-N06-J14
Task 3789 of 4096 (3,1,1,2,0,13) R1F-M0-N06-J14
Task 3790 of 4096 (3,1,1,2,0,14) R1F-M0-N06-J14
Task 3791 of 4096 (3,1,1,2,0,15) R1F-M0-N06-J14
Task 3792 of 4096 (3,1,1,2,1,0) R1F-M0-N06-J09
Task 3793 of 4096 (3,1,1,2,1,1) R1F-M0-N06-J09
Task 3794 of 4096 (3,1,1,2,1,2) R1F-M0-N06-J09
Task 3795 of 4096 (3,1,1,2,1,3) R1F-M0-N06-J09
Task 3796 of 4096 (3,1,1,2,1,4) R1F-M0-N06-J09
Task 3797 of 4096 (3,1,1,2,1,5) R1F-M0-N06-J09
Task 3798 of 4096 (3,1,1,2,1,6) R1F-M0-N06-J09
Task 3799 of 4096 (3,1,1,2,1,7) R1F-M0-N06-J09
Task 3800 of 4096 (3,1,1,2,1,8) R1F-M0-N06-J09
Task 3801 of 4096 (3,1,1,2,1,9) R1F-M0-N06-J09
Task 3802 of 4096 (3,1,1,2,1,10) R1F-M0-N06-J09
Task 3803 of 4096 (3,1,1,2,1,11) R1F-M0-N06-J09
Task 3804 of 4096 (3,1,1,2,1,12) R1F-M0-N06-J09
Task 3805 of 4096 (3,1,1,2,1,13) R1F-M0-N06-J09
Task 3806 of 4096 (3,1,1,2,1,14) R1F-M0-N06-J09
Task 3807 of 4096 (3,1,1,2,1,15) R1F-M0-N06-J09
Task 3808 of 4096 (3,1,1,3,0,0) R1F-M0-N06-J02
Task 3809 of 4096 (3,1,1,3,0,1) R1F-M0-N06-J02
Task 3810 of 4096 (3,1,1,3,0,2) R1F-M0-N06-J02
Task 3811 of 4096 (3,1,1,3,0,3) R1F-M0-N06-J02
Task 3812 of 4096 (3,1,1,3,0,4) R1F-M0-N06-J02
Task 3813 of 4096 (3,1,1,3,0,5) R1F-M0-N06-J02
Task 3814 of 4096 (3,1,1,3,0,6) R1F-M0-N06-J02
Task 3815 of 4096 (3,1,1,3,0,7) R1F-M0-N06-J02
Task 3816 of 4096 (3,1,1,3,0,8) R1F-M0-N06-J02
Task 3817 of 4096 (3,1,1,3,0,9) R1F-M0-N06-J02
Task 3818 of 4096 (3,1,1,3,0,10) R1F-M0-N06-J02
Task 3819 of 4096 (3,1,1,3,0,11) R1F-M0-N06-J02
Task 3820 of 4096 (3,1,1,3,0,12) R1F-M0-N06-J02
Task 3821 of 4096 (3,1,1,3,0,13) R1F-M0-N06-J02
Task 3822 of 4096 (3,1,1,3,0,14) R1F-M0-N06-J02
Task 3823 of 4096 (3,1,1,3,0,15) R1F-M0-N06-J02
Task 3824 of 4096 (3,1,1,3,1,0) R1F-M0-N06-J05
Task 3825 of 4096 (3,1,1,3,1,1) R1F-M0-N06-J05
Task 3826 of 4096 (3,1,1,3,1,2) R1F-M0-N06-J05
Task 3827 of 4096 (3,1,1,3,1,3) R1F-M0-N06-J05
Task 3828 of 4096 (3,1,1,3,1,4) R1F-M0-N06-J05
Task 3829 of 4096 (3,1,1,3,1,5) R1F-M0-N06-J05
Task 3830 of 4096 (3,1,1,3,1,6) R1F-M0-N06-J05
Task 3831 of 4096 (3,1,1,3,1,7) R1F-M0-N06-J05
Task 3832 of 4096 (3,1,1,3,1,8) R1F-M0-N06-J05
Task 3833 of 4096 (3,1,1,3,1,9) R1F-M0-N06-J05
Task 3834 of 4096 (3,1,1,3,1,10) R1F-M0-N06-J05
Task 3835 of 4096 (3,1,1,3,1,11) R1F-M0-N06-J05
Task 3836 of 4096 (3,1,1,3,1,12) R1F-M0-N06-J05
Task 3837 of 4096 (3,1,1,3,1,13) R1F-M0-N06-J05
Task 3838 of 4096 (3,1,1,3,1,14) R1F-M0-N06-J05
Task 3839 of 4096 (3,1,1,3,1,15) R1F-M0-N06-J05
Task 3840 of 4096 (3,1,2,0,0,0) R1F-M0-N05-J02
Task 3841 of 4096 (3,1,2,0,0,1) R1F-M0-N05-J02
Task 3842 of 4096 (3,1,2,0,0,2) R1F-M0-N05-J02
Task 3843 of 4096 (3,1,2,0,0,3) R1F-M0-N05-J02
Task 3844 of 4096 (3,1,2,0,0,4) R1F-M0-N05-J02
Task 3845 of 4096 (3,1,2,0,0,5) R1F-M0-N05-J02
Task 3846 of 4096 (3,1,2,0,0,6) R1F-M0-N05-J02
Task 3847 of 4096 (3,1,2,0,0,7) R1F-M0-N05-J02
Task 3848 of 4096 (3,1,2,0,0,8) R1F-M0-N05-J02
Task 3849 of 4096 (3,1,2,0,0,9) R1F-M0-N05-J02
Task 3850 of 4096 (3,1,2,0,0,10) R1F-M0-N05-J02
Task 3851 of 4096 (3,1,2,0,0,11) R1F-M0-N05-J02
Task 3852 of 4096 (3,1,2,0,0,12) R1F-M0-N05-J02
Task 3853 of 4096 (3,1,2,0,0,13) R1F-M0-N05-J02
Task 3854 of 4096 (3,1,2,0,0,14) R1F-M0-N05-J02
Task 3855 of 4096 (3,1,2,0,0,15) R1F-M0-N05-J02
Task 3856 of 4096 (3,1,2,0,1,0) R1F-M0-N05-J05
Task 3857 of 4096 (3,1,2,0,1,1) R1F-M0-N05-J05
Task 3858 of 4096 (3,1,2,0,1,2) R1F-M0-N05-J05
Task 3859 of 4096 (3,1,2,0,1,3) R1F-M0-N05-J05
Task 3860 of 4096 (3,1,2,0,1,4) R1F-M0-N05-J05
Task 3861 of 4096 (3,1,2,0,1,5) R1F-M0-N05-J05
Task 3862 of 4096 (3,1,2,0,1,6) R1F-M0-N05-J05
Task 3863 of 4096 (3,1,2,0,1,7) R1F-M0-N05-J05
Task 3864 of 4096 (3,1,2,0,1,8) R1F-M0-N05-J05
Task 3865 of 4096 (3,1,2,0,1,9) R1F-M0-N05-J05
Task 3866 of 4096 (3,1,2,0,1,10) R1F-M0-N05-J05
Task 3867 of 4096 (3,1,2,0,1,11) R1F-M0-N05-J05
Task 3868 of 4096 (3,1,2,0,1,12) R1F-M0-N05-J05
Task 3869 of 4096 (3,1,2,0,1,13) R1F-M0-N05-J05
Task 3870 of 4096 (3,1,2,0,1,14) R1F-M0-N05-J05
Task 3871 of 4096 (3,1,2,0,1,15) R1F-M0-N05-J05
Task 3872 of 4096 (3,1,2,1,0,0) R1F-M0-N05-J14
Task 3873 of 4096 (3,1,2,1,0,1) R1F-M0-N05-J14
Task 3874 of 4096 (3,1,2,1,0,2) R1F-M0-N05-J14
Task 3875 of 4096 (3,1,2,1,0,3) R1F-M0-N05-J14
Task 3876 of 4096 (3,1,2,1,0,4) R1F-M0-N05-J14
Task 3877 of 4096 (3,1,2,1,0,5) R1F-M0-N05-J14
Task 3878 of 4096 (3,1,2,1,0,6) R1F-M0-N05-J14
Task 3879 of 4096 (3,1,2,1,0,7) R1F-M0-N05-J14
Task 3880 of 4096 (3,1,2,1,0,8) R1F-M0-N05-J14
Task 3881 of 4096 (3,1,2,1,0,9) R1F-M0-N05-J14
Task 3882 of 4096 (3,1,2,1,0,10) R1F-M0-N05-J14
Task 3883 of 4096 (3,1,2,1,0,11) R1F-M0-N05-J14
Task 3884 of 4096 (3,1,2,1,0,12) R1F-M0-N05-J14
Task 3885 of 4096 (3,1,2,1,0,13) R1F-M0-N05-J14
Task 3886 of 4096 (3,1,2,1,0,14) R1F-M0-N05-J14
Task 3887 of 4096 (3,1,2,1,0,15) R1F-M0-N05-J14
Task 3888 of 4096 (3,1,2,1,1,0) R1F-M0-N05-J09
Task 3889 of 4096 (3,1,2,1,1,1) R1F-M0-N05-J09
Task 3890 of 4096 (3,1,2,1,1,2) R1F-M0-N05-J09
Task 3891 of 4096 (3,1,2,1,1,3) R1F-M0-N05-J09
Task 3892 of 4096 (3,1,2,1,1,4) R1F-M0-N05-J09
Task 3893 of 4096 (3,1,2,1,1,5) R1F-M0-N05-J09
Task 3894 of 4096 (3,1,2,1,1,6) R1F-M0-N05-J09
Task 3895 of 4096 (3,1,2,1,1,7) R1F-M0-N05-J09
Task 3896 of 4096 (3,1,2,1,1,8) R1F-M0-N05-J09
Task 3897 of 4096 (3,1,2,1,1,9) R1F-M0-N05-J09
Task 3898 of 4096 (3,1,2,1,1,10) R1F-M0-N05-J09
Task 3899 of 4096 (3,1,2,1,1,11) R1F-M0-N05-J09
Task 3900 of 4096 (3,1,2,1,1,12) R1F-M0-N05-J09
Task 3901 of 4096 (3,1,2,1,1,13) R1F-M0-N05-J09
Task 3902 of 4096 (3,1,2,1,1,14) R1F-M0-N05-J09
Task 3903 of 4096 (3,1,2,1,1,15) R1F-M0-N05-J09
Task 3904 of 4096 (3,1,2,2,0,0) R1F-M0-N07-J14
Task 3905 of 4096 (3,1,2,2,0,1) R1F-M0-N07-J14
Task 3906 of 4096 (3,1,2,2,0,2) R1F-M0-N07-J14
Task 3907 of 4096 (3,1,2,2,0,3) R1F-M0-N07-J14
Task 3908 of 4096 (3,1,2,2,0,4) R1F-M0-N07-J14
Task 3909 of 4096 (3,1,2,2,0,5) R1F-M0-N07-J14
Task 3910 of 4096 (3,1,2,2,0,6) R1F-M0-N07-J14
Task 3911 of 4096 (3,1,2,2,0,7) R1F-M0-N07-J14
Task 3912 of 4096 (3,1,2,2,0,8) R1F-M0-N07-J14
Task 3913 of 4096 (3,1,2,2,0,9) R1F-M0-N07-J14
Task 3914 of 4096 (3,1,2,2,0,10) R1F-M0-N07-J14
Task 3915 of 4096 (3,1,2,2,0,11) R1F-M0-N07-J14
Task 3916 of 4096 (3,1,2,2,0,12) R1F-M0-N07-J14
Task 3917 of 4096 (3,1,2,2,0,13) R1F-M0-N07-J14
Task 3918 of 4096 (3,1,2,2,0,14) R1F-M0-N07-J14
Task 3919 of 4096 (3,1,2,2,0,15) R1F-M0-N07-J14
Task 3920 of 4096 (3,1,2,2,1,0) R1F-M0-N07-J09
Task 3921 of 4096 (3,1,2,2,1,1) R1F-M0-N07-J09
Task 3922 of 4096 (3,1,2,2,1,2) R1F-M0-N07-J09
Task 3923 of 4096 (3,1,2,2,1,3) R1F-M0-N07-J09
Task 3924 of 4096 (3,1,2,2,1,4) R1F-M0-N07-J09
Task 3925 of 4096 (3,1,2,2,1,5) R1F-M0-N07-J09
Task 3926 of 4096 (3,1,2,2,1,6) R1F-M0-N07-J09
Task 3927 of 4096 (3,1,2,2,1,7) R1F-M0-N07-J09
Task 3928 of 4096 (3,1,2,2,1,8) R1F-M0-N07-J09
Task 3929 of 4096 (3,1,2,2,1,9) R1F-M0-N07-J09
Task 3930 of 4096 (3,1,2,2,1,10) R1F-M0-N07-J09
Task 3931 of 4096 (3,1,2,2,1,11) R1F-M0-N07-J09
Task 3932 of 4096 (3,1,2,2,1,12) R1F-M0-N07-J09
Task 3933 of 4096 (3,1,2,2,1,13) R1F-M0-N07-J09
Task 3934 of 4096 (3,1,2,2,1,14) R1F-M0-N07-J09
Task 3935 of 4096 (3,1,2,2,1,15) R1F-M0-N07-J09
Task 3936 of 4096 (3,1,2,3,0,0) R1F-M0-N07-J02
Task 3937 of 4096 (3,1,2,3,0,1) R1F-M0-N07-J02
Task 3938 of 4096 (3,1,2,3,0,2) R1F-M0-N07-J02
Task 3939 of 4096 (3,1,2,3,0,3) R1F-M0-N07-J02
Task 3940 of 4096 (3,1,2,3,0,4) R1F-M0-N07-J02
Task 3941 of 4096 (3,1,2,3,0,5) R1F-M0-N07-J02
Task 3942 of 4096 (3,1,2,3,0,6) R1F-M0-N07-J02
Task 3943 of 4096 (3,1,2,3,0,7) R1F-M0-N07-J02
Task 3944 of 4096 (3,1,2,3,0,8) R1F-M0-N07-J02
Task 3945 of 4096 (3,1,2,3,0,9) R1F-M0-N07-J02
Task 3946 of 4096 (3,1,2,3,0,10) R1F-M0-N07-J02
Task 3947 of 4096 (3,1,2,3,0,11) R1F-M0-N07-J02
Task 3948 of 4096 (3,1,2,3,0,12) R1F-M0-N07-J02
Task 3949 of 4096 (3,1,2,3,0,13) R1F-M0-N07-J02
Task 3950 of 4096 (3,1,2,3,0,14) R1F-M0-N07-J02
Task 3951 of 4096 (3,1,2,3,0,15) R1F-M0-N07-J02
Task 3952 of 4096 (3,1,2,3,1,0) R1F-M0-N07-J05
Task 3953 of 4096 (3,1,2,3,1,1) R1F-M0-N07-J05
Task 3954 of 4096 (3,1,2,3,1,2) R1F-M0-N07-J05
Task 3955 of 4096 (3,1,2,3,1,3) R1F-M0-N07-J05
Task 3956 of 4096 (3,1,2,3,1,4) R1F-M0-N07-J05
Task 3957 of 4096 (3,1,2,3,1,5) R1F-M0-N07-J05
Task 3958 of 4096 (3,1,2,3,1,6) R1F-M0-N07-J05
Task 3959 of 4096 (3,1,2,3,1,7) R1F-M0-N07-J05
Task 3960 of 4096 (3,1,2,3,1,8) R1F-M0-N07-J05
Task 3961 of 4096 (3,1,2,3,1,9) R1F-M0-N07-J05
Task 3962 of 4096 (3,1,2,3,1,10) R1F-M0-N07-J05
Task 3963 of 4096 (3,1,2,3,1,11) R1F-M0-N07-J05
Task 3964 of 4096 (3,1,2,3,1,12) R1F-M0-N07-J05
Task 3965 of 4096 (3,1,2,3,1,13) R1F-M0-N07-J05
Task 3966 of 4096 (3,1,2,3,1,14) R1F-M0-N07-J05
Task 3967 of 4096 (3,1,2,3,1,15) R1F-M0-N07-J05
Task 3968 of 4096 (3,1,3,0,0,0) R1F-M0-N05-J03
Task 3969 of 4096 (3,1,3,0,0,1) R1F-M0-N05-J03
Task 3970 of 4096 (3,1,3,0,0,2) R1F-M0-N05-J03
Task 3971 of 4096 (3,1,3,0,0,3) R1F-M0-N05-J03
Task 3972 of 4096 (3,1,3,0,0,4) R1F-M0-N05-J03
Task 3973 of 4096 (3,1,3,0,0,5) R1F-M0-N05-J03
Task 3974 of 4096 (3,1,3,0,0,6) R1F-M0-N05-J03
Task 3975 of 4096 (3,1,3,0,0,7) R1F-M0-N05-J03
Task 3976 of 4096 (3,1,3,0,0,8) R1F-M0-N05-J03
Task 3977 of 4096 (3,1,3,0,0,9) R1F-M0-N05-J03
Task 3978 of 4096 (3,1,3,0,0,10) R1F-M0-N05-J03
Task 3979 of 4096 (3,1,3,0,0,11) R1F-M0-N05-J03
Task 3980 of 4096 (3,1,3,0,0,12) R1F-M0-N05-J03
Task 3981 of 4096 (3,1,3,0,0,13) R1F-M0-N05-J03
Task 3982 of 4096 (3,1,3,0,0,14) R1F-M0-N05-J03
Task 3983 of 4096 (3,1,3,0,0,15) R1F-M0-N05-J03
Task 3984 of 4096 (3,1,3,0,1,0) R1F-M0-N05-J04
Task 3985 of 4096 (3,1,3,0,1,1) R1F-M0-N05-J04
Task 3986 of 4096 (3,1,3,0,1,2) R1F-M0-N05-J04
Task 3987 of 4096 (3,1,3,0,1,3) R1F-M0-N05-J04
Task 3988 of 4096 (3,1,3,0,1,4) R1F-M0-N05-J04
Task 3989 of 4096 (3,1,3,0,1,5) R1F-M0-N05-J04
Task 3990 of 4096 (3,1,3,0,1,6) R1F-M0-N05-J04
Task 3991 of 4096 (3,1,3,0,1,7) R1F-M0-N05-J04
Task 3992 of 4096 (3,1,3,0,1,8) R1F-M0-N05-J04
Task 3993 of 4096 (3,1,3,0,1,9) R1F-M0-N05-J04
Task 3994 of 4096 (3,1,3,0,1,10) R1F-M0-N05-J04
Task 3995 of 4096 (3,1,3,0,1,11) R1F-M0-N05-J04
Task 3996 of 4096 (3,1,3,0,1,12) R1F-M0-N05-J04
Task 3997 of 4096 (3,1,3,0,1,13) R1F-M0-N05-J04
Task 3998 of 4096 (3,1,3,0,1,14) R1F-M0-N05-J04
Task 3999 of 4096 (3,1,3,0,1,15) R1F-M0-N05-J04
Task 4000 of 4096 (3,1,3,1,0,0) R1F-M0-N05-J15
Task 4001 of 4096 (3,1,3,1,0,1) R1F-M0-N05-J15
Task 4002 of 4096 (3,1,3,1,0,2) R1F-M0-N05-J15
Task 4003 of 4096 (3,1,3,1,0,3) R1F-M0-N05-J15
Task 4004 of 4096 (3,1,3,1,0,4) R1F-M0-N05-J15
Task 4005 of 4096 (3,1,3,1,0,5) R1F-M0-N05-J15
Task 4006 of 4096 (3,1,3,1,0,6) R1F-M0-N05-J15
Task 4007 of 4096 (3,1,3,1,0,7) R1F-M0-N05-J15
Task 4008 of 4096 (3,1,3,1,0,8) R1F-M0-N05-J15
Task 4009 of 4096 (3,1,3,1,0,9) R1F-M0-N05-J15
Task 4010 of 4096 (3,1,3,1,0,10) R1F-M0-N05-J15
Task 4011 of 4096 (3,1,3,1,0,11) R1F-M0-N05-J15
Task 4012 of 4096 (3,1,3,1,0,12) R1F-M0-N05-J15
Task 4013 of 4096 (3,1,3,1,0,13) R1F-M0-N05-J15
Task 4014 of 4096 (3,1,3,1,0,14) R1F-M0-N05-J15
Task 4015 of 4096 (3,1,3,1,0,15) R1F-M0-N05-J15
Task 4016 of 4096 (3,1,3,1,1,0) R1F-M0-N05-J08
Task 4017 of 4096 (3,1,3,1,1,1) R1F-M0-N05-J08
Task 4018 of 4096 (3,1,3,1,1,2) R1F-M0-N05-J08
Task 4019 of 4096 (3,1,3,1,1,3) R1F-M0-N05-J08
Task 4020 of 4096 (3,1,3,1,1,4) R1F-M0-N05-J08
Task 4021 of 4096 (3,1,3,1,1,5) R1F-M0-N05-J08
Task 4022 of 4096 (3,1,3,1,1,6) R1F-M0-N05-J08
Task 4023 of 4096 (3,1,3,1,1,7) R1F-M0-N05-J08
Task 4024 of 4096 (3,1,3,1,1,8) R1F-M0-N05-J08
Task 4025 of 4096 (3,1,3,1,1,9) R1F-M0-N05-J08
Task 4026 of 4096 (3,1,3,1,1,10) R1F-M0-N05-J08
Task 4027 of 4096 (3,1,3,1,1,11) R1F-M0-N05-J08
Task 4028 of 4096 (3,1,3,1,1,12) R1F-M0-N05-J08
Task 4029 of 4096 (3,1,3,1,1,13) R1F-M0-N05-J08
Task 4030 of 4096 (3,1,3,1,1,14) R1F-M0-N05-J08
Task 4031 of 4096 (3,1,3,1,1,15) R1F-M0-N05-J08
Task 4032 of 4096 (3,1,3,2,0,0) R1F-M0-N07-J15
Task 4033 of 4096 (3,1,3,2,0,1) R1F-M0-N07-J15
Task 4034 of 4096 (3,1,3,2,0,2) R1F-M0-N07-J15
Task 4035 of 4096 (3,1,3,2,0,3) R1F-M0-N07-J15
Task 4036 of 4096 (3,1,3,2,0,4) R1F-M0-N07-J15
Task 4037 of 4096 (3,1,3,2,0,5) R1F-M0-N07-J15
Task 4038 of 4096 (3,1,3,2,0,6) R1F-M0-N07-J15
Task 4039 of 4096 (3,1,3,2,0,7) R1F-M0-N07-J15
Task 4040 of 4096 (3,1,3,2,0,8) R1F-M0-N07-J15
Task 4041 of 4096 (3,1,3,2,0,9) R1F-M0-N07-J15
Task 4042 of 4096 (3,1,3,2,0,10) R1F-M0-N07-J15
Task 4043 of 4096 (3,1,3,2,0,11) R1F-M0-N07-J15
Task 4044 of 4096 (3,1,3,2,0,12) R1F-M0-N07-J15
Task 4045 of 4096 (3,1,3,2,0,13) R1F-M0-N07-J15
Task 4046 of 4096 (3,1,3,2,0,14) R1F-M0-N07-J15
Task 4047 of 4096 (3,1,3,2,0,15) R1F-M0-N07-J15
Task 4048 of 4096 (3,1,3,2,1,0) R1F-M0-N07-J08
Task 4049 of 4096 (3,1,3,2,1,1) R1F-M0-N07-J08
Task 4050 of 4096 (3,1,3,2,1,2) R1F-M0-N07-J08
Task 4051 of 4096 (3,1,3,2,1,3) R1F-M0-N07-J08
Task 4052 of 4096 (3,1,3,2,1,4) R1F-M0-N07-J08
Task 4053 of 4096 (3,1,3,2,1,5) R1F-M0-N07-J08
Task 4054 of 4096 (3,1,3,2,1,6) R1F-M0-N07-J08
Task 4055 of 4096 (3,1,3,2,1,7) R1F-M0-N07-J08
Task 4056 of 4096 (3,1,3,2,1,8) R1F-M0-N07-J08
Task 4057 of 4096 (3,1,3,2,1,9) R1F-M0-N07-J08
Task 4058 of 4096 (3,1,3,2,1,10) R1F-M0-N07-J08
Task 4059 of 4096 (3,1,3,2,1,11) R1F-M0-N07-J08
Task 4060 of 4096 (3,1,3,2,1,12) R1F-M0-N07-J08
Task 4061 of 4096 (3,1,3,2,1,13) R1F-M0-N07-J08
Task 4062 of 4096 (3,1,3,2,1,14) R1F-M0-N07-J08
Task 4063 of 4096 (3,1,3,2,1,15) R1F-M0-N07-J08
Task 4064 of 4096 (3,1,3,3,0,0) R1F-M0-N07-J03
Task 4065 of 4096 (3,1,3,3,0,1) R1F-M0-N07-J03
Task 4066 of 4096 (3,1,3,3,0,2) R1F-M0-N07-J03
Task 4067 of 4096 (3,1,3,3,0,3) R1F-M0-N07-J03
Task 4068 of 4096 (3,1,3,3,0,4) R1F-M0-N07-J03
Task 4069 of 4096 (3,1,3,3,0,5) R1F-M0-N07-J03
Task 4070 of 4096 (3,1,3,3,0,6) R1F-M0-N07-J03
Task 4071 of 4096 (3,1,3,3,0,7) R1F-M0-N07-J03
Task 4072 of 4096 (3,1,3,3,0,8) R1F-M0-N07-J03
Task 4073 of 4096 (3,1,3,3,0,9) R1F-M0-N07-J03
Task 4074 of 4096 (3,1,3,3,0,10) R1F-M0-N07-J03
Task 4075 of 4096 (3,1,3,3,0,11) R1F-M0-N07-J03
Task 4076 of 4096 (3,1,3,3,0,12) R1F-M0-N07-J03
Task 4077 of 4096 (3,1,3,3,0,13) R1F-M0-N07-J03
Task 4078 of 4096 (3,1,3,3,0,14) R1F-M0-N07-J03
Task 4079 of 4096 (3,1,3,3,0,15) R1F-M0-N07-J03
Task 4080 of 4096 (3,1,3,3,1,0) R1F-M0-N07-J04
Task 4081 of 4096 (3,1,3,3,1,1) R1F-M0-N07-J04
Task 4082 of 4096 (3,1,3,3,1,2) R1F-M0-N07-J04
Task 4083 of 4096 (3,1,3,3,1,3) R1F-M0-N07-J04
Task 4084 of 4096 (3,1,3,3,1,4) R1F-M0-N07-J04
Task 4085 of 4096 (3,1,3,3,1,5) R1F-M0-N07-J04
Task 4086 of 4096 (3,1,3,3,1,6) R1F-M0-N07-J04
Task 4087 of 4096 (3,1,3,3,1,7) R1F-M0-N07-J04
Task 4088 of 4096 (3,1,3,3,1,8) R1F-M0-N07-J04
Task 4089 of 4096 (3,1,3,3,1,9) R1F-M0-N07-J04
Task 4090 of 4096 (3,1,3,3,1,10) R1F-M0-N07-J04
Task 4091 of 4096 (3,1,3,3,1,11) R1F-M0-N07-J04
Task 4092 of 4096 (3,1,3,3,1,12) R1F-M0-N07-J04
Task 4093 of 4096 (3,1,3,3,1,13) R1F-M0-N07-J04
Task 4094 of 4096 (3,1,3,3,1,14) R1F-M0-N07-J04
Task 4095 of 4096 (3,1,3,3,1,15) R1F-M0-N07-J04
[qbox] set nrowmax 256
[qbox] load md173.xml
LoadCmd: loading from md173.xml
SampleReader: reading from file md173.xml size: 1595163516
XMLGFPreprocessor: read time: 1.537
XMLGFPreprocessor: local read rate: 0.2416 MB/s aggregate read rate: 989.4 MB/s
XMLGFPreprocessor: tag fixing time: 0.02277
XMLGFPreprocessor: segment definition time: 7.008
XMLGFPreprocessor: boundary adjustment time: 1.707
XMLGFPreprocessor: transcoding time: 0.004943
XMLGFPreprocessor: byte swapping time: 0.000576
XMLGFPreprocessor: data redistribution time: 0.129
XMLGFPreprocessor: XML compacting time: 0.01537
XMLGFPreprocessor: total time: 10.54
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: 12.750167 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: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1351433207
ExchangeOperator: bisection time: 1.396 s
total exchange = -52.3509734428 (a.u.)
total exchange computation time: 2.6991710663 s
678.54377984
-1083.22700862
89.84940076
-389.43688266
-174.76088771
77.98593190
551.60419304
0.00000000
-931.38257182
-10.74844202 -4.23028794 6.76276963
-0.00034489 0.00003908 -0.00017190
-0.01332168 0.01406772 -0.02146831
-14.21407819 3.47145368 9.51851118
0.00014801 -0.00001817 -0.00021763
-0.01298305 0.03578897 0.02409730
-15.95570093 1.23749182 3.55592032
-0.00031974 0.00006913 -0.00010791
0.02175600 -0.01311684 0.00852152
2.32772574 -19.77525577 12.83628230
0.00035589 -0.00004982 0.00010915
0.01500926 -0.01399604 0.00825905
9.52439332 20.46186924 0.70767959
-0.00002810 -0.00020645 0.00056750
0.01300605 0.00715600 -0.01087670
-11.60246328 12.78854013 15.07163391
-0.00068945 -0.00032083 0.00003750
0.02052704 -0.00844627 0.00518987
-6.41432240 1.60163974 -12.05721072
0.00015452 -0.00003027 -0.00027313
0.00323198 -0.03155353 0.01463314
-7.42773053 7.81252493 -5.90093364
0.00002468 0.00001143 0.00008084
0.00654994 -0.01589902 0.00456722
-7.58151969 -4.59039209 17.95691850
-0.00021499 0.00037021 -0.00014754
-0.01059528 0.00432963 0.00711060
-23.36931845 -4.71817665 -22.45508654
-0.00015279 -0.00043044 -0.00007427
-0.00629521 -0.02359497 0.02086677
6.64525784 12.78046252 6.03422792
-0.00003248 0.00008096 0.00010200
0.01652641 -0.02866683 0.01512471
24.63275480 30.29402591 -2.71797188
0.00001186 0.00023470 -0.00039682
0.00872909 0.00287615 0.01724010
7.89858288 -1.32102935 -14.22776927
0.00004010 0.00001823 -0.00044779
0.00913982 0.00071139 -0.03243321
-7.06198206 -0.87047477 14.27597620
-0.00022548 -0.00004510 0.00004550
-0.02167018 -0.02888689 0.05161082
-1.98133927 -26.18625036 11.30068443
0.00000132 -0.00012561 0.00002939
-0.00576711 0.00567743 -0.02668748
-14.33711637 -4.69135523 -7.13210092
0.00023320 0.00010838 0.00017807
0.01330200 0.00949841 0.00634180
-19.96756683 -12.44107156 -17.90678428
-0.00016835 0.00000081 0.00004551
0.00414410 -0.00218823 0.01320150
22.57769051 3.63070835 3.14774325
0.00013237 -0.00017627 -0.00008801
0.00662038 0.01198970 -0.01736775
17.82473778 -9.94727283 -14.34399880
-0.00020591 -0.00019717 0.00001635
0.00655115 -0.01336309 0.02350267
-2.29154044 1.99133384 -7.30125399
0.00032307 -0.00025773 0.00022250
0.00870676 0.01098629 0.00585801
-4.03271347 -3.00067653 -15.63119006
-0.00025414 -0.00005960 -0.00005082
-0.00309349 -0.00196936 0.00144317
13.41920894 17.12066187 -20.34607438
0.00007185 0.00024684 0.00038058
0.00028059 0.01176531 -0.00584820
-16.68421443 16.03856046 -12.04635277
0.00045414 -0.00002773 -0.00008937
0.03646083 -0.01499879 -0.02399299
1.26213828 14.18504774 7.58276491
0.00061015 0.00005732 -0.00011280
-0.01985210 0.02730752 0.01657008
-5.10398263 -9.57432854 2.01414745
-0.00038322 0.00008707 0.00002917
0.02164356 -0.01313958 0.01344676
3.12443450 -6.13359255 2.42588218
-0.00020644 -0.00031079 0.00021652
0.00657879 -0.04762495 -0.00290231
10.85279852 4.80159860 4.76819409
-0.00012513 0.00014607 -0.00041854
0.00559992 -0.00129263 -0.00446963
-8.56719370 -9.82274451 -2.43113447
0.00014047 0.00013481 -0.00042140
-0.02114458 0.05572628 -0.02561070
3.06244224 -15.92614783 -13.34764386
0.00004713 0.00002243 0.00012344
0.00635485 -0.05572437 0.06568272
4.85766518 -8.48461934 -5.87379799
0.00004281 0.00011101 0.00029166
-0.01316427 -0.03148341 0.05124856
18.51434155 0.63789613 24.92375268
0.00018816 0.00021685 -0.00027149
-0.01209155 0.00345835 -0.00258767
-7.95543454 3.17281321 0.96780805
-0.00034146 -0.00008966 0.00003961
0.00175708 0.00977623 0.00403007
-7.99461297 14.21657890 -10.73187939
0.00015721 -0.00006399 0.00041008
-0.01603116 -0.01403921 -0.04697516
1.63618485 11.36397787 -9.08980974
0.00020641 -0.00004890 0.00016838
-0.02308306 -0.02061039 -0.02488191
-11.94978810 9.82912519 -13.73599922
0.00020511 0.00026128 0.00002702
0.02612535 0.00192860 -0.05926779
7.40115603 4.18122581 14.68499951
-0.00031069 0.00000049 0.00024881
-0.00288445 0.00656747 -0.01946168
-14.58404852 9.53994940 -9.51649737
-0.00003347 -0.00028587 0.00030328
-0.02641345 -0.03597915 -0.02366578
8.49005865 8.47287319 -3.05213180
0.00032602 -0.00037135 -0.00020441
-0.04923965 -0.00439633 -0.00246228
13.59858320 -20.35325123 -25.76012809
0.00020105 -0.00001457 0.00019761
-0.01875556 -0.01626032 -0.04598332
6.29946646 6.37888081 2.75059889
0.00017308 0.00013605 0.00002307
-0.00995541 -0.00998298 0.01552989
19.30007584 -5.78011691 -6.33650146
-0.00005039 -0.00006350 -0.00035741
0.00709115 -0.00614207 0.02933784
-1.73955083 0.15076695 -2.36212631
0.00007766 -0.00012454 -0.00022074
-0.00505592 0.00045946 -0.02440460
2.46192808 -1.97241685 -12.50913976
-0.00024015 0.00020311 0.00017794
0.02870919 0.02615309 -0.01227125
20.76616603 9.26456124 -5.26290115
-0.00028910 0.00009816 -0.00001725
-0.00337298 -0.00272343 -0.00940797
-7.50763091 6.48872703 9.43054790
0.00014532 -0.00004221 -0.00010045
-0.00324878 0.00009811 0.05304147
-2.70966133 -14.61015436 11.76624256
0.00006941 0.00007679 -0.00044911
-0.01273643 -0.01084891 0.00902416
8.20394587 0.40380378 -4.94580429
-0.00022770 0.00031735 -0.00002402
-0.00588124 -0.00568238 0.03773401
0.00568301 -9.98221848 0.52687040
-0.00004216 -0.00005685 0.00000952
0.00156818 -0.01181648 0.00502827
-20.00003983 -1.57120910 4.71168663
-0.00011125 0.00010090 0.00007695
-0.01329536 0.03586076 -0.00763148
-4.79266739 7.64314576 -23.37595330
0.00023043 0.00001572 -0.00024633
0.00555649 0.00235769 0.00687709
2.59345013 2.55821639 -1.60252943
0.00003116 -0.00037731 0.00047902
-0.02750559 -0.05071624 -0.00473086
15.51213447 7.67846036 4.67773838
-0.00002021 -0.00018281 0.00001320
0.01935948 0.03190218 0.00543752
-9.38091170 -5.18817955 7.34670111
0.00051609 0.00073957 0.00044252
0.02016555 -0.01928953 0.01096142
-10.55668619 -4.13113196 4.90533527
-0.00045566 0.00105734 0.00030131
0.00247362 -0.00245260 0.01652220
-13.19202928 4.97393545 9.25998012
0.00035642 -0.00064335 -0.00047403
0.00049278 -0.00718183 -0.00790399
-13.45425393 2.10019020 8.67483272
-0.00008512 -0.00027254 0.00028849
0.01649631 -0.01675927 -0.01761810
-14.55606628 0.72506100 4.70614920
0.00040099 0.00087197 0.00047984
-0.02381748 0.00998292 -0.00571929
-17.29877980 -0.03439497 3.91334354
0.00100832 0.00066473 -0.00009627
0.00846668 0.00727574 0.00055585
2.20755888 -21.20778141 11.64000760
0.00068206 -0.00046707 -0.00057138
0.00578040 0.00676484 0.00864506
3.66217450 -20.25342168 14.07137827
-0.00121129 0.00030701 -0.00003501
-0.01542465 0.01088836 -0.01886010
8.73144508 18.81704405 0.48595145
0.00063925 -0.00011729 0.00043555
-0.00842504 0.00465739 0.00582340
8.52619608 21.68732356 1.66245226
0.00102507 0.00085651 0.00065012
-0.00951491 -0.01269049 -0.00508763
-10.33586287 12.48249504 16.42117789
-0.00056448 -0.00060580 -0.00027572
-0.01638489 0.00672699 -0.00712588
-12.57567091 14.28377114 15.45669731
0.00020429 -0.00079708 0.00068383
0.00312415 0.00590347 0.00385151
-5.99381786 0.16435517 -13.15389288
0.00080562 -0.00062062 -0.00034164
-0.00104542 0.01545138 0.00499666
-6.67902279 0.71268456 -10.33388433
0.00012290 -0.00038247 0.00039875
-0.00284259 0.01759756 -0.02951232
-6.67620385 6.54489617 -4.74633736
0.00000812 -0.00017746 -0.00035154
-0.01384079 0.01579542 -0.01413504
-9.22938949 7.59686073 -5.71175464
0.00063129 0.00048249 0.00044974
0.00124224 -0.00216847 0.00087215
-8.77432637 -3.47299544 18.83439547
0.00061522 -0.00024821 -0.00016917
0.01159090 -0.01422993 -0.00459993
-7.74447473 -6.29971596 18.66184553
0.00034268 0.00091304 -0.00050711
-0.00310727 0.00713464 -0.00015573
-23.34198500 -3.29197408 -23.53275813
0.00060866 -0.00002290 -0.00051132
-0.00319668 0.02454928 -0.00560665
-23.69775110 -4.15475373 -20.72521363
0.00084502 -0.00085632 0.00047851
0.00342176 0.00095562 -0.02011920
6.95591687 13.29860846 4.34098761
-0.00036834 -0.00054472 0.00025369
0.00263593 0.00816367 -0.01740834
8.03552367 11.51806267 6.38889184
0.00002322 0.00028020 -0.00079793
-0.01591451 0.01699867 0.00249313
24.41407443 28.62318801 -1.97211156
0.00006333 0.00001625 0.00025950
0.00316843 0.00699410 -0.00681442
23.82020374 31.51149527 -1.57386148
0.00003317 -0.00062910 -0.00093746
0.00543858 -0.00175122 0.00712336
9.24168225 -2.49426121 -13.83680750
0.00068660 0.00019537 -0.00103416
0.00684354 -0.00518677 -0.00496010
7.14156911 -0.74036423 -12.76610059
0.00120605 0.00059156 0.00017255
-0.01988918 0.00766734 0.03654281
-7.17737586 -0.31274254 16.09732288
-0.00114512 -0.00131291 -0.00007201
0.00768612 0.01247394 -0.02777814
-7.95582406 -2.50397070 14.59557934
-0.00081403 0.00141611 0.00008263
0.01565573 0.01705039 -0.01777045
-2.60288095 -26.89504147 12.86032764
0.00000591 0.00027967 0.00094512
0.00210297 -0.00527183 0.01392463
-3.35420493 -26.12670281 10.05460521
0.00072222 0.00047777 -0.00022668
0.01295009 0.00205578 0.00651783
-13.66165351 -3.05753585 -6.58531545
-0.00029689 0.00008490 0.00029906
-0.01016429 -0.00270376 -0.00012893
-14.99995537 -4.49243190 -8.81108177
-0.00008209 0.00023649 0.00026125
-0.00380977 -0.00359307 -0.00691390
-18.54337277 -11.73526548 -17.00463810
-0.00127648 -0.00099186 -0.00008289
0.00243185 0.02351206 0.01010358
-18.99008145 -13.89490107 -18.36398214
0.00078617 0.00026025 0.00087525
0.00246642 -0.01842030 -0.01591659
22.91142524 3.77357504 1.32814413
0.00102302 0.00048026 -0.00015886
-0.00224033 -0.02067028 0.00501838
23.25872378 5.25781828 3.56260357
-0.00023677 0.00005614 -0.00085638
-0.00114989 0.00407207 0.02296909
16.46672168 -9.22897313 -13.37134293
0.00053181 -0.00145257 -0.00026535
-0.00833351 -0.00131199 0.01163704
17.70278232 -9.14370575 -15.91225261
-0.00040531 -0.00120735 -0.00005799
-0.00013627 0.01283637 -0.03493975
-0.54105340 2.47832119 -7.80718829
-0.00013439 0.00071643 0.00023335
-0.01521402 -0.01305016 -0.00273740
-2.97348999 0.86992089 -8.56422889
0.00090669 -0.00098810 0.00142244
0.00403333 -0.00104528 -0.00090479
-5.65651375 -2.85387542 -16.44590454
0.00042058 -0.00058637 0.00025468
0.00058470 -0.00133247 -0.00198241
-2.94498507 -2.07738323 -16.78397350
-0.00011862 0.00018426 0.00014942
-0.00437067 0.00242802 0.00195271
12.94140544 18.59059510 -21.36211081
-0.00076303 -0.00055557 0.00035540
0.00684272 -0.00171151 0.01064294
11.89812641 16.14479655 -20.58997746
-0.00078860 0.00059611 0.00032634
-0.00742918 -0.01257008 -0.00102391
-15.17444758 15.44676450 -13.17776487
0.00005502 -0.00018594 -0.00073132
-0.05139980 0.01256938 0.02700744
-18.09474571 14.87554419 -12.45694110
0.00088823 0.00100692 -0.00045008
0.01519271 0.00670592 0.00180934
2.43326691 14.84059003 6.31671438
0.00077467 0.00128296 0.00059739
-0.01149035 0.00372859 0.00022168
0.07629351 15.53298072 8.27031826
0.00090176 0.00125232 0.00001543
0.02992559 -0.02489967 -0.02070588
-6.23787095 -8.30809203 1.50328638
0.00029762 -0.00130718 -0.00016661
-0.02215235 0.02054333 -0.00747359
-3.47988854 -8.96942656 1.37972577
0.00040409 -0.00015305 0.00072326
0.00357039 -0.01001913 0.00015147
2.73206715 -4.51680299 2.97719014
0.00012295 -0.00165580 -0.00118844
-0.00694486 0.04407243 0.01002832
4.65331363 -6.08896047 1.44367093
-0.00031721 0.00068799 -0.00042425
0.00660922 0.00032918 -0.00081712
9.51354924 5.87789428 4.10683709
0.00008249 -0.00037087 0.00074597
-0.00321398 -0.00241282 0.00200414
12.35686426 5.85811771 4.76115066
-0.00010972 0.00049309 -0.00037612
0.00172097 0.00368275 0.00505692
-7.70597471 -11.32617387 -2.18540404
-0.00046967 0.00059838 0.00054027
0.01828074 -0.04132994 0.01267926
-10.06086858 -9.52389123 -1.42929527
0.00065312 -0.00030443 0.00023761
0.00099565 -0.00858813 0.00670842
4.62495241 -16.99555557 -13.27468721
0.00082117 -0.00043262 -0.00127100
-0.01144991 0.02223812 -0.01936447
2.45867006 -16.86092790 -11.68685874
0.00103380 0.00017674 0.00058250
0.00335104 0.03385302 -0.04604803
5.91804323 -7.04196767 -5.86669773
0.00032320 0.00013118 -0.00086044
0.01180676 0.02652712 -0.00955068
4.98228267 -8.95129343 -4.03056481
-0.00031445 0.00013849 0.00081947
-0.00535109 0.00504611 -0.03508921
17.03201950 1.50919378 24.20948837
0.00027570 0.00062361 0.00046873
0.00182717 -0.00451234 0.00718103
19.45517159 2.01559926 25.67409090
-0.00060232 0.00094817 -0.00072514
0.00498199 0.00115480 -0.00372179
-9.35249793 2.95475743 2.09431906
-0.00106293 0.00017280 0.00019132
-0.01399028 -0.00721223 0.01491504
-7.77899803 4.99054062 1.10197850
-0.00079498 -0.00022000 -0.00029981
0.01369505 0.00043345 -0.00625678
-6.91707782 15.01892423 -9.63942320
0.00059022 -0.00071436 0.00012772
0.03497835 0.02326559 0.03577605
-9.41690154 13.74446739 -9.71190265
0.00069685 0.00069078 -0.00018724
-0.01536241 -0.00904950 0.00936365
0.17092634 11.03673076 -8.05666729
-0.00016841 0.00034478 -0.00022777
-0.00755177 -0.00714624 -0.00010228
2.47550603 12.46040611 -7.98886549
-0.00117882 0.00047071 0.00057543
0.03316739 0.02815780 0.01845296
-10.42749358 8.78486262 -13.77005668
-0.00034873 0.00034385 -0.00014280
-0.01016715 0.00443676 0.01021431
-12.84199025 9.80903382 -12.21788779
0.00099450 0.00018068 -0.00080021
-0.01472089 -0.00705068 0.04250934
7.23655587 5.98261536 14.76892389
-0.00026833 -0.00089484 -0.00031412
0.00193471 0.01002349 0.00529128
7.77274282 3.91046464 12.87617375
-0.00107341 0.00191693 -0.00016985
-0.00172082 -0.00708875 0.00768499
-14.04421822 10.51030610 -8.13830406
-0.00036014 0.00071375 0.00043316
0.01251097 0.02509951 0.02762825
-16.40458520 9.31629851 -9.41585130
0.00048631 0.00047385 -0.00013196
0.00509365 0.00896989 -0.00188707
9.20360122 9.73049135 -1.99082677
-0.00133373 0.00028855 0.00012442
0.00601557 0.01331797 0.00741754
6.62260659 8.91512460 -3.00781068
-0.00081618 0.00053732 -0.00117523
0.03854023 -0.01197277 -0.00332516
11.91614924 -20.55763565 -26.55785747
0.00077369 0.00011189 -0.00014449
0.01404223 0.00199482 0.00889406
13.27819811 -19.85330813 -24.06000431
-0.00057479 0.00055288 -0.00027538
0.00400141 0.00539432 0.02140795
5.98719961 4.54291688 2.99665250
-0.00083324 0.00169301 -0.00138176
0.00381643 0.00719697 -0.00197205
6.67854703 6.58851494 1.00681980
-0.00101199 0.00011386 -0.00051768
0.00271735 0.00095847 -0.01517498
20.43512787 -6.77361536 -5.21406034
-0.00007822 0.00060174 -0.00101070
-0.01865051 0.01501214 -0.01750761
18.18951427 -4.79895804 -5.20232989
-0.00077599 -0.00015642 0.00010226
0.00757069 -0.01192274 -0.00890106
-3.33185709 0.36666563 -1.51427200
-0.00063377 -0.00089359 0.00109260
0.00184905 0.00245947 0.00883976
-2.12721512 0.56444078 -4.15076623
0.00076804 0.00097963 -0.00020437
0.00374205 0.00019028 0.00327689
3.78557438 -3.22608938 -12.26076227
-0.00002544 -0.00104028 0.00082315
0.00415973 -0.01064744 -0.00070055
0.96300787 -2.64213571 -11.83341036
0.00016208 0.00087602 0.00099081
-0.03499710 -0.01918874 0.01619593
20.66539780 8.27155085 -6.83698379
-0.00061493 0.00046992 0.00121558
0.00041029 0.00604294 0.01486207
22.46942396 9.02280472 -4.48151711
-0.00096199 -0.00028513 0.00011236
-0.01605427 -0.01048180 -0.01713914
-7.41205825 4.65659474 9.12831108
-0.00058106 0.00032354 -0.00047212
0.00207557 0.00103767 0.00398772
-7.38327797 6.53160069 11.36140452
0.00065760 -0.00048926 0.00003838
-0.01099154 -0.00159594 -0.04668416
-3.02813578 -16.40585228 12.09221432
-0.00072193 0.00022150 -0.00023750
0.00799237 0.00802254 -0.00381676
-4.43664463 -13.96793263 11.82742251
0.00034514 -0.00033151 0.00014864
0.01383757 0.00404474 -0.00194218
7.87940425 0.13174586 -3.08847945
0.00074107 -0.00009965 -0.00078848
0.00731389 0.00751576 -0.03687440
7.60269289 2.12996395 -5.51496591
0.00011454 -0.00039081 -0.00017720
0.00933698 -0.01816800 0.00573517
0.82882430 -10.22999489 2.18032639
0.00073016 -0.00068024 -0.00036642
-0.00314779 -0.00758937 -0.01185361
0.70579376 -8.39707036 0.00749587
-0.00065339 -0.00007882 -0.00039229
-0.00063086 0.01482934 -0.00232207
-19.86803379 -1.65036488 6.58295729
0.00029461 0.00046166 0.00081254
-0.00102131 -0.00075355 -0.00110424
-20.63746175 0.18784564 4.33406640
-0.00044962 0.00082981 -0.00050434
0.00374375 -0.02706363 0.00566461
-3.56060174 7.84807042 -24.75943508
0.00004989 -0.00062664 -0.00177302
-0.00455856 0.01012515 0.01071261
-4.27067205 8.70358060 -21.94599501
-0.00092456 0.00052994 0.00050577
-0.00058496 -0.00656680 -0.01804919
3.15270501 0.78047860 -1.29275293
0.00037411 0.00019310 0.00040667
0.01127598 0.03231130 0.00171349
0.82019755 1.87464676 -1.99632686
0.00017826 0.00019054 -0.00056349
0.01453848 0.02118521 0.00167995
16.28633111 7.74459926 6.39003604
0.00039602 0.00013461 -0.00030981
-0.01642788 -0.00533981 -0.01723679
15.86480731 9.43172340 4.06848399
-0.00002308 -0.00152449 0.00076322
-0.00701763 -0.02426442 0.00302022
-0.32672563 -11.83569570 -13.50205448
-0.00008308 0.00007230 0.00022429
0.00502286 -0.00854569 0.00443168
-13.91867382 14.58592001 22.04931077
-0.00004097 -0.00008965 0.00013564
0.00318151 -0.00137413 0.00020296
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02715310
0.35541872
473.57762851
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1356192537
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3686379876 (a.u.)
total exchange computation time: 2.6728658676 s
-154.0840931891
-931.37751565
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1356192537
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3685194146 (a.u.)
total exchange computation time: 2.6718881130 s
-154.0853135046
Anderson extrapolation: theta=1.3878008939 (1.3878008939)
-931.37776784
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1356192537
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3682257941 (a.u.)
total exchange computation time: 2.6711130142 s
-154.0876897606
Anderson extrapolation: theta=0.0677269395 (0.0677269395)
-931.37793216
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1356192537
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3680993372 (a.u.)
total exchange computation time: 2.6725821495 s
-154.0884808550
Anderson extrapolation: theta=2.2093980749 (2.0000000000)
-931.37794260
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1356192537
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3678044173 (a.u.)
total exchange computation time: 2.6722497940 s
-154.0902513594
Anderson extrapolation: theta=0.3469462443 (0.3469462443)
-931.37795786
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1356192537
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3676892539 (a.u.)
total exchange computation time: 2.6721060276 s
-154.0908624078
Anderson extrapolation: theta=1.1697711116 (1.1697711116)
-931.37796253
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1356192537
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3675702312 (a.u.)
total exchange computation time: 2.6720271111 s
-154.0913973638
Anderson extrapolation: theta=0.4402891802 (0.4402891802)
-931.37796722
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1356192537
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3675384272 (a.u.)
total exchange computation time: 2.6718428135 s
-154.0914413148
Anderson extrapolation: theta=0.8868647390 (0.8868647390)
-931.37796914
-164.544649 49.504849 -205.077779
-134.128602 458.546771 -797.787267
-298.673251 508.051620 -1002.865046
1163.211271
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1356192537
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3675280806 (a.u.)
total exchange computation time: 2.6724770069 s
678.79560732
-1083.78598731
89.83927623
-389.05461677
-174.80472202
78.29819088
551.60419304
0.00000000
-931.37797063
-10.75366677 -4.22964742 6.76010831
-0.00035093 0.00004557 -0.00018159
-0.01017541 0.01115385 -0.01620808
-14.21190808 3.47131924 9.51533971
0.00014090 -0.00000011 -0.00020519
-0.01468138 0.03441317 0.02427685
-15.96041312 1.23847824 3.55433453
-0.00030619 0.00006368 -0.00010331
0.03095007 -0.00810180 0.00938631
2.33312196 -19.77605704 12.83795141
0.00036191 -0.00005725 0.00011119
0.00839183 -0.01490825 -0.00034142
9.52402193 20.45880004 0.71615011
-0.00002089 -0.00020189 0.00056195
0.01503751 0.01057221 -0.01070204
-11.61272586 12.78369514 15.07221650
-0.00067825 -0.00032614 0.00003989
0.02303336 -0.01220308 0.00407653
-6.41199214 1.60106394 -12.06125130
0.00015630 -0.00004768 -0.00026548
0.00369286 -0.03613846 0.01513320
-7.42733509 7.81263499 -5.89970342
0.00002917 0.00000353 0.00008284
0.01090529 -0.01479697 0.00319602
-7.58478548 -4.58482218 17.95473276
-0.00021921 0.00037246 -0.00014513
-0.00578101 0.00441851 0.00228340
-23.37163462 -4.72472421 -22.45612016
-0.00015603 -0.00044156 -0.00006420
-0.00629000 -0.01965313 0.01831008
6.64483434 12.78156632 6.03581629
-0.00002414 0.00006621 0.00011023
0.01590021 -0.02866882 0.01685737
24.63296633 30.29755754 -2.72385773
0.00001683 0.00023429 -0.00038847
0.01062143 -0.00449703 0.01524345
7.89921969 -1.32075313 -14.23461122
0.00004462 0.00001861 -0.00046371
0.00840813 0.00075891 -0.02947747
-7.06544782 -0.87126264 14.27685772
-0.00023609 -0.00005890 0.00007148
-0.01960012 -0.02479482 0.04942195
-1.98134177 -26.18811268 11.30102238
-0.00000128 -0.00012305 0.00001712
-0.00432693 0.00429607 -0.02103256
-14.33356704 -4.68969285 -7.12940544
0.00023980 0.00011298 0.00018105
0.01234810 0.00839528 0.00525837
-19.97007611 -12.44106791 -17.90605063
-0.00016772 -0.00000168 0.00005102
-0.00168802 -0.00749183 0.00820315
22.57970164 3.62811051 3.14635604
0.00013591 -0.00016997 -0.00009755
0.00712008 0.01251277 -0.01970359
17.82167433 -9.95028197 -14.34366293
-0.00020060 -0.00020538 0.00002781
0.01412834 -0.01856869 0.02108331
-2.28666086 1.98751026 -7.29789393
0.00032769 -0.00025132 0.00022653
0.00926698 0.01395557 0.00983555
-4.03653744 -3.00157816 -15.63194686
-0.00025421 -0.00006063 -0.00004942
0.00281628 -0.00203487 0.00401404
13.42028784 17.12440980 -20.34038820
0.00007102 0.00025171 0.00037765
-0.00354099 0.00718725 -0.00554979
-16.67726163 16.03808669 -12.04778591
0.00047385 -0.00003453 -0.00010151
0.04015577 -0.01146356 -0.02320197
1.27121389 14.18601293 7.58113690
0.00059952 0.00007241 -0.00010415
-0.02146581 0.03134095 0.01706728
-5.10964746 -9.57307318 2.01463686
-0.00036940 0.00007813 0.00003690
0.03209259 -0.02162025 0.01662698
3.12136326 -6.13843813 2.42911879
-0.00020132 -0.00033898 0.00021335
0.01332404 -0.06197478 -0.00941495
10.85094324 4.80378469 4.76189880
-0.00012074 0.00014473 -0.00042023
0.01146102 -0.00393169 -0.00211858
-8.56516816 -9.82050745 -2.43755425
0.00012913 0.00016413 -0.00043468
-0.02294919 0.05828831 -0.02604977
3.06317363 -15.92602637 -13.34553896
0.00005156 -0.00000672 0.00015698
0.01090345 -0.05760299 0.06475005
4.85825653 -8.48307561 -5.86922546
0.00003615 0.00009498 0.00031838
-0.01271568 -0.03086904 0.05268836
18.51711724 0.64116217 24.91967029
0.00018198 0.00021884 -0.00027270
-0.01193624 0.00428417 -0.00211346
-7.96054972 3.17150597 0.96841768
-0.00034168 -0.00008513 0.00004250
-0.00261217 0.00785878 0.00721578
-7.99231663 14.21556493 -10.72590932
0.00015019 -0.00007081 0.00038483
-0.01126905 -0.01248193 -0.05122603
1.63919199 11.36316485 -9.08738005
0.00019446 -0.00005942 0.00015583
-0.02341141 -0.02027953 -0.02392393
-11.94661072 9.83305189 -13.73582257
0.00021905 0.00026277 -0.00000550
0.02808227 0.00383412 -0.06720179
7.39648463 4.18125849 14.68865664
-0.00031196 0.00000248 0.00023818
-0.00208738 0.00116904 -0.02189223
-14.58465240 9.53552252 -9.51203940
-0.00004539 -0.00030343 0.00029224
-0.01996045 -0.03229870 -0.01927566
8.49475904 8.46728603 -3.05520746
0.00029905 -0.00037295 -0.00020556
-0.05564943 -0.00181899 -0.00200663
13.60152667 -20.35353255 -25.75734134
0.00019197 -0.00002293 0.00017406
-0.01658727 -0.01624094 -0.04557541
6.30202422 6.38088313 2.75100482
0.00016840 0.00013323 0.00002980
-0.00823486 -0.00099350 0.01063387
19.29934731 -5.78109314 -6.34174948
-0.00004826 -0.00006538 -0.00034251
0.00121011 -0.00117223 0.02860426
-1.73840540 0.14890056 -2.36553153
0.00007343 -0.00012407 -0.00023214
-0.01138862 0.00138948 -0.01992420
2.45843656 -1.96926934 -12.50651802
-0.00022359 0.00021524 0.00017183
0.03568417 0.02103719 -0.01149489
20.76181645 9.26602312 -5.26319626
-0.00029145 0.00009789 -0.00002050
-0.00575536 0.00166374 -0.00323212
-7.50546370 6.48809427 9.42924580
0.00014363 -0.00004168 -0.00007299
-0.00329554 0.00196287 0.05371060
-2.70866932 -14.60904431 11.75954075
0.00006328 0.00007079 -0.00044437
-0.01111648 -0.01250643 0.00941005
8.20050773 0.40854208 -4.94601907
-0.00023002 0.00031351 -0.00000577
-0.00316812 -0.00925100 0.03324171
0.00505661 -9.98311685 0.52703267
-0.00004148 -0.00006324 0.00001224
0.00108574 -0.01302588 0.00551885
-20.00175984 -1.56955728 4.71281138
-0.00011845 0.00012021 0.00007384
-0.01471559 0.03924046 -0.00446255
-4.78918949 7.64339059 -23.37962170
0.00023398 0.00001719 -0.00024322
0.00822525 0.00336966 0.00520029
2.59381138 2.55236114 -1.59536238
0.00001704 -0.00040235 0.00047635
-0.02739885 -0.04665953 -0.00563811
15.51190601 7.67584131 4.67795733
-0.00001065 -0.00016852 0.00001673
0.01781193 0.02365381 0.00827838
-9.37255244 -5.17767710 7.35367481
0.00059050 0.00066705 0.00048251
0.01625930 -0.01620759 0.00861376
-10.56344529 -4.11534700 4.91036115
-0.00044380 0.00104653 0.00036309
0.00333064 -0.00284134 0.01372053
-13.18666790 4.96406513 9.25262751
0.00036144 -0.00066793 -0.00050669
0.00196694 -0.00485267 -0.00808343
-13.45502521 2.09558853 8.67862013
-0.00001733 -0.00034229 0.00021599
0.01668822 -0.01738386 -0.01786683
-14.55078125 0.73844649 4.71317158
0.00029712 0.00091396 0.00045147
-0.02702856 0.01057010 -0.00816955
-17.28339553 -0.02420112 3.91191660
0.00103076 0.00068297 -0.00009090
0.00251609 0.00165437 0.00206883
2.21796694 -21.21458016 11.63170177
0.00070618 -0.00043271 -0.00053021
0.00602655 0.01005338 0.01150716
3.64353246 -20.24848282 14.07027520
-0.00126096 0.00034646 -0.00010051
-0.00888620 0.00842259 -0.01320403
8.74077561 18.81542734 0.49266308
0.00060061 -0.00010165 0.00045988
-0.01048663 0.00299926 0.00608836
8.54128051 21.69978227 1.67204822
0.00098550 0.00080080 0.00062793
-0.00985282 -0.01457895 -0.00577834
-10.34483211 12.47361413 16.41682378
-0.00063009 -0.00057919 -0.00030382
-0.01573428 0.00630185 -0.00662959
-12.57251079 14.27199588 15.46707278
0.00021091 -0.00076418 0.00070137
0.00011401 0.01019805 0.00473402
-5.98176565 0.15551927 -13.15886433
0.00079931 -0.00055109 -0.00031625
-0.00203901 0.01858574 0.00742987
-6.67726642 0.70748681 -10.32880738
0.00011219 -0.00030765 0.00027240
-0.00239994 0.01902312 -0.03233684
-6.67650617 6.54271825 -4.75204363
-0.00004737 -0.00011444 -0.00040740
-0.01332381 0.01505605 -0.01320597
-9.21988202 7.60403157 -5.70498176
0.00062638 0.00047269 0.00045409
-0.00364747 -0.00262649 0.00125783
-8.76474292 -3.47715463 18.83171692
0.00065387 -0.00029791 -0.00018117
0.00732989 -0.01010101 -0.00127046
-7.73942973 -6.28580171 18.65423406
0.00032903 0.00093338 -0.00050412
-0.00357567 0.00282009 0.00162105
-23.33295299 -3.29156531 -23.54059975
0.00059540 0.00006910 -0.00052617
-0.00329775 0.02048403 -0.00166065
-23.68497096 -4.16756926 -20.71865248
0.00085930 -0.00085186 0.00039336
0.00357101 0.00122836 -0.02156145
6.95047259 13.29068776 4.34425958
-0.00035780 -0.00050855 0.00017669
0.00252226 0.00954314 -0.02028521
8.03538435 11.52278649 6.37699921
-0.00004025 0.00034743 -0.00078519
-0.01515708 0.01591290 0.00374502
24.41512141 28.62364602 -1.96842781
0.00007753 0.00005003 0.00022820
0.00378278 0.00954513 -0.00850739
23.82086795 31.50200508 -1.58770510
0.00005024 -0.00062708 -0.00090088
0.00291581 0.00274243 0.01078517
9.25219094 -2.49148958 -13.85247196
0.00071237 0.00017607 -0.00105507
0.00577100 -0.00426167 -0.00527108
7.15905046 -0.73125585 -12.76239250
0.00112802 0.00062061 0.00031701
-0.01830950 0.00654977 0.03416920
-7.19431706 -0.33205391 16.09539151
-0.00111096 -0.00125632 -0.00017992
0.00903186 0.01522406 -0.02504387
-7.96755474 -2.48220662 14.59627420
-0.00075618 0.00147185 0.00000834
0.01265934 0.01023580 -0.01859511
-2.60272781 -26.89100797 12.87493119
0.00001639 0.00026158 0.00099285
0.00302611 -0.00358558 0.00943683
-3.34297473 -26.11947330 10.05140472
0.00077013 0.00048547 -0.00020230
0.01049979 0.00171240 0.00541532
-13.66641827 -3.05634519 -6.58083351
-0.00033739 0.00007628 0.00029935
-0.00966179 -0.00151615 0.00027327
-15.00130347 -4.48899460 -8.80737489
-0.00009687 0.00022178 0.00023409
-0.00342409 -0.00361044 -0.00638089
-18.56244540 -11.74942287 -17.00557186
-0.00125234 -0.00088479 -0.00003012
0.00938221 0.02889918 0.01572921
-18.97821326 -13.89156172 -18.35134118
0.00079353 0.00018429 0.00080882
0.00113451 -0.01876210 -0.01659768
22.92670188 3.78014547 1.32591497
0.00101232 0.00039276 -0.00013637
-0.00299561 -0.02215811 0.00599032
23.25513693 5.25878523 3.55046169
-0.00024122 0.00007484 -0.00075972
-0.00102835 0.00507951 0.02434909
16.47444339 -9.25080182 -13.37496664
0.00048375 -0.00144985 -0.00020879
-0.01518890 0.00264329 0.01605181
17.69669845 -9.16142259 -15.91419314
-0.00040717 -0.00115217 -0.00020533
-0.00077106 0.01417368 -0.03718365
-0.54353539 2.48866768 -7.80377186
-0.00019433 0.00066261 0.00022078
-0.01413123 -0.01329159 -0.00341891
-2.95976602 0.85506740 -8.54292004
0.00092021 -0.00099785 0.00141172
0.00258234 -0.00372654 -0.00434152
-5.65018721 -2.86271173 -16.44214506
0.00041177 -0.00059082 0.00024067
-0.00489637 -0.00084717 -0.00487592
-2.94689829 -2.07454495 -16.78167234
-0.00013707 0.00019358 0.00015799
-0.00465889 0.00213615 0.00224049
12.93016968 18.58220912 -21.35645367
-0.00073456 -0.00055545 0.00039535
0.00709237 0.00176906 0.00891362
11.88606981 16.15335308 -20.58511374
-0.00081137 0.00054699 0.00032464
-0.00371885 -0.01147465 0.00019398
-15.17519727 15.44436057 -13.18790705
-0.00015347 -0.00013373 -0.00062049
-0.05065913 0.01298649 0.02724463
-18.08095664 14.89085348 -12.46363681
0.00094067 0.00102620 -0.00044431
0.01047368 0.00273388 0.00101438
2.44453484 14.85994867 6.32568203
0.00072801 0.00129564 0.00059805
-0.01135121 0.00248026 0.00010127
0.09073689 15.55100258 8.26991523
0.00102635 0.00114429 -0.00006995
0.03106537 -0.02798240 -0.02109029
-6.23408552 -8.32707017 1.50055820
0.00019173 -0.00120527 -0.00020502
-0.02968166 0.02934108 -0.01132719
-3.47371774 -8.97202938 1.39057935
0.00041321 -0.00019511 0.00072511
0.00089240 -0.01056912 0.00075291
2.73369855 -4.54028946 2.95967077
0.00008485 -0.00144364 -0.00113608
-0.01170623 0.05977958 0.01560599
4.64875801 -6.07863053 1.43728213
-0.00029404 0.00068697 -0.00042546
0.00473245 -0.00082891 0.00022545
9.51468817 5.87225728 4.11808801
0.00006030 -0.00037340 0.00074918
-0.00765116 0.00117606 -0.00042986
12.35527116 5.86562687 4.75566386
-0.00010514 0.00050601 -0.00035538
0.00052223 0.00264437 0.00509211
-7.71245954 -11.31846459 -2.17691142
-0.00038917 0.00042195 0.00059285
0.02112233 -0.04503322 0.01305621
-10.05104127 -9.52872090 -1.42552555
0.00065535 -0.00033737 0.00026521
0.00009661 -0.00753559 0.00680053
4.63691910 -17.00136349 -13.29434559
0.00076504 -0.00033677 -0.00134847
-0.01602675 0.02468492 -0.01855938
2.47427974 -16.85723945 -11.67953229
0.00104734 0.00031405 0.00039453
0.00327464 0.03336184 -0.04596553
5.92325308 -7.03918710 -5.87989705
0.00036908 0.00023546 -0.00089729
0.01064894 0.02451812 -0.00848659
4.97740191 -8.94906145 -4.01934799
-0.00033512 0.00016226 0.00067118
-0.00476371 0.00658780 -0.03750041
17.03621099 1.51840961 24.21673933
0.00027962 0.00060404 0.00049580
0.00008982 -0.00506472 0.00607105
19.44628938 2.02985724 25.66309978
-0.00057923 0.00095181 -0.00073904
0.00632197 0.00062740 -0.00308350
-9.36887061 2.95712843 2.09764584
-0.00111170 0.00014457 0.00024574
-0.00988413 -0.00660465 0.01172643
-7.79050306 4.98725383 1.09728962
-0.00073843 -0.00021517 -0.00032533
0.01398803 0.00193534 -0.00623724
-6.90715272 15.00892169 -9.63641117
0.00073469 -0.00061894 0.00027470
0.03574345 0.02344582 0.03617600
-9.40691959 13.75455183 -9.71442425
0.00062274 0.00065024 -0.00014133
-0.02091506 -0.01079859 0.01310919
0.16816874 11.04168341 -8.06008691
-0.00019971 0.00031430 -0.00022939
-0.00776736 -0.00777335 -0.00069333
2.45884006 12.46832953 -7.97966859
-0.00104223 0.00058602 0.00065009
0.03369416 0.02828910 0.01809480
-10.43303603 8.79015636 -13.77188575
-0.00038386 0.00035801 -0.00010135
-0.00703159 0.00249168 0.01008032
-12.82752387 9.81152792 -12.22858826
0.00092425 0.00015189 -0.00060980
-0.01966835 -0.00704250 0.05069724
7.23259015 5.96949987 14.76437427
-0.00026256 -0.00083736 -0.00028791
0.00089066 0.01811471 0.00753733
7.75658889 3.93900141 12.87386147
-0.00107966 0.00188314 -0.00013838
-0.00133844 -0.00945543 0.00772046
-14.04923698 10.52178154 -8.13096001
-0.00031205 0.00080968 0.00053631
0.01103236 0.02185513 0.02286277
-16.39713449 9.32368116 -9.41788859
0.00049713 0.00050880 -0.00013941
0.00020313 0.00813721 -0.00175714
9.18377962 9.73522774 -1.98873320
-0.00130776 0.00034267 0.00015473
0.00669579 0.01317375 0.00742182
6.61154490 8.92281748 -3.02554103
-0.00064688 0.00048361 -0.00118944
0.04433353 -0.01431925 -0.00363035
11.92818494 -20.55589621 -26.55975223
0.00082628 0.00011973 -0.00011084
0.01170010 0.00184254 0.00757738
13.26969881 -19.84484967 -24.06347903
-0.00055820 0.00057509 -0.00018616
0.00412085 0.00548014 0.02226545
5.97481801 4.56853264 2.97586571
-0.00082085 0.00170336 -0.00138486
0.00224779 -0.00213143 0.00045239
6.66345050 6.59025226 0.99858953
-0.00100139 0.00011923 -0.00057450
0.00246895 0.00166913 -0.01263493
20.43338306 -6.76412931 -5.22975732
-0.00014782 0.00065718 -0.00107543
-0.01541701 0.01212956 -0.01418002
18.17810647 -4.80166976 -5.20106875
-0.00073998 -0.00020910 0.00006084
0.01005242 -0.01386063 -0.01137256
-3.34130697 0.35333720 -1.49761206
-0.00061044 -0.00088505 0.00111783
0.00957106 0.00172165 0.00350708
-2.11557988 0.57914105 -4.15373135
0.00078044 0.00097971 -0.00018926
0.00232635 -0.00015174 0.00411938
3.78532017 -3.24201984 -12.24843654
-0.00001793 -0.00107278 0.00081749
-0.00048225 -0.00526414 -0.00206955
0.96436672 -2.62958342 -11.81805196
0.00001530 0.00079678 0.00105796
-0.03685417 -0.01959897 0.01667625
20.65618640 8.27878485 -6.81829474
-0.00061368 0.00048547 0.00126149
0.00020116 0.00156855 0.00761324
22.45450223 9.01820665 -4.48035690
-0.00102180 -0.00032799 0.00004447
-0.01322718 -0.01050234 -0.01609192
-7.42071049 4.66147970 9.12135145
-0.00057201 0.00032354 -0.00045664
0.00235150 -0.00104190 0.00359191
-7.37375075 6.52421285 11.36054963
0.00061202 -0.00049546 -0.00015305
-0.01131967 -0.00143573 -0.04701921
-3.03871985 -16.40228400 12.08853488
-0.00068711 0.00025340 -0.00025353
0.00905308 0.00759566 -0.00402914
-4.43104346 -13.97278137 11.82959263
0.00039604 -0.00031079 0.00014037
0.01107827 0.00610074 -0.00210619
7.89074440 0.13048135 -3.10143663
0.00076798 -0.00006925 -0.00092836
0.00585920 0.00736796 -0.03159697
7.60469716 2.12354515 -5.51744823
0.00014994 -0.00045844 -0.00015447
0.00798997 -0.01493962 0.00539267
0.83968027 -10.24043109 2.17446683
0.00071683 -0.00070967 -0.00041582
-0.00338042 -0.00681678 -0.01232768
0.69597358 -8.39779827 0.00154033
-0.00065515 -0.00001697 -0.00040134
-0.00023140 0.01544591 -0.00210807
-19.86364588 -1.64346301 6.59511160
0.00028902 0.00045945 0.00079830
-0.00171921 -0.00033094 -0.00586844
-20.64409140 0.19946342 4.32667492
-0.00043033 0.00071051 -0.00047819
0.00570004 -0.03133113 0.00713308
-3.55999303 7.83898103 -24.78570215
0.00002497 -0.00058353 -0.00171717
-0.00764180 0.01097966 0.01662547
-4.28455833 8.71132854 -21.93896157
-0.00092584 0.00049968 0.00042388
-0.00004118 -0.00824999 -0.02203382
3.15866225 0.78436519 -1.28660030
0.00042054 0.00031927 0.00041486
0.01145011 0.02944895 0.00229215
0.82331689 1.87815411 -2.00472772
0.00023725 0.00027500 -0.00055518
0.01433733 0.02015745 0.00238509
16.29176806 7.74645475 6.38486068
0.00032921 0.00011086 -0.00037749
-0.01627873 -0.00628414 -0.01589440
15.86424612 9.40811253 4.08002491
-0.00004922 -0.00160490 0.00076728
-0.00577757 -0.01509676 -0.00103324
-0.32795828 -11.83463421 -13.49867824
-0.00008126 0.00006928 0.00022587
0.00513008 -0.00829550 0.00437296
-13.91928285 14.58457291 22.05134565
-0.00004023 -0.00008996 0.00013569
0.00320239 -0.00132189 0.00023848
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02716423
0.35080639
467.43193066
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3868709872 (a.u.)
total exchange computation time: 2.7099549770 s
-154.1548616462
-931.37331117
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3865444146 (a.u.)
total exchange computation time: 2.7091138363 s
-154.1578419115
Anderson extrapolation: theta=1.4142581586 (1.4142581586)
-931.37357615
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3859656824 (a.u.)
total exchange computation time: 2.7089011669 s
-154.1626748130
Anderson extrapolation: theta=0.0754585155 (0.0754585155)
-931.37375364
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3858304063 (a.u.)
total exchange computation time: 2.7095518112 s
-154.1635827242
Anderson extrapolation: theta=2.2538641802 (2.0000000000)
-931.37376617
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3855330636 (a.u.)
total exchange computation time: 2.7091209888 s
-154.1654898360
Anderson extrapolation: theta=0.3625195158 (0.3625195158)
-931.37378452
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3854256611 (a.u.)
total exchange computation time: 2.7098119259 s
-154.1660938797
Anderson extrapolation: theta=1.0688792642 (1.0688792642)
-931.37379015
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3853336801 (a.u.)
total exchange computation time: 2.7085969448 s
-154.1665136400
Anderson extrapolation: theta=0.4978463444 (0.4978463444)
-931.37379529
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3853131973 (a.u.)
total exchange computation time: 2.7097229958 s
-154.1664993304
Anderson extrapolation: theta=0.8960364840 (0.8960364840)
-931.37379764
-164.500567 49.514633 -205.082388
-134.110833 458.585803 -797.818287
-298.611400 508.100436 -1002.900675
1163.247431
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3853147258 (a.u.)
total exchange computation time: 2.7109889984 s
679.05005906
-1084.35059317
89.82828381
-388.66759244
-174.84864200
78.61546912
551.60419304
0.00000000
-931.37379947
-10.75897002 -4.22892085 6.75732195
-0.00035516 0.00005043 -0.00018838
-0.00627764 0.00776100 -0.01019209
-14.20985122 3.47145028 9.51235552
0.00013304 0.00001694 -0.00019282
-0.01588014 0.03191660 0.02381977
-15.96488654 1.23940215 3.55282115
-0.00028796 0.00006100 -0.00009843
0.03991378 -0.00230776 0.00958421
2.33858292 -19.77697332 12.83961789
0.00036434 -0.00006496 0.00010869
0.00105560 -0.01508518 -0.00938465
9.52376656 20.45581240 0.72453806
-0.00001266 -0.00019560 0.00055649
0.01697686 0.01390185 -0.01054285
-11.62281074 12.77875601 15.07283053
-0.00066589 -0.00033329 0.00004160
0.02502466 -0.01560827 0.00259715
-6.40963339 1.60020934 -12.06517513
0.00015831 -0.00006721 -0.00025764
0.00412201 -0.03981429 0.01534397
-7.42685552 7.81263090 -5.89844854
0.00003580 -0.00000367 0.00008402
0.01489966 -0.01322173 0.00138903
-7.58809587 -4.57921818 17.95256463
-0.00022084 0.00037469 -0.00014531
-0.00056078 0.00425024 -0.00299843
-23.37399932 -4.73142340 -22.45701252
-0.00015921 -0.00045056 -0.00005566
-0.00608708 -0.01533889 0.01488172
6.64453351 12.78244895 6.03753470
-0.00001621 0.00005165 0.00011910
0.01495000 -0.02797296 0.01766777
24.63325980 30.30105447 -2.72962598
0.00002281 0.00023017 -0.00038122
0.01262010 -0.01148818 0.01295870
7.89992137 -1.32047105 -14.24168058
0.00004861 0.00001917 -0.00047772
0.00711394 0.00143047 -0.02500034
-7.06906479 -0.87224180 14.27812052
-0.00024548 -0.00007043 0.00009610
-0.01689941 -0.02001978 0.04634043
-1.98137764 -26.18994185 11.30119806
-0.00000305 -0.00012120 0.00000787
-0.00256322 0.00289965 -0.01495618
-14.32992246 -4.68796571 -7.12666940
0.00024586 0.00011698 0.00018339
0.01123641 0.00714003 0.00384151
-19.97259841 -12.44112205 -17.90525370
-0.00016997 -0.00000699 0.00005391
-0.00705512 -0.01313791 0.00302014
22.58176771 3.62560921 3.14481682
0.00013971 -0.00016334 -0.00010818
0.00766904 0.01326825 -0.02165739
17.81871987 -9.95343435 -14.34316441
-0.00019142 -0.00021602 0.00003765
0.02156155 -0.02278272 0.01717620
-2.28170980 1.98379434 -7.29445798
0.00033247 -0.00024342 0.00023255
0.00931954 0.01674691 0.01357658
-4.04033969 -3.00249550 -15.63267270
-0.00025124 -0.00006169 -0.00004669
0.00873087 -0.00208487 0.00659002
13.42133943 17.12821318 -20.33474484
0.00006822 0.00025418 0.00037491
-0.00733398 0.00241424 -0.00510694
-16.66999905 16.03752447 -12.04939805
0.00049533 -0.00003939 -0.00011305
0.04337783 -0.00740520 -0.02169462
1.28012390 14.18721990 7.57964055
0.00058827 0.00008940 -0.00009535
-0.02227737 0.03472706 0.01714530
-5.11506471 -9.57198461 2.01525455
-0.00035044 0.00006505 0.00004624
0.04164501 -0.02924237 0.01966360
3.11839481 -6.14376182 2.43228277
-0.00019283 -0.00037408 0.00020702
0.01971783 -0.07455038 -0.01519995
10.84917638 4.80594044 4.75558716
-0.00011332 0.00014203 -0.00042074
0.01738776 -0.00656842 0.00012254
-8.56331967 -9.81782072 -2.44417500
0.00011718 0.00019420 -0.00044809
-0.02353401 0.05865131 -0.02606608
3.06398914 -15.92634929 -13.34293454
0.00005824 -0.00003657 0.00018978
0.01506149 -0.05850322 0.06280190
4.85874979 -8.48177003 -5.86424646
0.00002989 0.00007957 0.00034556
-0.01163648 -0.02905938 0.05297598
18.51980084 0.64446126 24.91557160
0.00017594 0.00022126 -0.00027365
-0.01153577 0.00513925 -0.00157583
-7.96568505 3.17025935 0.96908298
-0.00034419 -0.00008158 0.00004705
-0.00712420 0.00592857 0.01047646
-7.99010722 14.21445466 -10.72033444
0.00014596 -0.00007655 0.00035790
-0.00520212 -0.00984822 -0.05350640
1.64201852 11.36219539 -9.08513493
0.00018255 -0.00006944 0.00014408
-0.02287498 -0.01868725 -0.02176368
-11.94321669 9.83700818 -13.73616436
0.00023362 0.00026529 -0.00004161
0.02858794 0.00598223 -0.07320988
7.39179712 4.18130018 14.69214487
-0.00031285 0.00000175 0.00022634
-0.00136033 -0.00399938 -0.02414609
-14.58541027 9.53084646 -9.50773013
-0.00005384 -0.00031890 0.00028368
-0.01287414 -0.02787174 -0.01400111
8.49903012 8.46168483 -3.05829860
0.00026923 -0.00037312 -0.00020638
-0.06029147 0.00115050 -0.00116498
13.60434217 -20.35393916 -25.75490620
0.00018407 -0.00003118 0.00015104
-0.01409718 -0.01583031 -0.04397253
6.30451845 6.38287778 2.75149279
0.00016470 0.00013522 0.00003387
-0.00613665 0.00873673 0.00521004
19.29862812 -5.78207840 -6.34677683
-0.00004921 -0.00006467 -0.00032825
-0.00490027 0.00394632 0.02684982
-1.73734782 0.14704489 -2.36909046
0.00006634 -0.00012315 -0.00024121
-0.01619069 0.00218174 -0.01535801
2.45522034 -1.96595953 -12.50398496
-0.00020394 0.00022464 0.00016630
0.04075034 0.01550335 -0.00999646
20.75742246 9.26749783 -5.26351630
-0.00029513 0.00010003 -0.00002052
-0.00856421 0.00667982 0.00319192
-7.50332191 6.48747665 9.42835807
0.00014192 -0.00004022 -0.00004550
-0.00337788 0.00369631 0.05322413
-2.70776308 -14.60803074 11.75291154
0.00005808 0.00006400 -0.00043948
-0.00909885 -0.01389880 0.00960779
8.19704515 0.41320900 -4.94597740
-0.00023089 0.00030779 0.00000990
-0.00020676 -0.01299429 0.02767614
0.00443859 -9.98411570 0.52723751
-0.00004102 -0.00007012 0.00001508
0.00071038 -0.01373022 0.00554494
-20.00359339 -1.56760273 4.71390171
-0.00012629 0.00014104 0.00007234
-0.01575079 0.04174409 -0.00136806
-4.78564813 7.64366142 -23.38324997
0.00023874 0.00001910 -0.00024100
0.01028782 0.00404533 0.00343881
2.59396125 2.54614594 -1.58823883
0.00000332 -0.00042493 0.00047327
-0.02592845 -0.04114830 -0.00633637
15.51181497 7.67340473 4.67824015
-0.00000203 -0.00015881 0.00002167
0.01571731 0.01409220 0.01095999
-9.36319671 -5.16816794 7.36117641
0.00064736 0.00060796 0.00051227
0.01157603 -0.01272020 0.00595310
-10.57000027 -4.09973618 4.91622790
-0.00042839 0.00103433 0.00041246
0.00421313 -0.00312787 0.01044974
-13.18118597 4.95389742 9.24477949
0.00037266 -0.00068270 -0.00054008
0.00352445 -0.00237557 -0.00826485
-13.45477373 2.08992148 8.68131256
0.00005004 -0.00041265 0.00014373
0.01629061 -0.01705822 -0.01750761
-14.54715269 0.75247978 4.71969329
0.00018150 0.00095785 0.00041405
-0.02957040 0.01091413 -0.01014659
-17.26785706 -0.01390588 3.91061644
0.00102797 0.00067728 -0.00007907
-0.00388074 -0.00444091 0.00372595
2.22874434 -21.22076277 11.62410117
0.00073121 -0.00038569 -0.00047800
0.00622619 0.01296545 0.01405438
3.62434581 -20.24302777 14.06836292
-0.00128246 0.00037531 -0.00014122
-0.00163876 0.00569970 -0.00672517
8.74946346 18.81399445 0.49974784
0.00055379 -0.00009279 0.00048520
-0.01243201 0.00134013 0.00630545
8.55576110 21.71134749 1.68129005
0.00094457 0.00073763 0.00060302
-0.01018279 -0.01634158 -0.00641379
-10.35476565 12.46511943 16.41206336
-0.00069225 -0.00055461 -0.00032917
-0.01469391 0.00573095 -0.00578293
-12.56934368 14.26084562 15.47773839
0.00020551 -0.00071408 0.00072247
-0.00275869 0.01432790 0.00559345
-5.96983841 0.14782243 -13.16338043
0.00078922 -0.00046985 -0.00028179
-0.00290138 0.02118383 0.00943942
-6.67565713 0.70345491 -10.32571223
0.00010314 -0.00022769 0.00013584
-0.00202805 0.02012077 -0.03450950
-6.67762506 6.54146305 -4.75855924
-0.00010009 -0.00005544 -0.00045861
-0.01248189 0.01382226 -0.01186392
-9.21059809 7.61104144 -5.69813180
0.00060156 0.00046114 0.00046004
-0.00850384 -0.00302751 0.00165274
-8.75471025 -3.48193287 18.82896051
0.00067422 -0.00032978 -0.00017880
0.00263168 -0.00549757 0.00242735
-7.73460387 -6.27171462 18.64672193
0.00031355 0.00093563 -0.00049375
-0.00400355 -0.00171718 0.00345745
-23.32412308 -3.28990114 -23.54854314
0.00058167 0.00014351 -0.00052435
-0.00341950 0.01594029 0.00255128
-23.67197196 -4.18030951 -20.71341275
0.00087397 -0.00084606 0.00030356
0.00361009 0.00161175 -0.02239734
6.94518290 13.28335193 4.34628835
-0.00034804 -0.00046732 0.00008960
0.00225511 0.01064209 -0.02234700
8.03431612 11.52848556 6.36533611
-0.00009969 0.00040943 -0.00076723
-0.01394042 0.01443473 0.00504819
24.41640023 28.62468902 -1.96526545
0.00009413 0.00009342 0.00019033
0.00434302 0.01169215 -0.01003332
23.82171086 31.49268297 -1.60088774
0.00005684 -0.00060665 -0.00084933
0.00031807 0.00725723 0.01444673
9.26305332 -2.48897913 -13.86845947
0.00073347 0.00016073 -0.00107722
0.00455966 -0.00324495 -0.00557568
7.17540970 -0.72174607 -12.75659030
0.00105786 0.00064375 0.00044861
-0.01603267 0.00478205 0.03025082
-7.21070474 -0.35043225 16.09192529
-0.00107153 -0.00118846 -0.00027538
0.01026878 0.01799714 -0.02168471
-7.97850958 -2.45981522 14.59582943
-0.00071176 0.00149830 -0.00006888
0.00908697 0.00270998 -0.01920408
-2.60238921 -26.88719421 12.89011309
0.00003073 0.00025038 0.00102195
0.00399226 -0.00189318 0.00480768
-3.33110104 -26.11213884 10.04853612
0.00080744 0.00049184 -0.00018305
0.00776277 0.00140685 0.00400730
-13.67177517 -3.05524744 -6.57633482
-0.00037570 0.00007289 0.00030143
-0.00909125 -0.00014503 0.00074376
-15.00286141 -4.48577856 -8.80405906
-0.00010986 0.00020696 0.00020957
-0.00293756 -0.00364321 -0.00562184
-18.58094302 -11.76180914 -17.00554165
-0.00120011 -0.00075631 0.00004542
0.01618741 0.03399241 0.02124670
-18.96627554 -13.88937224 -18.33971743
0.00079494 0.00010833 0.00074012
-0.00044415 -0.01842475 -0.01703348
22.94179494 3.78535792 1.32405293
0.00099871 0.00029951 -0.00011042
-0.00366985 -0.02349057 0.00671413
23.25148705 5.26006348 3.53981207
-0.00024546 0.00009704 -0.00065792
-0.00104426 0.00578511 0.02548246
16.48123424 -9.27246852 -13.37760660
0.00040791 -0.00143131 -0.00013444
-0.02193734 0.00643030 0.02034192
17.69056732 -9.17827079 -15.91841252
-0.00041152 -0.00109314 -0.00035862
-0.00136116 0.01472120 -0.03785455
-0.54688343 2.49819959 -7.80056496
-0.00024930 0.00060813 0.00020542
-0.01277581 -0.01337671 -0.00410086
-2.94588380 0.83998552 -8.52187726
0.00092788 -0.00101851 0.00138736
0.00117621 -0.00638642 -0.00758114
-5.64416074 -2.87159996 -16.43868440
0.00038063 -0.00059342 0.00021485
-0.01034753 -0.00042834 -0.00776210
-2.94909704 -2.07157575 -16.77923388
-0.00015660 0.00020178 0.00016765
-0.00490339 0.00187621 0.00248922
12.91936858 18.57393157 -21.35025025
-0.00070536 -0.00054090 0.00042793
0.00720287 0.00535299 0.00703453
11.87378530 16.16120637 -20.58023813
-0.00081872 0.00050256 0.00032789
0.00012051 -0.01027716 0.00139504
-15.17905167 15.44275253 -13.19637951
-0.00035697 -0.00008039 -0.00050996
-0.04895595 0.01312735 0.02685851
-18.06652568 14.90633032 -12.47027036
0.00097290 0.00102880 -0.00044200
0.00530618 -0.00146223 0.00011555
2.45510710 14.87945932 6.33465588
0.00068199 0.00130312 0.00059810
-0.01117252 0.00118067 -0.00007866
0.10708415 15.56730950 8.26821965
0.00115402 0.00102520 -0.00015606
0.03142662 -0.03031415 -0.02105742
-6.23211916 -8.34425012 1.49713583
0.00005677 -0.00106930 -0.00025871
-0.03638236 0.03721748 -0.01495750
-3.46749224 -8.97527995 1.40147907
0.00041154 -0.00023919 0.00072919
-0.00171138 -0.01100881 0.00124403
2.73461251 -4.56011227 2.94310783
0.00002808 -0.00117069 -0.00106253
-0.01608295 0.07383410 0.02039792
4.64449242 -6.06835139 1.43090714
-0.00027858 0.00068112 -0.00042229
0.00283466 -0.00203563 0.00132571
9.51535819 5.86669237 4.12931258
0.00001987 -0.00036123 0.00074263
-0.01213639 0.00478214 -0.00277999
12.35371007 5.87329809 4.75048914
-0.00010551 0.00051469 -0.00033454
-0.00070187 0.00160338 0.00511125
-7.71764986 -11.31351523 -2.16761864
-0.00029951 0.00023481 0.00064618
0.02276699 -0.04657627 0.01305193
-10.04120805 -9.53401239 -1.42133906
0.00065392 -0.00036592 0.00029311
-0.00079803 -0.00643717 0.00685672
4.64790357 -17.00565857 -13.31514140
0.00069168 -0.00023195 -0.00142230
-0.01988164 0.02662528 -0.01757712
2.49009011 -16.85150637 -11.67502290
0.00106003 0.00044839 0.00020857
0.00293886 0.03239743 -0.04506193
5.92911556 -7.03490391 -5.89361648
0.00040891 0.00032983 -0.00092967
0.00884709 0.02167823 -0.00736074
4.97222919 -8.94642573 -4.01042943
-0.00035326 0.00019170 0.00051518
-0.00411685 0.00782557 -0.03886219
17.04040799 1.52731504 24.22436235
0.00027616 0.00058241 0.00051824
-0.00178001 -0.00552367 0.00491510
19.43779463 2.04415368 25.65191968
-0.00055075 0.00095314 -0.00075048
0.00761847 0.00002136 -0.00251811
-9.38584904 2.95909466 2.10169128
-0.00114321 0.00011908 0.00028683
-0.00553715 -0.00587681 0.00838869
-7.80115081 4.98408565 1.09221848
-0.00068085 -0.00020434 -0.00035069
0.01419513 0.00336498 -0.00617583
-6.89503705 15.00035605 -9.63118205
0.00087861 -0.00052542 0.00041986
0.03470442 0.02233320 0.03487633
-9.39821945 13.76397447 -9.71614244
0.00052698 0.00060304 -0.00008069
-0.02595769 -0.01230196 0.01657234
0.16493510 11.04615966 -8.06354903
-0.00023133 0.00028150 -0.00023357
-0.00771291 -0.00828250 -0.00135114
2.44423908 12.47798669 -7.96936272
-0.00090556 0.00069917 0.00072086
0.03320868 0.02709834 0.01654684
-10.43900942 8.79560280 -13.77309703
-0.00040543 0.00036372 -0.00006059
-0.00352498 0.00030356 0.00987113
-12.81426288 9.81359041 -12.23618169
0.00083581 0.00012320 -0.00038952
-0.02361944 -0.00699769 0.05712933
7.22867901 5.95749455 14.76028658
-0.00026097 -0.00074747 -0.00025270
-0.00011093 0.02588735 0.00969725
7.74035293 3.96695870 12.87202235
-0.00108433 0.00183981 -0.00010700
-0.00094535 -0.01175040 0.00763867
-14.05357960 10.53459641 -8.12221479
-0.00027053 0.00089086 0.00061821
0.00928893 0.01788629 0.01722616
-16.38967133 9.33156250 -9.42003356
0.00048736 0.00054037 -0.00014642
-0.00498321 0.00731454 -0.00167419
9.16436837 9.74077150 -1.98618477
-0.00127972 0.00039485 0.00018398
0.00703101 0.01236627 0.00689380
6.60320025 8.92963279 -3.04349387
-0.00045680 0.00042094 -0.00120467
0.04870881 -0.01635741 -0.00382384
11.94093769 -20.55404385 -26.56118260
0.00086833 0.00012682 -0.00008311
0.00888400 0.00163137 0.00599759
13.26145207 -19.83605535 -24.06558918
-0.00054076 0.00059714 -0.00009530
0.00441437 0.00530999 0.02221461
5.96257417 4.59401778 2.95510664
-0.00081553 0.00167411 -0.00137817
0.00035359 -0.01218953 0.00282495
6.64850529 6.59209187 0.98958491
-0.00099186 0.00012746 -0.00061986
0.00219639 0.00235867 -0.00956920
20.43069340 -6.75389988 -5.24632334
-0.00020286 0.00069981 -0.00112545
-0.01152803 0.00873470 -0.01030284
18.16731474 -4.80523095 -5.20050459
-0.00069467 -0.00026889 0.00001013
0.01213133 -0.01540625 -0.01345101
-3.35017028 0.34011428 -1.48073718
-0.00055712 -0.00087914 0.00112159
0.01652997 0.00116883 -0.00166755
-2.10380206 0.59383203 -4.15644401
0.00078673 0.00097818 -0.00017154
0.00075502 -0.00059709 0.00455627
3.78503641 -3.25827291 -12.23623765
-0.00002875 -0.00108364 0.00080623
-0.00481441 -0.00004926 -0.00344207
0.96346692 -2.61823228 -11.80167153
-0.00013579 0.00071730 0.00112559
-0.03710558 -0.01930921 0.01642863
20.64698733 8.28611497 -6.79913910
-0.00061362 0.00048181 0.00127632
-0.00017009 -0.00336258 -0.00035312
22.43876986 9.01296493 -4.48018290
-0.00106929 -0.00037100 -0.00001860
-0.01001921 -0.01054988 -0.01478210
-7.42921861 4.66630082 9.11461195
-0.00056192 0.00031521 -0.00044285
0.00258752 -0.00303208 0.00315600
-7.36491726 6.51673703 11.35681312
0.00056533 -0.00050086 -0.00034356
-0.01153627 -0.00120845 -0.04623649
-3.04874909 -16.39825020 12.08460850
-0.00064814 0.00028302 -0.00027032
0.01002374 0.00690016 -0.00418870
-4.42476335 -13.97725622 11.83163368
0.00043500 -0.00028151 0.00013153
0.00799107 0.00823050 -0.00222309
7.90244365 0.12966840 -3.11633026
0.00078868 -0.00003990 -0.00104425
0.00427374 0.00700076 -0.02513270
7.60719111 2.11621076 -5.51960005
0.00017950 -0.00051194 -0.00013352
0.00648138 -0.01124847 0.00486354
0.85032907 -10.25128507 2.16785175
0.00070281 -0.00073597 -0.00046662
-0.00348110 -0.00605431 -0.01253966
0.68613923 -8.39757956 -0.00454441
-0.00065566 0.00004639 -0.00040914
-0.00001529 0.01557218 -0.00171018
-19.85936333 -1.63658143 6.60690626
0.00028059 0.00045883 0.00076533
-0.00240406 0.00002715 -0.01027250
-20.65037171 0.20916104 4.31972060
-0.00040376 0.00057571 -0.00044648
0.00730586 -0.03465790 0.00839141
-3.55985266 7.83056454 -24.81095031
-0.00001167 -0.00053687 -0.00163828
-0.01029242 0.01186150 0.02199548
-4.29844714 8.71857086 -21.93327851
-0.00092459 0.00046325 0.00032695
0.00064905 -0.00958257 -0.02541561
3.16532122 0.79005659 -1.28030719
0.00046787 0.00043221 0.00042553
0.01171753 0.02583843 0.00293075
0.82731491 1.88289683 -2.01298241
0.00029019 0.00035361 -0.00054508
0.01158070 0.01832108 0.00256057
16.29620735 7.74792511 6.37871120
0.00026356 0.00008334 -0.00043858
-0.01585627 -0.00718641 -0.01400837
15.86333084 9.38357643 4.09150251
-0.00006967 -0.00164522 0.00075392
-0.00423712 -0.00463962 -0.00550653
-0.32916339 -11.83361726 -13.49527853
-0.00007941 0.00006636 0.00022742
0.00522521 -0.00804123 0.00429775
-13.91988073 14.58322121 22.05338136
-0.00003948 -0.00009026 0.00013575
0.00323491 -0.00126885 0.00027272
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02863768
0.34516179
459.91077981
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1365278529
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.4032093207 (a.u.)
total exchange computation time: 2.6929619312 s
-154.2224822584
-931.36725612
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1365278529
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4027614775 (a.u.)
total exchange computation time: 2.6925308704 s
-154.2268634410
Anderson extrapolation: theta=1.4314089365 (1.4314089365)
-931.36753938
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1365278529
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.4020630263 (a.u.)
total exchange computation time: 2.6919460297 s
-154.2334684408
Anderson extrapolation: theta=0.0791382871 (0.0791382871)
-931.36773330
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1365278529
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4019626538 (a.u.)
total exchange computation time: 2.6910099983 s
-154.2343287031
Anderson extrapolation: theta=2.2301752426 (2.0000000000)
-931.36774753
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1365278529
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.4017514047 (a.u.)
total exchange computation time: 2.6915218830 s
-154.2360975935
Anderson extrapolation: theta=0.3342231772 (0.3342231772)
-931.36776802
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1365278529
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4016864297 (a.u.)
total exchange computation time: 2.6919200420 s
-154.2366122815
Anderson extrapolation: theta=1.0482968653 (1.0482968653)
-931.36777378
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1365278529
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4016375121 (a.u.)
total exchange computation time: 2.6917719841 s
-154.2369688504
Anderson extrapolation: theta=0.4634483238 (0.4634483238)
-931.36777895
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1365278529
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4016346581 (a.u.)
total exchange computation time: 2.6976161003 s
-154.2369518119
Anderson extrapolation: theta=0.9329571890 (0.9329571890)
-931.36778122
-164.456568 49.536862 -205.083033
-134.094621 458.629002 -797.850641
-298.551189 508.165864 -1002.933674
1163.289006
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1365278529
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4016467092 (a.u.)
total exchange computation time: 2.7024788857 s
679.29933000
-1084.90306207
89.81819586
-388.28871532
-174.89188487
78.92481897
551.60419304
0.00000000
-931.36778311
-10.76432170 -4.22813441 6.75445696
-0.00035728 0.00005347 -0.00019192
-0.00194341 0.00405744 -0.00357800
-14.20791688 3.47182755 9.50955510
0.00012470 0.00003245 -0.00018083
-0.01656367 0.02838608 0.02279280
-15.96905204 1.24030826 3.55138171
-0.00026525 0.00006144 -0.00009359
0.04839620 0.00400133 0.00922102
2.34405202 -19.77800598 12.84121196
0.00036286 -0.00007261 0.00010144
-0.00680612 -0.01462627 -0.01877737
9.52364215 20.45293200 0.73284469
-0.00000346 -0.00018767 0.00055111
0.01879033 0.01695781 -0.01036096
-11.63270256 12.77369647 15.07346460
-0.00065268 -0.00034207 0.00004249
0.02633730 -0.01852236 0.00086887
-6.40724284 1.59904759 -12.06898059
0.00016052 -0.00008841 -0.00024975
0.00448746 -0.04260333 0.01536489
-7.42626101 7.81252481 -5.89718294
0.00004435 -0.00000997 0.00008418
0.01833144 -0.01125019 -0.00076932
-7.59141058 -4.57358139 17.95037337
-0.00021971 0.00037678 -0.00014832
0.00492922 0.00387401 -0.00871118
-23.37641098 -4.73824091 -22.45779007
-0.00016226 -0.00045730 -0.00004907
-0.00575501 -0.01088377 0.01077797
6.64434801 12.78311578 6.03938942
-0.00000886 0.00003761 0.00012815
0.01363962 -0.02660917 0.01750672
24.63365062 30.30446277 -2.73529426
0.00002981 0.00022262 -0.00037517
0.01459508 -0.01788534 0.01055588
7.90067793 -1.32017793 -14.24894281
0.00005183 0.00002020 -0.00048910
0.00540302 0.00257416 -0.01926109
-7.07281213 -0.87337541 14.27974081
-0.00025331 -0.00007935 0.00011895
-0.01357065 -0.01467534 0.04250820
-1.98143330 -26.19174866 11.30125837
-0.00000385 -0.00012006 0.00000181
-0.00056228 0.00152390 -0.00858484
-14.32619118 -4.68618349 -7.12390372
0.00025132 0.00012028 0.00018494
0.00996909 0.00571396 0.00219621
-19.97517515 -12.44127755 -17.90443347
-0.00017477 -0.00001522 0.00005417
-0.01163017 -0.01886613 -0.00198842
22.58389293 3.62321026 3.14311052
0.00014379 -0.00015629 -0.00011968
0.00821083 0.01413691 -0.02306123
17.81593175 -9.95676250 -14.34253338
-0.00017857 -0.00022853 0.00004517
0.02841945 -0.02587645 0.01204336
-2.27668683 1.98020761 -7.29091730
0.00033713 -0.00023419 0.00024044
0.00882522 0.01914363 0.01708412
-4.04407458 -3.00342891 -15.63334769
-0.00024530 -0.00006276 -0.00004265
0.01436077 -0.00208099 0.00915286
13.42233444 17.13203518 -20.32914088
0.00006350 0.00025418 0.00037243
-0.01100665 -0.00242070 -0.00452970
-16.66240182 16.03690513 -12.05117755
0.00051830 -0.00004206 -0.00012363
0.04595132 -0.00301175 -0.01942598
1.28886205 14.18869478 7.57827648
0.00057678 0.00010794 -0.00008660
-0.02239175 0.03738988 0.01688018
-5.12016068 -9.57112163 2.01602394
-0.00032697 0.00004842 0.00005704
0.04961212 -0.03544865 0.02234902
3.11557848 -6.14966065 2.43532948
-0.00018126 -0.00041486 0.00019803
0.02524702 -0.08400383 -0.01976319
10.84754366 4.80804553 4.74927647
-0.00010290 0.00013799 -0.00042014
0.02311589 -0.00912068 0.00221697
-8.56165274 -9.81468150 -2.45099684
0.00010524 0.00022385 -0.00046135
-0.02288220 0.05664458 -0.02550528
3.06492085 -15.92712355 -13.33984561
0.00006694 -0.00006664 0.00022132
0.01877192 -0.05840302 0.05984162
4.85915327 -8.48068864 -5.85885877
0.00002431 0.00006534 0.00037258
-0.01006711 -0.02624671 0.05211944
18.52239545 0.64780000 24.91146075
0.00017015 0.00022412 -0.00027430
-0.01097786 0.00596841 -0.00095690
-7.97087534 3.16905847 0.96982910
-0.00034901 -0.00007902 0.00005327
-0.01161682 0.00403224 0.01371341
-7.98793795 14.21326842 -10.71517234
0.00014507 -0.00008073 0.00033033
0.00176138 -0.00640274 -0.05368936
1.64466858 11.36108175 -9.08305770
0.00017109 -0.00007835 0.00013374
-0.02170258 -0.01597962 -0.01843167
-11.93960212 9.84101061 -13.73707094
0.00024802 0.00026895 -0.00008016
0.02740335 0.00825984 -0.07668724
7.38709912 4.18131102 14.69544683
-0.00031339 -0.00000148 0.00021341
-0.00072427 -0.00857351 -0.02611817
-14.58626746 9.52595538 -9.50352888
-0.00005858 -0.00033198 0.00027799
-0.00556410 -0.02299366 -0.00813711
8.50283606 8.45609251 -3.06139873
0.00023745 -0.00037168 -0.00020665
-0.06331429 0.00443905 0.00010607
13.60704892 -20.35446790 -25.75281028
0.00017753 -0.00003913 0.00012913
-0.01133805 -0.01509510 -0.04119577
6.30696533 6.38493983 2.75202095
0.00016215 0.00014230 0.00003510
-0.00378391 0.01878467 -0.00042403
19.29787112 -5.78303323 -6.35159704
-0.00005334 -0.00006131 -0.00031513
-0.01118131 0.00910106 0.02418681
-1.73641516 0.14520606 -2.37276787
0.00005670 -0.00012188 -0.00024803
-0.02128389 0.00274221 -0.01115330
2.45231849 -1.96253012 -12.50152902
-0.00018221 0.00023109 0.00016173
0.04373928 0.00955846 -0.00777984
20.75296241 9.26902408 -5.26381172
-0.00030030 0.00010484 -0.00001715
-0.01151866 0.01201835 0.00990600
-7.50120618 6.48688754 9.42788094
0.00014014 -0.00003794 -0.00001853
-0.00352372 0.00519567 0.05161931
-2.70692703 -14.60712439 11.74635646
0.00005400 0.00005655 -0.00043451
-0.00676081 -0.01507239 0.00968939
8.19358098 0.41777569 -4.94572222
-0.00023018 0.00030009 0.00002244
0.00296389 -0.01692123 0.02110678
0.00382604 -9.98522048 0.52748514
-0.00004074 -0.00007723 0.00001783
0.00036729 -0.01392021 0.00514481
-20.00554844 -1.56532614 4.71498148
-0.00013457 0.00016293 0.00007238
-0.01647559 0.04340215 0.00153522
-4.78202741 7.64396346 -23.38685172
0.00024439 0.00002125 -0.00023968
0.01171500 0.00433312 0.00169393
2.59391109 2.53961328 -1.58116416
-0.00000987 -0.00044456 0.00046980
-0.02536964 -0.03519428 -0.00718572
15.51184518 7.67107688 4.67860752
0.00000538 -0.00015432 0.00002796
0.01307897 0.00338160 0.01347232
-9.35313152 -5.15943836 7.36904285
0.00068410 0.00056349 0.00053076
0.00640632 -0.00904751 0.00310038
-10.57629704 -4.08431705 4.92273508
-0.00040933 0.00102119 0.00044769
0.00511655 -0.00330563 0.00679158
-13.17548804 4.94358411 9.23642496
0.00039031 -0.00068722 -0.00057422
0.00511473 0.00016311 -0.00844267
-13.45352386 2.08320899 8.68293201
0.00011465 -0.00047980 0.00007409
0.01533595 -0.01581129 -0.01658043
-14.54533639 0.76718196 4.72559314
0.00005693 0.00100267 0.00036958
-0.03140280 0.01102699 -0.01162503
-17.25255642 -0.00388281 3.90954464
0.00099853 0.00064605 -0.00006024
-0.01052973 -0.01084312 0.00548934
2.23990333 -21.22615078 11.61736191
0.00075689 -0.00032779 -0.00041620
0.00634229 0.01537538 0.01619602
3.60505873 -20.23722342 14.06603847
-0.00127322 0.00039256 -0.00015387
0.00616144 0.00274174 0.00053506
8.75738940 18.81264369 0.50721903
0.00049934 -0.00009056 0.00051133
-0.01422074 -0.00024732 0.00648591
8.56961763 21.72191119 1.69013880
0.00090229 0.00066760 0.00057569
-0.01051532 -0.01793814 -0.00696342
-10.36559972 12.45697597 16.40694854
-0.00074938 -0.00053265 -0.00035037
-0.01327076 0.00501732 -0.00459388
-12.56634564 14.25057347 15.48874679
0.00018891 -0.00064784 0.00074691
-0.00536443 0.01809697 0.00637306
-5.95808898 0.14142386 -13.16731802
0.00077590 -0.00037918 -0.00024003
-0.00362041 0.02319727 0.01100318
-6.67417213 0.70065614 -10.32473204
0.00009549 -0.00014391 -0.00000826
-0.00172038 0.02088834 -0.03602867
-6.67950891 6.54105497 -4.76580194
-0.00014873 -0.00000251 -0.00050353
-0.01132510 0.01208913 -0.01012633
-9.20183533 7.61786577 -5.69118055
0.00055740 0.00044810 0.00046758
-0.01311239 -0.00335340 0.00203608
-8.74451630 -3.48704804 18.82635287
0.00067479 -0.00034204 -0.00016076
-0.00235087 -0.00050530 0.00640185
-7.73002337 -6.25773278 18.63942170
0.00029645 0.00091915 -0.00047585
-0.00436346 -0.00634876 0.00530354
-23.31550275 -3.28726006 -23.55633018
0.00056724 0.00019902 -0.00050530
-0.00364484 0.01123306 0.00677312
-23.65875172 -4.19295098 -20.70954567
0.00088858 -0.00083849 0.00021153
0.00353870 0.00209250 -0.02265010
6.94003140 13.27666831 4.34694756
-0.00033970 -0.00042222 -0.00000401
0.00182695 0.01143245 -0.02347517
8.03239353 11.53506927 6.35398238
-0.00015322 0.00046459 -0.00074387
-0.01225881 0.01256868 0.00638720
24.41794521 28.62644858 -1.96271799
0.00011289 0.00014469 0.00014666
0.00484304 0.01340618 -0.01134163
23.82257326 31.48380562 -1.61318500
0.00005282 -0.00056796 -0.00078306
-0.00228734 0.01168100 0.01799430
9.27419514 -2.48666756 -13.88478868
0.00074944 0.00014965 -0.00110058
0.00325712 -0.00217978 -0.00585788
7.19078635 -0.71194321 -12.74893415
0.00099804 0.00065855 0.00056160
-0.01325300 0.00246115 0.02505710
-7.22646308 -0.36770761 16.08713010
-0.00102727 -0.00110933 -0.00035586
0.01139880 0.02073674 -0.01771146
-7.98890752 -2.43725774 14.59420772
-0.00068307 0.00149269 -0.00014804
0.00495814 -0.00545202 -0.01954434
-2.60180594 -26.88349647 12.90558963
0.00004895 0.00024596 0.00103224
0.00492738 -0.00027012 0.00022790
-3.31875160 -26.10471815 10.04591311
0.00083311 0.00049705 -0.00017007
0.00480548 0.00114225 0.00235069
-13.67768923 -3.05415859 -6.57179055
-0.00041157 0.00007537 0.00030555
-0.00846589 0.00136066 0.00126985
-15.00459939 -4.48278581 -8.80108778
-0.00012069 0.00019197 0.00018854
-0.00236062 -0.00369213 -0.00467193
-18.59844858 -11.77211214 -17.00420930
-0.00112123 -0.00060809 0.00014267
0.02242133 0.03855976 0.02635654
-18.95436504 -13.88831193 -18.32913760
0.00078949 0.00003507 0.00067014
-0.00222591 -0.01743493 -0.01722231
22.95666308 3.78913072 1.32260237
0.00098256 0.00020125 -0.00008180
-0.00423396 -0.02460540 0.00729634
23.24777317 5.26169628 3.53072417
-0.00025004 0.00012146 -0.00055199
-0.00119935 0.00617064 0.02636970
16.48668063 -9.29374113 -13.37899988
0.00030546 -0.00139803 -0.00004336
-0.02821282 0.00986079 0.02424345
17.68435277 -9.19421677 -15.92495186
-0.00041817 -0.00103347 -0.00051130
-0.00189392 0.01448873 -0.03688074
-0.55101446 2.50691168 -7.79760939
-0.00029796 0.00055365 0.00018707
-0.01104300 -0.01329327 -0.00487944
-2.93192948 0.82451224 -8.50129911
0.00093014 -0.00104964 0.00135055
-0.00007419 -0.00885469 -0.01044211
-5.63876844 -2.88051444 -16.43569946
0.00032768 -0.00059443 0.00017747
-0.01556962 -0.00006611 -0.01053576
-2.95159629 -2.06849156 -16.77664286
-0.00017703 0.00020901 0.00017817
-0.00509757 0.00166238 0.00266138
12.90900891 18.56598208 -21.34361571
-0.00067593 -0.00051169 0.00045266
0.00720137 0.00894784 0.00506846
11.86150817 16.16842982 -20.57527703
-0.00081039 0.00046307 0.00033596
0.00395570 -0.00905326 0.00255436
-15.18590639 15.44194901 -13.20320591
-0.00055152 -0.00002706 -0.00040234
-0.04627726 0.01297648 0.02582139
-18.05176953 14.92171754 -12.47689682
0.00098337 0.00101403 -0.00044350
-0.00018130 -0.00576787 -0.00085193
2.46499464 14.89904232 6.34362491
0.00063681 0.00130520 0.00059727
-0.01094567 -0.00016211 -0.00032719
0.12535743 15.58175858 8.26523355
0.00128162 0.00089812 -0.00024118
0.03103524 -0.03189221 -0.02061309
-6.23238254 -8.35914914 1.49279676
-0.00010269 -0.00090428 -0.00032619
-0.04167397 0.04356268 -0.01807333
-3.46137163 -8.97920520 1.41245503
0.00039955 -0.00028477 0.00073500
-0.00415687 -0.01130250 0.00159929
2.73454082 -4.57541006 2.92779501
-0.00004505 -0.00084660 -0.00097186
-0.01971159 0.08480837 0.02398224
4.64040055 -6.05819701 1.42461340
-0.00027076 0.00067027 -0.00041462
0.00099468 -0.00327228 0.00243110
9.51528441 5.86142053 4.14036678
-0.00003856 -0.00033462 0.00072684
-0.01646690 0.00824328 -0.00494674
12.35210596 5.88106757 4.74562767
-0.00011083 0.00051918 -0.00031365
-0.00190170 0.00059424 0.00511310
-7.72144488 -11.31142035 -2.15752595
-0.00020573 0.00004610 0.00069853
0.02313940 -0.04579726 0.01257052
-10.03142373 -9.53969839 -1.41673234
0.00064891 -0.00038991 0.00032112
-0.00165325 -0.00530704 0.00685489
4.65766958 -17.00832188 -13.33701445
0.00060410 -0.00012026 -0.00149178
-0.02298941 0.02804767 -0.01643591
2.50608059 -16.84378778 -11.67327518
0.00107080 0.00057778 0.00002812
0.00233274 0.03093911 -0.04326972
5.93552024 -7.02929215 -5.90778702
0.00044026 0.00041120 -0.00095728
0.00650058 0.01815153 -0.00615488
4.96680417 -8.94331040 -4.00389259
-0.00036867 0.00022558 0.00035578
-0.00342921 0.00875580 -0.03916750
17.04449590 1.53588195 24.23228661
0.00026490 0.00055905 0.00053587
-0.00373497 -0.00591299 0.00371535
19.42976678 2.05845142 25.64058526
-0.00051716 0.00095177 -0.00075978
0.00882369 -0.00069080 -0.00203259
-9.40316683 2.96070071 2.10625084
-0.00115682 0.00009673 0.00031427
-0.00112432 -0.00506357 0.00504312
-7.81092860 4.98112370 1.08676885
-0.00062261 -0.00018795 -0.00037572
0.01431288 0.00465711 -0.00607485
-6.88079447 14.99315912 -9.62381550
0.00101475 -0.00043882 0.00055649
0.03193581 0.02005760 0.03200820
-9.39111015 13.77264317 -9.71684498
0.00041230 0.00055039 -0.00000690
-0.03017840 -0.01347113 0.01954649
0.16122877 11.05012831 -8.06709395
-0.00026224 0.00024686 -0.00024049
-0.00741760 -0.00867482 -0.00203705
2.43167333 12.48930459 -7.95804276
-0.00077268 0.00080491 0.00078308
0.03183381 0.02466236 0.01390840
-10.44519884 8.80106785 -13.77370335
-0.00041209 0.00036009 -0.00002086
0.00026394 -0.00207799 0.00957741
-12.80244944 9.81522404 -12.24027388
0.00073404 0.00009481 -0.00014794
-0.02619842 -0.00690152 0.06112621
7.22476108 5.94707578 14.75679320
-0.00026328 -0.00062728 -0.00020892
-0.00101987 0.03294838 0.01173476
7.72405903 3.99419585 12.87065138
-0.00108736 0.00178732 -0.00007622
-0.00053937 -0.01394830 0.00742843
-14.05735294 10.54850745 -8.11241385
-0.00023641 0.00095483 0.00067600
0.00741645 0.01342646 0.01106245
-16.38251358 9.33989213 -9.42228114
0.00045622 0.00056866 -0.00015318
-0.01026029 0.00653794 -0.00163518
9.14538803 9.74707313 -1.98321385
-0.00125089 0.00044245 0.00021005
0.00708186 0.01093456 0.00587018
6.59784078 8.93544562 -3.06168106
-0.00025154 0.00035058 -0.00122053
0.05177113 -0.01808147 -0.00393874
11.95423490 -20.55209151 -26.56224540
0.00089804 0.00013294 -0.00006231
0.00566037 0.00136334 0.00418382
13.25347587 -19.82693560 -24.06633788
-0.00052173 0.00061792 -0.00000645
0.00490134 0.00486391 0.02127504
5.95035200 4.61875586 2.93452070
-0.00081850 0.00160301 -0.00136203
-0.00180414 -0.02261338 0.00507561
6.63369468 6.59407604 0.97999383
-0.00098339 0.00013847 -0.00065192
0.00194915 0.00303295 -0.00612617
20.42729723 -6.74313514 -5.26352078
-0.00024080 0.00072766 -0.00115863
-0.00704160 0.00489964 -0.00594002
18.15726649 -4.80973632 -5.20076479
-0.00064174 -0.00033404 -0.00004817
0.01377502 -0.01648589 -0.01508882
-3.35802053 0.32696299 -1.46396449
-0.00047674 -0.00087492 0.00110507
0.02281741 0.00089913 -0.00641626
-2.09197797 0.60848641 -4.15887743
0.00078685 0.00097502 -0.00015165
-0.00069827 -0.00094697 0.00517846
3.78445759 -3.27452900 -12.22424971
-0.00005643 -0.00107377 0.00078943
-0.00873216 0.00488018 -0.00478255
0.96029306 -2.60806453 -11.78428425
-0.00028467 0.00064035 0.00119065
-0.03577067 -0.01835606 0.01541753
20.63777783 8.29323902 -6.78000510
-0.00061540 0.00045730 0.00125767
-0.00070203 -0.00863550 -0.00877493
22.42242344 9.00707664 -4.48091485
-0.00110286 -0.00041424 -0.00007569
-0.00641307 -0.01061535 -0.01316293
-7.43756815 4.67093610 9.10806588
-0.00055095 0.00029907 -0.00043090
0.00278305 -0.00486769 0.00269612
-7.35679079 6.50918714 11.35024294
0.00051802 -0.00050522 -0.00052852
-0.01162329 -0.00092875 -0.04430467
-3.05816402 -16.39379352 12.08042542
-0.00060542 0.00030922 -0.00028763
0.01088887 0.00592674 -0.00428811
-4.41799350 -13.98122665 11.83353848
0.00046088 -0.00024348 0.00012231
0.00467962 0.01038333 -0.00228716
7.91440481 0.12928450 -3.13276418
0.00080273 -0.00001253 -0.00113133
0.00260436 0.00639401 -0.01749473
7.61008228 2.10818699 -5.52145380
0.00020265 -0.00054950 -0.00011511
0.00484717 -0.00713654 0.00414609
0.86076452 -10.26251009 2.16046816
0.00068865 -0.00075918 -0.00051775
-0.00345039 -0.00530746 -0.01248697
0.67630393 -8.39640649 -0.01073396
-0.00065566 0.00010927 -0.00041494
0.00001134 0.01520862 -0.00112554
-19.85522812 -1.62969818 6.61807136
0.00026943 0.00045949 0.00071528
-0.00306131 0.00029810 -0.01422522
-20.65620428 0.21673461 4.31328056
-0.00037134 0.00042912 -0.00041006
0.00856500 -0.03709909 0.00943605
-3.56034307 7.82287500 -24.83485045
-0.00005820 -0.00048657 -0.00153869
-0.01248717 0.01276112 0.02675219
-4.31229617 8.72522591 -21.92915306
-0.00092026 0.00042215 0.00021752
0.00147244 -0.01053272 -0.02814937
3.17269832 0.79733153 -1.27383447
0.00051695 0.00052886 0.00043906
0.01231007 0.02147378 0.00369164
0.83202266 1.88876237 -2.02108017
0.00033613 0.00042567 -0.00053358
0.01090820 0.01695118 0.00306890
16.29967487 7.74895505 6.37170321
0.00020020 0.00005226 -0.00049089
-0.01515927 -0.00803086 -0.01159713
15.86215588 9.35875599 4.10264263
-0.00008328 -0.00164056 0.00072159
-0.00242069 0.00691874 -0.01031884
-0.33034045 -11.83264348 -13.49185574
-0.00007752 0.00006353 0.00022894
0.00530578 -0.00778118 0.00420831
-13.92046734 14.58186509 22.05541802
-0.00003873 -0.00009055 0.00013581
0.00327326 -0.00122200 0.00031643
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02876896
0.33901415
451.71936268
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1365278529
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4192888164 (a.u.)
total exchange computation time: 2.6925439835 s
-154.2817737160
-931.36132327
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1365278529
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4185418748 (a.u.)
total exchange computation time: 2.6919910908 s
-154.2883182734
Anderson extrapolation: theta=1.3493651402 (1.3493651402)
-931.36159321
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1365278529
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.4174312302 (a.u.)
total exchange computation time: 2.6920340061 s
-154.2977450150
Anderson extrapolation: theta=0.0527315041 (0.0527315041)
-931.36176122
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1365278529
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.4172913645 (a.u.)
total exchange computation time: 2.6915159225 s
-154.2987920954
Anderson extrapolation: theta=1.9295585510 (1.9295585510)
-931.36176965
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1365278529
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.4169971036 (a.u.)
total exchange computation time: 2.6901779175 s
-154.3009597754
Anderson extrapolation: theta=0.2218339325 (0.2218339325)
-931.36178162
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1365278529
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.4169257821 (a.u.)
total exchange computation time: 2.6922440529 s
-154.3014546707
Anderson extrapolation: theta=1.8588421862 (1.8588421862)
-931.36178490
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1365278529
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4168153151 (a.u.)
total exchange computation time: 2.6932859421 s
-154.3021816825
Anderson extrapolation: theta=0.2862989639 (0.2862989639)
-931.36179067
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1365278529
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4168068504 (a.u.)
total exchange computation time: 2.6908030510 s
-154.3021951614
Anderson extrapolation: theta=1.3322921751 (1.3322921751)
-931.36179261
-164.417487 49.570051 -205.078825
-134.080815 458.676362 -797.884181
-298.498302 508.246414 -1002.963006
1163.335912
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1365278529
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4168136999 (a.u.)
total exchange computation time: 2.5753409863 s
679.53318967
-1085.41851468
89.80801392
-387.93531143
-174.93235900
79.21330235
551.60419304
0.00000000
-931.36179521
-10.76968838 -4.22731666 6.75156437
-0.00035712 0.00005458 -0.00019197
0.00257466 0.00025889 0.00337045
-14.20611033 3.47242381 9.50693052
0.00011614 0.00004593 -0.00016951
-0.01672358 0.02404226 0.02125614
-15.97284417 1.24124524 3.55001340
-0.00023837 0.00006519 -0.00008909
0.05613152 0.01060411 0.00829746
2.34946862 -19.77915147 12.84266118
0.00035729 -0.00007985 0.00008933
-0.01484530 -0.01355792 -0.02830753
9.52366271 20.45018244 0.74107137
0.00000663 -0.00017825 0.00054583
0.02046980 0.01965433 -0.01018997
-11.64239120 12.76849403 15.07410538
-0.00063900 -0.00035217 0.00004245
0.02688523 -0.02075634 -0.00105172
-6.40481767 1.59755716 -12.07266751
0.00016291 -0.00011080 -0.00024189
0.00477877 -0.04447957 0.01519678
-7.42552508 7.81233192 -5.89592328
0.00005447 -0.00001515 0.00008314
0.02102581 -0.00890701 -0.00324003
-7.59468727 -4.56791472 17.94811491
-0.00021576 0.00037858 -0.00015426
0.01043026 0.00312628 -0.01438554
-23.37886704 -4.74514240 -22.45848448
-0.00016509 -0.00046179 -0.00004468
-0.00526148 -0.00657296 0.00625564
6.64426773 12.78357732 6.04137920
-0.00000227 0.00002444 0.00013685
0.01199905 -0.02459718 0.01632101
24.63415405 30.30773310 -2.74088111
0.00003780 0.00021197 -0.00037035
0.01649518 -0.02353233 0.00819561
7.90147617 -1.31986496 -14.25635363
0.00005411 0.00002193 -0.00049731
0.00346905 0.00412364 -0.01266750
-7.07666416 -0.87462223 14.28168905
-0.00025931 -0.00008542 0.00013963
-0.00974484 -0.00895105 0.03790596
-1.98149329 -26.19354371 11.30125245
-0.00000357 -0.00011961 -0.00000096
0.00168651 0.00025208 -0.00220023
-14.32238300 -4.68435718 -7.12112110
0.00025609 0.00012283 0.00018560
0.00859963 0.00418284 0.00037240
-19.97784160 -12.44157859 -17.90362858
-0.00018162 -0.00002634 0.00005199
-0.01501524 -0.02438713 -0.00650320
22.58608151 3.62092038 3.14122632
0.00014817 -0.00014876 -0.00013180
0.00880435 0.01517609 -0.02405675
17.81336288 -9.96029028 -14.34180944
-0.00016243 -0.00024232 0.00004981
0.03433195 -0.02773492 0.00602437
-2.27159578 1.97676858 -7.28724482
0.00034142 -0.00022383 0.00025000
0.00783684 0.02115192 0.02009122
-4.04769868 -3.00437838 -15.63395208
-0.00023662 -0.00006382 -0.00003732
0.01940561 -0.00203849 0.01154726
13.42324453 17.13583851 -20.32357187
0.00005695 0.00025172 0.00037027
-0.01445884 -0.00712567 -0.00386955
-16.65445008 16.03626255 -12.05310692
0.00054239 -0.00004242 -0.00013285
0.04772354 0.00161206 -0.01644992
1.29742745 14.19045812 7.57704263
0.00056541 0.00012767 -0.00007807
-0.02184221 0.03935028 0.01628005
-5.12487390 -9.57053214 2.01696574
-0.00029996 0.00002908 0.00006906
0.05541862 -0.03973991 0.02440583
3.11295693 -6.15620754 2.43822373
-0.00016717 -0.00045938 0.00018710
0.02956492 -0.08912843 -0.02274827
10.84608927 4.81008025 4.74298288
-0.00008966 0.00013271 -0.00041853
0.02838331 -0.01143106 0.00404812
-8.56016233 -9.81110530 -2.45801544
0.00009394 0.00025188 -0.00047416
-0.02108465 0.05238443 -0.02432462
3.06599737 -15.92834837 -13.33629503
0.00007744 -0.00009639 0.00025106
0.02206406 -0.05731019 0.05581828
4.85947909 -8.47980973 -5.85306899
0.00001963 0.00005278 0.00039887
-0.00811426 -0.02262180 0.05011288
18.52490536 0.65118478 24.90734252
0.00016469 0.00022742 -0.00027461
-0.01025164 0.00685812 -0.00024448
-7.97615525 3.16788870 0.97068101
-0.00035609 -0.00007740 0.00006111
-0.01592649 0.00228084 0.01679568
-7.98575509 14.21203278 -10.71042444
0.00014787 -0.00008300 0.00030318
0.00912268 -0.00243039 -0.05188940
1.64715121 11.35984484 -9.08112267
0.00016036 -0.00008563 0.00012536
-0.02003983 -0.01233128 -0.01418083
-11.93577613 9.84507677 -13.73856913
0.00026135 0.00027381 -0.00011976
0.02445284 0.01060910 -0.07732046
7.38239553 4.18125572 14.69854729
-0.00031363 -0.00000681 0.00019955
-0.00022703 -0.01216091 -0.02779246
-14.58716758 9.52088692 -9.49939041
-0.00005959 -0.00034251 0.00027537
0.00161883 -0.01793003 -0.00204941
8.50615355 8.45053444 -3.06449803
0.00020447 -0.00036849 -0.00020617
-0.06491769 0.00798244 0.00175323
13.60966820 -20.35511309 -25.75103218
0.00017245 -0.00004662 0.00010892
-0.00841369 -0.01402253 -0.03740751
6.30938303 6.38714680 2.75254584
0.00016084 0.00015450 0.00003343
-0.00131714 0.02865652 -0.00606583
19.29702786 -5.78391784 -6.35623065
-0.00006072 -0.00005534 -0.00030360
-0.01749929 0.01414779 0.02064020
-1.73564669 0.14338838 -2.37653132
0.00004474 -0.00012042 -0.00025275
-0.02523478 0.00296606 -0.00719592
2.44975407 -1.95902697 -12.49913311
-0.00015945 0.00023442 0.00015846
0.04477217 0.00341902 -0.00493920
20.74841349 9.27064305 -5.26403071
-0.00030703 0.00011244 -0.00001035
-0.01464810 0.01754691 0.01651832
-7.49911764 6.48633852 9.42780204
0.00013827 -0.00003495 0.00000731
-0.00374237 0.00643282 0.04886308
-2.70614313 -14.60633432 11.73987612
0.00005118 0.00004856 -0.00042954
-0.00420515 -0.01596783 0.00964925
8.19013967 0.42221182 -4.94530420
-0.00022781 0.00029036 0.00003137
0.00624884 -0.02093450 0.01361681
0.00321633 -9.98643265 0.52777245
-0.00004063 -0.00008432 0.00002026
0.00008073 -0.01365435 0.00430385
-20.00763060 -1.56271472 4.71607309
-0.00014315 0.00018548 0.00007385
-0.01685963 0.04427518 0.00417425
-4.77831631 7.64429893 -23.39044040
0.00025063 0.00002345 -0.00023926
0.01254968 0.00423557 -0.00003924
2.59366522 2.53280911 -1.57414493
-0.00002280 -0.00046094 0.00046587
-0.02492235 -0.02849599 -0.00810023
15.51197630 7.66877511 4.67907882
0.00001131 -0.00015554 0.00003546
0.00998913 -0.00813224 0.01569763
-9.34267372 -5.15126327 7.37709931
0.00069930 0.00053401 0.00053746
0.00103600 -0.00538446 0.00017840
-10.58228023 -4.06910051 4.92965849
-0.00038657 0.00100754 0.00046739
0.00602757 -0.00337498 0.00285590
-13.16947665 4.93328080 9.22755301
0.00041438 -0.00068145 -0.00060905
0.00666884 0.00266385 -0.00860690
-13.45133411 2.07552748 8.68353530
0.00017435 -0.00054016 0.00000924
0.01388674 -0.01373414 -0.01516251
-14.54544465 0.78255994 4.73078054
-0.00007365 0.00104754 0.00032008
-0.03251995 0.01093783 -0.01260242
-17.23790111 0.00547573 3.90880925
0.00094193 0.00058856 -0.00003414
-0.01717831 -0.01730029 0.00728810
2.25145101 -21.23059649 11.61161524
0.00078292 -0.00026105 -0.00034649
0.00639998 0.01729291 0.01792765
3.58614926 -20.23125102 14.06374681
-0.00123148 0.00039746 -0.00013576
0.01427120 -0.00034286 0.00833057
8.76444381 18.81127777 0.51508773
0.00043798 -0.00009451 0.00053814
-0.01581984 -0.00168723 0.00663945
8.58282972 21.73137554 1.69856079
0.00085859 0.00059148 0.00054635
-0.01087256 -0.01932516 -0.00740068
-10.37724710 12.44913999 16.40155217
-0.00079996 -0.00051388 -0.00036605
-0.01148795 0.00416902 -0.00308226
-12.56367636 14.24141040 15.50014577
0.00016246 -0.00056734 0.00077426
-0.00758490 0.02130965 0.00701253
-5.94656144 0.13644696 -13.17058127
0.00075996 -0.00028150 -0.00019281
-0.00418362 0.02461729 0.01211216
-6.67279257 0.69913754 -10.32595990
0.00008895 -0.00005765 -0.00015725
-0.00147906 0.02133712 -0.03690700
-6.68208684 6.54138778 -4.77366525
-0.00019204 0.00004239 -0.00054062
-0.00987721 0.00988933 -0.00802756
-9.19387618 7.62448458 -5.68410451
0.00049534 0.00043393 0.00047661
-0.01726741 -0.00358625 0.00238426
-8.73446642 -3.49219418 18.82413757
0.00065475 -0.00033363 -0.00012617
-0.00746133 0.00462280 0.01053228
-7.72571030 -6.24414003 18.63244651
0.00027799 0.00088396 -0.00045054
-0.00467385 -0.01087716 0.00708376
-23.30710579 -3.28393055 -23.56370212
0.00055181 0.00023531 -0.00046925
-0.00391164 0.00653174 0.01087309
-23.64531460 -4.20546422 -20.70706672
0.00090270 -0.00082879 0.00011970
0.00337588 0.00265771 -0.02230575
6.93499188 13.27068534 4.34616806
-0.00033342 -0.00037454 -0.00010022
0.00124518 0.01190495 -0.02361857
8.02971964 11.54242328 6.34302011
-0.00019895 0.00051138 -0.00071500
-0.01012769 0.01033658 0.00774358
24.41978700 28.62902975 -1.96086562
0.00013354 0.00020192 0.00009817
0.00526304 0.01460849 -0.01239668
23.82329547 31.47564416 -1.62437946
0.00003844 -0.00051181 -0.00070287
-0.00475169 0.01580703 0.02125697
9.28553658 -2.48448957 -13.90147691
0.00075997 0.00014296 -0.00112503
0.00189439 -0.00109471 -0.00611032
7.20535078 -0.70198952 -12.73974235
0.00095014 0.00066304 0.00065151
-0.01019454 -0.00026330 0.01895336
-7.24152283 -0.38371210 16.08124944
-0.00097868 -0.00101912 -0.00041908
0.01238642 0.02342113 -0.01323364
-7.99900159 -2.41503440 14.59138822
-0.00067201 0.00145320 -0.00022833
0.00045531 -0.01387888 -0.01975658
-2.60092069 -26.87981530 12.92108014
0.00007083 0.00024794 0.00102414
0.00578340 0.00123686 -0.00419162
-3.30610766 -26.09722747 10.04343416
0.00084644 0.00050127 -0.00016423
0.00171826 0.00092459 0.00050489
-13.68412213 -3.05298634 -6.56716846
-0.00044484 0.00008418 0.00031189
-0.00782141 0.00294977 0.00183587
-15.00648204 -4.48001933 -8.79840282
-0.00012901 0.00017677 0.00017168
-0.00171350 -0.00375154 -0.00358301
-18.61458003 -11.78005196 -17.00126166
-0.00101897 -0.00044278 0.00025929
0.02763836 0.04236352 0.03073030
-18.94259096 -13.88832015 -18.31961326
0.00077647 -0.00003298 0.00059985
-0.00414649 -0.01587367 -0.01718513
22.97127174 3.79139555 1.32159898
0.00096433 0.00009888 -0.00005129
-0.00468867 -0.02550948 0.00763588
23.24398579 5.26370725 3.52325237
-0.00025555 0.00014675 -0.00044298
-0.00149513 0.00620895 0.02699170
16.49039796 -9.31440941 -13.37890737
0.00017914 -0.00135184 0.00006228
-0.03362009 0.01274746 0.02746632
17.67802215 -9.20927480 -15.93375147
-0.00042686 -0.00097618 -0.00065677
-0.00236044 0.01355298 -0.03433100
-0.55582226 2.51480909 -7.79495286
-0.00033889 0.00049985 0.00016544
-0.00899070 -0.01304237 -0.00570623
-2.91797971 0.80849629 -8.48136091
0.00092771 -0.00109020 0.00130304
-0.00111160 -0.01100001 -0.01281328
-5.63433034 -2.88943298 -16.43336021
0.00025444 -0.00059414 0.00012928
-0.02028081 0.00021033 -0.01305718
-2.95440796 -2.06530550 -16.77388873
-0.00019815 0.00021547 0.00018923
-0.00523808 0.00150179 0.00275157
12.89909059 18.55858096 -21.33667054
-0.00064669 -0.00046799 0.00046933
0.00711268 0.01243966 0.00309157
11.84947347 16.17509842 -20.57015938
-0.00078666 0.00042850 0.00034862
0.00766099 -0.00786979 0.00364563
-15.19559727 15.44194078 -13.20844982
-0.00073311 0.00002502 -0.00030037
-0.04261348 0.01251781 0.02409784
-18.03702449 14.93675128 -12.48357550
0.00097113 0.00098175 -0.00044900
-0.00581363 -0.01003417 -0.00183855
2.47421136 14.91861539 6.35257389
0.00059268 0.00130174 0.00059525
-0.01065369 -0.00153497 -0.00065846
0.14553274 15.59425312 8.26098415
0.00140617 0.00076613 -0.00032369
0.02993089 -0.03271916 -0.01977383
-6.23519996 -8.37137837 1.48735005
-0.00027984 -0.00071754 -0.00040478
-0.04504045 0.04784400 -0.02039451
-3.45550578 -8.98382314 1.42352900
0.00037803 -0.00033123 0.00074195
-0.00637615 -0.01143998 0.00180449
2.73326107 -4.58551028 2.91395196
-0.00013079 -0.00048653 -0.00086965
-0.02225836 0.09144839 0.02605111
4.63636965 -6.04824317 1.41846866
-0.00027018 0.00065437 -0.00040251
-0.00071051 -0.00451372 0.00349287
9.51420144 5.85665389 4.15111781
-0.00011393 -0.00029451 0.00070276
-0.02042970 0.01138928 -0.00684163
12.35038530 5.88887348 4.74107956
-0.00012091 0.00051968 -0.00029279
-0.00303610 -0.00035032 0.00509811
-7.72382177 -11.31213220 -2.14666286
-0.00011292 -0.00013482 0.00074781
0.02229156 -0.04276525 0.01155618
-10.02174073 -9.54570965 -1.41170552
0.00064056 -0.00040925 0.00034896
-0.00243652 -0.00416254 0.00677284
4.66602665 -17.00926626 -13.35989480
0.00050541 -0.00000382 -0.00155633
-0.02532287 0.02894728 -0.01515961
2.52221404 -16.83417306 -11.67417930
0.00107856 0.00070014 -0.00014307
0.00146684 0.02895806 -0.04052822
5.94232332 -7.02256794 -5.92233477
0.00046119 0.00047713 -0.00097977
0.00374330 0.01412313 -0.00485749
4.96116899 -8.93965847 -3.99975617
-0.00038122 0.00026262 0.00019727
-0.00271308 0.00937611 -0.03842194
17.04835491 1.54408647 24.24043856
0.00024557 0.00053422 0.00054861
-0.00572579 -0.00623936 0.00251672
19.42227970 2.07270683 25.62912627
-0.00047882 0.00094733 -0.00076725
0.00994826 -0.00148143 -0.00162327
-9.42055352 2.96199644 2.11111946
-0.00115261 0.00007782 0.00032829
0.00318249 -0.00419255 0.00182039
-7.81982921 4.97844716 1.08094692
-0.00056407 -0.00016665 -0.00040026
0.01434575 0.00577043 -0.00593748
-6.86459467 14.98719146 -9.61448729
0.00113651 -0.00036345 0.00067873
0.02766665 0.01683761 0.02782812
-9.38585037 13.78048627 -9.71634959
0.00028263 0.00049378 0.00007764
-0.03329958 -0.01424268 0.02183772
0.15706784 11.05356531 -8.07076371
-0.00029147 0.00021085 -0.00025025
-0.00688775 -0.00894991 -0.00274033
2.42105855 12.50213396 -7.94587041
-0.00064685 0.00089852 0.00083267
0.02976320 0.02116315 0.01036967
-10.45137209 8.80640554 -13.77372271
-0.00040291 0.00034647 0.00001754
0.00422807 -0.00458738 0.00921981
-12.79224160 9.81643470 -12.24061988
0.00062492 0.00006693 0.00010427
-0.02721767 -0.00674487 0.06233358
7.22078064 5.93867628 14.75401899
-0.00026902 -0.00048051 -0.00015712
-0.00179248 0.03889470 0.01361914
7.70773208 4.02057816 12.86973566
-0.00108873 0.00172608 -0.00004657
-0.00012825 -0.01602693 0.00708725
-14.06067176 10.56324135 -8.10193493
-0.00020993 0.00100006 0.00070825
0.00554120 0.00871543 0.00472558
-16.37598464 9.34862244 -9.42462894
0.00040381 0.00059396 -0.00015990
-0.01539430 0.00584312 -0.00165575
9.12684171 9.75404491 -1.97988317
-0.00122230 0.00048307 0.00023107
0.00691451 0.00895154 0.00441659
6.59565416 8.94015030 -3.08010964
-0.00003625 0.00027381 -0.00123675
0.05361349 -0.01949964 -0.00400234
11.96787902 -20.55005561 -26.56305179
0.00091387 0.00013788 -0.00004933
0.00208451 0.00105504 0.00217049
13.24580005 -19.81751775 -24.06578272
-0.00050035 0.00063635 0.00007692
0.00556792 0.00415611 0.01953533
5.93801926 4.64210806 2.91424583
-0.00083062 0.00148958 -0.00133711
-0.00413264 -0.03290891 0.00712318
6.61900353 6.59624608 0.97002730
-0.00097582 0.00015222 -0.00066951
0.00175968 0.00369785 -0.00248327
20.42346951 -6.73207012 -5.28108226
-0.00025937 0.00073912 -0.00117320
-0.00205172 0.00070940 -0.00119268
18.14806246 -4.81525205 -5.20194973
-0.00058298 -0.00040279 -0.00011223
0.01498838 -0.01716918 -0.01626698
-3.36447239 0.31386681 -1.44758504
-0.00037254 -0.00087147 0.00107002
0.02818753 0.00078527 -0.01074327
-2.08019667 0.62308276 -4.16099348
0.00078104 0.00097049 -0.00012949
-0.00214523 -0.00127275 0.00567048
3.78334361 -3.29048601 -12.21255487
-0.00009912 -0.00104449 0.00076726
-0.01216869 0.00945256 -0.00606552
0.95492696 -2.59902175 -11.76595210
-0.00042513 0.00056849 0.00125006
-0.03298658 -0.01682133 0.01366399
20.62852531 8.29983383 -6.76140889
-0.00061964 0.00041095 0.00120431
-0.00137452 -0.01404943 -0.01734845
22.40568400 9.00053778 -4.48245350
-0.00112104 -0.00045781 -0.00012566
-0.00248756 -0.01071296 -0.01129880
-7.44574713 4.67527307 9.10168504
-0.00053926 0.00027588 -0.00042084
0.00293911 -0.00648799 0.00222480
-7.34937667 6.50158033 11.34095750
0.00047063 -0.00050836 -0.00070322
-0.01157326 -0.00060810 -0.04121277
-3.06691161 -16.38897362 12.07597953
-0.00055940 0.00033093 -0.00030524
0.01163787 0.00470225 -0.00433117
-4.41093685 -13.98456073 11.83530310
0.00047302 -0.00019671 0.00011294
0.00126362 0.01251184 -0.00230203
7.92652559 0.12929246 -3.15027029
0.00080986 0.00001187 -0.00118498
0.00088696 0.00554966 -0.00876710
7.61327051 2.09972585 -5.52305346
0.00021890 -0.00056951 -0.00010001
0.00310830 -0.00265942 0.00324939
0.87098852 -10.27406038 2.15231930
0.00067489 -0.00077940 -0.00056813
-0.00328350 -0.00459127 -0.01217597
0.66646933 -8.39430134 -0.01699249
-0.00065592 0.00016969 -0.00041797
-0.00013481 0.01436362 -0.00035950
-19.85128052 -1.62279667 6.62836465
0.00025566 0.00046111 0.00065013
-0.00367957 0.00049424 -0.01766377
-20.66151192 0.22203452 4.30741882
-0.00033448 0.00027435 -0.00036984
0.00947672 -0.03866075 0.01025349
-3.56159877 7.81596753 -24.85711105
-0.00011273 -0.00043259 -0.00142102
-0.01420414 0.01366034 0.03084845
-4.32605496 8.73123545 -21.92675279
-0.00091232 0.00037797 0.00009827
0.00241562 -0.01109473 -0.03022464
3.18082985 0.80592252 -1.26713550
0.00056875 0.00060646 0.00045580
0.01304602 0.01650816 0.00450281
0.83739894 1.89566680 -2.02898984
0.00037850 0.00049157 -0.00052030
0.00983116 0.01530853 0.00343177
16.30221334 7.74949280 6.36398448
0.00014023 0.00001787 -0.00053236
-0.01419763 -0.00880324 -0.00870105
15.86083257 9.33435958 4.11315035
-0.00008901 -0.00158715 0.00066918
-0.00038818 0.01922640 -0.01534022
-0.33148902 -11.83171147 -13.48841036
-0.00007561 0.00006079 0.00023043
0.00537324 -0.00751797 0.00409881
-13.92104256 14.58050472 22.05745578
-0.00003796 -0.00009083 0.00013589
0.00332779 -0.00118170 0.00035864
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02881379
0.33298143
443.68105910
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1362682531
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.4333128649 (a.u.)
total exchange computation time: 2.6548719406 s
-154.3342663728
-931.35597889
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1362682531
ExchangeOperator: bisection time: 1.512 s
total exchange = -52.4323405357 (a.u.)
total exchange computation time: 2.6561660767 s
-154.3426387575
Anderson extrapolation: theta=1.3483726856 (1.3483726856)
-931.35625780
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1362682531
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4309216660 (a.u.)
total exchange computation time: 2.6571269035 s
-154.3545436711
Anderson extrapolation: theta=0.0521326862 (0.0521326862)
-931.35642883
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1362682531
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4307636005 (a.u.)
total exchange computation time: 2.6553330421 s
-154.3557288614
Anderson extrapolation: theta=1.8899975277 (1.8899975277)
-931.35643671
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1362682531
ExchangeOperator: bisection time: 1.514 s
total exchange = -52.4304399264 (a.u.)
total exchange computation time: 2.6538989544 s
-154.3581223784
Anderson extrapolation: theta=0.2156494649 (0.2156494649)
-931.35644715
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1362682531
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.4303634727 (a.u.)
total exchange computation time: 2.6534750462 s
-154.3586587393
Anderson extrapolation: theta=1.8538828874 (1.8538828874)
-931.35644992
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1362682531
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4302434372 (a.u.)
total exchange computation time: 2.6555809975 s
-154.3594622230
Anderson extrapolation: theta=0.2852743317 (0.2852743317)
-931.35645476
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1362682531
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.4302322403 (a.u.)
total exchange computation time: 2.6565890312 s
-154.3594957129
Anderson extrapolation: theta=1.3327510380 (1.3327510380)
-931.35645642
-164.387524 49.611679 -205.071308
-134.070166 458.727674 -797.918775
-298.457690 508.339353 -1002.990083
1163.389443
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1362682531
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4302357359 (a.u.)
total exchange computation time: 2.6562070847 s
679.74081371
-1085.87467903
89.79859222
-387.62253316
-174.96841667
79.46865104
551.60419304
0.00000000
-931.35645866
-10.77503519 -4.22649692 6.74869778
-0.00035464 0.00005376 -0.00018843
0.00705499 -0.00347529 0.01042039
-14.20443279 3.47320554 9.50446992
0.00010763 0.00005703 -0.00015908
-0.01637215 0.01911413 0.01929221
-15.97620327 1.24226403 3.54870911
-0.00020779 0.00007233 -0.00008518
0.06278903 0.01713933 0.00691255
2.35477069 -19.78040156 12.84389201
0.00034761 -0.00008642 0.00007238
-0.02280822 -0.01198929 -0.03762418
9.52384119 20.44758449 0.74921945
0.00001756 -0.00016757 0.00054063
0.02201358 0.02186344 -0.01002375
-11.65187243 12.76313146 15.07473804
-0.00062524 -0.00036319 0.00004139
0.02659258 -0.02211828 -0.00307849
-6.40235564 1.59572359 -12.07623719
0.00016542 -0.00013392 -0.00023416
0.00499062 -0.04543162 0.01483588
-7.42462693 7.81207032 -5.89468862
0.00006574 -0.00001904 0.00008078
0.02280219 -0.00623812 -0.00596475
-7.59788349 -4.56222393 17.94574547
-0.00020903 0.00037993 -0.00016309
0.01576374 0.00212344 -0.01993711
-23.38136368 -4.75209459 -22.45913062
-0.00016764 -0.00046412 -0.00004271
-0.00466539 -0.00250627 0.00140651
6.64428003 12.78384911 6.04349489
0.00000340 0.00001247 0.00014468
0.01003392 -0.02196610 0.01413015
24.63478473 30.31082188 -2.74640473
0.00004672 0.00019868 -0.00036669
0.01816662 -0.02813668 0.00601318
7.90230118 -1.31952017 -14.26386218
0.00005538 0.00002451 -0.00050200
0.00147913 0.00594284 -0.00557174
-7.08059138 -0.87593811 14.28392972
-0.00026324 -0.00008851 0.00015779
-0.00554815 -0.00304599 0.03271685
-1.98154026 -26.19533681 11.30122955
-0.00000207 -0.00011977 -0.00000049
0.00411196 -0.00088761 0.00404570
-14.31850848 -4.68249860 -7.11833561
0.00026015 0.00012457 0.00018530
0.00718178 0.00260145 -0.00156633
-19.98062389 -12.44206777 -17.90287386
-0.00018982 -0.00004017 0.00004770
-0.01684578 -0.02937990 -0.01017094
22.58833800 3.61874757 3.13915652
0.00015293 -0.00014060 -0.00014432
0.00972618 0.01653398 -0.02461589
17.81105887 -9.96403203 -14.34103903
-0.00014360 -0.00025673 0.00005125
0.03889879 -0.02830090 -0.00042466
-2.26644428 1.97349272 -7.28341734
0.00034505 -0.00021259 0.00026097
0.00626927 0.02254836 0.02257023
-4.05117307 -3.00534358 -15.63446738
-0.00022556 -0.00006485 -0.00003084
0.02360397 -0.00196082 0.01365563
13.42404308 17.13958686 -20.31803270
0.00004870 0.00024692 0.00036846
-0.01762824 -0.01154582 -0.00317669
-16.64613018 16.03563242 -12.05516319
0.00056712 -0.00004038 -0.00014037
0.04843472 0.00633371 -0.01277245
1.30582435 14.19252503 7.57593438
0.00055448 0.00014823 -0.00006993
-0.02066181 0.04057474 0.01536508
-5.12915959 -9.57024922 2.01809582
-0.00027064 0.00000813 0.00008192
0.05860339 -0.04173263 0.02560959
3.11056345 -6.16344202 2.44094248
-0.00015124 -0.00050520 0.00017508
0.03236989 -0.08907051 -0.02398605
10.84485385 4.81202678 4.73672053
-0.00007389 0.00012634 -0.00041607
0.03293075 -0.01335171 0.00553747
-8.55883459 -9.80712496 -2.46522170
0.00008380 0.00027721 -0.00048620
-0.01833034 0.04611235 -0.02248201
3.06724411 -15.93001532 -13.33231383
0.00008954 -0.00012532 0.00027844
0.02496704 -0.05518047 0.05065916
4.85974230 -8.47910533 -5.84689261
0.00001603 0.00004224 0.00042383
-0.00590736 -0.01835019 0.04692709
18.52733619 0.65462247 24.90322241
0.00015963 0.00023121 -0.00027454
-0.00941665 0.00789200 0.00052227
-7.98155803 3.16673653 0.97166250
-0.00036531 -0.00007662 0.00007048
-0.01991902 0.00073494 0.01962709
-7.98350186 14.21077840 -10.70607685
0.00015441 -0.00008317 0.00027743
0.01632429 0.00175711 -0.04825010
1.64947924 11.35851280 -9.07929704
0.00015056 -0.00009085 0.00011933
-0.01806912 -0.00795533 -0.00925040
-11.93176151 9.84922477 -13.74066384
0.00027274 0.00027986 -0.00015893
0.01982001 0.01293429 -0.07497268
7.37769019 4.18110660 14.70143334
-0.00031366 -0.00001365 0.00018491
0.00010009 -0.01441729 -0.02915190
-14.58805520 9.51568012 -9.49526774
-0.00005704 -0.00035044 0.00027587
0.00830609 -0.01291722 0.00400772
8.50897023 8.44503795 -3.06758382
0.00017101 -0.00036343 -0.00020476
-0.06522008 0.01168861 0.00371766
13.61222256 -20.35586647 -25.74954267
0.00016891 -0.00005348 0.00009088
-0.00536400 -0.01266013 -0.03275340
6.31179056 6.38957485 2.75302393
0.00016079 0.00017158 0.00002892
0.00111224 0.03774908 -0.01146895
19.29604960 -5.78469331 -6.36070504
-0.00007132 -0.00004680 -0.00029408
-0.02372901 0.01903455 0.01638919
-1.73507290 0.14159358 -2.38035029
0.00003093 -0.00011893 -0.00025555
-0.02846003 0.00281240 -0.00368979
2.44753506 -1.95549744 -12.49677529
-0.00013661 0.00023459 0.00015679
0.04402127 -0.00277505 -0.00155283
20.74375157 9.27239738 -5.26412228
-0.00031540 0.00012287 -0.00000027
-0.01789637 0.02301644 0.02269194
-7.49705797 6.48583912 9.42810010
0.00013627 -0.00003140 0.00003142
-0.00404923 0.00735981 0.04489621
-2.70539168 -14.60566744 11.73347022
0.00004970 0.00004020 -0.00042461
-0.00154855 -0.01656627 0.00951002
8.18674657 0.42648646 -4.94478114
-0.00022374 0.00027855 0.00003624
0.00959871 -0.02498102 0.00531657
0.00260724 -9.98775016 0.52809296
-0.00004065 -0.00009116 0.00002215
-0.00017954 -0.01292757 0.00304149
-20.00984282 -1.55976172 4.71719691
-0.00015183 0.00020828 0.00007660
-0.01692256 0.04436530 0.00651848
-4.77450839 7.64466707 -23.39402939
0.00025715 0.00002551 -0.00023971
0.01278689 0.00375278 -0.00173532
2.59322707 2.52578511 -1.56718819
-0.00003547 -0.00047370 0.00046148
-0.02433544 -0.02113529 -0.00896215
15.51218447 7.66641061 4.67967123
0.00001556 -0.00016276 0.00004399
0.00655213 -0.01995202 0.01749198
-9.33215243 -5.14341817 7.38516670
0.00069266 0.00051915 0.00053231
-0.00428928 -0.00188715 -0.00270091
-10.58789402 -4.05409081 4.93675693
-0.00036009 0.00099382 0.00047072
0.00693244 -0.00334028 -0.00122764
-13.16305655 4.92314074 9.21815357
0.00044458 -0.00066575 -0.00064449
0.00811310 0.00501945 -0.00874157
-13.44829330 2.06700426 8.68320935
0.00022728 -0.00059059 -0.00004899
0.01202163 -0.01095532 -0.01334384
-14.54754593 0.79860826 4.73519559
-0.00020729 0.00109167 0.00026765
-0.03289895 0.01066230 -0.01306099
-17.22429860 0.01377400 3.90852053
0.00085883 0.00050523 -0.00000080
-0.02349834 -0.02348825 0.00903071
2.26339091 -21.23398238 11.60696728
0.00080906 -0.00018754 -0.00027059
0.00639462 0.01869245 0.01922268
3.56811442 -20.22529965 14.06196570
-0.00115671 0.00038977 -0.00008537
0.02233000 -0.00342188 0.01633734
8.77052867 18.80980845 0.52336333
0.00037053 -0.00010389 0.00056555
-0.01719361 -0.00290458 0.00677570
8.59537546 21.73965551 1.70652923
0.00081337 0.00051020 0.00051550
-0.01126734 -0.02045930 -0.00769805
-10.38959854 12.44155952 16.39596690
-0.00084258 -0.00049884 -0.00037496
-0.00937508 0.00319481 -0.00127631
-12.56147193 14.23355333 15.51197453
0.00012794 -0.00047523 0.00080379
-0.00931099 0.02377880 0.00744469
-5.93529029 0.13297876 -13.17310222
0.00074206 -0.00017928 -0.00014200
-0.00457782 0.02542148 0.01275781
-6.67150365 0.69892660 -10.32944966
0.00008326 0.00002977 -0.00030850
-0.00130583 0.02145744 -0.03712943
-6.68527010 6.54232667 -4.78202054
-0.00022889 0.00007740 -0.00056846
-0.00816293 0.00724942 -0.00560151
-9.18697528 7.63088360 -5.67688235
0.00041766 0.00041902 0.00048693
-0.02075741 -0.00371300 0.00267057
-8.72487381 -3.49705700 18.82256775
0.00061403 -0.00030435 -0.00007471
-0.01247035 0.00971331 0.01465626
-7.72168366 -6.23121389 18.62590545
0.00025839 0.00083081 -0.00041823
-0.00491874 -0.01514188 0.00873264
-23.29894856 -3.28020073 -23.57040768
0.00053519 0.00025273 -0.00041699
-0.00422316 0.00199577 0.01470629
-23.63167059 -4.21781457 -20.70595481
0.00091600 -0.00081663 0.00003044
0.00313305 0.00329438 -0.02138731
6.93002867 13.26543198 4.34394108
-0.00032981 -0.00032558 -0.00019497
0.00052487 0.01206130 -0.02276348
8.02642507 11.55041077 6.33253241
-0.00023509 0.00054836 -0.00068059
-0.00756576 0.00776288 0.00909759
24.42195135 28.63250623 -1.95977299
0.00015573 0.00026297 0.00004593
0.00560011 0.01527667 -0.01317431
23.82372648 31.46845144 -1.63427115
0.00001455 -0.00043978 -0.00061030
-0.00694335 0.01945211 0.02405574
9.29699412 -2.48237867 -13.91853961
0.00076487 0.00014068 -0.00115043
0.00050427 -0.00002076 -0.00632028
7.21929042 -0.69205196 -12.72938896
0.00091490 0.00065588 0.00071534
-0.00705122 -0.00324052 0.01229589
-7.25582347 -0.39828120 16.07455775
-0.00092639 -0.00091817 -0.00046309
0.01320989 0.02599257 -0.00830930
-8.00906775 -2.39366164 14.58735790
-0.00067987 0.00137917 -0.00030913
-0.00430276 -0.02236306 -0.01979870
-2.59968100 -26.87605832 12.93631376
0.00009595 0.00025575 0.00099856
0.00651236 0.00258458 -0.00832864
-3.29335840 -26.08968012 10.04098616
0.00084708 0.00050469 -0.00016615
-0.00140507 0.00075027 -0.00144606
-13.69103438 -3.05163332 -6.56243386
-0.00047548 0.00009953 0.00032059
-0.00717848 0.00456851 0.00242168
-15.00846970 -4.47748277 -8.79593745
-0.00013458 0.00016131 0.00015945
-0.00101281 -0.00381550 -0.00240331
-18.62901762 -11.78539548 -16.99643068
-0.00089835 -0.00026395 0.00039159
0.03140548 0.04517370 0.03403459
-18.93107100 -13.88930120 -18.31114213
0.00075545 -0.00009363 0.00053015
-0.00614216 -0.01381870 -0.01693342
22.98559305 3.79209699 1.32106357
0.00094460 -0.00000672 -0.00001979
-0.00497161 -0.02618089 0.00778427
23.24010678 5.26609875 3.51743479
-0.00026248 0.00017139 -0.00033200
-0.00189837 0.00585207 0.02733560
16.49205484 -9.33429644 -13.37713155
0.00003332 -0.00129532 0.00017910
-0.03776190 0.01492339 0.02971927
17.67154687 -9.22350222 -15.94465510
-0.00043732 -0.00092393 -0.00078893
-0.00275687 0.01202576 -0.03035848
-0.56118107 2.52190717 -7.79264604
-0.00037082 0.00044741 0.00014034
-0.00664061 -0.01262819 -0.00658395
-2.90409807 0.79180620 -8.46220798
0.00092161 -0.00113859 0.00124707
-0.00187621 -0.01268537 -0.01458091
-5.63113518 -2.89833862 -16.43182118
0.00016356 -0.00059291 0.00007157
-0.02420629 0.00038975 -0.01519220
-2.95754064 -2.06202739 -16.77096597
-0.00021971 0.00022140 0.00020046
-0.00532030 0.00139967 0.00274775
12.88960818 18.55194223 -21.32953590
-0.00061793 -0.00041047 0.00047806
0.00696843 0.01572018 0.00118412
11.83790829 16.18128472 -20.56481830
-0.00074826 0.00039859 0.00036557
0.01113548 -0.00677208 0.00465031
-15.20789976 15.44269971 -13.21221686
-0.00089763 0.00007454 -0.00020696
-0.03792129 0.01171858 0.02162351
-18.02263574 14.95117005 -12.49036685
0.00093600 0.00093247 -0.00045843
-0.01137915 -0.01408952 -0.00277791
2.48277516 14.93809439 6.36148251
0.00054991 0.00129262 0.00059170
-0.01028273 -0.00292663 -0.00108192
0.16754240 15.60474242 8.25552288
0.00152476 0.00063235 -0.00040195
0.02812174 -0.03276526 -0.01853426
-6.24077774 -8.38067543 1.48065344
-0.00046597 -0.00051834 -0.00049072
-0.04607106 0.04966560 -0.02167603
-3.45003070 -8.98914219 1.43471357
0.00034804 -0.00037790 0.00074941
-0.00830532 -0.01140610 0.00184872
2.73061720 -4.59000597 2.90170548
-0.00022424 -0.00011000 -0.00076236
-0.02348815 0.09286572 0.02646642
4.63229520 -6.03856596 1.41253798
-0.00027618 0.00063343 -0.00038624
-0.00222970 -0.00573416 0.00447265
9.51186642 5.85258525 4.16144954
-0.00020427 -0.00024256 0.00067167
-0.02379234 0.01404059 -0.00837847
12.34847857 5.89665791 4.73684389
-0.00013542 0.00051651 -0.00027203
-0.00406611 -0.00120171 0.00506499
-7.72483250 -11.31546498 -2.13509154
-0.00002577 -0.00029923 0.00079183
0.02036880 -0.03771494 0.00999027
-10.01220706 -9.55197601 -1.40626361
0.00062922 -0.00042393 0.00037624
-0.00311147 -0.00302099 0.00658304
4.67283177 -17.00843657 -13.38370421
0.00039871 0.00011526 -0.00161541
-0.02690378 0.02934225 -0.01376280
2.53843739 -16.82278360 -11.67756724
0.00108222 0.00081325 -0.00030089
0.00032456 0.02640815 -0.03672415
5.94935582 -7.01497818 -5.93718022
0.00047029 0.00052595 -0.00099677
0.00071253 0.00977520 -0.00346298
4.95536753 -8.93543192 -3.99797448
-0.00039081 0.00030155 0.00004401
-0.00197895 0.00968150 -0.03660058
17.05186300 1.55190860 24.24874476
0.00021811 0.00050813 0.00055649
-0.00771385 -0.00653104 0.00134171
19.41540231 2.08687144 25.61756779
-0.00043622 0.00093919 -0.00077327
0.01090392 -0.00250449 -0.00132320
-9.43774517 2.96303523 2.11609966
-0.00113130 0.00006253 0.00032960
0.00725137 -0.00328900 -0.00118261
-7.82785062 4.97612427 1.07476110
-0.00050556 -0.00014127 -0.00042417
0.01429319 0.00665206 -0.00576781
-6.84669928 14.98225570 -9.60345359
0.00123840 -0.00030261 0.00078188
0.02221275 0.01294495 0.02266486
-9.38263140 13.78745649 -9.71451584
0.00014295 0.00043493 0.00016979
-0.03507454 -0.01456357 0.02327274
0.15248479 11.05645381 -8.07460142
-0.00031809 0.00017395 -0.00026287
-0.00614717 -0.00911251 -0.00343547
2.41226785 12.51626034 -7.93306255
-0.00053051 0.00097613 0.00086645
0.02718726 0.01682455 0.00616382
-10.45728621 8.81146209 -13.77317702
-0.00037746 0.00032252 0.00005438
0.00823086 -0.00713785 0.00881351
-12.78370183 9.81723200 -12.23714570
0.00051495 0.00003985 0.00035538
-0.02661458 -0.00651313 0.06058596
7.21669035 5.93266049 14.75207945
-0.00027756 -0.00031251 -0.00009800
-0.00238736 0.04334134 0.01532198
7.69139727 4.04597824 12.86925429
-0.00108841 0.00165665 -0.00001858
0.00028465 -0.01796128 0.00661451
-14.06365098 10.57850939 -8.09116639
-0.00019093 0.00102596 0.00071485
0.00375970 0.00396200 -0.00149529
-16.37039915 9.35771086 -9.42707821
0.00033125 0.00061663 -0.00016684
-0.02012625 0.00525722 -0.00174108
9.10871915 9.76156529 -1.97628182
-0.00119469 0.00051466 0.00024543
0.00660049 0.00651033 0.00261552
6.59675330 8.94365993 -3.09878351
0.00018418 0.00019188 -0.00125318
0.05429007 -0.02060704 -0.00403942
11.98165089 -20.54795505 -26.56372516
0.00091455 0.00014150 -0.00004488
-0.00175109 0.00071391 0.00000487
13.23846546 -19.80784520 -24.06403031
-0.00047590 0.00065138 0.00015176
0.00639787 0.00320441 0.01710138
5.92543325 4.66344340 2.89440751
-0.00085233 0.00133561 -0.00130437
-0.00649003 -0.04246219 0.00890336
6.60442022 6.59864276 0.95990858
-0.00096884 0.00016867 -0.00067212
0.00165350 0.00435407 0.00120525
20.41951604 -6.72096162 -5.29871684
-0.00025684 0.00073301 -0.00116789
0.00329135 -0.00369879 0.00379416
18.13977702 -4.82182002 -5.20413161
-0.00052020 -0.00047346 -0.00018015
0.01574430 -0.01742190 -0.01698033
-3.36919674 0.30081875 -1.43186400
-0.00024840 -0.00086813 0.00101829
0.03258045 0.00085162 -0.01457543
-2.06854685 0.63760110 -4.16276201
0.00076934 0.00096461 -0.00010551
-0.00357855 -0.00160691 0.00606609
3.78148386 -3.30586370 -12.20123177
-0.00015482 -0.00099736 0.00074003
-0.01509438 0.01361949 -0.00726572
0.94753923 -2.59100988 -11.74678252
-0.00055170 0.00050385 0.00130093
-0.02897334 -0.01481982 0.01124036
20.61918855 8.30556761 -6.74387589
-0.00062685 0.00034273 0.00111644
-0.00215549 -0.01934560 -0.02566244
22.38879210 8.99334237 -4.48468460
-0.00112268 -0.00050186 -0.00016757
0.00168852 -0.01084860 -0.00921829
-7.45374599 4.67921241 9.09544054
-0.00052701 0.00024662 -0.00041271
0.00305638 -0.00783228 0.00175613
-7.34267183 6.49393626 11.32914629
0.00042376 -0.00051014 -0.00086280
-0.01137049 -0.00026012 -0.03690361
-3.07494596 -16.38386553 12.07126821
-0.00051058 0.00034718 -0.00032291
0.01225810 0.00324854 -0.00431816
-4.40380276 -13.98712801 11.83692665
0.00047126 -0.00014141 0.00010360
-0.00212849 0.01455925 -0.00227069
7.93870072 0.12964054 -3.16831370
0.00080999 0.00003235 -0.00120105
-0.00082674 0.00447717 0.00090270
7.61664924 2.09110173 -5.52445397
0.00022791 -0.00057066 -0.00008889
0.00130398 0.00209533 0.00219256
0.88101128 -10.28589206 2.14342421
0.00066210 -0.00079677 -0.00061673
-0.00298059 -0.00391222 -0.01161151
0.65662647 -8.39131590 -0.02327306
-0.00065707 0.00022572 -0.00041753
-0.00043149 0.01306767 0.00057441
-19.84755844 -1.61586486 6.63757539
0.00023946 0.00046338 0.00057208
-0.00424904 0.00061496 -0.02054557
-20.66623878 0.22496506 4.30218548
-0.00029460 0.00011500 -0.00032674
0.01004588 -0.03934080 0.01084047
-3.56372499 7.80989726 -24.87748107
-0.00017330 -0.00037498 -0.00128803
-0.01544587 0.01454226 0.03425165
-4.33966571 8.73656503 -21.92620487
-0.00090031 0.00033231 -0.00002808
0.00346146 -0.01125746 -0.03162537
3.18976093 0.81552523 -1.26016058
0.00062391 0.00066271 0.00047595
0.01395120 0.01102988 0.00536057
0.84337773 1.90350942 -2.03668920
0.00041615 0.00055047 -0.00050575
0.00859933 0.01352614 0.00368954
16.30388169 7.74949103 6.35573249
0.00008470 -0.00001949 -0.00056109
-0.01298209 -0.00948421 -0.00536317
15.85948547 9.31114147 4.12271793
-0.00008621 -0.00148299 0.00059621
0.00176244 0.03176250 -0.02037936
-0.33260874 -11.83081983 -13.48494297
-0.00007368 0.00005814 0.00023187
0.00542446 -0.00725450 0.00397244
-13.92160620 14.57914023 22.05949479
-0.00003718 -0.00009110 0.00013598
0.00339175 -0.00114523 0.00040529
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02878576
0.32767290
436.60770873
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.4449037844 (a.u.)
total exchange computation time: 2.7267827988 s
-154.3767691362
-931.35168529
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.4437326952 (a.u.)
total exchange computation time: 2.7272830009 s
-154.3867556186
Anderson extrapolation: theta=1.3616147669 (1.3616147669)
-931.35197531
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.4420339166 (a.u.)
total exchange computation time: 2.7286911011 s
-154.4009249034
Anderson extrapolation: theta=0.0570964905 (0.0570964905)
-931.35215283
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.602 s
total exchange = -52.4418592369 (a.u.)
total exchange computation time: 2.7265748978 s
-154.4022430327
Anderson extrapolation: theta=2.0122320638 (2.0000000000)
-931.35216083
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.4414962813 (a.u.)
total exchange computation time: 2.7295119762 s
-154.4049493129
Anderson extrapolation: theta=0.2346819684 (0.2346819684)
-931.35217052
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.4414155232 (a.u.)
total exchange computation time: 2.7276229858 s
-154.4055237027
Anderson extrapolation: theta=1.7527126823 (1.7527126823)
-931.35217267
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.601 s
total exchange = -52.4413029005 (a.u.)
total exchange computation time: 2.7283899784 s
-154.4062855740
Anderson extrapolation: theta=0.2843891329 (0.2843891329)
-931.35217550
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.4412988527 (a.u.)
total exchange computation time: 2.7284870148 s
-154.4062689629
Anderson extrapolation: theta=1.2812334291 (1.2812334291)
-931.35217628
-164.365175 49.661775 -160.684381
-134.063265 458.782518 -797.954275
-298.428440 508.444294 -958.638656
1125.416903
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.4413134713 (a.u.)
total exchange computation time: 2.7282178402 s
679.91445408
-1086.25311539
89.78993145
-387.36340053
-174.99873319
79.68012158
551.60419304
0.00000000
-931.35217705
-10.78032757 -4.22570399 6.74591158
-0.00034992 0.00005106 -0.00018129
0.01130284 -0.00700666 0.01731207
-14.20288155 3.47413474 9.50215816
0.00009941 0.00006550 -0.00014981
-0.01558196 0.01381508 0.01674849
-15.97907797 1.24341504 3.54745815
-0.00017416 0.00008270 -0.00008207
0.06798984 0.02321712 0.00515457
2.35989680 -19.78174415 12.84483258
0.00033395 -0.00009209 0.00005081
-0.03028152 -0.01005479 -0.04625849
9.52418949 20.44515522 0.75729020
0.00002924 -0.00015591 0.00053551
0.02340877 0.02349375 -0.00987665
-11.66114850 12.75759826 15.07534695
-0.00061190 -0.00037465 0.00003932
0.02529198 -0.02245580 -0.00494533
-6.39985510 1.59353953 -12.07969242
0.00016802 -0.00015729 -0.00022668
0.00512022 -0.04544036 0.01426509
-7.42355288 7.81176060 -5.89349997
0.00007765 -0.00002150 0.00007696
0.02350983 -0.00329805 -0.00886898
-7.60095810 -4.55651675 17.94322222
-0.00019966 0.00038072 -0.00017467
0.02066517 0.00095495 -0.02509365
-23.38389632 -4.75906611 -22.45976592
-0.00016987 -0.00046446 -0.00004328
-0.00399108 0.00120570 -0.00362313
6.64436973 12.78395143 6.04571959
0.00000796 0.00000200 0.00015114
0.00768371 -0.01874443 0.01099359
24.63555556 30.31369359 -2.75188195
0.00005640 0.00018335 -0.00036408
0.01948341 -0.03150428 0.00416594
7.90313759 -1.31912954 -14.27141371
0.00005565 0.00002808 -0.00050301
-0.00042575 0.00790608 0.00166838
-7.08456139 -0.87727748 14.28642278
-0.00026499 -0.00008858 0.00017318
-0.00125368 0.00275516 0.02713393
-1.98155552 -26.19713676 11.30123786
0.00000069 -0.00012047 0.00000311
0.00664903 -0.00185732 0.00994757
-14.31457855 -4.68061995 -7.11556220
0.00026348 0.00012551 0.00018398
0.00575675 0.00102198 -0.00354144
-19.98353615 -12.44278361 -17.90219760
-0.00019849 -0.00005635 0.00004182
-0.01685689 -0.03356323 -0.01269858
22.59066953 3.61670232 3.13689682
0.00015813 -0.00013177 -0.00015698
0.01046714 0.01781497 -0.02461267
17.80905496 -9.96799211 -14.34027189
-0.00012285 -0.00027110 0.00004939
0.04178923 -0.02759975 -0.00681030
-2.26124440 1.97039082 -7.27941574
0.00034773 -0.00020082 0.00027305
0.00415168 0.02322961 0.02440840
-4.05446537 -3.00632390 -15.63487733
-0.00021262 -0.00006583 -0.00002338
0.02670161 -0.00185375 0.01535051
13.42470563 17.14324615 -20.31251804
0.00003891 0.00023996 0.00036700
-0.02046806 -0.01553420 -0.00252056
-16.63743662 16.03505114 -12.05731800
0.00059187 -0.00003592 -0.00014582
0.04781865 0.01100587 -0.00842295
1.31406185 14.19490496 7.57494467
0.00054431 0.00016921 -0.00006235
-0.01887232 0.04101285 0.01413786
-5.13299317 -9.57028826 2.01942347
-0.00024042 -0.00001322 0.00009515
0.05892622 -0.04128460 0.02581401
3.10841970 -6.17136366 2.44347619
-0.00013429 -0.00054961 0.00016286
0.03355946 -0.08362394 -0.02353586
10.84387248 4.81387031 4.73050089
-0.00005604 0.00011911 -0.00041294
0.03649995 -0.01474035 0.00662112
-8.55764825 -9.80278888 -2.47260140
0.00007527 0.00029890 -0.00049711
-0.01484262 0.03823282 -0.01993444
3.06868347 -15.93210797 -13.32794181
0.00010303 -0.00015287 0.00030286
0.02751281 -0.05195939 0.04429955
4.85995995 -8.47854251 -5.84035420
0.00001359 0.00003402 0.00044683
-0.00358103 -0.01361990 0.04254456
18.52969438 0.65812104 24.89910632
0.00015502 0.00023552 -0.00027407
-0.00853819 0.00887306 0.00129039
-7.98711447 3.16559002 0.97279540
-0.00037647 -0.00007657 0.00008122
-0.02348518 -0.00054762 0.02213499
-7.98112268 14.20953757 -10.70210150
0.00016448 -0.00008122 0.00025397
0.02282089 0.00584221 -0.04298268
1.65166787 11.35711938 -9.07754278
0.00014181 -0.00009369 0.00011594
-0.01595113 -0.00310835 -0.00392544
-11.92759397 9.85347255 -13.74333693
0.00028138 0.00028709 -0.00019615
0.01379937 0.01519841 -0.06978263
7.37298562 4.18084626 14.70409450
-0.00031358 -0.00002123 0.00016964
0.00023624 -0.01505984 -0.03022662
-14.58887875 9.51037368 -9.49111416
-0.00005126 -0.00035586 0.00027943
0.01416325 -0.00816301 0.00979747
8.51128375 8.43963163 -3.07064092
0.00013769 -0.00035645 -0.00020228
-0.06432605 0.01543162 0.00592065
13.61473555 -20.35671751 -25.74830584
0.00016695 -0.00005958 0.00007540
-0.00228238 -0.01106078 -0.02744224
6.31420668 6.39229412 2.75341354
0.00016192 0.00019296 0.00002174
0.00330639 0.04539273 -0.01644793
19.29488827 -5.78532193 -6.36505298
-0.00008504 -0.00003585 -0.00028688
-0.02962919 0.02355063 0.01160347
-1.73471867 0.13982047 -2.38419773
0.00001573 -0.00011755 -0.00025664
-0.03067933 0.00254095 -0.00057171
2.44565566 -1.95198932 -12.49442945
-0.00011455 0.00023160 0.00015696
0.04177785 -0.00885313 0.00223901
20.73895158 9.27432928 -5.26403878
-0.00032545 0.00013603 0.00001277
-0.02121125 0.02812251 0.02799565
-7.49502953 6.48539651 9.42874452
0.00013408 -0.00002746 0.00005316
-0.00445930 0.00794560 0.03966139
-2.70465217 -14.60512837 11.72713769
0.00004958 0.00003161 -0.00041978
0.00107180 -0.01683815 0.00928871
8.18342752 0.43056838 -4.94421706
-0.00021795 0.00026468 0.00003669
0.01290912 -0.02897462 -0.00357386
0.00199677 -9.98916741 0.52843694
-0.00004081 -0.00009752 0.00002329
-0.00043492 -0.01179254 0.00139484
-20.01218560 -1.55646647 4.71837101
-0.00016047 0.00023091 0.00008047
-0.01665361 0.04365974 0.00855000
-4.77060182 7.64506416 -23.39763176
0.00026364 0.00002722 -0.00024103
0.01245424 0.00289479 -0.00337846
2.59260119 2.51859805 -1.56030059
-0.00004779 -0.00048255 0.00045666
-0.02359507 -0.01326396 -0.00977185
15.51244319 7.66389218 4.68039858
0.00001800 -0.00017597 0.00005329
0.00293553 -0.03139745 0.01866076
-9.32189401 -5.13568872 7.39306856
0.00066478 0.00051799 0.00051568
-0.00935483 0.00131976 -0.00543924
-10.59308295 -4.03928582 4.94378013
-0.00032996 0.00098043 0.00045738
0.00781465 -0.00321349 -0.00530344
-13.15613923 4.91330831 9.20821840
0.00048032 -0.00064098 -0.00068046
0.00938139 0.00710681 -0.00886545
-13.44451573 2.05780964 8.68206560
0.00027202 -0.00062852 -0.00009920
0.00987700 -0.00760797 -0.01123263
-14.55166347 0.81531003 4.73881018
-0.00034096 0.00113433 0.00021444
-0.03253269 0.01022254 -0.01298746
-17.21213621 0.02063276 3.90878527
0.00075133 0.00039792 0.00003932
-0.02912472 -0.02904150 0.01060973
2.27572272 -21.23622269 11.60349742
0.00083505 -0.00010938 -0.00019032
0.00632963 0.01956736 0.02007365
3.55144810 -20.21955798 14.06118584
-0.00105001 0.00036985 -0.00000272
0.02989941 -0.00632754 0.02411933
8.77555981 18.80816112 0.53205418
0.00029799 -0.00011766 0.00059349
-0.01831471 -0.00383518 0.00690385
8.60723067 21.74668162 1.71402587
0.00076643 0.00042488 0.00048377
-0.01170893 -0.02130862 -0.00783589
-10.40252454 12.43417485 16.39030341
-0.00087642 -0.00048796 -0.00037636
-0.00718866 0.00212817 0.00058917
-12.55983814 14.22715357 15.52425954
0.00008732 -0.00037496 0.00083454
-0.01057186 0.02530479 0.00760630
-5.92429970 0.13106855 -13.17484128
0.00072291 -0.00007502 -0.00008951
-0.00479307 0.02561362 0.01293848
-6.67029477 0.70003072 -10.33521494
0.00007809 0.00011699 -0.00045926
-0.00122461 0.02123392 -0.03666923
-6.68895364 6.54370985 -4.79071912
-0.00025828 0.00010085 -0.00058583
-0.00622417 0.00422605 -0.00290190
-9.18134653 7.63705507 -5.66949652
0.00032744 0.00040381 0.00049825
-0.02340269 -0.00373085 0.00287065
-8.71604547 -3.50132453 18.82189616
0.00055358 -0.00025486 -0.00000683
-0.01712293 0.01450772 0.01857151
-7.71795848 -6.21921575 18.61989958
0.00023795 0.00076116 -0.00037956
-0.00508743 -0.01894963 0.01019635
-23.29105015 -3.27634860 -23.57621196
0.00051725 0.00025224 -0.00034984
-0.00455811 -0.00223815 0.01816418
-23.61783456 -4.22996302 -20.70615365
0.00092818 -0.00080175 -0.00005397
0.00282792 0.00398747 -0.01993040
6.92509763 13.26091782 4.34031900
-0.00032932 -0.00027662 -0.00028430
-0.00028373 0.01190828 -0.02096555
8.02266682 11.55887401 6.32260226
-0.00025983 0.00057396 -0.00064049
-0.00454238 0.00476865 0.01053443
24.42445890 28.63691895 -1.95948777
0.00017912 0.00032563 -0.00000889
0.00584830 0.01539341 -0.01366168
23.82373195 31.46245088 -1.64268856
-0.00001746 -0.00035421 -0.00050760
-0.00872558 0.02243272 0.02622004
9.30848256 -2.48026905 -13.93598966
0.00076409 0.00014272 -0.00117658
-0.00088498 0.00101734 -0.00648198
7.23279792 -0.68231300 -12.71828201
0.00089234 0.00063636 0.00075158
-0.00399573 -0.00631430 0.00544022
-7.26931452 -0.41125731 16.06735681
-0.00087119 -0.00080715 -0.00048645
0.01380920 0.02835526 -0.00312815
-8.01939761 -2.37365942 14.58211420
-0.00070727 0.00127113 -0.00038989
-0.00911047 -0.03052361 -0.01973115
-2.59804219 -26.87214294 12.95103695
0.00012373 0.00026868 0.00095682
0.00708669 0.00374641 -0.01210155
-3.28069526 -26.08208679 10.03844953
0.00083511 0.00050748 -0.00017607
-0.00445301 0.00061536 -0.00340902
-13.69838658 -3.05000031 -6.55755083
-0.00050356 0.00012144 0.00033167
-0.00656617 0.00615319 0.00300545
-15.01051944 -4.47518005 -8.79361937
-0.00013722 0.00014559 0.00015212
-0.00028040 -0.00387938 -0.00118624
-18.64153049 -11.78797048 -16.98951384
-0.00076597 -0.00007602 0.00053466
0.03339345 0.04681759 0.03599564
-18.91992747 -13.89112914 -18.30370878
0.00072627 -0.00014508 0.00046187
-0.00814221 -0.01136311 -0.01648836
22.99960967 3.79119392 1.32100522
0.00092385 -0.00011461 0.00001175
-0.00518324 -0.02663294 0.00765665
23.23611142 5.26884890 3.51329250
-0.00027134 0.00019403 -0.00022010
-0.00243887 0.00523080 0.02743930
16.49139744 -9.35326888 -13.37353435
-0.00012618 -0.00123159 0.00030266
-0.04031159 0.01627112 0.03076368
17.66490263 -9.23699262 -15.95741929
-0.00044925 -0.00087882 -0.00090248
-0.00308458 0.01005686 -0.02522835
-0.56694686 2.52823132 -7.79074273
-0.00039266 0.00039697 0.00011158
-0.00405116 -0.01206395 -0.00749501
-2.89033142 0.77433866 -8.44394867
0.00091308 -0.00119263 0.00118531
-0.00229799 -0.01376955 -0.01565315
-5.62942352 -2.90722038 -16.43121323
0.00005874 -0.00059116 0.00000617
-0.02710263 0.00046967 -0.01681977
-2.96099939 -2.05866351 -16.76787481
-0.00024149 0.00022705 0.00021148
-0.00534136 0.00136862 0.00264376
12.88055284 18.54626693 -21.32232869
-0.00058978 -0.00034019 0.00047932
0.00680703 0.01867893 -0.00057008
11.82702556 16.18705598 -20.55919222
-0.00069631 0.00037291 0.00038641
0.01429865 -0.00579771 0.00555129
-15.22252631 15.44417683 -13.21465868
-0.00104084 0.00012002 -0.00012532
-0.03218068 0.01054668 0.01833843
-18.00894438 14.96472534 -12.49732846
0.00087878 0.00086743 -0.00047145
-0.01663409 -0.01774884 -0.00359356
2.49070877 14.95739402 6.37032483
0.00050885 0.00127781 0.00058620
-0.00981832 -0.00432281 -0.00160743
0.19127554 15.61322366 8.24892573
0.00163455 0.00050003 -0.00047432
0.02562210 -0.03200539 -0.01689462
-6.24917903 -8.38692867 1.47262839
-0.00065119 -0.00031700 -0.00057950
-0.04459456 0.04889317 -0.02177910
-3.44506462 -8.99516028 1.44601144
0.00031085 -0.00042408 0.00075673
-0.00989988 -0.01119937 0.00173092
2.72653382 -4.58881028 2.89108104
-0.00031989 0.00026124 -0.00065657
-0.02333399 0.08885654 0.02532008
4.62808411 -6.02924018 1.40688141
-0.00028795 0.00060760 -0.00036619
-0.00352938 -0.00691130 0.00534286
9.50807325 5.84937711 4.17126779
-0.00030668 -0.00018112 0.00063516
-0.02633484 0.01603406 -0.00949040
12.34632265 5.90436870 4.73291864
-0.00015385 0.00051010 -0.00025144
-0.00495653 -0.00193584 0.00501305
-7.72459490 -11.32110916 -2.12290795
0.00005181 -0.00043969 0.00082843
0.01760893 -0.03103824 0.00792489
-10.00286408 -9.55842751 -1.40041825
0.00061545 -0.00043399 0.00040249
-0.00362846 -0.00190187 0.00626384
4.67798807 -17.00580861 -13.40835710
0.00028677 0.00023507 -0.00166867
-0.02789183 0.02930970 -0.01230604
2.55468062 -16.80977569 -11.68320586
0.00108062 0.00091469 -0.00044078
-0.00110882 0.02324985 -0.03175424
5.95643198 -7.00678934 -5.95223790
0.00046675 0.00055674 -0.00100788
-0.00244580 0.00529388 -0.00197583
4.94944479 -8.93061202 -3.99843591
-0.00039737 0.00034109 -0.00009960
-0.00123589 0.00967306 -0.03369742
17.05489834 1.55933048 24.25713318
0.00018269 0.00048093 0.00055966
-0.00962660 -0.00678597 0.00021376
19.40919319 2.10088257 25.60592822
-0.00038975 0.00092705 -0.00077817
0.01184341 -0.00343909 -0.00107604
-9.45449242 2.96387245 2.12100738
-0.00109406 0.00005096 0.00031924
0.01097726 -0.00237407 -0.00388890
-7.83499606 4.97420906 1.06822179
-0.00044743 -0.00011284 -0.00044733
0.01416479 0.00726407 -0.00556666
-6.82744256 14.97811329 -9.59103085
0.00131640 -0.00025844 0.00086266
0.01596922 0.00867623 0.01687630
-9.38156201 13.79353417 -9.71125580
-0.00000075 0.00037580 0.00026557
-0.03526734 -0.01438275 0.02361212
0.14752500 11.05878384 -8.07864968
-0.00034133 0.00013660 -0.00027826
-0.00522497 -0.00917109 -0.00410228
2.40514335 12.53141783 -7.91987692
-0.00042531 0.00103484 0.00088222
0.02430970 0.01191406 0.00155768
-10.46269590 8.81608119 -13.77209118
-0.00033596 0.00028825 0.00008948
0.01208528 -0.00963829 0.00836850
-12.77679317 9.81763013 -12.22995843
0.00041052 0.00001387 0.00059375
-0.02450483 -0.00620214 0.05609660
7.21245374 5.92930093 14.75107894
-0.00028810 -0.00013001 -0.00003231
-0.00277108 0.04599374 0.01683358
7.67507990 4.07027755 12.86917831
-0.00108632 0.00157966 0.00000754
0.00073461 -0.01972611 0.00616850
-14.06639977 10.59402024 -8.08048950
-0.00017885 0.00103276 0.00069678
0.00215771 -0.00063330 -0.00735070
-16.36604713 9.36712147 -9.42963418
0.00024072 0.00063719 -0.00017427
-0.02418936 0.00480407 -0.00189689
9.09100111 9.76948467 -1.97252017
-0.00116852 0.00053558 0.00025194
0.00621027 0.00373315 0.00057177
6.60117968 8.94590662 -3.11770494
0.00040510 0.00010606 -0.00126975
0.05385187 -0.02140063 -0.00407546
11.99531545 -20.54581074 -26.56439823
0.00089926 0.00014368 -0.00004947
-0.00573294 0.00035534 -0.00224964
13.23152298 -19.79797626 -24.06122982
-0.00044779 0.00066211 0.00021556
0.00736173 0.00204572 0.01412703
5.91244949 4.68217639 2.87511484
-0.00088332 0.00114549 -0.00126499
-0.00868190 -0.05060251 0.01037234
6.58993825 6.60130627 0.94986372
-0.00096210 0.00018779 -0.00065987
0.00164934 0.00500322 0.00479194
20.41576429 -6.71007980 -5.31611889
-0.00023214 0.00070878 -0.00114210
0.00879794 -0.00816295 0.00883081
18.13245648 -4.82945571 -5.20735414
-0.00045528 -0.00054431 -0.00025000
0.01603637 -0.01726177 -0.01721176
-3.37192436 0.28782289 -1.41703623
-0.00010833 -0.00086418 0.00095200
0.03598187 0.00108106 -0.01787725
-2.05711634 0.65202096 -4.16415878
0.00075187 0.00095739 -0.00008014
-0.00497434 -0.00192424 0.00635343
3.77869903 -3.32040671 -12.19035395
-0.00022142 -0.00093407 0.00070809
-0.01750616 0.01735753 -0.00836709
0.93837583 -2.58390627 -11.72692407
-0.00066000 0.00044805 0.00134079
-0.02403625 -0.01249625 0.00827165
20.60971969 8.31011576 -6.72791565
-0.00063738 0.00025374 0.00099610
-0.00299665 -0.02421372 -0.03324508
22.37200368 8.98548209 -4.48748067
-0.00110696 -0.00054654 -0.00020068
0.00600303 -0.01102377 -0.00698953
-7.46155753 4.68267173 9.08930368
-0.00051435 0.00021253 -0.00040646
0.00314011 -0.00885578 0.00130194
-7.33666384 6.48627624 11.31507339
0.00037805 -0.00051047 -0.00100224
-0.01100452 0.00009790 -0.03135031
-3.08222906 -16.37855835 12.06629224
-0.00045951 0.00035708 -0.00034042
0.01274211 0.00159914 -0.00425402
-4.39679911 -13.98880300 11.83841103
0.00045598 -0.00007803 0.00009446
-0.00535115 0.01646538 -0.00220246
7.95082519 0.13026300 -3.18630178
0.00080324 0.00004806 -0.00117622
-0.00247463 0.00321140 0.01125104
7.62010788 2.08260602 -5.52572011
0.00022951 -0.00055205 -0.00008235
-0.00052045 0.00701650 0.00100910
0.89085137 -10.29796350 2.13381751
0.00065080 -0.00081146 -0.00066254
-0.00254888 -0.00327692 -0.01081301
0.64675716 -8.38752959 -0.02951841
-0.00065968 0.00027567 -0.00041298
-0.00084724 0.01137880 0.00165312
-19.84409675 -1.60889536 6.64552698
0.00022105 0.00046599 0.00048342
-0.00476260 0.00066498 -0.02285099
-20.67034996 0.22548455 4.29761650
-0.00025315 -0.00004536 -0.00028174
0.01024723 -0.03915862 0.01118785
-3.56679783 7.80471823 -24.89575193
-0.00023800 -0.00031382 -0.00114257
-0.01622335 0.01539353 0.03695015
-4.35306431 8.74120469 -21.92759514
-0.00088386 0.00028680 -0.00015878
0.00459131 -0.01102146 -0.03235160
3.19954702 0.82580392 -1.25285712
0.00068300 0.00069584 0.00049963
0.01497390 0.00518731 0.00623430
0.84988354 1.91218101 -2.04416244
0.00044821 0.00060173 -0.00049042
0.00709352 0.01156368 0.00381572
16.30475441 7.74890802 6.34715181
0.00003462 -0.00005941 -0.00057543
-0.01153432 -0.01005800 -0.00165627
15.85824639 9.28986997 4.13103654
-0.00007465 -0.00132858 0.00050312
0.00389201 0.04382287 -0.02518529
-0.33369934 -11.82996714 -13.48145425
-0.00007173 0.00005559 0.00023327
0.00545913 -0.00699247 0.00382710
-13.92215802 14.57777176 22.06153521
-0.00003639 -0.00009136 0.00013608
0.00347115 -0.00111144 0.00045277
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02857172
0.32360533
431.18787637
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.602 s
total exchange = -52.4541183728 (a.u.)
total exchange computation time: 2.7288198471 s
-154.4077221575
-931.34924497
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.4527514639 (a.u.)
total exchange computation time: 2.7288129330 s
-154.4191616329
Anderson extrapolation: theta=1.3584677766 (1.3584677766)
-931.34953857
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.4507620315 (a.u.)
total exchange computation time: 2.7291090488 s
-154.4354059603
Anderson extrapolation: theta=0.0562491543 (0.0562491543)
-931.34971661
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.4505479078 (a.u.)
total exchange computation time: 2.7057230473 s
-154.4369513851
Anderson extrapolation: theta=2.0183130440 (2.0000000000)
-931.34972417
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.4500910378 (a.u.)
total exchange computation time: 2.7038068771 s
-154.4402005535
Anderson extrapolation: theta=0.2385389965 (0.2385389965)
-931.34973274
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.4499755541 (a.u.)
total exchange computation time: 2.7048890591 s
-154.4409807421
Anderson extrapolation: theta=1.7152201508 (1.7152201508)
-931.34973442
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.607 s
total exchange = -52.4498027540 (a.u.)
total exchange computation time: 2.7061488628 s
-154.4420979546
Anderson extrapolation: theta=0.2800288179 (0.2800288179)
-931.34973622
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.606 s
total exchange = -52.4497809315 (a.u.)
total exchange computation time: 2.7024669647 s
-154.4421868300
Anderson extrapolation: theta=1.2472973565 (1.2472973565)
-931.34973657
-164.352562 49.719394 -160.671665
-134.060535 458.840294 -797.990516
-298.413097 508.559689 -958.662181
1125.485012
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1347971877
ExchangeOperator: bisection time: 1.602 s
total exchange = -52.4497746841 (a.u.)
total exchange computation time: 2.7301640511 s
680.04286798
-1086.53621326
89.78453910
-387.16957495
-175.02158091
79.83917732
551.60419304
0.00000000
-931.34973672
-10.78553276 -4.22496511 6.74325893
-0.00034311 0.00004663 -0.00017072
0.01517402 -0.01023330 0.02379379
-14.20145053 3.47517052 9.49997560
0.00009174 0.00007125 -0.00014185
-0.01425221 0.00853215 0.01422584
-15.98142815 1.24474516 3.54624695
-0.00013833 0.00009599 -0.00007994
0.07134615 0.02843187 0.00312957
2.36478930 -19.78316430 12.84541628
0.00031670 -0.00009671 0.00002511
-0.03679749 -0.00791476 -0.05366890
9.52471839 20.44290720 0.76528475
0.00004159 -0.00014357 0.00053044
0.02462920 0.02450542 -0.00982334
-11.67022946 12.75189182 15.07591771
-0.00059944 -0.00038603 0.00003628
0.02314590 -0.02177099 -0.00688527
-6.39731507 1.59100491 -12.08303760
0.00017066 -0.00018042 -0.00021955
0.00516365 -0.04450428 0.01345671
-7.42229745 7.81142543 -5.89237974
0.00008963 -0.00002238 0.00007163
0.02306461 -0.00015204 -0.01186386
-7.60387328 -4.55080221 17.94050538
-0.00018795 0.00038089 -0.00018873
0.02485847 -0.00029984 -0.02958845
-23.38645975 -4.76602834 -22.46042916
-0.00017174 -0.00046300 -0.00004645
-0.00327166 0.00447493 -0.00870389
6.64451871 12.78390915 6.04802910
0.00001125 -0.00000669 0.00015579
0.00513602 -0.01507312 0.00708291
24.63647670 30.31632226 -2.75732704
0.00006664 0.00016664 -0.00036229
0.02032993 -0.03347207 0.00279441
7.90397073 -1.31867791 -14.27895237
0.00005499 0.00003265 -0.00050033
-0.00214062 0.00989877 0.00873901
-7.08854108 -0.87859560 14.28912518
-0.00026452 -0.00008580 0.00018563
0.00307001 0.00805006 0.02129022
-1.98151948 -26.19895104 11.30132292
0.00000477 -0.00012163 0.00000961
0.00920387 -0.00263634 0.01533798
-14.31060421 -4.67873342 -7.11281611
0.00026608 0.00012564 0.00018166
0.00437032 -0.00049049 -0.00548180
-19.98657844 -12.44375838 -17.90161931
-0.00020666 -0.00007443 0.00003498
-0.01493211 -0.03673966 -0.01387754
22.59308181 3.61479451 3.13444724
0.00016364 -0.00012225 -0.00016951
0.01097900 0.01920710 -0.02411002
17.80737343 -9.97216511 -14.33955729
-0.00010110 -0.00028482 0.00004439
0.04278895 -0.02573491 -0.01265256
-2.25601250 1.96746813 -7.27522584
0.00034918 -0.00018890 0.00028590
0.00148965 0.02312720 0.02557893
-4.05755167 -3.00731853 -15.63516885
-0.00019842 -0.00006675 -0.00001518
0.02850728 -0.00173027 0.01654780
13.42521028 17.14678559 -20.30702283
0.00002774 0.00023109 0.00036584
-0.02296486 -0.01896466 -0.00196527
-16.62837415 16.03455477 -12.05953779
0.00061590 -0.00002911 -0.00014887
0.04562558 0.01547327 -0.00342213
1.32215375 14.19760129 7.57406402
0.00053522 0.00019020 -0.00005547
-0.01649882 0.04061291 0.01260536
-5.13637216 -9.57064579 2.02095028
-0.00021075 -0.00003374 0.00010822
0.05643692 -0.03853190 0.02500185
3.10653486 -6.17993043 2.44582832
-0.00011711 -0.00058997 0.00015124
0.03321867 -0.07329751 -0.02167180
10.84317270 4.81560012 4.72433233
-0.00003666 0.00011134 -0.00040937
0.03887106 -0.01548411 0.00726057
-8.55657643 -9.79815785 -2.48013489
0.00006863 0.00031627 -0.00050656
-0.01099220 0.02930970 -0.01681505
3.07033507 -15.93460147 -13.32322803
0.00011775 -0.00017849 0.00032368
0.02971086 -0.04765339 0.03667275
4.86014997 -8.47808476 -5.83348757
0.00001234 0.00002830 0.00046728
-0.00125597 -0.00860437 0.03696739
18.53198669 0.66168807 24.89500019
0.00015085 0.00024033 -0.00027322
-0.00766383 0.00985018 0.00203139
-7.99285210 3.16443929 0.97409907
-0.00038934 -0.00007711 0.00009315
-0.02656915 -0.00152281 0.02426530
-7.97856745 14.20834181 -10.69845774
0.00017760 -0.00007726 0.00023354
0.02819998 0.00957412 -0.03646260
1.65373344 11.35570199 -9.07581880
0.00013415 -0.00009399 0.00011532
-0.01382779 0.00195670 0.00151937
-11.92331998 9.85783759 -13.74654837
0.00028669 0.00029539 -0.00023010
0.00681807 0.01704833 -0.06221877
7.36828287 4.18046974 14.70652246
-0.00031348 -0.00002869 0.00015392
0.00014098 -0.01395094 -0.03090413
-14.58959303 9.50500426 -9.48688499
-0.00004276 -0.00035894 0.00028584
0.01889882 -0.00381903 0.01514444
8.51310101 8.43434437 -3.07365235
0.00010512 -0.00034758 -0.00019863
-0.06232252 0.01907109 0.00828473
13.61723093 -20.35765388 -25.74728072
0.00016655 -0.00006482 0.00006276
0.00073513 -0.00929752 -0.02171970
6.31664830 6.39536358 2.75367627
0.00016407 0.00021773 0.00001215
0.00503952 0.05094266 -0.02086451
19.29349837 -5.78576886 -6.36931141
-0.00010165 -0.00002272 -0.00028222
-0.03495406 0.02750200 0.00650372
-1.73460112 0.13806697 -2.38804957
-0.00000039 -0.00011636 -0.00025625
-0.03199547 0.00209819 0.00209783
2.44409857 -1.94854950 -12.49206634
-0.00009394 0.00022555 0.00015915
0.03837842 -0.01465522 0.00627351
20.73398795 9.27647814 -5.26373930
-0.00033721 0.00015162 0.00002820
-0.02451522 0.03252452 0.03201022
-7.49303550 6.48501519 9.42969492
0.00013165 -0.00002332 0.00007188
-0.00499822 0.00817992 0.03313799
-2.70390440 -14.60471919 11.72087682
0.00005076 0.00002297 -0.00041507
0.00351354 -0.01676462 0.00900841
8.18020806 0.43442676 -4.94368055
-0.00021050 0.00024878 0.00003250
0.01606768 -0.03283504 -0.01272459
0.00138294 -9.99067562 0.52879168
-0.00004110 -0.00010320 0.00002350
-0.00070417 -0.01032099 -0.00058050
-20.01465685 -1.55283439 4.71961108
-0.00016888 0.00025298 0.00008531
-0.01605204 0.04217581 0.01026298
-4.76659917 7.64548359 -23.40126019
0.00026982 0.00002839 -0.00024317
0.01159363 0.00166656 -0.00495795
2.59179328 2.51130866 -1.55348837
-0.00005969 -0.00048727 0.00045146
-0.02267438 -0.00508727 -0.01046388
15.51272456 7.66113153 4.68126990
0.00001859 -0.00019475 0.00006297
-0.00066988 -0.04163839 0.01899771
-9.31220891 -5.12787839 7.40063707
0.00061709 0.00052916 0.00048832
-0.01399354 0.00414856 -0.00795402
-10.59779295 -4.02467777 4.95047830
-0.00029632 0.00096771 0.00042776
0.00865526 -0.00301386 -0.00919616
-13.14864696 4.90391143 9.19773989
0.00052071 -0.00060836 -0.00071673
0.01038879 0.00886179 -0.00888908
-13.44013283 2.04814875 8.68023345
0.00030751 -0.00065212 -0.00014040
0.00749606 -0.00394349 -0.00893424
-14.55777481 0.83263830 4.74162882
-0.00047160 0.00117490 0.00016264
-0.03141570 0.00963510 -0.01237095
-17.20175876 0.02571168 3.90970023
0.00062302 0.00027002 0.00008532
-0.03368169 -0.03356788 0.01190685
2.28844245 -21.23726378 11.60125779
0.00086067 -0.00002873 -0.00010749
0.00621131 0.01991331 0.02047124
3.53661420 -20.21420411 14.06188417
-0.00091439 0.00033881 0.00011017
0.03648592 -0.00886955 0.03113828
8.77946850 18.80627875 0.54116815
0.00022144 -0.00013453 0.00062196
-0.01916095 -0.00442394 0.00703036
8.61836829 21.75240180 1.72104229
0.00071757 0.00033672 0.00045183
-0.01220511 -0.02184342 -0.00779810
-10.41589111 12.42692060 16.38467603
-0.00090045 -0.00048169 -0.00036930
-0.00457581 0.00094466 0.00286882
-12.55885226 14.22230464 15.53701072
0.00004306 -0.00027034 0.00086533
-0.01109402 0.02590725 0.00746633
-5.91360285 0.13072810 -13.17578740
0.00070328 0.00002877 -0.00003720
-0.00481957 0.02519237 0.01266613
-6.66916093 0.70243617 -10.34322753
0.00007313 0.00020259 -0.00060673
-0.00120267 0.02066798 -0.03551856
-6.69301864 6.54535203 -4.79959555
-0.00027941 0.00011131 -0.00059177
-0.00411640 0.00089422 -0.00000417
-9.17715203 7.64299789 -5.66193476
0.00022845 0.00038877 0.00051016
-0.02505267 -0.00363167 0.00295745
-8.70826653 -3.50470293 18.82236274
0.00047541 -0.00018697 0.00007615
-0.02113761 0.01872796 0.02204983
-7.71454508 -6.20837895 18.61451860
0.00021695 0.00067724 -0.00033547
-0.00519143 -0.02213085 0.01138640
-23.28343109 -3.27263364 -23.58090302
0.00049792 0.00023526 -0.00026951
-0.00490513 -0.00607099 0.02116110
-23.60382523 -4.24186709 -20.70757394
0.00093901 -0.00078396 -0.00013141
0.00247608 0.00472059 -0.01797851
6.92014919 13.25713346 4.33541203
-0.00033233 -0.00022878 -0.00036459
-0.00119184 0.01150966 -0.01833789
8.01863018 11.56762952 6.31331773
-0.00027173 0.00058715 -0.00059484
-0.00128146 0.00168850 0.01180941
24.42732487 28.64227508 -1.96003982
0.00020333 0.00038761 -0.00006508
0.00600304 0.01494722 -0.01384130
23.82320267 31.45782513 -1.64949905
-0.00005567 -0.00025814 -0.00039765
-0.00997776 0.02459212 0.02759985
9.31991676 -2.47809708 -13.95383697
0.00075770 0.00014887 -0.00120328
-0.00224240 0.00199310 -0.00658877
7.24606054 -0.67296102 -12.70684165
0.00088180 0.00060436 0.00076003
-0.00116219 -0.00935314 -0.00130221
-7.28195926 -0.42249563 16.05996415
-0.00081382 -0.00068689 -0.00048824
0.01427525 0.03050970 0.00225582
-8.03028583 -2.35552788 14.57566126
-0.00075388 0.00113118 -0.00047023
-0.01370549 -0.03797910 -0.01959780
-2.59596906 -26.86799795 12.96501848
0.00015348 0.00028595 0.00090056
0.00747574 0.00470667 -0.01543913
-3.26830502 -26.07445574 10.03570398
0.00081105 0.00050978 -0.00019382
-0.00732407 0.00051318 -0.00528040
-13.70614118 -3.04799019 -6.55248362
-0.00052925 0.00014961 0.00034509
-0.00600814 0.00763684 0.00356248
-15.01258636 -4.47311508 -8.79137399
-0.00013685 0.00012963 0.00014973
0.00046404 -0.00393490 0.00001657
-18.65199681 -11.78767621 -16.98039097
-0.00062952 0.00011601 0.00068259
0.03340297 0.04718331 0.03641800
-18.90928295 -13.89365349 -18.29728595
0.00068904 -0.00018590 0.00039576
-0.01008268 -0.00861877 -0.01587549
23.01330863 3.78865861 1.32141612
0.00090251 -0.00022388 0.00004232
-0.00526500 -0.02685241 0.00730587
23.23196660 5.27191962 3.51083187
-0.00028260 0.00021352 -0.00010830
-0.00307293 0.00430917 0.02728538
16.48826950 -9.37124412 -13.36805177
-0.00029239 -0.00116417 0.00042770
-0.04104967 0.01673271 0.03044258
17.65806935 -9.24986668 -15.97172963
-0.00046239 -0.00084233 -0.00099334
-0.00334682 0.00780311 -0.01924654
-0.57296093 2.53381612 -7.78929875
-0.00040353 0.00034910 0.00007903
-0.00126782 -0.01136838 -0.00843817
-2.87670560 0.75602724 -8.42664868
0.00090345 -0.00124980 0.00112061
-0.00241799 -0.01421600 -0.01601832
-5.62937289 -2.91607335 -16.43163610
-0.00005540 -0.00058927 -0.00006463
-0.02877309 0.00045586 -0.01783732
-2.96478549 -2.05521575 -16.76462162
-0.00026324 0.00023273 0.00022186
-0.00530380 0.00141111 0.00243899
12.87191468 18.54173638 -21.31515642
-0.00056225 -0.00025870 0.00047388
0.00666903 0.02121286 -0.00209301
11.81701913 16.19247192 -20.55322593
-0.00063219 0.00035091 0.00041070
0.01708786 -0.00496788 0.00633829
-15.23912509 15.44630032 -13.21597661
-0.00115843 0.00015989 -0.00005889
-0.02537880 0.00897083 0.01418128
-17.99627245 14.97719287 -12.50451029
0.00080124 0.00078863 -0.00048737
-0.02131890 -0.02082155 -0.00420149
2.49804065 14.97642873 6.37906863
0.00046989 0.00125732 0.00057834
-0.00925161 -0.00570846 -0.00224272
0.21657895 15.61974341 8.24129316
0.00173272 0.00037255 -0.00053917
0.02243424 -0.03039938 -0.01484680
-6.26031336 -8.39018544 1.46326857
-0.00082538 -0.00012385 -0.00066622
-0.04067607 0.04565668 -0.02067199
-3.44070526 -9.00186473 1.45741539
0.00026791 -0.00046907 0.00076323
-0.01111982 -0.01082031 0.00145401
2.72102040 -4.58216891 2.88200836
-0.00041229 0.00060596 -0.00055807
-0.02189559 0.07989022 0.02289564
4.62365670 -6.02033796 1.40155228
-0.00030454 0.00057709 -0.00034285
-0.00458919 -0.00802549 0.00608342
9.50266612 5.84715163 4.18050441
-0.00041741 -0.00011315 0.00059507
-0.02787073 0.01723847 -0.01013466
12.34386296 5.91196085 4.72930062
-0.00017558 0.00050097 -0.00023110
-0.00567833 -0.00253058 0.00494582
-7.72327812 -11.32865555 -2.11023868
0.00011698 -0.00055061 0.00085565
0.01428971 -0.02326064 0.00539885
-9.99374347 -9.56499557 -1.39418901
0.00059989 -0.00043952 0.00042710
-0.00399134 -0.00080713 0.00578325
4.68143499 -17.00138437 -13.43376418
0.00017187 0.00035392 -0.00171590
-0.02835211 0.02886835 -0.01081614
2.57085590 -16.79534288 -11.69079057
0.00107260 0.00100190 -0.00055778
-0.00281424 0.01944162 -0.02552049
5.96335824 -6.99827606 -5.96741668
0.00045030 0.00056930 -0.00101275
-0.00560457 0.00085448 -0.00040496
4.94344631 -8.92519929 -4.00096252
-0.00040091 0.00037995 -0.00022911
-0.00049390 0.00935220 -0.02969596
17.05734371 1.56633646 24.26553471
0.00013970 0.00045270 0.00055838
-0.01141610 -0.00703317 -0.00084404
19.40370990 2.11468293 25.59422271
-0.00033965 0.00091099 -0.00078222
0.01268025 -0.00442138 -0.00090487
-9.47056690 2.96456416 2.12567676
-0.00104246 0.00004312 0.00029853
0.01428065 -0.00146674 -0.00624609
-7.84127339 4.97273904 1.06134132
-0.00038996 -0.00008253 -0.00046960
0.01396338 0.00757400 -0.00533628
-6.80720715 14.97450261 -9.57757383
0.00136803 -0.00023193 0.00091929
0.00930088 0.00429780 0.01084520
-9.38265403 13.79873038 -9.70654866
-0.00014229 0.00031823 0.00036094
-0.03401345 -0.01379523 0.02307279
0.14224500 11.06055180 -8.08294934
-0.00036050 0.00009920 -0.00029628
-0.00416064 -0.00913748 -0.00471905
2.39950870 12.54730549 -7.90659583
-0.00033213 0.00107284 0.00087888
0.02130247 0.00669027 -0.00319618
-10.46736492 8.82010960 -13.77049247
-0.00027929 0.00024418 0.00012275
0.01565245 -0.01193220 0.00791551
-12.77138631 9.81764815 -12.21933321
0.00031721 -0.00001063 0.00080878
-0.02117043 -0.00579274 0.04916289
7.20804731 5.92876015 14.75111009
-0.00029974 0.00005931 0.00003907
-0.00292696 0.04667952 0.01810850
7.65880755 4.09336791 12.86948036
-0.00108249 0.00149581 0.00003127
0.00114159 -0.02131869 0.00544858
-14.06901634 10.60949228 -8.07026311
-0.00017288 0.00102132 0.00065583
0.00076436 -0.00496993 -0.01269354
-16.36317758 9.37682650 -9.43230641
0.00013546 0.00065617 -0.00018248
-0.02733633 0.00448760 -0.00212086
9.07366367 9.77763283 -1.96872347
-0.00114397 0.00054473 0.00024982
0.00580535 0.00074589 -0.00161170
6.60890643 8.94684176 -3.13687614
0.00062197 0.00001766 -0.00128652
0.05230704 -0.02186999 -0.00413211
12.00862865 -20.54364466 -26.56520917
0.00086769 0.00014441 -0.00006329
-0.00972015 0.00000023 -0.00451440
13.22503167 -19.78798195 -24.05756354
-0.00041555 0.00066776 0.00026642
0.00842074 0.00072223 0.01076950
5.89893365 4.69780814 2.85645785
-0.00092251 0.00092632 -0.00122027
-0.01050422 -0.05668419 0.01151773
6.57555736 6.60427642 0.94011255
-0.00095515 0.00020954 -0.00063342
0.00175216 0.00564182 0.00815515
20.41255173 -6.69969826 -5.33297973
-0.00018513 0.00066662 -0.00109610
0.01421350 -0.01247250 0.01368631
18.12611875 -4.83814931 -5.21163153
-0.00039014 -0.00061365 -0.00031981
0.01584622 -0.01668059 -0.01696021
-3.37244678 0.27489328 -1.40330409
0.00004361 -0.00085901 0.00087334
0.03839539 0.00144999 -0.02062742
-2.04599069 0.66632289 -4.16516616
0.00072876 0.00094891 -0.00005380
-0.00633750 -0.00223054 0.00654126
3.77484132 -3.33388594 -12.17998892
-0.00029685 -0.00085642 0.00067189
-0.01941648 0.02065627 -0.00935496
0.92773935 -2.57756850 -11.70655869
-0.00074689 0.00040210 0.00136772
-0.01849906 -0.00999413 0.00490789
20.60006718 8.31317996 -6.71399288
-0.00065134 0.00014643 0.00084730
-0.00383887 -0.02831537 -0.03959327
22.35558317 8.97694620 -4.49070509
-0.00107362 -0.00059201 -0.00022454
0.01032144 -0.01123289 -0.00469000
-7.46917662 4.68558833 9.08324660
-0.00050141 0.00017499 -0.00040201
0.00319581 -0.00952113 0.00088072
-7.33133028 6.47862222 11.29907916
0.00033418 -0.00050935 -0.00111639
-0.01047014 0.00044869 -0.02452819
-3.08873124 -16.37315317 12.06105556
-0.00040675 0.00035993 -0.00035758
0.01308231 -0.00020574 -0.00414464
-4.39012342 -13.98946890 11.83976044
0.00042817 -0.00000727 0.00008566
-0.00826199 0.01816990 -0.00210667
7.96279799 0.13108228 -3.20360034
0.00079004 0.00005832 -0.00110849
-0.00398812 0.00181287 0.02190433
7.62353463 2.07454033 -5.52692440
0.00022373 -0.00051331 -0.00008079
-0.00230964 0.01194610 -0.00024771
0.90053525 -10.31023577 2.12354811
0.00064151 -0.00082365 -0.00070465
-0.00199821 -0.00269075 -0.00980319
0.63683593 -8.38304592 -0.03566246
-0.00066417 0.00031805 -0.00040379
-0.00134803 0.00936711 0.00284729
-19.84092695 -1.60188511 6.65207811
0.00020067 0.00046868 0.00038656
-0.00521438 0.00065202 -0.02456597
-20.67383313 0.22360415 4.29373319
-0.00021161 -0.00020320 -0.00023582
0.01008677 -0.03810543 0.01129093
-3.57086493 7.80048260 -24.91175826
-0.00030495 -0.00024927 -0.00098756
-0.01654811 0.01620313 0.03892761
-4.36618154 8.74516888 -21.93096813
-0.00086266 0.00024305 -0.00029108
0.00578855 -0.01039033 -0.03241036
3.21025080 0.83640052 -1.24517159
0.00074639 0.00070479 0.00052685
0.01605898 -0.00080718 0.00709018
0.85682409 1.92156129 -2.05140183
0.00047367 0.00064465 -0.00047483
0.00536993 0.00944777 0.00381427
16.30492024 7.74770858 6.33846962
-0.00000914 -0.00010142 -0.00057403
-0.00988768 -0.01050573 0.00233935
15.85724583 9.27128421 4.13781163
-0.00005480 -0.00112758 0.00039150
0.00582713 0.05456623 -0.02945606
-0.33476063 -11.82915199 -13.47794499
-0.00006977 0.00005314 0.00023461
0.00547708 -0.00673828 0.00366462
-13.92269776 14.57639942 22.06357720
-0.00003557 -0.00009161 0.00013619
0.00355679 -0.00107519 0.00050043
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02860673
0.32112999
427.88961623
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1360086533
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.4589681922 (a.u.)
total exchange computation time: 2.6326270103 s
-154.4279246367
-931.34779970
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1360086533
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.4575520311 (a.u.)
total exchange computation time: 2.6351380348 s
-154.4401331901
Anderson extrapolation: theta=1.3853300670 (1.3853300670)
-931.34810435
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1360086533
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.4555101032 (a.u.)
total exchange computation time: 2.6370019913 s
-154.4575000842
Anderson extrapolation: theta=0.0678835473 (0.0678835473)
-931.34829822
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1360086533
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.4553200059 (a.u.)
total exchange computation time: 2.6338939667 s
-154.4590474306
Anderson extrapolation: theta=2.3252500053 (2.0000000000)
-931.34830963
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1360086533
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.4549452683 (a.u.)
total exchange computation time: 2.6332340240 s
-154.4620970306
Anderson extrapolation: theta=0.4161848691 (0.4161848691)
-931.34832501
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1360086533
ExchangeOperator: bisection time: 1.784 s
total exchange = -52.4548182210 (a.u.)
total exchange computation time: 2.6329510212 s
-154.4631392822
Anderson extrapolation: theta=1.0001532420 (1.0001532420)
-931.34832942
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1360086533
ExchangeOperator: bisection time: 1.785 s
total exchange = -52.4547359595 (a.u.)
total exchange computation time: 2.6345942020 s
-154.4638197916
Anderson extrapolation: theta=0.5159852435 (0.5159852435)
-931.34833253
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1360086533
ExchangeOperator: bisection time: 1.693 s
total exchange = -52.4547357377 (a.u.)
total exchange computation time: 2.6335380077 s
-154.4638256912
Anderson extrapolation: theta=0.7417221010 (0.7417221010)
-931.34833363
-164.349495 49.784242 -160.654820
-134.062187 458.900247 -798.027299
-298.411682 508.684488 -958.682119
1125.558016
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1360086533
ExchangeOperator: bisection time: 1.787 s
total exchange = -52.4547660380 (a.u.)
total exchange computation time: 2.6363270283 s
680.12483326
-1086.71578528
89.78079931
-387.04667295
-175.03674238
79.93993320
551.60419304
0.00000000
-931.34833408
-10.79062088 -4.22430518 6.74078985
-0.00033443 0.00004063 -0.00015698
0.01858964 -0.01308209 0.02966066
-14.20012945 3.47627212 9.49790280
0.00008485 0.00007434 -0.00013521
-0.01254054 0.00351680 0.01155830
-15.98322792 1.24629463 3.54505990
-0.00010129 0.00011165 -0.00007890
0.07268051 0.03247501 0.00092480
2.36939791 -19.78464552 12.84558595
0.00029646 -0.00010023 -0.00000395
-0.04192950 -0.00576173 -0.05936150
9.52543729 20.44084822 0.77320352
0.00005453 -0.00013085 0.00052533
0.02567927 0.02492958 -0.01008133
-11.67913185 12.74601742 15.07643535
-0.00058822 -0.00039675 0.00003228
0.02048977 -0.01990712 -0.00867872
-6.39473519 1.58812696 -12.08627897
0.00017331 -0.00020284 -0.00021291
0.00510846 -0.04268767 0.01238749
-7.42086409 7.81108909 -5.89135104
0.00010108 -0.00002163 0.00006476
0.02148609 0.00309575 -0.01486491
-7.60659669 -4.54508998 17.93756027
-0.00017434 0.00038042 -0.00020487
0.02809025 -0.00152876 -0.03318336
-23.38904842 -4.77295604 -22.46115955
-0.00017323 -0.00045998 -0.00005222
-0.00254219 0.00725482 -0.01373357
6.64470731 12.78375058 6.05039325
0.00001319 -0.00001344 0.00015827
0.00237956 -0.01114690 0.00255883
24.63755467 30.31869270 -2.76275057
0.00007718 0.00014929 -0.00036105
0.02067252 -0.03399547 0.00200289
7.90478734 -1.31814992 -14.28642361
0.00005352 0.00003825 -0.00049412
-0.00359623 0.01186102 0.01541201
-7.09249708 -0.87985162 14.29199183
-0.00026192 -0.00008052 0.00019509
0.00703614 0.01249394 0.01547990
-1.98141244 -26.20078566 11.30152630
0.00001014 -0.00012313 0.00001872
0.01169172 -0.00320005 0.02007864
-14.30659615 -4.67685068 -7.11011231
0.00026800 0.00012503 0.00017837
0.00308067 -0.00188367 -0.00732168
-19.98973594 -12.44501659 -17.90114808
-0.00021337 -0.00009387 0.00002791
-0.01115669 -0.03884334 -0.01363491
22.59557879 3.61303487 3.13181165
0.00016943 -0.00011199 -0.00018167
0.01153467 0.02067665 -0.02318804
17.80602201 -9.97653664 -14.33894030
-0.00007931 -0.00029740 0.00003662
0.04192596 -0.02319161 -0.01755323
-2.25076911 1.96472386 -7.27083860
0.00034915 -0.00017723 0.00029920
-0.00160508 0.02226270 0.02612055
-4.06041804 -3.00832650 -15.63533272
-0.00018364 -0.00006761 -0.00000650
0.02896503 -0.00160809 0.01720625
13.42553776 17.15017872 -20.30154278
0.00001536 0.00022061 0.00036493
-0.02516261 -0.02177795 -0.00158128
-16.61895969 16.03417777 -12.06178398
0.00063837 -0.00002009 -0.00014918
0.04174593 0.01960192 0.00220011
1.33011837 14.20061094 7.57328062
0.00052748 0.00021078 -0.00004945
-0.01357054 0.03940383 0.01079077
-5.13931575 -9.57130059 2.02266996
-0.00018299 -0.00005237 0.00012064
0.05152188 -0.03391202 0.02330417
3.10490628 -6.18906267 2.44801326
-0.00010043 -0.00062406 0.00014082
0.03165576 -0.05929541 -0.01882566
10.84277279 4.81721047 4.71821978
-0.00001638 0.00010336 -0.00040558
0.03997421 -0.01555050 0.00746521
-8.55558941 -9.79330070 -2.48779811
0.00006397 0.00032892 -0.00051430
-0.00712796 0.01986523 -0.01328537
3.07221589 -15.93746260 -13.31823133
0.00013352 -0.00020163 0.00034026
0.03160725 -0.04234844 0.02777980
4.86033030 -8.47769339 -5.82633575
0.00001227 0.00002520 0.00048458
0.00096581 -0.00347819 0.03029340
18.53421988 0.66533109 24.89090973
0.00014712 0.00024567 -0.00027199
-0.00685115 0.01088604 0.00275255
-7.99879470 3.16327681 0.97558994
-0.00040367 -0.00007805 0.00010609
-0.02917003 -0.00215500 0.02605406
-7.97579466 14.20721991 -10.69509529
0.00019315 -0.00007152 0.00021664
0.03227059 0.01274727 -0.02925698
1.65569234 11.35429969 -9.07408309
0.00012755 -0.00009168 0.00011747
-0.01182494 0.00701812 0.00683830
-11.91899339 9.86233415 -13.75023981
0.00028829 0.00030455 -0.00025973
-0.00056735 0.01859347 -0.05301986
7.36358121 4.17998558 14.70871201
-0.00031349 -0.00003513 0.00013791
-0.00017817 -0.01107678 -0.03133076
-14.59016152 9.49960538 -9.48253899
-0.00003216 -0.00035992 0.00029486
0.02232198 0.00002240 0.01995323
8.51443748 8.42920423 -3.07659986
0.00007383 -0.00033689 -0.00019374
-0.05937333 0.02250749 0.01074101
13.61973198 -20.35866198 -25.74642315
0.00016756 -0.00006911 0.00005305
0.00318544 -0.00739869 -0.01603698
6.31912880 6.39882605 2.75377803
0.00016694 0.00024472 0.00000044
0.00612755 0.05400975 -0.02468501
19.29183881 -5.78600363 -6.37351967
-0.00012079 -0.00000775 -0.00028020
-0.03947925 0.03073441 0.00134618
-1.73473040 0.13632966 -2.39188524
-0.00001697 -0.00011543 -0.00025460
-0.03246355 0.00153415 0.00432447
2.44283755 -1.94522274 -12.48965484
-0.00007526 0.00021662 0.00016344
0.03424675 -0.02009103 0.01038796
20.72883520 9.27887791 -5.26319287
-0.00035066 0.00016923 0.00004528
-0.02777566 0.03596095 0.03442515
-7.49108003 6.48469698 9.43090097
0.00012890 -0.00001914 0.00008693
-0.00568461 0.00807870 0.02539765
-2.70312952 -14.60443935 11.71468545
0.00005311 0.00001446 -0.00041052
0.00565937 -0.01632975 0.00870767
8.17711256 0.43803183 -4.94324221
-0.00020160 0.00023092 0.00002362
0.01854415 -0.03662655 -0.02179848
0.00076368 -9.99226346 0.52914195
-0.00004154 -0.00010807 0.00002262
-0.00101044 -0.00861268 -0.00283033
-20.01725194 -1.54887694 4.72093032
-0.00017690 0.00027411 0.00009095
-0.01513804 0.03997667 0.01167839
-4.76250709 7.64591587 -23.40492687
0.00027544 0.00002884 -0.00024611
0.01025326 0.00009552 -0.00645716
2.59081044 2.50398003 -1.54675688
-0.00007107 -0.00048778 0.00044593
-0.02156154 0.00309128 -0.01103837
15.51300077 7.65804965 4.68228777
0.00001737 -0.00021830 0.00007257
-0.00404220 -0.04993615 0.01833065
-9.30338142 -5.11981382 7.40771811
0.00055156 0.00055101 0.00045126
-0.01808163 0.00654484 -0.01018653
-10.60197249 -4.01025444 4.95661288
-0.00025936 0.00095590 0.00038297
0.00943551 -0.00276939 -0.01272776
-13.14051800 4.89505766 9.18671661
0.00056455 -0.00056948 -0.00075293
0.01107265 0.01017024 -0.00883076
-13.43529052 2.03824618 8.67785375
0.00033304 -0.00066039 -0.00017206
0.00500151 -0.00010942 -0.00656602
-14.56581149 0.85055707 4.74368929
-0.00059616 0.00121281 0.00011449
-0.02955781 0.00892222 -0.01119544
-17.19344553 0.02873336 3.91134492
0.00047894 0.00012643 0.00013582
-0.03684814 -0.03672004 0.01281163
2.30154285 -21.23708447 11.60027276
0.00088572 0.00005225 -0.00002396
0.00604803 0.01972721 0.02041425
3.52401639 -20.20939382 14.06449084
-0.00075484 0.00029848 0.00024908
0.04161524 -0.01087236 0.03685887
8.78220290 18.80412524 0.55071298
0.00014200 -0.00015305 0.00065094
-0.01972538 -0.00463979 0.00715555
8.62875791 21.75678329 1.72758079
0.00066655 0.00024706 0.00042043
-0.01277208 -0.02204493 -0.00757172
-10.42953811 12.41972425 16.37922446
-0.00091346 -0.00048033 -0.00035271
-0.00179382 -0.00028029 0.00525167
-12.55854629 14.21904346 15.55021947
-0.00000209 -0.00016537 0.00089485
-0.01100845 0.02547490 0.00698307
-5.90320138 0.13193159 -13.17595726
0.00068393 0.00012961 0.00001308
-0.00465006 0.02416945 0.01194517
-6.66810081 0.70610829 -10.35341692
0.00006807 0.00028512 -0.00074802
-0.00127327 0.01973486 -0.03364040
-6.69733591 6.54704902 -4.80847224
-0.00029171 0.00010770 -0.00058563
-0.00190474 -0.00265736 0.00301215
-9.17449292 7.64871814 -5.65419175
0.00012493 0.00037436 0.00052216
-0.02562396 -0.00342036 0.00291634
-8.70178303 -3.50693357 18.82418068
0.00038271 -0.00010357 0.00017201
-0.02424121 0.02209846 0.02487310
-7.71144985 -6.19889847 18.60983545
0.00019566 0.00058193 -0.00028717
-0.00523456 -0.02452371 0.01225587
-23.27611265 -3.26929074 -23.58429720
0.00047718 0.00020359 -0.00017797
-0.00524579 -0.00943369 0.02364825
-23.58966414 -4.25348186 -20.71009607
0.00094836 -0.00076313 -0.00020000
0.00209789 0.00547479 -0.01559392
6.91512772 13.25405449 4.32938120
-0.00033911 -0.00018302 -0.00043277
-0.00212919 0.01088816 -0.01503258
8.01451501 11.57648850 6.30475696
-0.00026980 0.00058742 -0.00054412
0.00222251 -0.00155782 0.01302040
24.43055875 28.64854727 -1.96144014
0.00022798 0.00044662 -0.00012136
0.00606500 0.01393843 -0.01370891
23.82206189 31.45470654 -1.65461804
-0.00009773 -0.00015514 -0.00028387
-0.01061192 0.02582740 0.02809677
9.33121354 -2.47580296 -13.97208807
0.00074587 0.00015885 -0.00123030
-0.00354915 0.00289037 -0.00663927
7.25925193 -0.66418226 -12.69548109
0.00088220 0.00056024 0.00074168
0.00135604 -0.01224395 -0.00768225
-7.29372912 -0.43186414 16.05270975
-0.00075484 -0.00055845 -0.00046802
0.01459449 0.03236286 0.00763875
-8.04201399 -2.33972394 14.56800723
-0.00081818 0.00096314 -0.00055003
-0.01776995 -0.04427796 -0.01946218
-2.59343777 -26.86356452 12.97805381
0.00018439 0.00030671 0.00083161
0.00765687 0.00545782 -0.01831413
-3.25636365 -26.06679325 10.03263481
0.00077585 0.00051172 -0.00021880
-0.00991052 0.00043214 -0.00694526
-13.71426401 -3.04551204 -6.54719807
-0.00055287 0.00018355 0.00036071
-0.00555555 0.00897936 0.00408064
-15.01462484 -4.47129127 -8.78912760
-0.00013345 0.00011346 0.00015214
0.00119792 -0.00397646 0.00116297
-18.66041599 -11.78449025 -16.96903618
-0.00049703 0.00030691 0.00082900
0.03144837 0.04626369 0.03525044
-18.89925635 -13.89670605 -18.29183606
0.00064412 -0.00021513 0.00033243
-0.01190405 -0.00569234 -0.01512155
23.02668491 3.78447762 1.32227476
0.00088109 -0.00033357 0.00007098
-0.00522020 -0.02684550 0.00672296
23.22763345 5.27525444 3.51004345
-0.00029659 0.00022873 0.00000237
-0.00377802 0.00313747 0.02689115
16.48262578 -9.38819388 -13.36070347
-0.00045789 -0.00109664 0.00054857
-0.03996644 0.01632175 0.02872768
17.65103095 -9.26226252 -15.98721952
-0.00047646 -0.00081526 -0.00105891
-0.00354158 0.00544864 -0.01285218
-0.57905270 2.53870420 -7.78837193
-0.00040279 0.00030427 0.00004261
0.00163113 -0.01057178 -0.00938892
-2.86322797 0.73684458 -8.41033039
0.00089402 -0.00130733 0.00105589
-0.00219819 -0.01394458 -0.01566377
-5.63108564 -2.92489838 -16.43315214
-0.00017365 -0.00058760 -0.00013822
-0.02910820 0.00036036 -0.01818745
-2.96889664 -2.05168150 -16.76121896
-0.00028472 0.00023874 0.00023120
-0.00520830 0.00153066 0.00213376
12.86368523 18.53850589 -21.30811242
-0.00053515 -0.00016791 0.00046284
0.00659840 0.02322983 -0.00331104
11.80805996 16.19758340 -20.54687118
-0.00055752 0.00033198 0.00043796
0.01946386 -0.00430133 0.00700356
-15.25727924 15.44897359 -13.21642542
-0.00124614 0.00019245 -0.00001130
-0.01755354 0.00696761 0.00911738
-17.98490708 14.98838432 -12.51194962
0.00070623 0.00069881 -0.00050519
-0.02519106 -0.02314680 -0.00452032
2.50480553 14.99511359 6.38767499
0.00043348 0.00123122 0.00056764
-0.00857235 -0.00706849 -0.00299372
0.24325728 15.62440010 8.23275069
0.00181650 0.00025342 -0.00059481
0.01857535 -0.02791580 -0.01238914
-6.27394057 -8.39064408 1.45264185
-0.00097926 0.00005184 -0.00074617
-0.03464509 0.04034371 -0.01846523
-3.43702740 -9.00923232 1.46890845
0.00022077 -0.00051218 0.00076830
-0.01195242 -0.01028158 0.00102560
2.71416508 -4.57063137 2.87433887
-0.00049670 0.00090614 -0.00047123
-0.01942122 0.06705041 0.01961390
4.61894805 -6.01192759 1.39659598
-0.00032495 0.00054218 -0.00031677
-0.00540397 -0.00905885 0.00668308
9.49555090 5.84598264 4.18911991
-0.00053213 -0.00004202 0.00055331
-0.02828510 0.01757890 -0.01030586
12.34105526 5.91939791 4.72598570
-0.00019988 0.00048973 -0.00021106
-0.00621559 -0.00297298 0.00486507
-7.72108558 -11.33762751 -2.09723853
0.00016800 -0.00062851 0.00087186
0.01068725 -0.01487336 0.00253602
-9.98486748 -9.57161310 -1.38760533
0.00058325 -0.00044066 0.00044938
-0.00415233 0.00024832 0.00512583
4.68314431 -16.99519089 -13.45983413
0.00005625 0.00047010 -0.00175707
-0.02824597 0.02800121 -0.00933775
2.58685871 -16.77971857 -11.69993934
0.00105708 0.00107222 -0.00064664
-0.00478450 0.01497643 -0.01797393
5.96994103 -6.98971041 -5.98262027
0.00042119 0.00056411 -0.00101106
-0.00864661 -0.00339499 0.00122929
4.93741756 -8.91921341 -4.00530908
-0.00040143 0.00041690 -0.00034005
0.00023863 0.00873233 -0.02461289
17.05908942 1.57291141 24.27388450
0.00008977 0.00042343 0.00055296
-0.01302839 -0.00729583 -0.00180648
19.39900373 2.12821231 25.58246174
-0.00028633 0.00089086 -0.00078571
0.01342175 -0.00543077 -0.00080571
-9.48576618 2.96516599 2.12996334
-0.00097832 0.00003894 0.00026899
0.01711511 -0.00057842 -0.00821514
-7.84669495 4.97173320 1.05413381
-0.00033345 -0.00005160 -0.00049088
0.01369988 0.00756806 -0.00508094
-6.78640172 14.97115533 -9.56345215
0.00139274 -0.00022285 0.00095175
0.00279787 0.00014992 0.00504361
-9.38583059 13.80308114 -9.70042748
-0.00027569 0.00026388 0.00045224
-0.03128692 -0.01281148 0.02161549
0.13671000 11.06175977 -8.08753822
-0.00037511 0.00006209 -0.00031669
-0.00299249 -0.00902505 -0.00526825
2.39517959 12.56360317 -7.89351062
-0.00025119 0.00108936 0.00085627
0.01831685 0.00139451 -0.00787131
-10.47107467 8.82340673 -13.76840865
-0.00020906 0.00019144 0.00015417
0.01872701 -0.01388770 0.00746431
-12.76727691 9.81731116 -12.20569499
0.00023929 -0.00003328 0.00099183
-0.01697008 -0.00529205 0.04043873
7.20346149 5.93108018 14.75225105
-0.00031155 0.00024736 0.00011518
-0.00285434 0.04537115 0.01914586
7.64260517 4.11515174 12.87011634
-0.00107703 0.00140587 0.00005192
0.00153008 -0.02270808 0.00466276
-14.07158605 10.62465973 -8.06081465
-0.00017211 0.00099294 0.00059434
-0.00038736 -0.00892236 -0.01740305
-16.36198337 9.38680657 -9.43510861
0.00001963 0.00067414 -0.00019173
-0.02936374 0.00430832 -0.00240717
9.05668203 9.78582671 -1.96502555
-0.00112100 0.00054151 0.00023871
0.00543939 -0.00232276 -0.00382746
6.61983888 8.94643656 -3.15630058
0.00083027 -0.00007197 -0.00130362
0.04965693 -0.02200439 -0.00423807
12.02134614 -20.54147856 -26.56629678
0.00082457 0.00014463 -0.00008497
-0.01138665 0.00010947 -0.00610070
13.21905644 -19.77794338 -24.05323724
-0.00037878 0.00066774 0.00030297
0.00958090 -0.00073332 0.00712432
5.88477405 4.70996594 2.83850675
-0.00096799 0.00068753 -0.00117148
-0.01175622 -0.06020343 0.01236638
6.56128386 6.60759233 0.93086117
-0.00094757 0.00023386 -0.00059388
0.00195834 0.00626763 0.01119871
20.41021027 -6.69008112 -5.34900179
-0.00011677 0.00060760 -0.00103115
0.01924883 -0.01642110 0.01810359
18.12075217 -4.84786519 -5.21694833
-0.00032678 -0.00067980 -0.00038759
0.01516932 -0.01569940 -0.01622235
-3.37061610 0.26205253 -1.39083613
0.00020345 -0.00085209 0.00078457
0.03984814 0.00193832 -0.02282349
-2.03525345 0.68048812 -4.16577266
0.00070018 0.00093920 -0.00002687
-0.00765656 -0.00251972 0.00664126
3.76979364 -3.34609923 -12.17019722
-0.00037911 -0.00076619 0.00063190
-0.02085017 0.02351301 -0.01022001
0.91596913 -2.57184324 -11.68589251
-0.00081058 0.00036646 0.00138042
-0.01267819 -0.00745394 0.00131043
20.59017939 8.31450880 -6.70249662
-0.00066861 0.00002458 0.00067601
-0.00461413 -0.03133227 -0.04425284
22.33979522 8.96772189 -4.49421695
-0.00102293 -0.00063838 -0.00023905
0.01449078 -0.01146494 -0.00241307
-7.47659986 4.68792141 9.07724350
-0.00048828 0.00013549 -0.00039918
0.00323281 -0.00981628 0.00050272
-7.32663839 6.47099570 11.28158169
0.00029284 -0.00050686 -0.00120014
-0.00976444 0.00077288 -0.01647007
-3.09443165 -16.36776059 12.05556486
-0.00035290 0.00035517 -0.00037422
0.01327712 -0.00212383 -0.00400287
-4.38395407 -13.98902123 11.84098073
0.00038938 0.00006995 0.00007726
-0.01072576 0.01963079 -0.00200179
7.97452638 0.13201267 -3.21955646
0.00077089 0.00006275 -0.00099777
-0.00538381 0.00035269 0.03229321
7.62681982 2.06720676 -5.52814388
0.00021070 -0.00045501 -0.00008433
-0.00406929 0.01659265 -0.00148478
0.91009666 -10.32267295 2.11267791
0.00063468 -0.00083355 -0.00074228
-0.00134473 -0.00215760 -0.00861521
0.62683208 -8.37798817 -0.04163201
-0.00067080 0.00035172 -0.00038955
-0.00189731 0.00711778 0.00412179
-19.83807672 -1.59483490 6.65712369
0.00017858 0.00047120 0.00028386
-0.00559988 0.00058155 -0.02570319
-20.67669812 0.21938842 4.29054186
-0.00017148 -0.00035496 -0.00019000
0.00955468 -0.03617823 0.01114055
-3.57594621 7.79724001 -24.92537887
-0.00037234 -0.00018152 -0.00082594
-0.01643937 0.01696458 0.04018772
-4.37894400 8.74849629 -21.93632742
-0.00083647 0.00020269 -0.00042229
0.00703219 -0.00936777 -0.03181867
3.22193878 0.84694765 -1.23705152
0.00081420 0.00068943 0.00055743
0.01713483 -0.00671416 0.00787636
0.86409374 1.93152059 -2.05840746
0.00049168 0.00067864 -0.00045952
0.00344573 0.00718881 0.00368375
16.30448009 7.74586530 6.32993081
-0.00004582 -0.00014490 -0.00055589
-0.00806683 -0.01077400 0.00653990
15.85660239 9.25604260 4.14278148
-0.00002773 -0.00088693 0.00026421
0.00742251 0.06323210 -0.03285302
-0.33579252 -11.82837301 -13.47441605
-0.00006781 0.00005077 0.00023589
0.00548347 -0.00649855 0.00348674
-13.92322512 14.57502333 22.06562094
-0.00003473 -0.00009186 0.00013631
0.00365831 -0.00104183 0.00054841
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02792197
0.32041211
426.93307069
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1360086533
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4620469651 (a.u.)
total exchange computation time: 2.6824011803 s
-154.4339420474
-931.34880584
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1360086533
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.4604734427 (a.u.)
total exchange computation time: 2.6834321022 s
-154.4469648947
Anderson extrapolation: theta=1.3910392021 (1.3910392021)
-931.34910882
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1360086533
ExchangeOperator: bisection time: 1.699 s
total exchange = -52.4581489066 (a.u.)
total exchange computation time: 2.6834890842 s
-154.4657255936
Anderson extrapolation: theta=0.0704703893 (0.0704703893)
-931.34930273
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1360086533
ExchangeOperator: bisection time: 1.695 s
total exchange = -52.4578917558 (a.u.)
total exchange computation time: 2.6835441589 s
-154.4675463211
Anderson extrapolation: theta=2.3319170585 (2.0000000000)
-931.34931448
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1360086533
ExchangeOperator: bisection time: 1.697 s
total exchange = -52.4573680793 (a.u.)
total exchange computation time: 2.6839220524 s
-154.4711652096
Anderson extrapolation: theta=0.4060432818 (0.4060432818)
-931.34933022
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1360086533
ExchangeOperator: bisection time: 1.696 s
total exchange = -52.4571788934 (a.u.)
total exchange computation time: 2.6825699806 s
-154.4724016234
Anderson extrapolation: theta=0.9381093299 (0.9381093299)
-931.34933456
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1360086533
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4570466453 (a.u.)
total exchange computation time: 2.6833040714 s
-154.4731861192
Anderson extrapolation: theta=0.5056411470 (0.5056411470)
-931.34933747
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1360086533
ExchangeOperator: bisection time: 1.694 s
total exchange = -52.4570240936 (a.u.)
total exchange computation time: 2.6846380234 s
-154.4732257913
Anderson extrapolation: theta=0.7248151080 (0.7248151080)
-931.34933852
-164.355888 49.854262 -160.635658
-134.068060 458.961530 -798.064384
-298.423948 508.815792 -958.700042
1125.635879
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1360086533
ExchangeOperator: bisection time: 1.691 s
total exchange = -52.4570409159 (a.u.)
total exchange computation time: 2.6365871429 s
680.15643929
-1086.78528665
89.77974736
-387.00003206
-175.04316601
79.97959107
551.60419304
0.00000000
-931.34933899
-10.79556559 -4.22374617 6.73854959
-0.00032414 0.00003329 -0.00014046
0.02141644 -0.01545192 0.03458068
-14.19890513 3.47740085 9.49591916
0.00007895 0.00007498 -0.00012999
-0.01037910 -0.00106342 0.00876876
-15.98446698 1.24809463 3.54387998
-0.00006424 0.00012897 -0.00007902
0.07141267 0.03488541 -0.00138274
2.37368306 -19.78617118 12.84529766
0.00027409 -0.00010266 -0.00003531
-0.04506999 -0.00368604 -0.06257910
9.52635429 20.43898157 0.78104451
0.00006794 -0.00011812 0.00051996
0.02645332 0.02460536 -0.01076873
-11.68787617 12.73998944 15.07688603
-0.00057857 -0.00040622 0.00002743
0.01705823 -0.01694354 -0.01018874
-6.39211591 1.58491968 -12.08942476
0.00017590 -0.00022404 -0.00020691
0.00496628 -0.03975661 0.01093268
-7.41926497 7.81077663 -5.89043702
0.00011142 -0.00001920 0.00005638
0.01872264 0.00632787 -0.01769961
-7.60910339 -4.53938955 17.93435917
-0.00015938 0.00037936 -0.00022253
0.03006339 -0.00262055 -0.03546185
-23.39165670 -4.77982777 -22.46199590
-0.00017436 -0.00045567 -0.00006054
-0.00183032 0.00950046 -0.01858439
6.64491427 12.78350602 6.05277714
0.00001366 -0.00001810 0.00015830
-0.00053171 -0.00697668 -0.00241935
24.63879213 30.32080088 -2.76815865
0.00008773 0.00013210 -0.00036007
0.02034408 -0.03286007 0.00183205
7.90557622 -1.31753042 -14.29377595
0.00005137 0.00004481 -0.00048464
-0.00475034 0.01365211 0.02146288
-7.09639880 -0.88101124 14.29497790
-0.00025746 -0.00007326 0.00020161
0.01031460 0.01574547 0.00989080
-1.98121520 -26.20264497 11.30188458
0.00001674 -0.00012486 0.00003005
0.01397504 -0.00353880 0.02397331
-14.30256433 -4.67498246 -7.10746499
0.00026928 0.00012375 0.00017418
0.00190479 -0.00312021 -0.00898492
-19.99297950 -12.44657446 -17.90078204
-0.00021770 -0.00011406 0.00002133
-0.00567754 -0.03966736 -0.01196028
22.59816475 3.61143475 3.12899718
0.00017547 -0.00010099 -0.00019322
0.01195860 0.02209381 -0.02174230
17.80499403 -9.98108710 -14.33845872
-0.00005848 -0.00030839 0.00002661
0.03907131 -0.01953650 -0.02136228
-2.24553810 1.96215133 -7.26624986
0.00034743 -0.00016622 0.00031258
-0.00506305 0.02052567 0.02590857
-4.06306096 -3.00934688 -15.63536384
-0.00016902 -0.00006841 0.00000235
0.02790924 -0.00148890 0.01721663
13.42567112 17.15340385 -20.29607493
0.00000196 0.00020889 0.00036416
-0.02695946 -0.02378635 -0.00141383
-16.60922318 16.03395199 -12.06401320
0.00065830 -0.00000908 -0.00014645
0.03576504 0.02320306 0.00841246
1.33797830 14.20392457 7.57258047
0.00052141 0.00023046 -0.00004446
-0.01006265 0.03712788 0.00863761
-5.14186187 -9.57221701 2.02456943
-0.00015832 -0.00006823 0.00013197
0.04440037 -0.02774719 0.02074760
3.10352192 -6.19865235 2.45005297
-0.00008483 -0.00065027 0.00013204
0.02902212 -0.04259905 -0.01533738
10.84268127 4.81870086 4.71216483
0.00000407 0.00009554 -0.00040181
0.03956851 -0.01484161 0.00722081
-8.55465737 -9.78829030 -2.49556381
0.00006126 0.00033666 -0.00052011
-0.00339705 0.01022977 -0.00931241
3.07434055 -15.94065044 -13.31302032
0.00015014 -0.00022174 0.00035189
0.03303577 -0.03582921 0.01745342
4.86051808 -8.47732885 -5.81895022
0.00001329 0.00002473 0.00049812
0.00299911 0.00166229 0.02238182
18.53640021 0.66905809 24.88684050
0.00014378 0.00025154 -0.00027041
-0.00612496 0.01194185 0.00340239
-8.00496234 3.16209771 0.97728181
-0.00041918 -0.00007923 0.00011981
-0.03113090 -0.00243979 0.02729638
-7.97277292 14.20619635 -10.69195854
0.00021039 -0.00006430 0.00020367
0.03475981 0.01532769 -0.02118864
1.65756001 11.35295153 -9.07229464
0.00012195 -0.00008682 0.00012228
-0.00995558 0.01188777 0.01184975
-11.91467118 9.86697415 -13.75434029
0.00028614 0.00031435 -0.00028429
-0.00780138 0.01951253 -0.04247128
7.35887818 4.17941598 14.71065985
-0.00031370 -0.00003963 0.00012178
-0.00064522 -0.00645482 -0.03139854
-14.59055779 9.49420667 -9.47803905
-0.00002020 -0.00035905 0.00030619
0.02418640 0.00335247 0.02407407
8.51531590 8.42423773 -3.07946451
0.00004438 -0.00032454 -0.00018758
-0.05516188 0.02549211 0.01319531
13.62225761 -20.35972716 -25.74568931
0.00016982 -0.00007244 0.00004627
0.00560658 -0.00554836 -0.01031984
6.32165657 6.40270519 2.75368935
0.00017016 0.00027250 -0.00001306
0.00638419 0.05402037 -0.02779903
19.28987468 -5.78600129 -6.37771754
-0.00014194 0.00000860 -0.00028079
-0.04274922 0.03283343 -0.00361935
-1.73511014 0.13460418 -2.39568754
-0.00003354 -0.00011481 -0.00025192
-0.03199192 0.00086191 0.00608593
2.44184073 -1.94205098 -12.48716319
-0.00005888 0.00020503 0.00016982
0.02945116 -0.02495699 0.01441776
20.72346816 9.28155511 -5.26238087
-0.00036571 0.00018824 0.00006309
-0.03075316 0.03796363 0.03482004
-7.48916841 6.48444109 9.43230295
0.00012577 -0.00001510 0.00009767
-0.00649043 0.00762752 0.01633937
-2.70231098 -14.60428549 11.70856125
0.00005646 0.00000627 -0.00040613
0.00734570 -0.01552051 0.00837737
8.17416012 0.44135434 -4.94297203
-0.00019150 0.00021119 0.00001026
0.02070715 -0.04007762 -0.03015222
0.00013663 -9.99391775 0.52947037
-0.00004215 -0.00011201 0.00002054
-0.00136419 -0.00670316 -0.00526712
-20.01996382 -1.54461108 4.72233965
-0.00018435 0.00029386 0.00009724
-0.01383857 0.03682335 0.01276927
-4.75833590 7.64634889 -23.40864337
0.00028024 0.00002839 -0.00024978
0.00840089 -0.00185900 -0.00784386
2.58966126 2.49667525 -1.54011055
-0.00008178 -0.00048414 0.00044016
-0.02010192 0.01107752 -0.01137933
15.51324578 7.65458254 4.68344706
0.00001455 -0.00024535 0.00008150
-0.00693519 -0.05525273 0.01638276
-9.29566209 -5.11134813 7.41417485
0.00047066 0.00058169 0.00040577
-0.02152188 0.00847157 -0.01208194
-10.60557378 -3.99600082 4.96196742
-0.00021939 0.00094511 0.00032487
0.01012909 -0.00250967 -0.01571320
-13.13171044 4.88682718 9.17515212
0.00061039 -0.00052627 -0.00078866
0.01136771 0.01097730 -0.00866295
-13.43014170 2.02833690 8.67507164
0.00034834 -0.00065300 -0.00019409
0.00249005 0.00372922 -0.00421615
-14.57565967 0.86902265 4.74506364
-0.00071159 0.00124757 0.00007234
-0.02694442 0.00809271 -0.00944113
-17.18739059 0.02950460 3.91377478
0.00032532 -0.00002662 0.00018902
-0.03834897 -0.03820056 0.01322928
2.31501391 -21.23569615 11.60053885
0.00091001 0.00013135 0.00005834
0.00584210 0.01898958 0.01987306
3.51396901 -20.20524985 14.06935645
-0.00057825 0.00025144 0.00040753
0.04482531 -0.01214995 0.04070656
8.78372840 18.80168739 0.56069635
0.00006088 -0.00017161 0.00068043
-0.01998008 -0.00444648 0.00728118
8.63836477 21.75981372 1.73365524
0.00061310 0.00015731 0.00039035
-0.01339346 -0.02189047 -0.00715543
-10.44329504 12.41251072 16.37409475
-0.00091500 -0.00048404 -0.00032628
0.00104290 -0.00153777 0.00768782
-12.55891498 14.21734355 15.56385619
-0.00004565 -0.00006422 0.00092168
-0.01031560 0.02404031 0.00614852
-5.89308490 0.13461634 -13.17539504
0.00066570 0.00022504 0.00005950
-0.00427653 0.02254718 0.01077899
-6.66711871 0.71098988 -10.36566800
0.00006249 0.00036303 -0.00087996
-0.00145800 0.01839927 -0.03094875
-6.70176992 6.54858314 -4.81716432
-0.00029494 0.00008944 -0.00056716
0.00032092 -0.00628213 0.00602538
-9.17340420 7.65422876 -5.64627001
0.00002133 0.00036099 0.00053370
-0.02509019 -0.00312795 0.00273443
-8.69678518 -3.50780989 18.82752299
0.00027963 -0.00000857 0.00027757
-0.02621640 0.02439993 0.02680161
-7.70867542 -6.19092095 18.60590342
0.00017431 0.00047878 -0.00023609
-0.00521422 -0.02597139 0.01275092
-23.26911571 -3.26652600 -23.58624206
0.00045508 0.00015921 -0.00007740
-0.00557045 -0.01229013 0.02558031
-23.57537448 -4.26476110 -20.71357389
0.00095613 -0.00073923 -0.00025808
0.00170681 0.00622656 -0.01283731
6.90997575 13.25164281 4.32242908
-0.00034972 -0.00014017 -0.00048637
-0.00306146 0.01008995 -0.01120964
8.01053605 11.58525201 6.29699415
-0.00025334 0.00057435 -0.00048866
0.00583924 -0.00483738 0.01412496
24.43416433 28.65567368 -1.96368064
0.00025270 0.00050038 -0.00017645
0.00603318 0.01237882 -0.01325554
23.82027074 31.45317081 -1.65801510
-0.00014100 -0.00004912 -0.00017001
-0.01056937 0.02607183 0.02763929
9.34229280 -2.47333169 -13.99074607
0.00072885 0.00017230 -0.00125740
-0.00478225 0.00369366 -0.00662519
7.27252642 -0.65615389 -12.68459135
0.00089213 0.00050480 0.00069837
0.00350765 -0.01489374 -0.01351727
-7.30460455 -0.43924924 16.04592349
-0.00069503 -0.00042323 -0.00042635
0.01468386 0.03383034 0.01275879
-8.05483121 -2.32663362 14.55916045
-0.00089739 0.00077269 -0.00062929
-0.02100489 -0.04894759 -0.01933974
-2.59043723 -26.85879659 12.98996673
0.00021566 0.00033012 0.00075194
0.00764813 0.00600281 -0.02068383
-3.24502966 -26.05910427 10.02913999
0.00073089 0.00051332 -0.00024994
-0.01209642 0.00035429 -0.00830019
-13.72272731 -3.04248358 -6.54166244
-0.00057479 0.00022246 0.00037826
-0.00517378 0.01006768 0.00451152
-15.01658991 -4.46971115 -8.78680993
-0.00012711 0.00009716 0.00015900
0.00190567 -0.00400361 0.00219673
-18.66690781 -11.77846897 -16.95552103
-0.00037624 0.00049152 0.00096747
0.02768217 0.04410286 0.03253060
-18.88995931 -13.90010748 -18.28731291
0.00059213 -0.00023225 0.00027242
-0.01354833 -0.00268815 -0.01425427
23.03974127 3.77865137 1.32354544
0.00086012 -0.00044276 0.00009681
-0.00504417 -0.02660164 0.00592079
23.22306876 5.27878154 3.51090308
-0.00031355 0.00023872 0.00011094
-0.00452401 0.00175470 0.02625290
16.47453267 -9.40414334 -13.35159457
-0.00061518 -0.00103232 0.00065968
-0.03702565 0.01516174 0.02565875
17.64377551 -9.27432442 -16.00349706
-0.00049125 -0.00079788 -0.00109774
-0.00369519 0.00305622 -0.00615547
-0.58504451 2.54294437 -7.78802051
-0.00039016 0.00026286 0.00000233
0.00455038 -0.00970043 -0.01032678
-2.84988506 0.71680731 -8.39497207
0.00088610 -0.00136228 0.00099400
-0.00167829 -0.01295252 -0.01462813
-5.63458233 -2.93370133 -16.43578283
-0.00029043 -0.00058645 -0.00021181
-0.02805770 0.00020126 -0.01783538
-2.97332699 -2.04805345 -16.75768553
-0.00030569 0.00024539 0.00023911
-0.00506002 0.00172201 0.00173816
12.85586018 18.53669907 -21.30127134
-0.00050815 -0.00007008 0.00044755
0.00662039 0.02465719 -0.00417206
11.80029365 16.20243126 -20.54008722
-0.00047406 0.00031543 0.00046767
0.02138680 -0.00379888 0.00753994
-15.27650917 15.45207388 -13.21631546
-0.00129993 0.00021593 0.00001373
-0.00877941 0.00452738 0.00313490
-17.97508558 14.99815719 -12.51966599
0.00059754 0.00060132 -0.00052357
-0.02801322 -0.02457592 -0.00447770
2.51104505 15.01336525 6.39609787
0.00040009 0.00119964 0.00055364
-0.00777399 -0.00838726 -0.00386075
0.27107401 15.62734594 8.22344894
0.00188312 0.00014633 -0.00063955
0.01403704 -0.02450390 -0.00951025
-6.28969104 -8.38863021 1.44088347
-0.00110513 0.00020263 -0.00081524
-0.02696950 0.03346899 -0.01534569
-3.43408205 -9.01723003 1.48046436
0.00017108 -0.00055276 0.00077133
-0.01237286 -0.00958543 0.00045753
2.70611950 -4.55498456 2.86787144
-0.00056949 0.00114858 -0.00039868
-0.01621411 0.05162404 0.01590220
4.61390821 -6.00407241 1.39204927
-0.00034818 0.00050325 -0.00028854
-0.00596973 -0.01000190 0.00713276
9.48670219 5.84589099 4.19710381
-0.00064610 0.00002866 0.00051178
-0.02750450 0.01701786 -0.01002495
12.33786664 5.92665276 4.72296895
-0.00022595 0.00047701 -0.00019138
-0.00654605 -0.00325188 0.00476851
-7.71823805 -11.34751099 -2.08408296
0.00020421 -0.00067184 0.00087590
0.00703602 -0.00633411 -0.00055661
-9.97624596 -9.57821541 -1.38070751
0.00056637 -0.00043758 0.00046858
-0.00411050 0.00126080 0.00427305
4.68312254 -16.98728133 -13.48647637
-0.00005769 0.00058184 -0.00179224
-0.02752904 0.02669563 -0.00787713
2.60256829 -16.76317641 -11.71018967
0.00103301 0.00112295 -0.00070190
-0.00699735 0.00985984 -0.00907905
5.97599390 -6.98135282 -5.99774852
0.00038008 0.00054215 -0.00100261
-0.01147714 -0.00735176 0.00290621
4.93140343 -8.91269235 -4.01116407
-0.00039899 0.00045071 -0.00042803
0.00095654 0.00781737 -0.01845298
17.06003668 1.57903923 24.28212359
0.00003372 0.00039301 0.00054386
-0.01440866 -0.00759136 -0.00264704
19.39512013 2.14140887 25.57065138
-0.00023019 0.00086660 -0.00078893
0.01405480 -0.00644838 -0.00076930
-9.49991654 2.96573237 2.13374644
-0.00090369 0.00003831 0.00023223
0.01941747 0.00027131 -0.00977948
-7.85127691 4.97119117 1.04661491
-0.00027816 -0.00002136 -0.00051105
0.01336754 0.00723437 -0.00479320
-6.76542482 14.96781724 -9.54902137
0.00139092 -0.00023031 0.00096072
-0.00369109 -0.00380507 -0.00065098
-9.39092462 13.80664673 -9.69298157
-0.00039528 0.00021423 0.00053565
-0.02725367 -0.01149130 0.01921692
0.13099160 11.06241462 -8.09244998
-0.00038482 0.00002559 -0.00033915
-0.00175928 -0.00884427 -0.00572649
2.39197306 12.57998632 -7.88090782
-0.00018221 0.00108449 0.00081509
0.01545031 -0.00377901 -0.01228464
-10.47363671 8.82585273 -13.76586737
-0.00012768 0.00013165 0.00018376
0.02110962 -0.01537701 0.00701889
-12.76420754 9.81664984 -12.18957843
0.00017956 -0.00005369 0.00113685
-0.01226743 -0.00470255 0.03055244
7.19870075 5.93618083 14.75456538
-0.00032260 0.00042617 0.00019500
-0.00255261 0.04215988 0.01992736
7.62649656 4.13554387 12.87103808
-0.00107000 0.00131068 0.00006918
0.00191040 -0.02388349 0.00378469
-14.07417951 10.63928036 -8.05243276
-0.00017553 0.00094932 0.00051505
-0.00128726 -0.01242862 -0.02141227
-16.36258875 9.39705067 -9.43805835
-0.00010185 0.00069161 -0.00020225
-0.03010273 0.00424363 -0.00274371
9.04003374 9.79387824 -1.96156221
-0.00109937 0.00052582 0.00021867
0.00514628 -0.00536141 -0.00598267
6.63381462 8.94468281 -3.17598476
0.00102537 -0.00016140 -0.00132131
0.04584366 -0.02177242 -0.00442020
12.03336579 -20.53930575 -26.56775828
0.00077043 0.00014437 -0.00011418
-0.01511713 -0.00023708 -0.00819659
13.21366838 -19.76794974 -24.04847431
-0.00033738 0.00066167 0.00032464
0.01068235 -0.00223746 0.00348067
5.86989395 4.71843410 2.82131353
-0.00101704 0.00044030 -0.00111973
-0.01225291 -0.06081679 0.01296543
6.54713037 6.61129236 0.92229612
-0.00093894 0.00026070 -0.00054274
0.00226651 0.00686942 0.01383744
20.40904849 -6.68147036 -5.36391435
-0.00002931 0.00053378 -0.00094965
0.02356605 -0.01971398 0.02179085
18.11631526 -4.85854324 -5.22325935
-0.00026718 -0.00074114 -0.00045133
0.01400467 -0.01432804 -0.01497887
-3.36634328 0.24933058 -1.37976693
0.00036728 -0.00084300 0.00068804
0.04035019 0.00251333 -0.02443151
-2.02498544 0.69449893 -4.16597214
0.00066631 0.00092835 0.00000028
-0.00891865 -0.00279218 0.00664875
3.76346813 -3.35687149 -12.16103187
-0.00046627 -0.00066522 0.00058865
-0.02181711 0.02590971 -0.01095168
0.90342191 -2.56657479 -11.66514603
-0.00085047 0.00034104 0.00137825
-0.00684818 -0.00498630 -0.00237370
20.58000883 8.31391742 -6.69371245
-0.00068877 -0.00010680 0.00048994
-0.00525297 -0.03297860 -0.04683006
22.32489535 8.95779494 -4.49787669
-0.00095588 -0.00068568 -0.00024451
0.01832774 -0.01169096 -0.00025739
-7.48382496 4.68965288 9.07127121
-0.00047503 0.00009555 -0.00039778
0.00325320 -0.00973182 0.00018266
-7.32254493 6.46341655 11.26307482
0.00025473 -0.00050315 -0.00124857
-0.00889116 0.00104187 -0.00723501
-3.09931837 -16.36249818 12.04982885
-0.00029856 0.00034247 -0.00039022
0.01332464 -0.00408903 -0.00382638
-4.37844206 -13.98737046 11.84207834
0.00034174 0.00015244 0.00006930
-0.01259147 0.02074744 -0.00189499
7.98592482 0.13296467 -3.23353345
0.00074678 0.00006138 -0.00084594
-0.00642221 -0.00102036 0.04202937
7.62985563 2.06089010 -5.52945435
0.00019094 -0.00037810 -0.00009285
-0.00560443 0.02105620 -0.00268706
0.91957567 -10.33524235 2.10127972
0.00063070 -0.00084139 -0.00077475
-0.00060453 -0.00167671 -0.00727972
0.61671195 -8.37249420 -0.04734895
-0.00067969 0.00037589 -0.00037002
-0.00245646 0.00471258 0.00543869
-19.83556969 -1.58774905 6.66059402
0.00015505 0.00047333 0.00017772
-0.00591362 0.00046136 -0.02625365
-20.67897754 0.21295547 4.28803328
-0.00013433 -0.00049696 -0.00014533
0.00863266 -0.03333301 0.01072187
-3.58203499 7.79503711 -24.93653652
-0.00043838 -0.00011077 -0.00066072
-0.01589118 0.01766804 0.04069073
-4.39127549 8.75124959 -21.94363675
-0.00080514 0.00016729 -0.00054976
0.00830172 -0.00795904 -0.03058098
3.23467688 0.85708329 -1.22844875
0.00088614 0.00065071 0.00059100
0.01808065 -0.01223803 0.00855497
0.87157456 1.94192047 -2.06518732
0.00050147 0.00070316 -0.00044498
0.00134622 0.00481327 0.00343078
16.30354556 7.74336171 6.32179280
-0.00007491 -0.00018923 -0.00052055
-0.00616944 -0.01092587 0.01076058
15.85641385 9.24467625 4.14573788
0.00000464 -0.00061726 0.00012531
0.00842302 0.06877211 -0.03513856
-0.33679496 -11.82762893 -13.47086839
-0.00006585 0.00004849 0.00023710
0.00546691 -0.00625719 0.00329138
-13.92373974 14.57364362 22.06766659
-0.00003387 -0.00009210 0.00013645
0.00376096 -0.00101565 0.00060077
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02796229
0.32137670
428.21834443
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569040698
ExchangeOperator: pair fraction: ispin=0: 0.1370470525
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.4613077065 (a.u.)
total exchange computation time: 2.7724118233 s
-154.4301896554
-931.35169201
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569040698
ExchangeOperator: pair fraction: ispin=0: 0.1370470525
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.4597398353 (a.u.)
total exchange computation time: 2.7741911411 s
-154.4433521283
Anderson extrapolation: theta=1.3582812709 (1.3582812709)
-931.35197836
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569040698
ExchangeOperator: pair fraction: ispin=0: 0.1370470525
ExchangeOperator: bisection time: 1.604 s
total exchange = -52.4574649929 (a.u.)
total exchange computation time: 2.7764220238 s
-154.4620663151
Anderson extrapolation: theta=0.0572723605 (0.0572723605)
-931.35215231
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569040698
ExchangeOperator: pair fraction: ispin=0: 0.1370470525
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.4572271398 (a.u.)
total exchange computation time: 2.7746310234 s
-154.4638346528
Anderson extrapolation: theta=2.0709744487 (2.0000000000)
-931.35216008
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569040698
ExchangeOperator: pair fraction: ispin=0: 0.1370470525
ExchangeOperator: bisection time: 1.608 s
total exchange = -52.4567295297 (a.u.)
total exchange computation time: 2.7733430862 s
-154.4674897146
Anderson extrapolation: theta=0.2728313559 (0.2728313559)
-931.35216943
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569040698
ExchangeOperator: pair fraction: ispin=0: 0.1370470525
ExchangeOperator: bisection time: 1.602 s
total exchange = -52.4565976043 (a.u.)
total exchange computation time: 2.7755110264 s
-154.4684220556
Anderson extrapolation: theta=1.5717436543 (1.5717436543)
-931.35217157
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569040698
ExchangeOperator: pair fraction: ispin=0: 0.1370470525
ExchangeOperator: bisection time: 1.605 s
total exchange = -52.4564263414 (a.u.)
total exchange computation time: 2.7746148109 s
-154.4695868890
Anderson extrapolation: theta=0.3296455033 (0.3296455033)
-931.35217395
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569040698
ExchangeOperator: pair fraction: ispin=0: 0.1370470525
ExchangeOperator: bisection time: 1.601 s
total exchange = -52.4564064943 (a.u.)
total exchange computation time: 2.7713739872 s
-154.4696721612
Anderson extrapolation: theta=1.1310054254 (1.1310054254)
-931.35217460
-164.374778 49.927574 -160.619548
-134.077945 459.023237 -798.101564
-298.452723 508.950811 -958.721112
1125.722491
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569040698
ExchangeOperator: pair fraction: ispin=0: 0.1370470525
ExchangeOperator: bisection time: 1.603 s
total exchange = -52.4564121332 (a.u.)
total exchange computation time: 2.7728791237 s
680.13584116
-1086.74404424
89.78238718
-387.02913535
-175.04081170
79.95825408
551.60419304
0.00000000
-931.35217508
-10.80034508 -4.22330637 6.73657611
-0.00031256 0.00002487 -0.00012170
0.02361849 -0.01729408 0.03837231
-14.19776087 3.47852137 9.49400317
0.00007426 0.00007342 -0.00012620
-0.00785256 -0.00498333 0.00597626
-15.98515511 1.25016376 3.54268939
-0.00002850 0.00014709 -0.00008034
0.06756469 0.03555498 -0.00374404
2.37762050 -19.78772528 12.84452659
0.00025069 -0.00010408 -0.00006760
-0.04592676 -0.00184702 -0.06296335
9.52747538 20.43730475 0.78880243
0.00008167 -0.00010577 0.00051419
0.02696553 0.02339605 -0.01168854
-11.69648889 12.73383075 15.07725812
-0.00057079 -0.00041392 0.00002190
0.01317251 -0.01300950 -0.01130202
-6.38945831 1.58140569 -12.09248622
0.00017839 -0.00024347 -0.00020177
0.00474437 -0.03579652 0.00904627
-7.41752141 7.81051299 -5.88965954
0.00012008 -0.00001515 0.00004662
0.01496227 0.00943944 -0.02026108
-7.61137816 -4.53370933 17.93088449
-0.00014377 0.00037778 -0.00024098
0.03064502 -0.00351887 -0.03628537
-23.39427910 -4.78662621 -22.46297561
-0.00017513 -0.00045035 -0.00007126
-0.00116150 0.01119920 -0.02312261
6.64511713 12.78320764 6.05514237
0.00001263 -0.00002061 0.00015573
-0.00346890 -0.00279482 -0.00759808
24.64018654 30.32265556 -2.77355260
0.00009795 0.00011589 -0.00035901
0.01938492 -0.03016972 0.00228733
7.90632844 -1.31680560 -14.30096272
0.00004871 0.00005224 -0.00047224
-0.00559301 0.01523839 0.02674859
-7.10022095 -0.88204940 14.29804027
-0.00025156 -0.00006473 0.00020538
0.01262882 0.01742397 0.00476569
-1.98091014 -26.20453158 11.30242782
0.00002444 -0.00012671 0.00004313
0.01596786 -0.00362458 0.02688032
-14.29851781 -4.67313832 -7.10488699
0.00026999 0.00012190 0.00016920
0.00087770 -0.00404207 -0.01037414
-19.99626687 -12.44843835 -17.90050827
-0.00021888 -0.00013437 0.00001593
0.00107469 -0.03931708 -0.00902347
22.60084298 3.61000508 3.12601498
0.00018171 -0.00008928 -0.00020392
0.01228880 0.02343679 -0.01985817
17.80426748 -9.98578827 -14.33814195
-0.00003954 -0.00031737 0.00001498
0.03458591 -0.01537551 -0.02385563
-2.24034615 1.95973716 -7.26146123
0.00034390 -0.00015630 0.00032568
-0.00866869 0.01804495 0.02504686
-4.06548857 -3.01037874 -15.63526215
-0.00015529 -0.00006915 0.00001105
0.02545735 -0.00139973 0.01662482
13.42559650 17.15644547 -20.29061799
-0.00001228 0.00019635 0.00036341
-0.02839304 -0.02498072 -0.00149886
-16.59921075 16.03390522 -12.06617752
0.00067465 0.00000362 -0.00014041
0.02780558 0.02618800 0.01509021
1.34576059 14.20752464 7.57194695
0.00051727 0.00024871 -0.00004064
-0.00602256 0.03383456 0.00618297
-5.14406545 -9.57334748 2.02662895
-0.00013771 -0.00008070 0.00014185
0.03574797 -0.02075693 0.01770008
3.10236145 -6.20857068 2.45197436
-0.00007075 -0.00066760 0.00012510
0.02571703 -0.02479374 -0.01163953
10.84289501 4.82007675 4.70616558
0.00002395 0.00008827 -0.00039825
0.03772696 -0.01342863 0.00660309
-8.55375155 -9.78320098 -2.50340136
0.00006038 0.00033952 -0.00052381
-0.00004319 0.00089824 -0.00506902
3.07672006 -15.94411468 -13.30767466
0.00016738 -0.00023822 0.00035790
0.03400219 -0.02828589 0.00590502
4.86072899 -8.47695148 -5.81139203
0.00001529 0.00002687 0.00050733
0.00477429 0.00667536 0.01341965
18.53853330 0.67287722 24.88279753
0.00014078 0.00025795 -0.00026851
-0.00552880 0.01301282 0.00398151
-8.01137015 3.16089979 0.97918426
-0.00043553 -0.00008047 0.00013405
-0.03245702 -0.00235839 0.02809489
-7.96948302 14.20529104 -10.68898525
0.00022851 -0.00005593 0.00019492
0.03570464 0.01721002 -0.01283970
1.65935087 11.35169508 -9.07041476
0.00011726 -0.00007955 0.00012953
-0.00829085 0.01639697 0.01636456
-11.91040915 9.87176469 -13.75876841
0.00028042 0.00032445 -0.00030328
-0.01444165 0.01975593 -0.03137041
7.35417017 4.17879657 14.71236547
-0.00031421 -0.00004142 0.00010572
-0.00134959 -0.00048622 -0.03107391
-14.59076748 9.48883383 -9.47335339
-0.00000765 -0.00035660 0.00031939
0.02459561 0.00616694 0.02727727
8.51576877 8.41946789 -3.08222736
0.00001738 -0.00031080 -0.00018018
-0.04982001 0.02794334 0.01559658
13.62482649 -20.36083514 -25.74503508
0.00017328 -0.00007481 0.00004241
0.00786706 -0.00365778 -0.00469260
6.32423360 6.40700107 2.75338621
0.00017327 0.00029952 -0.00002798
0.00570971 0.05104321 -0.03023348
19.28758075 -5.78574564 -6.38194333
-0.00016434 0.00002570 -0.00028379
-0.04436225 0.03367393 -0.00803585
-1.73573668 0.13288535 -2.39944288
-0.00004964 -0.00011455 -0.00024846
-0.03061420 0.00013121 0.00735940
2.44107112 -1.93907175 -12.48456032
-0.00004504 0.00019112 0.00017821
0.02435731 -0.02915689 0.01821836
20.71786388 9.28452518 -5.26130024
-0.00038219 0.00020788 0.00008056
-0.03334393 0.03838412 0.03313753
-7.48730686 6.48424405 9.43383099
0.00012219 -0.00001137 0.00010347
-0.00743014 0.00687973 0.00621462
-2.70143577 -14.60425136 11.70250168
0.00006053 -0.00000141 -0.00040190
0.00848282 -0.01434107 0.00806974
8.17136743 0.44436767 -4.94293448
-0.00018032 0.00018984 -0.00000704
0.02277545 -0.04297803 -0.03710216
-0.00050095 -9.99562375 0.52975817
-0.00004296 -0.00011494 0.00001718
-0.00177962 -0.00471180 -0.00780199
-20.02278245 -1.54006114 4.72384750
-0.00019104 0.00031176 0.00010401
-0.01216794 0.03278174 0.01355999
-4.75409990 7.64676757 -23.41242038
0.00028397 0.00002684 -0.00025413
0.00610248 -0.00415186 -0.00906142
2.58835700 2.48945592 -1.53355200
-0.00009163 -0.00047655 0.00043428
-0.01820999 0.01844000 -0.01148838
15.51343730 7.65068916 4.68473274
0.00001041 -0.00027424 0.00008910
-0.00914951 -0.05707373 0.01315664
-9.28926175 -5.10236326 7.41989114
0.00037714 0.00061926 0.00035328
-0.02425683 0.00992230 -0.01360972
-10.60855429 -3.98190102 4.96635895
-0.00017681 0.00093535 0.00025601
0.01071800 -0.00227205 -0.01799522
-13.12220620 4.87926945 9.16305672
0.00065657 -0.00048087 -0.00082345
0.01123768 0.01124964 -0.00836563
-13.42484026 2.01865617 8.67203115
0.00035351 -0.00063022 -0.00020671
0.00004142 0.00742410 -0.00196391
-14.58715916 0.88798420 4.74585937
-0.00081488 0.00127875 0.00003853
-0.02361758 0.00717065 -0.00710819
-17.18368590 0.02793468 3.91701542
0.00016915 -0.00018206 0.00024283
-0.03809674 -0.03788547 0.01311096
2.32884300 -21.23314403 11.60202287
0.00093340 0.00020631 0.00013746
0.00561008 0.01770262 0.01885668
3.50666880 -20.20185051 14.07671681
-0.00039295 0.00020085 0.00057715
0.04588211 -0.01261717 0.04232324
8.78402940 18.79897702 0.57112595
-0.00002067 -0.00018858 0.00071044
-0.01994299 -0.00386306 0.00740876
8.64715079 21.76150257 1.73929117
0.00055697 0.00006891 0.00036236
-0.01408063 -0.02138405 -0.00654287
-10.45698806 12.40520295 16.36943620
-0.00090504 -0.00049288 -0.00029001
0.00383029 -0.00278672 0.01006233
-12.55991588 14.21711698 15.57786974
-0.00008533 0.00002922 0.00094441
-0.00910735 0.02169690 0.00497965
-5.88323051 0.13868291 -13.17417222
0.00064941 0.00031268 0.00010029
-0.00369423 0.02035343 0.00918780
-6.66622597 0.71699910 -10.37981582
0.00005591 0.00043461 -0.00099919
-0.00176706 0.01664203 -0.02741451
-6.70618425 6.54973226 -4.82548713
-0.00028924 0.00005650 -0.00053663
0.00247374 -0.00984477 0.00892262
-9.17385317 7.65954769 -5.63818069
-0.00007792 0.00034896 0.00054420
-0.02349087 -0.00275718 0.00240260
-8.69339403 -3.50719082 18.83250787
0.00017114 0.00009327 0.00038887
-0.02689251 0.02545349 0.02767884
-7.70622056 -6.18453513 18.60275285
0.00015315 0.00037175 -0.00018378
-0.00514528 -0.02642025 0.01285448
-23.26246015 -3.26451447 -23.58661921
0.00043173 0.00010425 0.00002990
-0.00586234 -0.01461168 0.02694615
-23.56098022 -4.27565873 -20.71783846
0.00096232 -0.00071231 -0.00030433
0.00132462 0.00695218 -0.00980480
6.90463616 13.24984951 4.31478996
-0.00036403 -0.00010083 -0.00052371
-0.00394632 0.00916610 -0.00706761
8.00691495 11.59371905 6.29009701
-0.00022219 0.00054809 -0.00042896
0.00940470 -0.00801689 0.01510242
24.43813966 28.66355875 -1.96673352
0.00027710 0.00054670 -0.00022904
0.00591147 0.01029253 -0.01249125
23.81783184 31.45323292 -1.65971824
-0.00018273 0.00005593 -0.00005991
-0.00985567 0.02534891 0.02625187
9.35307897 -2.47063406 -14.00981011
0.00070697 0.00018882 -0.00128431
-0.00592884 0.00439314 -0.00654673
7.28601589 -0.64903829 -12.67453004
0.00091005 0.00043915 0.00063263
0.00526252 -0.01724214 -0.01866280
-7.31458005 -0.44456102 16.03991918
-0.00063518 -0.00028291 -0.00036473
0.01461346 0.03485686 0.01740654
-8.06893574 -2.31654311 14.54912841
-0.00098752 0.00056716 -0.00070816
-0.02311273 -0.05166516 -0.01926386
-2.58696795 -26.85366078 13.00061202
0.00024648 0.00035536 0.00066364
0.00744031 0.00634890 -0.02253910
-3.23443701 -26.05139358 10.02513649
0.00067798 0.00051459 -0.00028578
-0.01380139 0.00026399 -0.00924384
-13.73150769 -3.03883811 -6.53585031
-0.00059539 0.00026523 0.00039737
-0.00491187 0.01086867 0.00484135
-15.01843819 -4.46837641 -8.78435763
-0.00011798 0.00008079 0.00016980
0.00256610 -0.00400883 0.00308945
-18.67170310 -11.76974479 -16.94001220
-0.00027380 0.00066510 0.00109208
0.02245996 0.04086688 0.02846766
-18.88149259 -13.90367365 -18.28366335
0.00053385 -0.00023715 0.00021612
-0.01497541 0.00029155 -0.01330451
23.05248850 3.77119480 1.32517897
0.00084013 -0.00055050 0.00011895
-0.00474062 -0.02613669 0.00491908
23.21822681 5.28241618 3.51337166
-0.00033359 0.00024275 0.00021644
-0.00528249 0.00021745 0.02539026
16.46417040 -9.41916360 -13.34091313
-0.00075734 -0.00097398 0.00075594
-0.03256080 0.01339707 0.02146176
17.63629360 -9.28619903 -16.02015185
-0.00050654 -0.00079004 -0.00110932
-0.00379063 0.00078278 0.00048775
-0.59075743 2.54659003 -7.78830198
-0.00036576 0.00022507 -0.00004169
0.00739269 -0.00879982 -0.01122118
-2.83664500 0.69597622 -8.38051025
0.00088083 -0.00141178 0.00093757
-0.00089858 -0.01128044 -0.01299502
-5.63979856 -2.94249195 -16.43950658
-0.00040026 -0.00058604 -0.00028260
-0.02570257 0.00000185 -0.01681522
-2.97806745 -2.04431986 -16.75404557
-0.00032597 0.00025296 0.00024524
-0.00486583 0.00198292 0.00126082
12.84844086 18.53640340 -21.29468595
-0.00048079 0.00003227 0.00042956
0.00676852 0.02544525 -0.00463207
11.79383806 16.20704631 -20.53284116
-0.00038370 0.00030059 0.00049930
0.02284536 -0.00346598 0.00794550
-15.29627717 15.45545164 -13.21601338
-0.00131632 0.00022862 0.00001261
0.00075547 0.00167962 -0.00368584
-17.96698090 15.00642390 -12.52765677
0.00047976 0.00049996 -0.00054094
-0.02964186 -0.02504196 -0.00402379
2.51680813 15.03110288 6.40428414
0.00037020 0.00116280 0.00053586
-0.00685438 -0.00964747 -0.00484252
0.29975103 15.62879003 8.21356434
0.00192991 0.00005509 -0.00067169
0.00886474 -0.02016150 -0.00622553
-6.30709437 -8.38456515 1.42818461
-0.00119750 0.00032341 -0.00087024
-0.01824827 0.02565544 -0.01157778
-3.43189499 -9.02581520 1.49204832
0.00012048 -0.00059024 0.00077180
-0.01239384 -0.00875863 -0.00022841
2.69708023 -4.53617392 2.86237859
-0.00062839 0.00132565 -0.00034134
-0.01261650 0.03505107 0.01216316
4.60850250 -5.99683020 1.38793969
-0.00037324 0.00046066 -0.00025880
-0.00629471 -0.01084410 0.00742891
9.47616784 5.84684230 4.20447332
-0.00075454 0.00009529 0.00047218
-0.02557553 0.01560187 -0.00935829
12.33427683 5.93370832 4.72024445
-0.00025294 0.00046349 -0.00017212
-0.00666536 -0.00336996 0.00465698
-7.71495932 -11.35778267 -2.07096150
0.00022582 -0.00068079 0.00086709
0.00354517 0.00195014 -0.00375439
-9.96787637 -9.58474045 -1.37354781
0.00055007 -0.00043045 0.00048391
-0.00386787 0.00222701 0.00322931
4.68141362 -16.97773570 -13.51360136
-0.00016747 0.00068739 -0.00182152
-0.02621086 0.02497351 -0.00645744
2.61784903 -16.74602998 -11.72099641
0.00099952 0.00115160 -0.00071826
-0.00939856 0.00416367 0.00107420
5.98134337 -6.97344580 -6.01269866
0.00032798 0.00050482 -0.00098728
-0.01402654 -0.01092466 0.00459899
4.92544792 -8.90569220 -4.01814998
-0.00039366 0.00048025 -0.00048883
0.00165061 0.00664402 -0.01130765
17.06010088 1.58470180 24.29020044
-0.00002742 0.00036130 0.00053160
-0.01551844 -0.00793315 -0.00335466
19.39209790 2.15421023 25.55879389
-0.00017169 0.00083820 -0.00079211
0.01458354 -0.00745342 -0.00078988
-9.51287688 2.96631537 2.13693020
-0.00082073 0.00004107 0.00018991
0.02119094 0.00107615 -0.01093666
-7.85503962 4.97109252 1.03880226
-0.00022433 0.00000686 -0.00052999
0.01298007 0.00657976 -0.00447550
-6.74467414 14.96424595 -9.53463048
0.00136347 -0.00025310 0.00094741
-0.00974617 -0.00734728 -0.00586792
-9.39768891 13.80950807 -9.68435792
-0.00049633 0.00017041 0.00060783
-0.02221067 -0.00995992 0.01611626
0.12516539 11.06252744 -8.09771268
-0.00038945 -0.00001007 -0.00036326
-0.00050646 -0.00861024 -0.00607829
2.38971341 12.59613786 -7.86905789
-0.00012453 0.00105906 0.00075669
0.01278283 -0.00866825 -0.01630110
-10.47490502 8.82735634 -13.76289593
-0.00003818 0.00006689 0.00021162
0.02269894 -0.01632386 0.00662116
-12.76188999 9.81570032 -12.17158943
0.00013868 -0.00007163 0.00124258
-0.00774679 -0.00407601 0.02120180
7.19378356 5.94386530 14.75810098
-0.00033202 0.00058851 0.00027749
-0.00205745 0.03730615 0.02045319
7.61050503 4.15447227 12.87219178
-0.00106147 0.00121113 0.00008276
0.00226878 -0.02484739 0.00286195
-14.07685186 10.65313929 -8.04536314
-0.00018214 0.00089237 0.00042094
-0.00195046 -0.01544623 -0.02465678
-16.36503901 9.40755485 -9.44117623
-0.00022367 0.00070900 -0.00021440
-0.02952576 0.00426797 -0.00320146
9.02370085 9.80160118 -1.95846551
-0.00107874 0.00049800 0.00019012
0.00495308 -0.00825420 -0.00799121
6.65059994 8.94159470 -3.19593983
0.00120244 -0.00024908 -0.00133997
0.04083526 -0.02115187 -0.00471532
12.04445897 -20.53714747 -26.56972212
0.00070224 0.00014294 -0.00015134
-0.01826101 -0.00046124 -0.00999332
13.20893500 -19.75809323 -24.04349807
-0.00029150 0.00064942 0.00033156
0.01177651 -0.00375783 -0.00009305
5.85426292 4.72317503 2.80491491
-0.00106638 0.00019650 -0.00106588
-0.01190003 -0.05852702 0.01339138
6.53311579 6.61541339 0.91457911
-0.00092887 0.00028994 -0.00048173
0.00265951 0.00744318 0.01602463
20.40933098 -6.67406779 -5.37749143
0.00007374 0.00044827 -0.00085504
0.02687618 -0.02214057 0.02452354
18.11273665 -4.87009939 -5.23048836
-0.00021331 -0.00079614 -0.00050902
0.01236482 -0.01259290 -0.01325767
-3.35959755 0.23676266 -1.37019505
0.00053128 -0.00083140 0.00058613
0.03992714 0.00316411 -0.02545030
-2.01526403 0.70833862 -4.16576415
0.00062742 0.00091643 0.00002730
-0.01011887 -0.00304489 0.00657694
3.75580554 -3.36605585 -12.15253770
-0.00055648 -0.00055541 0.00054270
-0.02234063 0.02784197 -0.01154187
0.89045499 -2.56161194 -11.64454502
-0.00086700 0.00032538 0.00136114
-0.00124104 -0.00268331 -0.00600354
20.56951633 8.31130490 -6.68779832
-0.00071115 -0.00024179 0.00029796
-0.00570228 -0.03309911 -0.04714469
22.31111872 8.94715149 -4.50155221
-0.00087422 -0.00073383 -0.00024163
0.02164813 -0.01188005 0.00166680
-7.49085070 4.69078793 9.06531012
-0.00046171 0.00005670 -0.00039755
0.00326680 -0.00928765 -0.00007129
-7.31899637 6.45590125 11.24412456
0.00022048 -0.00049848 -0.00125725
-0.00787406 0.00124260 0.00298554
-3.10338846 -16.35748636 12.04385833
-0.00024431 0.00032176 -0.00040545
0.01323172 -0.00604896 -0.00362882
-4.37370174 -13.98444816 11.84305981
0.00028787 0.00023874 0.00006174
-0.01377837 0.02150125 -0.00180570
7.99692966 0.13385414 -3.24493462
0.00071905 0.00005484 -0.00065748
-0.00714840 -0.00218202 0.05022021
7.63254796 2.05586389 -5.53092950
0.00016536 -0.00028414 -0.00010602
-0.00691854 0.02493389 -0.00375895
0.92901762 -10.34791452 2.08943538
0.00062986 -0.00084736 -0.00080156
0.00019380 -0.00124625 -0.00584558
0.60644128 -8.36671142 -0.05273257
-0.00069082 0.00039011 -0.00034510
-0.00299209 0.00224580 0.00675769
-19.83342508 -1.58063493 6.66245536
0.00013040 0.00047488 0.00007048
-0.00615387 0.00029814 -0.02624301
-20.68072790 0.20447966 4.28618181
-0.00010175 -0.00062547 -0.00010295
0.00731499 -0.02957184 0.01002653
-3.58909768 7.79391702 -24.94520040
-0.00050132 -0.00003726 -0.00049498
-0.01491771 0.01831443 0.04043763
-4.40309820 8.75351510 -21.95282028
-0.00076862 0.00013841 -0.00067093
0.00957494 -0.00618185 -0.02873394
3.24852308 0.86646892 -1.21932167
0.00096147 0.00059077 0.00062699
0.01879272 -0.01710371 0.00906357
0.87913789 1.95261533 -2.07175692
0.00050241 0.00071777 -0.00043172
-0.00088602 0.00233855 0.00306124
16.30223292 7.74018852 6.31431426
-0.00009618 -0.00023384 -0.00046817
-0.00424276 -0.01091106 0.01487921
15.85674152 9.23752467 4.14654078
0.00003974 -0.00033222 -0.00002017
0.00875890 0.07075774 -0.03607684
-0.33776806 -11.82691844 -13.46730306
-0.00006390 0.00004629 0.00023824
0.00543802 -0.00602121 0.00308408
-13.92424127 14.57226037 22.06971433
-0.00003299 -0.00009233 0.00013659
0.00385567 -0.00098878 0.00064707
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02845920
0.32371588
431.33518113
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1359653867
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.4567949390 (a.u.)
total exchange computation time: 2.7309010029 s
-154.4137698751
-931.35485748
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1359653867
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.4553183918 (a.u.)
total exchange computation time: 2.7335219383 s
-154.4265084534
Anderson extrapolation: theta=1.3782167074 (1.3782167074)
-931.35514396
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1359653867
ExchangeOperator: bisection time: 1.516 s
total exchange = -52.4531778907 (a.u.)
total exchange computation time: 2.7319159508 s
-154.4447316535
Anderson extrapolation: theta=0.0646018459 (0.0646018459)
-931.35532572
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1359653867
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.4529689693 (a.u.)
total exchange computation time: 2.7333879471 s
-154.4464260286
Anderson extrapolation: theta=2.2319336676 (2.0000000000)
-931.35533648
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1359653867
ExchangeOperator: bisection time: 1.517 s
total exchange = -52.4525521122 (a.u.)
total exchange computation time: 2.7294099331 s
-154.4497927063
Anderson extrapolation: theta=0.3628008018 (0.3628008018)
-931.35535186
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1359653867
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.4524267961 (a.u.)
total exchange computation time: 2.7326600552 s
-154.4507978105
Anderson extrapolation: theta=1.1504028204 (1.1504028204)
-931.35535659
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1359653867
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.4523281807 (a.u.)
total exchange computation time: 2.7320299149 s
-154.4515761126
Anderson extrapolation: theta=0.4449361950 (0.4449361950)
-931.35536108
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1359653867
ExchangeOperator: bisection time: 1.515 s
total exchange = -52.4523272053 (a.u.)
total exchange computation time: 2.7297818661 s
-154.4515658165
Anderson extrapolation: theta=0.8444444300 (0.8444444300)
-931.35536284
-164.401368 50.004496 -160.601454
-134.091420 459.084460 -798.138525
-298.492788 509.088956 -958.739980
1125.811644
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1359653867
ExchangeOperator: bisection time: 1.513 s
total exchange = -52.4523570868 (a.u.)
total exchange computation time: 2.7298169136 s
680.06870520
-1086.59983640
89.78744637
-387.12872211
-175.03060004
79.87879389
551.60419304
0.00000000
-931.35536406
-10.80494236 -4.22299999 6.73489866
-0.00029999 0.00001563 -0.00010129
0.02525748 -0.01862883 0.04100123
-14.19667720 3.47960346 9.49213328
0.00007095 0.00007005 -0.00012382
-0.00503658 -0.00811534 0.00325874
-15.98532200 1.25250719 3.54146992
0.00000468 0.00016513 -0.00008289
0.06145512 0.03461212 -0.00617586
2.38120364 -19.78929363 12.84326978
0.00022741 -0.00010463 -0.00009935
-0.04459516 -0.00027711 -0.06050890
9.52880450 20.43580841 0.79647017
0.00009566 -0.00009428 0.00050795
0.02742615 0.02127939 -0.01258207
-11.70499999 12.72757170 15.07754301
-0.00056507 -0.00041942 0.00001591
0.00907419 -0.00837306 -0.01200468
-6.38676411 1.57761555 -12.09547789
0.00018076 -0.00026064 -0.00019772
0.00447288 -0.03096288 0.00672223
-7.41566242 7.81032217 -5.88903837
0.00012662 -0.00000956 0.00003563
0.01046391 0.01227820 -0.02247973
-7.61341652 -4.52805626 17.92712987
-0.00012821 0.00037580 -0.00025948
0.02988365 -0.00414994 -0.03566664
-23.39691046 -4.79333825 -22.46413371
-0.00017557 -0.00044428 -0.00008423
-0.00056986 0.01240798 -0.02731434
6.64529323 12.78288769 6.05744898
0.00001011 -0.00002102 0.00015049
-0.00632838 0.00120361 -0.01277144
24.64173050 30.32427748 -2.77892890
0.00010754 0.00010140 -0.00035757
0.01791823 -0.02614702 0.00330603
7.90703752 -1.31596322 -14.30794312
0.00004569 0.00006043 -0.00045732
-0.00614591 0.01662515 0.03125424
-7.10394567 -0.88295314 14.30113941
-0.00024478 -0.00005575 0.00020671
0.01375979 0.01749643 0.00039037
-1.98048190 -26.20644614 11.30317842
0.00003309 -0.00012853 0.00005745
0.01765460 -0.00346537 0.02881026
-14.29446452 -4.67132536 -7.10238903
0.00027023 0.00011966 0.00016357
0.00005013 -0.00468351 -0.01150342
-19.99954594 -12.45060556 -17.90030412
-0.00021639 -0.00015426 0.00001230
0.00860430 -0.03804495 -0.00511155
22.60361600 3.60875621 3.12287957
0.00018808 -0.00007690 -0.00021352
0.01248398 0.02470996 -0.01745358
17.80380774 -9.99060806 -14.33800922
-0.00002320 -0.00032415 0.00000237
0.02894922 -0.01101435 -0.02519527
-2.23522107 1.95746220 -7.25647938
0.00033851 -0.00014780 0.00033822
-0.01228898 0.01501699 0.02371177
-4.06771978 -3.01142141 -15.63503220
-0.00014312 -0.00006986 0.00001933
0.02187824 -0.00136230 0.01554460
13.42530283 17.15929437 -20.28517261
-0.00002718 0.00018339 0.00036255
-0.02955964 -0.02541301 -0.00186152
-16.58898381 16.03406048 -12.06822542
0.00068648 0.00001769 -0.00013085
0.01819691 0.02855535 0.02205729
1.35349643 14.21138573 7.57136114
0.00051533 0.00026503 -0.00003816
-0.00152965 0.02965057 0.00347601
-5.14599324 -9.57463809 2.02882503
-0.00012175 -0.00008953 0.00015012
0.02632579 -0.01357278 0.01444563
3.10139938 -6.21868028 2.45380595
-0.00005844 -0.00067583 0.00012003
0.02213898 -0.00720744 -0.00806734
10.84339981 4.82134904 4.70021728
0.00004257 0.00008187 -0.00039508
0.03469384 -0.01146153 0.00571454
-8.55284605 -9.77810473 -2.51127801
0.00006108 0.00033774 -0.00052529
0.00279399 -0.00781710 -0.00069588
3.07936190 -15.94779715 -13.30228345
0.00018497 -0.00025065 0.00035775
0.03440206 -0.02003074 -0.00647890
4.86097674 -8.47652262 -5.80373031
0.00001813 0.00003154 0.00051172
0.00626063 0.01145697 0.00365704
18.54062372 0.67679674 24.87878527
0.00013804 0.00026493 -0.00026633
-0.00513413 0.01412340 0.00447877
-8.01802835 3.15968367 0.98130345
-0.00045243 -0.00008158 0.00014861
-0.03326706 -0.00194880 0.02851218
-7.96591766 14.20451850 -10.68611102
0.00024680 -0.00004674 0.00019043
0.03541638 0.01850397 -0.00461165
1.66107777 11.35056513 -9.06840864
0.00011336 -0.00007006 0.00013897
-0.00686151 0.02049039 0.02032313
-11.90625853 9.87670763 -13.76343855
0.00027160 0.00033450 -0.00031659
-0.01986438 0.01933446 -0.02040717
7.34945175 4.17817342 14.71383135
-0.00031513 -0.00003986 0.00008987
-0.00219484 0.00656091 -0.03055011
-14.59078742 9.48350856 -9.46845730
0.00000467 -0.00035286 0.00033413
0.02334037 0.00840002 0.03003395
8.51583728 8.41491362 -3.08486989
-0.00000661 -0.00029595 -0.00017155
-0.04346853 0.02981170 0.01796596
13.62745606 -20.36197134 -25.74441706
0.00017775 -0.00007624 0.00004129
0.00949598 -0.00192065 0.00034626
6.32685467 6.41169074 2.75284983
0.00017580 0.00032436 -0.00004402
0.00412688 0.04554303 -0.03211695
19.28494458 -5.78523022 -6.38623111
-0.00018714 0.00004290 -0.00028888
-0.04432102 0.03319595 -0.01178038
-1.73659939 0.13116754 -2.40314146
-0.00006484 -0.00011469 -0.00024448
-0.02848287 -0.00063779 0.00812787
2.44048942 -1.93631746 -12.48181689
-0.00003383 0.00017520 0.00018848
0.01923963 -0.03272155 0.02172272
20.71200235 9.28779138 -5.25996396
-0.00039990 0.00022733 0.00009670
-0.03552728 0.03728542 0.02960455
-7.48550264 6.48410008 9.43540696
0.00011810 -0.00000808 0.00010388
-0.00850237 0.00590876 -0.00462510
-2.70049512 -14.60432787 11.69650437
0.00006503 -0.00000841 -0.00039780
0.00902974 -0.01286660 0.00784584
8.16875044 0.44704943 -4.94318315
-0.00016825 0.00016705 -0.00002746
0.02416170 -0.04561698 -0.04232517
-0.00115226 -9.99736610 0.52998577
-0.00004400 -0.00011686 0.00001250
-0.00225972 -0.00274499 -0.01037717
-20.02569496 -1.53525829 4.72545996
-0.00019678 0.00032738 0.00011113
-0.01016811 0.02796837 0.01411767
-4.74981682 7.64715422 -23.41626730
0.00028642 0.00002403 -0.00025906
0.00341078 -0.00677808 -0.01009993
2.58691226 2.48237886 -1.52708209
-0.00010038 -0.00046530 0.00042856
-0.01580534 0.02529222 -0.01076460
15.51355823 7.64635548 4.68611992
0.00000534 -0.00030317 0.00009473
-0.01059809 -0.05543650 0.00876066
-9.28434802 -5.09277028 7.42477334
0.00027396 0.00066179 0.00029534
-0.02625055 0.01089619 -0.01475274
-10.61087793 -3.96794046 4.96964763
-0.00013206 0.00092642 0.00017951
0.01118331 -0.00209732 -0.01944949
-13.11201324 4.87240118 9.15044862
0.00070132 -0.00043545 -0.00085677
0.01066569 0.01098044 -0.00794658
-13.41953629 2.00943043 8.66887029
0.00034894 -0.00059287 -0.00021047
-0.00227829 0.01085694 0.00012554
-14.60010608 0.90738521 4.74621947
-0.00090320 0.00130602 0.00001541
-0.01961390 0.00617538 -0.00420612
-17.18231602 0.02404290 3.92105958
0.00001750 -0.00033258 0.00029504
-0.03613982 -0.03579552 0.01244899
2.34301592 -21.22950698 11.60466256
0.00095582 0.00027481 0.00021152
0.00536436 0.01583124 0.01739717
3.50218054 -20.19922442 14.08667100
-0.00020792 0.00015000 0.00074836
0.04469125 -0.01227257 0.04148678
8.78310817 18.79602990 0.58200961
-0.00010156 -0.00020235 0.00074097
-0.01965053 -0.00287743 0.00753705
8.65507387 21.76188087 1.74452611
0.00049792 -0.00001675 0.00033728
-0.01482477 -0.02054587 -0.00573654
-10.47044634 12.39772438 16.36539433
-0.00088402 -0.00050671 -0.00024436
0.00645903 -0.00398596 0.01228628
-12.56147493 14.21822012 15.59218846
-0.00011923 0.00011154 0.00096178
-0.00748589 0.01860142 0.00352146
-5.87360252 0.14399687 -13.17238631
0.00063594 0.00039026 0.00013376
-0.00290300 0.01762228 0.00719619
-6.66544153 0.72402824 -10.39564376
0.00004777 0.00049813 -0.00110218
-0.00221786 0.01444906 -0.02299891
-6.71044699 6.55027803 -4.83326310
-0.00027508 0.00000947 -0.00049476
0.00445328 -0.01317722 0.01157150
-9.17574180 7.66469764 -5.62994412
-0.00016869 0.00033855 0.00055307
-0.02094126 -0.00234041 0.00194019
-8.69165103 -3.50501180 18.83918908
0.00006263 0.00019676 0.00050142
-0.02622421 0.02520642 0.02741756
-7.70408103 -6.17976849 18.60039008
0.00013235 0.00026498 -0.00013186
-0.00503633 -0.02584449 0.01256155
-23.25616388 -3.26339844 -23.58534493
0.00040727 0.00004092 0.00014163
-0.00611201 -0.01638844 0.02774606
-23.54650478 -4.28613029 -20.72270393
0.00096701 -0.00068252 -0.00033784
0.00096706 0.00762738 -0.00659738
6.89905471 13.24861796 4.30671769
-0.00038180 -0.00006543 -0.00054383
-0.00475009 0.00816011 -0.00277897
8.00387023 11.60169477 6.28412544
-0.00017678 0.00050923 -0.00036555
0.01282477 -0.01100685 0.01593403
24.44247728 28.67207461 -1.97055193
0.00030083 0.00058349 -0.00027789
0.00570518 0.00771663 -0.01141872
23.81478892 31.45484858 -1.65981251
-0.00022026 0.00015620 0.00004277
-0.00851798 0.02373724 0.02401212
9.36350179 -2.46766719 -14.02927536
0.00068061 0.00020797 -0.00131077
-0.00697528 0.00498007 -0.00640501
7.29982788 -0.64297940 -12.66561249
0.00093432 0.00036460 0.00054744
0.00661700 -0.01925142 -0.02303808
-7.32365996 -0.44773655 16.03498164
-0.00057593 -0.00013939 -0.00028552
0.01438779 0.03539736 0.02136534
-8.08445676 -2.30961896 14.53791576
-0.00108353 0.00035496 -0.00078676
-0.02388395 -0.05220597 -0.01921519
-2.58304269 -26.84813586 13.00987598
0.00027606 0.00038162 0.00056881
0.00703620 0.00650709 -0.02388057
-3.22469020 -26.04366671 10.02056646
0.00061922 0.00051542 -0.00032448
-0.01496355 0.00014394 -0.00969603
-13.74058910 -3.03452654 -6.52974148
-0.00061518 0.00031061 0.00041758
-0.00477171 0.01134260 0.00505423
-15.02012919 -4.46728735 -8.78171599
-0.00010627 0.00006445 0.00018389
0.00316264 -0.00399062 0.00380969
-18.67512190 -11.75851604 -16.92275870
-0.00019478 0.00082369 0.00119792
0.01622031 0.03676467 0.02334176
-18.87394366 -13.90722195 -18.28082918
0.00047027 -0.00023011 0.00016381
-0.01614850 0.00315227 -0.01230174
23.06494518 3.76213642 1.32711398
0.00082163 -0.00065625 0.00013581
-0.00431509 -0.02563001 0.00333456
23.21306111 5.28606414 3.51739631
-0.00035668 0.00024031 0.00031797
-0.00602096 -0.00141189 0.02430730
16.45181261 -9.43336280 -13.32891639
-0.00087878 -0.00092370 0.00083326
-0.02688716 0.01121513 0.01638669
17.62857937 -9.29802566 -16.03677675
-0.00052214 -0.00079110 -0.00109439
-0.00384469 -0.00130229 0.00682107
-0.59601729 2.54969639 -7.78927115
-0.00033010 0.00019091 -0.00008922
0.01006205 -0.00792106 -0.01204360
-2.82346001 0.67445381 -8.36684485
0.00087915 -0.00145325 0.00088880
0.00007445 -0.00901577 -0.01087858
-5.64659001 -2.95128245 -16.44426087
-0.00049811 -0.00058647 -0.00034800
-0.02219783 -0.00021524 -0.01519829
-2.98310611 -2.04046475 -16.75032835
-0.00034538 0.00026172 0.00024928
-0.00463327 0.00230515 0.00071457
12.84143636 18.53766716 -21.28838445
-0.00045258 0.00013650 0.00041055
0.00704347 0.02557684 -0.00467551
11.78878257 16.21144894 -20.52510815
-0.00028836 0.00028676 0.00053233
0.02382666 -0.00330123 0.00822190
-15.31599886 15.45893233 -13.21593719
-0.00129278 0.00022898 -0.00001780
0.01076728 -0.00150277 -0.01119904
-17.96069285 15.01315588 -12.53589416
0.00035791 0.00039867 -0.00055559
-0.03000477 -0.02453718 -0.00314558
2.52215113 15.04824926 6.41217363
0.00034432 0.00112095 0.00051384
-0.00581609 -0.01083715 -0.00593453
0.32897132 15.62899850 8.20329820
0.00195438 -0.00001656 -0.00068964
0.00311503 -0.01490727 -0.00256038
-6.32561607 -8.37892777 1.41477619
-0.00125329 0.00041156 -0.00090909
-0.00906088 0.01749115 -0.00743910
-3.43046751 -9.03493714 1.50361827
0.00007060 -0.00062410 0.00076925
-0.01202626 -0.00781770 -0.00101732
2.68726774 -4.51521513 2.85763118
-0.00067238 0.00143508 -0.00029875
-0.00891396 0.01851719 0.00868759
4.60271102 -5.99025259 1.38428541
-0.00039913 0.00041485 -0.00022816
-0.00637969 -0.01158243 0.00756925
9.46406606 5.84874979 4.21126929
-0.00085297 0.00015463 0.00043594
-0.02260635 0.01344497 -0.00838041
12.33027853 5.94055735 4.71780535
-0.00027999 0.00044983 -0.00015333
-0.00657757 -0.00331353 0.00454086
-7.71146331 -11.36793483 -2.05807013
0.00023380 -0.00065703 0.00084523
0.00035868 0.00968255 -0.00694853
-9.95974382 -9.59112900 -1.36619020
0.00053513 -0.00041947 0.00049461
-0.00344528 0.00315021 0.00200857
4.67809834 -16.96665953 -13.54112210
-0.00027050 0.00078515 -0.00184536
-0.02421955 0.02287974 -0.00521142
2.63255377 -16.72862838 -11.73173732
0.00095647 0.00115694 -0.00069218
-0.01167513 -0.00154783 0.01169179
5.98583322 -6.96620830 -6.02736695
0.00026613 0.00045379 -0.00096505
-0.01624584 -0.01405308 0.00628389
4.91959358 -8.89828486 -4.02582889
-0.00038557 0.00050456 -0.00051868
0.00231081 0.00525565 -0.00330722
17.05921402 1.58987818 24.29807171
-0.00009245 0.00032806 0.00051675
-0.01631374 -0.00833571 -0.00391506
19.38996943 2.16655480 25.54688798
-0.00011122 0.00080577 -0.00079549
0.01501558 -0.00842154 -0.00086485
-9.52453851 2.96696433 2.13944370
-0.00073162 0.00004705 0.00014371
0.02242840 0.00185386 -0.01167777
-7.85800683 4.97139711 1.03071532
-0.00017219 0.00003180 -0.00054755
0.01254399 0.00562801 -0.00412388
-6.72452076 14.96022437 -9.52059921
0.00131252 -0.00028934 0.00091396
-0.01519127 -0.01039638 -0.01050488
-9.40581442 13.81175899 -9.67474658
-0.00057525 0.00013315 0.00066630
-0.01642206 -0.00827893 0.01250498
0.11930814 11.06211257 -8.10334791
-0.00038899 -0.00004468 -0.00038858
0.00073175 -0.00833330 -0.00631280
2.38823718 12.61175816 -7.85820700
-0.00007725 0.00101447 0.00068288
0.01036014 -0.01316133 -0.01983214
-10.47478220 8.82785951 -13.75951870
0.00005582 -0.00000030 0.00023775
0.02331468 -0.01656934 0.00616876
-12.76004722 9.81450100 -12.15230105
0.00011666 -0.00008678 0.00130804
-0.00303072 -0.00333869 0.01084243
7.18874028 5.95383613 14.76289008
-0.00033909 0.00072837 0.00036158
-0.00140521 0.03115513 0.02071001
7.59465255 4.17187787 12.87352087
-0.00105152 0.00110807 0.00009250
0.00260128 -0.02560162 0.00190773
-14.07964374 10.66605158 -8.03980465
-0.00019098 0.00082412 0.00031492
-0.00237775 -0.01796591 -0.02724051
-16.36929880 9.41832059 -9.44449032
-0.00034038 0.00072658 -0.00022822
-0.02760519 0.00434089 -0.00356256
9.00767151 9.80881826 -1.95585857
-0.00105867 0.00045883 0.00015381
0.00487349 -0.01091953 -0.00978489
6.66988790 8.93721027 -3.21618389
0.00135652 -0.00033340 -0.00136015
0.03458614 -0.02012349 -0.00516115
12.05443300 -20.53501746 -26.57229841
0.00062225 0.00014068 -0.00019521
-0.02089670 -0.00064421 -0.01148283
13.20492336 -19.74846703 -24.03852754
-0.00024134 0.00063105 0.00032428
0.01277826 -0.00523822 -0.00347235
5.83790257 4.72432906 2.78933699
-0.00111252 -0.00003256 -0.00101052
-0.01068550 -0.05359791 0.01370828
6.51926420 6.61999058 0.90784420
-0.00091707 0.00032144 -0.00041283
0.00311898 0.00797548 0.01770380
20.41126061 -6.66802214 -5.38956555
0.00018771 0.00035497 -0.00075162
0.02891171 -0.02353170 0.02610249
18.10991583 -4.88242731 -5.23852988
-0.00016710 -0.00084335 -0.00055869
0.01025540 -0.01051894 -0.01105916
-3.35040484 0.22438866 -1.36218292
0.00069172 -0.00081702 0.00048131
0.03860720 0.00387545 -0.02586038
-2.00616276 0.72199169 -4.16515307
0.00058375 0.00090350 0.00005389
-0.01125758 -0.00328120 0.00643891
3.74677378 -3.37353388 -12.14475089
-0.00064795 -0.00043869 0.00049464
-0.02243572 0.02929705 -0.01198532
0.87741202 -2.55681354 -11.62431194
-0.00086140 0.00031866 0.00132952
0.00398135 -0.00060592 -0.00947196
20.55867436 8.30666386 -6.68477350
-0.00073491 -0.00037408 0.00010932
-0.00592874 -0.03165870 -0.04519883
22.29866882 8.93577996 -4.50512557
-0.00078039 -0.00078260 -0.00023155
0.02428046 -0.01199144 0.00326658
-7.49767622 4.69135378 9.05934466
-0.00044833 0.00002032 -0.00039821
0.00328055 -0.00851826 -0.00025191
-7.31593039 6.44846210 11.22535726
0.00019064 -0.00049319 -0.00122276
-0.00673677 0.00134580 0.01389991
-3.10664764 -16.35284527 12.03766542
-0.00019072 0.00029319 -0.00041985
0.01299990 -0.00793986 -0.00342082
-4.36980584 -13.98020814 11.84393062
0.00023069 0.00032731 0.00005448
-0.01421456 0.02185144 -0.00174853
8.00749640 0.13460988 -3.25325799
0.00068910 0.00004424 -0.00043970
-0.00751177 -0.00300639 0.05638587
7.63481629 2.05236579 -5.53263503
0.00013500 -0.00017578 -0.00012312
-0.00793837 0.02810898 -0.00461084
0.93847146 -10.36066307 2.07723279
0.00063235 -0.00085166 -0.00082241
0.00102438 -0.00086248 -0.00435771
0.59598723 -8.36079100 -0.05770203
-0.00070403 0.00039429 -0.00031487
-0.00347394 -0.00019871 0.00804216
-19.83165761 -1.57350253 6.66270837
0.00010492 0.00047570 -0.00003562
-0.00631892 0.00009951 -0.02569154
-20.68202995 0.19419151 4.28494483
-0.00007537 -0.00073671 -0.00006400
0.00559598 -0.02488515 0.00903835
-3.59707462 7.79391934 -24.95138600
-0.00055941 0.00003877 -0.00033185
-0.01351953 0.01890423 0.03941626
-4.41433409 8.75540176 -21.96376480
-0.00072693 0.00011749 -0.00078339
0.01083199 -0.00405433 -0.02631499
3.26352102 0.87480632 -1.20963912
0.00103892 0.00051279 0.00066484
0.01911974 -0.02106581 0.00946334
0.88664692 1.96345351 -2.07813892
0.00049362 0.00072201 -0.00042036
-0.00341666 -0.00026455 0.00249873
16.30066027 7.73634663 6.30774762
-0.00010969 -0.00027805 -0.00039952
-0.00237309 -0.01073386 0.01872636
15.85760600 9.23470957 4.14513267
0.00007474 -0.00004674 -0.00016656
0.00837475 0.06898793 -0.03558116
-0.33871195 -11.82624027 -13.46372118
-0.00006196 0.00004417 0.00023931
0.00540294 -0.00579549 0.00286429
-13.92472937 14.57087368 22.07176432
-0.00003208 -0.00009256 0.00013675
0.00394426 -0.00095917 0.00070357
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02840515
0.32695891
435.65635914
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4498915285 (a.u.)
total exchange computation time: 2.6651339531 s
-154.3836782491
-931.35831840
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1349702542
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4484631553 (a.u.)
total exchange computation time: 2.6658439636 s
-154.3959211325
Anderson extrapolation: theta=1.3740780877 (1.3740780877)
-931.35858687
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1356192537
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4464461871 (a.u.)
total exchange computation time: 2.6743130684 s
-154.4136475834
Anderson extrapolation: theta=0.0488037759 (0.0488037759)
-931.35882876
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1356192537
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4462360367 (a.u.)
total exchange computation time: 2.6750009060 s
-154.4152795388
Anderson extrapolation: theta=2.4573919878 (2.0000000000)
-931.35883739
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1356192537
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4457828454 (a.u.)
total exchange computation time: 2.6745040417 s
-154.4187771077
Anderson extrapolation: theta=0.4226249670 (0.4226249670)
-931.35884833
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1356192537
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.4455988995 (a.u.)
total exchange computation time: 2.6721849442 s
-154.4201794419
Anderson extrapolation: theta=0.8872906638 (0.8872906638)
-931.35885083
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1356192537
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4454729618 (a.u.)
total exchange computation time: 2.6766319275 s
-154.4211126696
Anderson extrapolation: theta=0.6022936919 (0.6022936919)
-931.35885212
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1356192537
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4454395724 (a.u.)
total exchange computation time: 2.6740839481 s
-154.4213240356
Anderson extrapolation: theta=0.6521892683 (0.6521892683)
-931.35885245
-164.435802 50.082721 -116.206967
-134.107863 459.144351 -798.175007
-298.543665 509.227072 -914.381975
1088.363416
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1356192537
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4454518890 (a.u.)
total exchange computation time: 2.6737480164 s
679.95922761
-1086.36121001
89.79442713
-387.29302578
-175.01281954
79.74655268
551.60419304
0.00000000
-931.35885246
-10.80934479 -4.22283732 6.73353753
-0.00028674 0.00000586 -0.00007987
0.02626872 -0.01938858 0.04227339
-14.19563238 3.48062293 9.49028854
0.00006916 0.00006529 -0.00012282
-0.00194290 -0.01040657 0.00062225
-15.98501479 1.25511764 3.54020281
0.00003415 0.00018228 -0.00008670
0.05316475 0.03208530 -0.00867182
2.38444273 -19.79086412 12.84154616
0.00020535 -0.00010444 -0.00012910
-0.04117508 0.00099690 -0.05519681
9.53034520 20.43447624 0.80404085
0.00010982 -0.00008404 0.00050125
0.02762416 0.01856078 -0.01347974
-11.71344108 12.72124805 15.07773529
-0.00056146 -0.00042240 0.00000968
0.00497042 -0.00320958 -0.01221556
-6.38403541 1.57358653 -12.09841769
0.00018298 -0.00027507 -0.00019500
0.00415114 -0.02515758 0.00385629
-7.41372270 7.81022607 -5.88859063
0.00013071 -0.00000263 0.00002363
0.00542208 0.01470100 -0.02420117
-7.61522433 -4.52243521 17.92310010
-0.00011338 0.00037357 -0.00027727
0.02775819 -0.00453040 -0.03350373
-23.39954622 -4.79995457 -22.46550254
-0.00017574 -0.00043772 -0.00009922
-0.00007542 0.01311379 -0.03099360
6.64542050 12.78257703 6.05965707
0.00000618 -0.00001945 0.00014264
-0.00897366 0.00488416 -0.01776494
24.64341269 30.32569769 -2.78427969
0.00011625 0.00008931 -0.00035549
0.01595442 -0.02088307 0.00479031
7.90769919 -1.31499259 -14.31468241
0.00004246 0.00006927 -0.00044032
-0.00641353 0.01775369 0.03487083
-7.10756424 -0.88372190 14.30424155
-0.00023775 -0.00004717 0.00020600
0.01355323 0.01587259 -0.00314401
-1.97991746 -26.20838745 11.30415129
0.00004250 -0.00013021 0.00007248
0.01892570 -0.00305522 0.02962728
-14.29041084 -4.66954853 -7.09997981
0.00027010 0.00011717 0.00015745
-0.00056351 -0.00499195 -0.01230084
-20.00275864 -12.45306627 -17.90013939
-0.00020995 -0.00017328 0.00001086
0.01645026 -0.03590438 -0.00048313
22.60648534 3.60769797 3.11960952
0.00019452 -0.00006390 -0.00022182
0.01257118 0.02585676 -0.01485694
17.80357134 -9.99551282 -14.33807087
-0.00000999 -0.00032871 -0.00001066
0.02244268 -0.00670034 -0.02546167
-2.23019080 1.95530308 -7.25131460
0.00033130 -0.00014097 0.00034995
-0.01575708 0.01154153 0.02189381
-4.06978221 -3.01247458 -15.63468232
-0.00013304 -0.00007057 0.00002693
0.01731102 -0.00138111 0.01400593
13.42478112 17.16194722 -20.27974159
-0.00004259 0.00017043 0.00036143
-0.03037936 -0.02500786 -0.00249532
-16.57861648 16.03443604 -12.07010316
0.00069301 0.00003280 -0.00011772
0.00722613 0.03019274 0.02902958
1.36122046 14.21547556 7.57080214
0.00051580 0.00027896 -0.00003713
0.00334921 0.02451375 0.00052819
-5.14771795 -9.57603342 2.03113255
-0.00011073 -0.00009471 0.00015670
0.01651485 -0.00658040 0.01115134
3.10060811 -6.22884548 2.45557530
-0.00004801 -0.00067526 0.00011673
0.01841966 0.00941640 -0.00475765
10.84417225 4.82253291 4.69431306
0.00005935 0.00007660 -0.00039243
0.03053962 -0.00903864 0.00461967
-8.55191900 -9.77306878 -2.51916004
0.00006310 0.00033168 -0.00052451
0.00506221 -0.01575935 0.00372442
3.08226913 -15.95163414 -13.29694222
0.00020266 -0.00025864 0.00035106
0.03439412 -0.01106233 -0.01953750
4.86127279 -8.47600537 -5.79604037
0.00002165 0.00003857 0.00051093
0.00742802 0.01590126 -0.00675217
18.54267455 0.68082521 24.87480756
0.00013545 0.00027248 -0.00026393
-0.00495861 0.01523214 0.00487780
-8.02494319 3.15845251 0.98364261
-0.00046959 -0.00008239 0.00016326
-0.03345182 -0.00122590 0.02845546
-7.96207908 14.20388871 -10.68327236
0.00026464 -0.00003705 0.00019010
0.03397497 0.01918700 0.00331078
1.66275174 11.34959326 -9.06624573
0.00011018 -0.00005856 0.00015027
-0.00551757 0.02423543 0.02363963
-11.90226116 9.88179974 -13.76826613
0.00026030 0.00034413 -0.00032439
-0.02407601 0.01809782 -0.00992357
7.34471639 4.17760088 14.71506156
-0.00031649 -0.00003449 0.00007437
-0.00312209 0.01430652 -0.02972013
-14.59062729 9.47824809 -9.46332950
0.00001599 -0.00034808 0.00035009
0.02066040 0.01017453 0.03204236
8.51557046 8.41058935 -3.08737381
-0.00002702 -0.00028033 -0.00016172
-0.03591629 0.03093862 0.02025268
13.63015888 -20.36312236 -25.74379636
0.00018289 -0.00007682 0.00004259
0.01051169 -0.00034231 0.00470493
6.32950758 6.41673176 2.75206568
0.00017730 0.00034580 -0.00006087
0.00169995 0.03783651 -0.03342505
19.28196649 -5.78445870 -6.39060978
-0.00020943 0.00005947 -0.00029569
-0.04233938 0.03122723 -0.01469473
-1.73768185 0.12944480 -2.40677733
-0.00007872 -0.00011522 -0.00024025
-0.02551032 -0.00144555 0.00833079
2.44005614 -1.93381560 -12.47890588
-0.00002525 0.00015765 0.00020045
0.01411965 -0.03553218 0.02480679
20.70586675 9.29134523 -5.25839930
-0.00041859 0.00024580 0.00011060
-0.03713493 0.03450949 0.02446356
-7.48376401 6.48400169 9.43694726
0.00011343 -0.00000533 0.00009862
-0.00965083 0.00476491 -0.01581588
-2.69948480 -14.60450365 11.69056758
0.00006965 -0.00001457 -0.00039381
0.00893678 -0.01108846 0.00768405
8.16631986 0.44937927 -4.94375835
-0.00015564 0.00014303 -0.00004999
0.02490089 -0.04778840 -0.04527470
-0.00182100 -9.99912962 0.53013332
-0.00004530 -0.00011779 0.00000652
-0.00279509 -0.00087300 -0.01288435
-20.02868591 -1.53023969 4.72718133
-0.00020140 0.00034030 0.00011846
-0.00780259 0.02227690 0.01441450
-4.74550743 7.64748858 -23.42019214
0.00028737 0.00001979 -0.00026445
0.00031311 -0.00971301 -0.01086292
2.58534558 2.47549691 -1.52069522
-0.00010780 -0.00045093 0.00042316
-0.01305193 0.03058192 -0.01024566
15.51359739 7.64159412 4.68757468
-0.00000027 -0.00033037 0.00009786
-0.01121238 -0.05034788 0.00338975
-9.28104308 -5.08250952 7.42875141
0.00016420 0.00070734 0.00023355
-0.02747406 0.01140244 -0.01549253
-10.61251619 -3.95410844 4.97174433
-0.00008570 0.00091801 0.00009896
0.01151397 -0.00201866 -0.01998212
-13.10116662 4.86620585 9.13735350
0.00074284 -0.00039217 -0.00088810
0.00966015 0.01020552 -0.00738745
-13.41437195 2.00087008 8.66571713
0.00033527 -0.00054222 -0.00020611
-0.00441699 0.01393853 0.00200768
-14.61425507 0.92716469 4.74632179
-0.00097394 0.00132912 0.00000528
-0.01501359 0.00513485 -0.00075312
-17.18316102 0.01795735 3.92586669
-0.00012304 -0.00047126 0.00034354
-0.03265208 -0.03208839 0.01129152
2.35751760 -21.22489970 11.60836845
0.00097722 0.00033461 0.00027852
0.00511281 0.01344056 0.01540078
3.50043123 -20.19735048 14.09916776
-0.00003196 0.00010218 0.00091136
0.04144418 -0.01113830 0.03830011
8.78098263 18.79290644 0.59335519
-0.00018067 -0.00021148 0.00077199
-0.01907628 -0.00159145 0.00764561
8.66208840 21.76100000 1.74940948
0.00043571 -0.00009823 0.00031587
-0.01562753 -0.01934001 -0.00474100
-10.48350877 12.39000154 16.36210544
-0.00085282 -0.00052527 -0.00019018
0.00881398 -0.00509758 0.01423483
-12.56349277 14.22046328 15.60672300
-0.00014589 0.00018002 0.00097268
-0.00556569 0.01492072 0.00181628
-5.86415244 0.15039084 -13.17015938
0.00062611 0.00045567 0.00015834
-0.00190538 0.01439469 0.00483512
-6.66479301 0.73194291 -10.41288122
0.00003746 0.00055176 -0.00118526
-0.00282575 0.01180604 -0.01767038
-6.71443680 6.55001621 -4.84032991
-0.00025340 -0.00005035 -0.00044287
0.00616081 -0.01610267 0.01383036
-9.17891384 7.66970415 -5.62158864
-0.00024741 0.00032989 0.00055980
-0.01759270 -0.00189754 0.00135360
-8.69151520 -3.50128798 18.84755061
-0.00004048 0.00029666 0.00061055
-0.02424798 0.02369314 0.02600045
-7.70225015 -6.17658577 18.59879715
0.00011206 0.00016259 -0.00008193
-0.00489507 -0.02427433 0.01187998
-23.25024218 -3.26328679 -23.58237020
0.00038189 -0.00002853 0.00025546
-0.00630785 -0.01760949 0.02797454
-23.53197007 -4.29613441 -20.72797373
0.00097030 -0.00065015 -0.00035812
0.00064508 0.00821938 -0.00332963
6.89318215 13.24788651 4.29847512
-0.00040263 -0.00003423 -0.00054647
-0.00544376 0.00711410 0.00148460
8.00161149 11.60899593 6.27913041
-0.00011810 0.00045887 -0.00029909
0.01589955 -0.01364478 0.01660151
24.44716455 28.68106339 -1.97507016
0.00032357 0.00060887 -0.00032182
0.00542430 0.00471017 -0.01008453
23.81122396 31.45791899 -1.65843517
-0.00025124 0.00024834 0.00013480
-0.00664428 0.02136310 0.02103692
9.37349712 -2.46439511 -14.04913316
0.00065019 0.00022928 -0.00133651
-0.00791199 0.00545279 -0.00619678
7.31404540 -0.63810036 -12.65810686
0.00096333 0.00028259 0.00044606
0.00758331 -0.02089373 -0.02658805
-7.33185809 -0.44874271 16.03135351
-0.00051786 0.00000526 -0.00019197
0.01403763 0.03540936 0.02442909
-8.10144154 -2.30589432 14.52552548
-0.00117972 0.00014512 -0.00086514
-0.02320531 -0.05050974 -0.01914894
-2.57868621 -26.84221215 13.01767638
0.00030358 0.00040816 0.00046955
0.00643791 0.00648477 -0.02470841
-3.21586044 -26.03593101 10.01540220
0.00055689 0.00051567 -0.00036389
-0.01554764 -0.00002184 -0.00959811
-13.74996296 -3.02951982 -6.52332289
-0.00063464 0.00035719 0.00043839
-0.00475754 0.01145803 0.00513374
-15.02162638 -4.46644285 -8.77884087
-0.00009229 0.00004823 0.00020053
0.00368367 -0.00394787 0.00433608
-18.67754663 -11.74503412 -16.90407466
-0.00014240 0.00096422 0.00128129
0.00942155 0.03202521 0.01746779
-18.86738441 -13.91057706 -18.27874893
0.00040247 -0.00021179 0.00011565
-0.01703997 0.00581590 -0.01127528
23.07713742 3.75150728 1.32925335
0.00080510 -0.00075917 0.00014681
-0.00377531 -0.02475113 0.00204793
23.20752642 5.28962558 3.52291066
-0.00038271 0.00023112 0.00041471
-0.00671896 -0.00309049 0.02305017
16.43780700 -9.44687466 -13.31591537
-0.00097541 -0.00088273 0.00088877
-0.02041485 0.00883875 0.01078440
17.62062952 -9.30993211 -16.05298361
-0.00053787 -0.00080019 -0.00105458
-0.00385878 -0.00314476 0.01266795
-0.60066048 2.55231730 -7.79097843
-0.00028416 0.00016023 -0.00013988
0.01242509 -0.00709802 -0.01275611
-2.81027047 0.65237884 -8.35384616
0.00088169 -0.00148446 0.00084941
0.00116793 -0.00626279 -0.00840519
-5.65474188 -2.96008614 -16.44994661
-0.00057974 -0.00058778 -0.00040578
-0.01775924 -0.00042549 -0.01308280
-2.98842873 -2.03646836 -16.74656732
-0.00036378 0.00027189 0.00025098
-0.00437607 0.00267541 0.00012118
12.83486353 18.54049844 -21.28236949
-0.00042292 0.00023995 0.00039220
0.00747617 0.02505993 -0.00430750
11.78518733 16.21564925 -20.51687125
-0.00018998 0.00027327 0.00056623
0.02433039 -0.00330680 0.00837024
-15.33506067 15.46232093 -13.21654734
-0.00122818 0.00021591 -0.00007973
0.02085599 -0.00489164 -0.01911747
-17.95624368 15.01838408 -12.54432432
0.00023716 0.00030133 -0.00056579
-0.02910300 -0.02311311 -0.00185098
2.52713768 15.06473147 6.41969942
0.00032290 0.00107442 0.00048717
-0.00466734 -0.01194135 -0.00712323
0.35838253 15.62829336 8.19287515
0.00195437 -0.00006499 -0.00069193
-0.00311983 -0.00880316 0.00143776
-6.34469308 -8.37221843 1.40091186
-0.00127162 0.00046661 -0.00093079
0.00009035 0.00945937 -0.00318005
-3.42977706 -9.04453821 1.51512588
0.00002295 -0.00065393 0.00076331
-0.01129543 -0.00678383 -0.00188965
2.67690894 -4.49312150 2.85341620
-0.00070147 0.00147883 -0.00026945
-0.00532540 0.00289586 0.00565168
4.59652855 -5.98438482 1.38109501
-0.00042491 0.00036622 -0.00019726
-0.00623841 -0.01221829 0.00755221
9.45057883 5.85148126 4.21755166
-0.00093748 0.00020392 0.00040414
-0.01876167 0.01067954 -0.00719009
12.32587712 5.94720330 4.71564454
-0.00030628 0.00043673 -0.00013503
-0.00629101 -0.00310042 0.00441824
-7.70794533 -11.37749358 -2.04560461
0.00022956 -0.00060322 0.00081050
-0.00243221 0.01665920 -0.01005275
-9.95182242 -9.59732449 -1.35870949
0.00052224 -0.00040480 0.00049999
-0.00286491 0.00403230 0.00062356
4.67329874 -16.95418115 -13.56896223
-0.00036433 0.00087347 -0.00186408
-0.02171232 0.02035424 -0.00394959
2.64654298 -16.71132164 -11.74176168
0.00090365 0.00113743 -0.00061985
-0.01417662 -0.00800589 0.02371420
5.98932741 -6.95983207 -6.04165012
0.00019598 0.00039097 -0.00093601
-0.01809740 -0.01669838 0.00793269
4.91388086 -8.89055542 -4.03371049
-0.00037487 0.00052288 -0.00051453
0.00292811 0.00371332 0.00533851
17.05732735 1.59454370 24.30570303
-0.00016006 0.00029305 0.00049992
-0.01678049 -0.00880571 -0.00432436
19.38876122 2.17838324 25.53492907
-0.00004921 0.00076949 -0.00079925
0.01533981 -0.00933490 -0.00097230
-9.53482558 2.96772691 2.14124150
-0.00063863 0.00005603 0.00009533
0.02309181 0.00254289 -0.01200329
-7.86020526 4.97204662 1.02237564
-0.00012193 0.00005231 -0.00056362
0.01206008 0.00440905 -0.00374054
-6.70529839 14.95556564 -9.50721175
0.00124076 -0.00033699 0.00086289
-0.01994010 -0.01292454 -0.01449169
-9.41494637 13.81350254 -9.66436884
-0.00062967 0.00010284 0.00070940
-0.01021872 -0.00655703 0.00859235
0.11349573 11.06118699 -8.10937001
-0.00038356 -0.00007803 -0.00041471
0.00192400 -0.00799029 -0.00647959
2.38739588 12.62657185 -7.84857154
-0.00003934 0.00095236 0.00059573
0.00819872 -0.01724130 -0.02282657
-10.47323051 8.82734722 -13.75576342
0.00015033 -0.00006704 0.00026205
0.02294903 -0.01609751 0.00572533
-12.75839018 9.81309706 -12.13234818
0.00011299 -0.00009888 0.00133229
0.00123584 -0.00258421 0.00102929
7.18361088 5.96571633 14.76894842
-0.00034327 0.00084122 0.00044616
-0.00063899 0.02408754 0.02069389
7.57895949 4.18771445 12.87496687
-0.00104026 0.00100238 0.00009831
0.00290755 -0.02613766 0.00093242
-14.08258135 10.67786281 -8.03591562
-0.00020114 0.00074661 0.00019979
-0.00259584 -0.01997476 -0.02911567
-16.37525040 9.42935238 -9.44802274
-0.00044682 0.00074449 -0.00024355
-0.02449923 0.00442247 -0.00394138
8.99194085 9.81536612 -1.95385131
-0.00103868 0.00040939 0.00011071
0.00491026 -0.01328265 -0.01131136
6.69129550 8.93159255 -3.23674425
0.00148244 -0.00041264 -0.00138255
0.02705452 -0.01866116 -0.00580392
12.06312635 -20.53292693 -26.57557844
0.00053309 0.00013789 -0.00024428
-0.02274565 -0.00072625 -0.01253536
13.20169486 -19.73916186 -24.03376981
-0.00018729 0.00060674 0.00030376
0.01367630 -0.00666072 -0.00657017
5.82088736 4.72219829 2.77459921
-0.00115202 -0.00023700 -0.00095391
-0.00865214 -0.04647977 0.01400216
6.50560376 6.62505656 0.90219428
-0.00090327 0.00035505 -0.00033807
0.00363731 0.00847685 0.01888865
20.41496214 -6.66341865 -5.40003996
0.00030701 0.00025833 -0.00064434
0.02948841 -0.02377514 0.02641310
18.10772352 -4.89539990 -5.24724918
-0.00013043 -0.00088147 -0.00059846
0.00769647 -0.00814240 -0.00840745
-3.33884604 0.21225217 -1.35575567
0.00084490 -0.00079966 0.00037610
0.03637789 0.00462189 -0.02564343
-1.99775142 0.73544367 -4.16414739
0.00053558 0.00088966 0.00007978
-0.01232412 -0.00349552 0.00623506
3.73636702 -3.37921640 -12.13769862
-0.00073893 -0.00031705 0.00044508
-0.02209920 0.03024190 -0.01227137
0.86461304 -2.55205228 -11.60465937
-0.00083548 0.00031989 0.00128423
0.00870641 0.00120971 -0.01269863
20.54746903 8.30008259 -6.68451875
-0.00075912 -0.00049749 -0.00006712
-0.00592206 -0.02875047 -0.04117044
22.28770698 8.92367352 -4.50849874
-0.00067757 -0.00083158 -0.00021578
0.02605040 -0.01198325 0.00445214
-7.50430069 4.69139757 9.05336375
-0.00043489 -0.00001234 -0.00039945
0.00330142 -0.00746970 -0.00035422
-7.31327727 6.44110543 11.20744184
0.00016559 -0.00048770 -0.00114309
-0.00552445 0.00134464 0.02509666
-3.10911010 -16.34869078 12.03126286
-0.00013832 0.00025716 -0.00043342
0.01265087 -0.00969591 -0.00322340
-4.36678109 -13.97462892 11.84469427
0.00017330 0.00041642 0.00004736
-0.01387953 0.02176979 -0.00173891
8.01760278 0.13518137 -3.25812568
0.00065836 0.00003120 -0.00020202
-0.00753861 -0.00337872 0.05996159
7.63659809 2.05059037 -5.53462313
0.00010115 -0.00005628 -0.00014311
-0.00863318 0.03038876 -0.00517471
0.94798807 -10.37346447 2.06476314
0.00063822 -0.00085448 -0.00083717
0.00185178 -0.00051566 -0.00286930
0.58532028 -8.35488276 -0.06217863
-0.00071905 0.00038869 -0.00027953
-0.00387624 -0.00254221 0.00925403
-19.83027741 -1.56636403 6.66138684
0.00007892 0.00047564 -0.00013837
-0.00640733 -0.00012502 -0.02460631
-20.68298904 0.18237824 4.28426178
-0.00005684 -0.00082695 -0.00002967
0.00347631 -0.01928685 0.00776784
-3.60588012 7.79508024 -24.95515593
-0.00061090 0.00011712 -0.00017456
-0.01168189 0.01944690 0.03757817
-4.42490614 8.75703994 -21.97632206
-0.00068020 0.00010594 -0.00088490
0.01204563 -0.00160152 -0.02337191
3.27969073 0.88185267 -1.19937660
0.00111676 0.00042113 0.00070349
0.01898232 -0.02380547 0.00945831
0.89394656 1.97427548 -2.08436777
0.00047485 0.00071569 -0.00041127
-0.00577195 -0.00282855 0.00195387
16.29894217 7.73184691 6.30232864
-0.00011582 -0.00032118 -0.00031599
-0.00062843 -0.01037657 0.02216271
15.85898373 9.23612248 4.14154393
0.00010680 0.00022428 -0.00030806
0.00732117 0.06367715 -0.03368294
-0.33962684 -11.82559322 -13.46012391
-0.00006003 0.00004214 0.00024029
0.00536522 -0.00559208 0.00264495
-13.92520374 14.56948364 22.07381677
-0.00003116 -0.00009278 0.00013692
0.00402587 -0.00095518 0.00075165
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02837297
0.33047950
440.34735905
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1356192537
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.4402679355 (a.u.)
total exchange computation time: 2.6741409302 s
-154.3453431629
-931.36160864
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1356192537
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4389512862 (a.u.)
total exchange computation time: 2.6735570431 s
-154.3566800716
Anderson extrapolation: theta=1.3484027591 (1.3484027591)
-931.36185584
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1356192537
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4370264767 (a.u.)
total exchange computation time: 2.6752018929 s
-154.3729547286
Anderson extrapolation: theta=0.0543364640 (0.0543364640)
-931.36200371
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1356192537
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4368098610 (a.u.)
total exchange computation time: 2.6717460155 s
-154.3746417133
Anderson extrapolation: theta=1.9675030503 (1.9675030503)
-931.36200965
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1356192537
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4363572251 (a.u.)
total exchange computation time: 2.6760249138 s
-154.3781233013
Anderson extrapolation: theta=0.2277517302 (0.2277517302)
-931.36201629
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1356192537
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4362503047 (a.u.)
total exchange computation time: 2.6745839119 s
-154.3789076527
Anderson extrapolation: theta=1.8101511303 (1.8101511303)
-931.36201760
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1356192537
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4360857321 (a.u.)
total exchange computation time: 2.6740231514 s
-154.3800686144
Anderson extrapolation: theta=0.2776586809 (0.2776586809)
-931.36201916
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1356192537
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.4360691402 (a.u.)
total exchange computation time: 2.6753540039 s
-154.3801375627
Anderson extrapolation: theta=1.3058421565 (1.3058421565)
-931.36201950
-208.854143 50.160353 -116.188731
-134.126555 459.202131 -798.210700
-342.980698 509.362484 -914.399432
1101.459132
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1356192537
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4360692670 (a.u.)
total exchange computation time: 2.6738481522 s
679.81344050
-1086.04151932
89.80342052
-387.51291547
-174.98837671
79.56861967
551.60419304
0.00000000
-931.36201975
-10.81354456 -4.22282423 6.73250251
-0.00027316 -0.00000414 -0.00005820
0.02655329 -0.01949298 0.04201344
-14.19460255 3.48156212 9.48844859
0.00006900 0.00005958 -0.00012315
0.00133228 -0.01180895 -0.00188626
-15.98429743 1.25797561 3.53886879
0.00005887 0.00019776 -0.00009181
0.04296184 0.02811160 -0.01119892
2.38736417 -19.79242692 12.83939671
0.00018555 -0.00010359 -0.00015543
-0.03583509 0.00231568 -0.04718272
9.53209902 20.43328727 0.81150753
0.00012403 -0.00007532 0.00049407
0.02764832 0.01533538 -0.01442593
-11.72184383 12.71489964 15.07783334
-0.00055991 -0.00042265 0.00000349
0.00105464 0.00224192 -0.01184134
-6.38127468 1.56936343 -12.10132775
0.00018502 -0.00028627 -0.00019390
0.00378695 -0.01837824 0.00041260
-7.41174116 7.81024339 -5.88832959
0.00013213 0.00000540 0.00001092
0.00010327 0.01649847 -0.02522165
-7.61681799 -4.51684910 17.91881186
-0.00009998 0.00037120 -0.00029355
0.02434095 -0.00468934 -0.02979876
-23.40218256 -4.80646972 -22.46711046
-0.00017568 -0.00043092 -0.00011592
0.00030527 0.01329342 -0.03394724
6.64547855 12.78230405 6.06172810
0.00000099 -0.00001613 0.00013232
-0.01121553 0.00805048 -0.02235158
24.64521796 30.32695679 -2.78959353
0.00012384 0.00008020 -0.00035256
0.01356423 -0.01455305 0.00660215
7.90831137 -1.31388499 -14.32115269
0.00003916 0.00007861 -0.00042172
-0.00641510 0.01855563 0.03746924
-7.11107825 -0.88436820 14.30731945
-0.00023120 -0.00003984 0.00020373
0.01193878 0.01263345 -0.00569503
-1.97920701 -26.21035232 11.30535272
0.00005244 -0.00013160 0.00008761
0.01972939 -0.00238027 0.02920653
-14.28636151 -4.66781022 -7.09766548
0.00026971 0.00011462 0.00015102
-0.00096168 -0.00492303 -0.01270905
-20.00584443 -12.45580398 -17.89997840
-0.00019952 -0.00019098 0.00001191
0.02410625 -0.03293802 0.00455778
22.60945166 3.60683921 3.11622485
0.00020096 -0.00005038 -0.00022872
0.01244920 0.02671974 -0.01197690
17.80350808 -10.00046927 -14.33832894
-0.00000027 -0.00033107 -0.00002356
0.01534422 -0.00248947 -0.02470768
-2.22528210 1.95323301 -7.24598091
0.00032241 -0.00013601 0.00036062
-0.01881151 0.00774846 0.01961323
-4.07171109 -3.01353841 -15.63422440
-0.00012551 -0.00007130 0.00003363
0.01198374 -0.00146186 0.01207053
13.42402504 17.16440714 -20.27432982
-0.00005832 0.00015789 0.00035991
-0.03077329 -0.02373654 -0.00338214
-16.56819341 16.03504452 -12.07175694
0.00069371 0.00004852 -0.00010112
-0.00453022 0.03093960 0.03553034
1.36897033 14.21975451 7.57024721
0.00051883 0.00029002 -0.00003766
0.00845067 0.01849164 -0.00257405
-5.14931524 -9.57747950 2.03352611
-0.00010476 -0.00009643 0.00016162
0.00671966 -0.00010568 0.00795623
3.09995894 -6.23893803 2.45730795
-0.00003951 -0.00066655 0.00011505
0.01466810 0.02445005 -0.00178781
10.84518030 4.82364705 4.68844448
0.00007373 0.00007266 -0.00039036
0.02539688 -0.00628312 0.00340547
-8.55095290 -9.76815442 -2.52701333
0.00006613 0.00032178 -0.00052147
0.00672020 -0.02274117 0.00808202
3.08544171 -15.95555648 -13.29175171
0.00022011 -0.00026193 0.00033765
0.03344571 -0.00172014 -0.03259020
4.86162614 -8.47536545 -5.78840253
0.00002568 0.00004776 0.00050470
0.00824929 0.01983728 -0.01745196
18.54468711 0.68497120 24.87086748
0.00013289 0.00028059 -0.00026135
-0.00498647 0.01629506 0.00515117
-8.03211611 3.15721190 0.98620129
-0.00048666 -0.00008276 0.00017774
-0.03290974 -0.00021121 0.02783600
-7.95797840 14.20340695 -10.68040817
0.00028149 -0.00002715 0.00019369
0.03154955 0.01930609 0.01068063
1.66438315 11.34880835 -9.06390045
0.00010762 -0.00004534 0.00016311
-0.00443886 0.02717366 0.02626602
-11.89844953 9.88703146 -13.77317026
0.00024723 0.00035290 -0.00032698
-0.02673202 0.01602627 -0.00014449
7.33995695 4.17713871 14.71606248
-0.00031835 -0.00002507 0.00005939
-0.00409707 0.02232412 -0.02855247
-14.59030778 9.47306612 -9.45795451
0.00002559 -0.00034252 0.00036688
0.01668334 0.01145145 0.03323296
8.51502655 8.40650376 -3.08972150
-0.00004322 -0.00026436 -0.00015075
-0.02706632 0.03115656 0.02240610
13.63294281 -20.36427602 -25.74313937
0.00018835 -0.00007665 0.00004591
0.01073296 0.00102848 0.00818829
6.33217361 6.42206468 2.75102367
0.00017737 0.00036283 -0.00007824
-0.00143617 0.02841200 -0.03409846
19.27866176 -5.78344627 -6.39510181
-0.00023015 0.00007462 -0.00030376
-0.03825546 0.02771114 -0.01668812
-1.73896111 0.12771091 -2.41034893
-0.00009084 -0.00011616 -0.00023606
-0.02162237 -0.00222551 0.00796279
2.43973180 -1.93158787 -12.47580350
-0.00001930 0.00013890 0.00021386
0.00902860 -0.03739045 0.02737186
20.69944466 9.29516530 -5.25664590
-0.00043785 0.00026246 0.00012152
-0.03777539 0.03026955 0.01798171
-7.48209983 6.48394007 9.43836555
0.00010817 -0.00000321 0.00008767
-0.01078996 0.00348703 -0.02675461
-2.69840554 -14.60476496 11.68469008
0.00007404 -0.00001974 -0.00038988
0.00812804 -0.00903689 0.00759738
8.16408138 0.45134044 -4.94468283
-0.00014284 0.00011807 -0.00007334
0.02487514 -0.04929201 -0.04554135
-0.00251131 -10.00089988 0.53018146
-0.00004688 -0.00011780 -0.00000070
-0.00335706 0.00083323 -0.01519586
-20.03173706 -1.52504922 4.72901391
-0.00020471 0.00035006 0.00012588
-0.00506638 0.01567078 0.01442631
-4.74119563 7.64774800 -23.42420077
0.00028664 0.00001397 -0.00027013
-0.00317587 -0.01292150 -0.01122584
2.58367821 2.46885090 -1.51438739
-0.00011365 -0.00043421 0.00041812
-0.00970068 0.03445850 -0.00933248
15.51355006 7.63644434 4.68905560
-0.00000598 -0.00035417 0.00009805
-0.01097934 -0.04218339 -0.00265455
-9.27942193 -5.07154994 7.43177999
0.00005107 0.00075404 0.00016959
-0.02790647 0.01145446 -0.01581765
-10.61344881 -3.94040014 4.97261639
-0.00003828 0.00090967 0.00001817
0.01169469 -0.00206385 -0.01956319
-13.08972797 4.86063598 9.12380563
0.00077942 -0.00035300 -0.00091686
0.00824286 0.00897161 -0.00668988
-13.40947831 1.99316397 8.66268701
0.00031329 -0.00047983 -0.00019454
-0.00633909 0.01659931 0.00365357
-14.62932418 0.94725886 4.74637796
-0.00102487 0.00134794 0.00001027
-0.00992086 0.00407589 0.00319641
-17.18600713 0.00990522 3.93136581
-0.00024681 -0.00059208 0.00038645
-0.02793597 -0.02705636 0.00971404
2.37233262 -21.21946870 11.61301819
0.00099763 0.00038356 0.00033646
0.00487781 0.01052275 0.01296238
3.50122187 -20.19615915 14.11401179
0.00012713 0.00006033 0.00105697
0.03643125 -0.00934524 0.03297614
8.77768798 18.78968544 0.60516933
-0.00025687 -0.00021481 0.00080341
-0.01822114 -0.00003607 0.00773310
8.66814517 21.75893385 1.75400230
0.00037017 -0.00017424 0.00029882
-0.01645638 -0.01786677 -0.00360788
-10.49603102 12.38196628 16.35968895
-0.00081279 -0.00054810 -0.00012882
0.01078105 -0.00607946 0.01579922
-12.56585170 14.22362087 15.62136886
-0.00016434 0.00023267 0.00097625
-0.00346617 0.01084826 -0.00006942
-5.85481914 0.15766699 -13.16763612
0.00062077 0.00050699 0.00017261
-0.00071068 0.01072521 0.00214901
-6.66431768 0.74058112 -10.43120163
0.00002433 0.00059369 -0.00124471
-0.00360191 0.00871627 -0.01143197
-6.71804903 6.54876753 -4.84654910
-0.00022549 -0.00012094 -0.00038280
0.00750209 -0.01845065 0.01557223
-9.18316407 7.67459437 -5.61315020
-0.00031120 0.00032305 0.00056392
-0.01363257 -0.00145202 0.00066694
-8.69286544 -3.49611210 18.85750561
-0.00013314 0.00038805 0.00071167
-0.02110830 0.02104408 0.02349798
-7.70071928 -6.17489073 18.59793231
0.00009240 0.00006848 -0.00003551
-0.00473005 -0.02179433 0.01084179
-23.24470707 -3.26425436 -23.57768102
0.00035585 -0.00010183 0.00036907
-0.00643905 -0.01827018 0.02763739
-23.51739582 -4.30563478 -20.73344759
0.00097237 -0.00061559 -0.00036518
0.00036844 0.00869561 -0.00012328
6.88697596 13.24759106 4.29032353
-0.00042601 -0.00000731 -0.00053205
-0.00600576 0.00606291 0.00557470
8.00032717 11.61546084 6.27515281
-0.00004791 0.00039873 -0.00023029
0.01846196 -0.01579469 0.01707767
24.45218425 28.69034084 -1.98020643
0.00034502 0.00062122 -0.00035978
0.00507790 0.00133317 -0.00849991
23.80725181 31.46229867 -1.65576855
-0.00027369 0.00032954 0.00021350
-0.00434884 0.01838576 0.01748730
9.38300756 -2.46078885 -14.06937073
0.00061619 0.00025228 -0.00136127
-0.00873055 0.00580817 -0.00592383
7.32872767 -0.63450181 -12.65223071
0.00099552 0.00019465 0.00033194
0.00817766 -0.02215124 -0.02927425
-7.33919590 -0.44757877 16.02922254
-0.00046143 0.00014881 -0.00008809
0.01358734 0.03486106 0.02642270
-8.11984848 -2.30526523 14.51196164
-0.00127020 -0.00005344 -0.00094305
-0.02108572 -0.04668792 -0.01898896
-2.57393518 -26.83589102 13.02396251
0.00032828 0.00043425 0.00036796
0.00565326 0.00628809 -0.02501920
-3.20798354 -26.02819666 10.00964972
0.00049337 0.00051511 -0.00040174
-0.01554667 -0.00025191 -0.00892768
-13.75962838 -3.02381089 -6.51658968
-0.00065430 0.00040347 0.00045923
-0.00486302 0.01119548 0.00506742
-15.02289780 -4.46584031 -8.77570001
-0.00007635 0.00003225 0.00021889
0.00411621 -0.00387753 0.00465201
-18.67939394 -11.72958949 -16.88432010
-0.00011806 0.00108454 0.00133980
0.00249566 0.02687351 0.01117392
-18.86186948 -13.91357573 -18.27735970
0.00033166 -0.00018314 0.00007169
-0.01762503 0.00820926 -0.01024469
23.08909827 3.73936123 1.33151823
0.00079100 -0.00085817 0.00015224
-0.00312725 -0.02370975 0.00061283
23.20157994 5.29299761 3.52983767
-0.00041143 0.00021509 0.00050594
-0.00734264 -0.00475572 0.02160704
16.42255024 -9.45984484 -13.30225342
-0.00104474 -0.00085167 0.00092077
-0.01352331 0.00636901 0.00487962
17.61244318 -9.32203128 -16.06841410
-0.00055361 -0.00081622 -0.00099206
-0.00384322 -0.00470401 0.01793595
-0.60454219 2.55450320 -7.79346749
-0.00022940 0.00013268 -0.00019314
0.01438050 -0.00638697 -0.01331593
-2.79700934 0.62992006 -8.34136259
0.00088879 -0.00150369 0.00082058
0.00230972 -0.00315189 -0.00570442
-5.66398214 -2.96891591 -16.45643414
-0.00064184 -0.00058990 -0.00045413
-0.01264145 -0.00061196 -0.01058853
-2.99401954 -2.03230801 -16.74279888
-0.00038111 0.00028365 0.00025021
-0.00410538 0.00307830 -0.00049995
12.82874889 18.54486554 -21.27661851
-0.00039123 0.00034001 0.00037614
0.00803662 0.02392405 -0.00355049
11.78308320 16.21964690 -20.50812137
-0.00009054 0.00025941 0.00060046
0.02434661 -0.00347552 0.00838952
-15.35284429 15.46540974 -13.21832913
-0.00112328 0.00018899 -0.00017399
0.03049524 -0.00828967 -0.02702436
-17.95357813 15.02219575 -12.55286793
0.00012249 0.00021146 -0.00056997
-0.02702881 -0.02087693 -0.00019291
2.53183819 15.08048184 6.42678865
0.00030637 0.00102358 0.00045547
-0.00342334 -0.01294347 -0.00839055
0.38760254 15.62704870 8.18254021
0.00192818 -0.00008706 -0.00067737
-0.00970251 -0.00199650 0.00568926
-6.36376454 -8.36492935 1.38685263
-0.00125344 0.00048988 -0.00093526
0.00880546 0.00192873 0.00098992
-3.42977887 -9.05455503 1.52651768
-0.00002102 -0.00067939 0.00075369
-0.01023046 -0.00567751 -0.00282316
2.66622377 -4.47085038 2.84954759
-0.00071642 0.00146177 -0.00025150
-0.00199655 -0.01124457 0.00313623
4.58996375 -5.97926586 1.37836746
-0.00044965 0.00031522 -0.00016677
-0.00587482 -0.01274737 0.00737645
9.43594176 5.85486725 4.22339338
-0.00100492 0.00024100 0.00037742
-0.01425104 0.00747446 -0.00588539
12.32109015 5.95365924 4.71375451
-0.00033100 0.00042481 -0.00011724
-0.00580848 -0.00273449 0.00428808
-7.70457640 -11.38603136 -2.03375519
0.00021483 -0.00052271 0.00076342
-0.00477903 0.02275128 -0.01299067
-9.94407660 -9.60327286 -1.35119057
0.00051196 -0.00038659 0.00049944
-0.00216628 0.00487727 -0.00089341
4.66716847 -16.94045534 -13.59704442
-0.00044677 0.00095077 -0.00187793
-0.01864236 0.01748297 -0.00283186
2.65966337 -16.69450554 -11.75033270
0.00084096 0.00109179 -0.00049845
-0.01651382 -0.01433613 0.03571203
5.99171249 -6.95447922 -6.05544713
0.00011906 0.00031839 -0.00090036
-0.01955306 -0.01883177 0.00951551
4.90834758 -8.88259841 -4.04126490
-0.00036175 0.00053475 -0.00047434
0.00349176 0.00209495 0.01433475
17.05441226 1.59866955 24.31306933
-0.00022884 0.00025598 0.00048173
-0.01688987 -0.00933888 -0.00457897
19.38849312 2.18963958 25.52291057
0.00001392 0.00072965 -0.00080351
0.01556109 -0.01016781 -0.00111270
-9.54369745 2.96864533 2.14230367
-0.00054408 0.00006769 0.00004646
0.02319415 0.00316367 -0.01191808
-7.86166458 4.97296634 1.01380672
-0.00007373 0.00006738 -0.00057804
0.01153376 0.00296745 -0.00331833
-6.68729808 14.95011481 -9.49471242
0.00115114 -0.00039387 0.00079693
-0.02392647 -0.01492063 -0.01779656
-9.42470458 13.81484422 -9.65346452
-0.00065848 0.00007951 0.00073629
-0.00388438 -0.00486553 0.00456863
0.10780124 11.05977171 -8.11578923
-0.00037351 -0.00011002 -0.00044108
0.00299762 -0.00767074 -0.00642976
2.38705705 12.64032889 -7.84033504
-0.00000970 0.00087476 0.00049753
0.00630879 -0.02074133 -0.02524370
-10.47027236 8.82584837 -13.75165725
0.00024134 -0.00013038 0.00028444
0.02160169 -0.01490714 0.00523557
-12.75665741 9.81153474 -12.11233223
0.00012578 -0.00010783 0.00131789
0.00502247 -0.00179777 -0.00808107
7.17844232 5.97907276 14.77627501
-0.00034416 0.00092413 0.00053012
0.00019921 0.01649479 0.02040469
7.56344462 4.20194915 12.87647002
-0.00102782 0.00089492 0.00010013
0.00318633 -0.02646294 -0.00003996
-14.08567804 10.68844986 -8.03381098
-0.00021180 0.00066193 0.00007836
-0.00262273 -0.02147454 -0.03032585
-16.38270346 9.44065520 -9.45179672
-0.00053846 0.00076265 -0.00026033
-0.02035692 0.00446640 -0.00427470
8.97651112 9.82109994 -1.95253727
-0.00101832 0.00035104 0.00006201
0.00505686 -0.01528187 -0.01252576
6.71436118 8.92483117 -3.25766031
0.00157497 -0.00048498 -0.00140806
0.01823721 -0.01675294 -0.00668535
12.07042570 -20.53088091 -26.57962671
0.00043812 0.00013495 -0.00029664
-0.02374270 -0.00071155 -0.01309483
13.19930452 -19.73026489 -24.02941474
-0.00012987 0.00057683 0.00027131
0.01443451 -0.00798156 -0.00931291
5.80334189 4.71721894 2.76071957
-0.00118184 -0.00040916 -0.00089609
-0.00594404 -0.03778986 0.01430199
6.49216624 6.63064206 0.89770197
-0.00088727 0.00039062 -0.00025953
0.00419238 0.00893427 0.01955764
20.42047089 -6.66027225 -5.40889561
0.00042556 0.00016307 -0.00053840
0.02854089 -0.02285685 0.02544482
18.10600290 -4.90887151 -5.25648374
-0.00010505 -0.00090937 -0.00062654
0.00472576 -0.00551147 -0.00533785
-3.32505778 0.20039893 -1.35090001
0.00098712 -0.00077921 0.00027312
0.03324029 0.00538860 -0.02476265
-1.99009539 0.74868143 -4.16275958
0.00048321 0.00087499 0.00010472
-0.01331130 -0.00368629 0.00597217
3.72460588 -3.38304551 -12.13139841
-0.00082763 -0.00019269 0.00039471
-0.02132015 0.03063758 -0.01238794
0.85234765 -2.54721687 -11.58578504
-0.00079140 0.00032798 0.00122637
0.01287071 0.00275070 -0.01562219
20.53590077 8.29173930 -6.68678718
-0.00078285 -0.00060646 -0.00022363
-0.00569271 -0.02459221 -0.03544154
22.27834167 8.91083268 -4.51159906
-0.00056952 -0.00088012 -0.00019615
0.02683937 -0.01178165 0.00515997
-7.51072283 4.69098357 9.04736114
-0.00042134 -0.00004026 -0.00040095
0.00333170 -0.00619600 -0.00037740
-7.31096273 6.43383117 11.19106449
0.00014551 -0.00048243 -0.00101828
-0.00430403 0.00123164 0.03600075
-3.11079723 -16.34513051 12.02466275
-0.00008756 0.00021436 -0.00044621
0.01219705 -0.01125217 -0.00303741
-4.36460697 -13.96771551 11.84535135
0.00011883 0.00050432 0.00004017
-0.01278185 0.02125972 -0.00177752
8.02724714 0.13554579 -3.25931855
0.00062814 0.00001770 0.00004433
-0.00725329 -0.00322666 0.06062724
7.63785081 2.05067737 -5.53692837
0.00006521 0.00007044 -0.00016471
-0.00895819 0.03164419 -0.00539761
0.95761817 -10.38629747 2.05211763
0.00064740 -0.00085594 -0.00084595
0.00264173 -0.00019700 -0.00142762
0.57441577 -8.34913032 -0.06608808
-0.00073550 0.00037386 -0.00023947
-0.00417818 -0.00471530 0.01036012
-19.82928989 -1.55923320 6.65855729
0.00005272 0.00047464 -0.00023564
-0.00641808 -0.00036815 -0.02300732
-20.68373508 0.16938295 4.28405478
-0.00004776 -0.00089252 -0.00000112
0.00096603 -0.01281063 0.00620861
-3.61540156 7.79743296 -24.95662284
-0.00065400 0.00019757 -0.00002646
-0.00941561 0.01993279 0.03491860
-4.43473995 8.75857997 -21.99031171
-0.00062865 0.00010499 -0.00097342
0.01318828 0.00113481 -0.01996057
3.29702379 0.88744009 -1.18853442
0.00119285 0.00032099 0.00074152
0.01826294 -0.02521124 0.00915922
0.90089245 1.98492410 -2.09047688
0.00044670 0.00069889 -0.00040452
-0.00800966 -0.00539206 0.00135051
16.29718556 7.72671124 6.29826793
-0.00011532 -0.00036259 -0.00021974
0.00087568 -0.00989213 0.02495044
15.86081015 9.24143791 4.13589088
0.00013341 0.00046733 -0.00043929
0.00570225 0.05529813 -0.03055527
-0.34051293 -11.82497620 -13.45651245
-0.00005812 0.00004017 0.00024120
0.00530525 -0.00537797 0.00241659
-13.92566409 14.56809029 22.07587182
-0.00003022 -0.00009300 0.00013710
0.00409175 -0.00092891 0.00080606
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02841501
0.33360475
444.51159835
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1362682531
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.4284276353 (a.u.)
total exchange computation time: 2.6813080311 s
-154.2976365896
-931.36389811
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1362682531
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4272309461 (a.u.)
total exchange computation time: 2.6808431149 s
-154.3080717864
Anderson extrapolation: theta=1.3489454547 (1.3489454547)
-931.36413560
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1362682531
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.4254607314 (a.u.)
total exchange computation time: 2.6800458431 s
-154.3232283834
Anderson extrapolation: theta=0.0527999585 (0.0527999585)
-931.36427738
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1362682531
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.4252491846 (a.u.)
total exchange computation time: 2.6788408756 s
-154.3249055995
Anderson extrapolation: theta=1.8984042445 (1.8984042445)
-931.36428276
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1362682531
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4248150044 (a.u.)
total exchange computation time: 2.6788640022 s
-154.3283083452
Anderson extrapolation: theta=0.2175969787 (0.2175969787)
-931.36428851
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1362682531
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4247108257 (a.u.)
total exchange computation time: 2.6815700531 s
-154.3290913762
Anderson extrapolation: theta=1.8426916217 (1.8426916217)
-931.36428963
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1362682531
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4245438559 (a.u.)
total exchange computation time: 2.6784348488 s
-154.3303083275
Anderson extrapolation: theta=0.2852499646 (0.2852499646)
-931.36429108
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1362682531
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4245226030 (a.u.)
total exchange computation time: 2.6806788445 s
-154.3304244762
Anderson extrapolation: theta=1.3262134665 (1.3262134665)
-931.36429144
-208.901067 50.236210 -116.171193
-134.146746 459.257127 -798.245319
-343.047813 509.493338 -914.416512
1101.554729
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1362682531
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.4245153565 (a.u.)
total exchange computation time: 2.6792728901 s
679.63479875
-1085.65264040
89.81505643
-387.77894965
-174.95804155
79.35314579
551.60419304
0.00000000
-931.36429178
-10.81753948 -4.22296153 6.73179162
-0.00025957 -0.00001405 -0.00003698
0.02626552 -0.01906019 0.04049325
-14.19356244 3.48241021 9.48659410
0.00007055 0.00005335 -0.00012472
0.00471703 -0.01239810 -0.00422602
-15.98324862 1.26105046 3.53744838
0.00007807 0.00021097 -0.00009826
0.03170251 0.02326233 -0.01386863
2.39000916 -19.79397185 12.83688326
0.00016878 -0.00010206 -0.00017714
-0.02936450 0.00362967 -0.03722740
9.53406613 20.43221659 0.81886292
0.00013822 -0.00006836 0.00048636
0.02752838 0.01174463 -0.01556140
-11.73023844 12.70856852 15.07784002
-0.00056026 -0.00042010 -0.00000237
-0.00241091 0.00769260 -0.01094532
-6.37848474 1.56499855 -12.10423463
0.00018688 -0.00029380 -0.00019471
0.00342939 -0.01091788 -0.00359005
-7.40975882 7.81038799 -5.88826313
0.00013083 0.00001417 -0.00000216
-0.00515120 0.01763135 -0.02562095
-7.61822388 -4.51129917 17.91429373
-0.00008857 0.00036878 -0.00030763
0.02004385 -0.00472369 -0.02497316
-23.40481655 -4.81288231 -22.46898028
-0.00017545 -0.00042415 -0.00013397
0.00056283 0.01306664 -0.03622100
6.64545007 12.78209318 6.06362670
-0.00000523 -0.00001134 0.00011977
-0.01296139 0.01056937 -0.02646809
24.64712788 30.32810361 -2.79485644
0.00013015 0.00007451 -0.00034865
0.01096927 -0.00757732 0.00860297
7.90887407 -1.31263424 -14.32733390
0.00003592 0.00008830 -0.00040200
-0.00620562 0.01912209 0.03921715
-7.11450015 -0.88491704 14.31035341
-0.00022578 -0.00003448 0.00020040
0.00913487 0.00820468 -0.00726563
-1.97834435 -26.21233556 11.30677947
0.00006270 -0.00013259 0.00010225
0.02018366 -0.00147315 0.02774818
-14.28231960 -4.66610988 -7.09544921
0.00026917 0.00011220 0.00014447
-0.00113519 -0.00450358 -0.01277745
-20.00874424 -12.45879579 -17.89978224
-0.00018529 -0.00020705 0.00001557
0.03123937 -0.02954280 0.00970518
22.61251402 3.60618658 3.11274778
0.00020729 -0.00003646 -0.00023410
0.01219770 0.02741384 -0.00892788
17.80356319 -10.00544493 -14.33877762
0.00000579 -0.00033138 -0.00003591
0.00824493 0.00130400 -0.02333085
-2.22051851 1.95122272 -7.24049591
0.00031207 -0.00013301 0.00037007
-0.02138402 0.00393477 0.01712554
-4.07354752 -3.01461352 -15.63367335
-0.00012080 -0.00007209 0.00003929
0.00631567 -0.00160137 0.00994122
13.42303156 17.16668394 -20.26894414
-0.00007417 0.00014618 0.00035789
-0.03087107 -0.02181900 -0.00447529
-16.55780529 16.03589170 -12.07313662
0.00068839 0.00006442 -0.00008137
-0.01616043 0.03088554 0.04123409
1.37678540 14.22417611 7.56967243
0.00052452 0.00029785 -0.00003980
0.01366344 0.01196728 -0.00574645
-5.15086070 -9.57892640 2.03598104
-0.00010370 -0.00009504 0.00016497
-0.00260260 0.00553971 0.00509215
3.09942293 -6.24884197 2.45902681
-0.00003288 -0.00065059 0.00011479
0.01110389 0.03760928 0.00078393
10.84638428 4.82471272 4.68260217
0.00008533 0.00007016 -0.00038892
0.01971416 -0.00342554 0.00219576
-8.54993496 -9.76341549 -2.53480427
0.00006987 0.00030853 -0.00051623
0.00782309 -0.02878487 0.01231313
3.08887230 -15.95949209 -13.28681263
0.00023685 -0.00026046 0.00031774
0.03167346 0.00745947 -0.04483768
4.86204314 -8.47457249 -5.78089932
0.00003005 0.00005884 0.00049301
0.00873948 0.02322354 -0.02800562
18.54666121 0.68924290 24.86696714
0.00013025 0.00028924 -0.00025865
-0.00527260 0.01735218 0.00532436
-8.03954291 3.15596966 0.98897471
-0.00050331 -0.00008255 0.00019180
-0.03186181 0.00102293 0.02683283
-7.95363431 14.20307412 -10.67746157
0.00029695 -0.00001730 0.00020088
0.02854672 0.01901467 0.01728241
1.66598031 11.34823309 -9.06135253
0.00010556 -0.00003073 0.00017710
-0.00358363 0.02961855 0.02815293
-11.89484413 9.89238682 -13.77807550
0.00023318 0.00036046 -0.00032479
-0.02793356 0.01334398 0.00867548
7.33516590 4.17684877 14.71684312
-0.00032071 -0.00001154 0.00004504
-0.00509776 0.03029767 -0.02721669
-14.58985956 9.46797249 -9.45232313
0.00003291 -0.00033641 0.00038412
0.01176722 0.01231381 0.03382533
8.51427383 8.40265852 -3.09189633
-0.00005461 -0.00024848 -0.00013868
-0.01721401 0.03061222 0.02455008
13.63580953 -20.36542174 -25.74241920
0.00019374 -0.00007583 0.00005077
0.01021076 0.00215937 0.01074295
6.33482855 6.42761678 2.74971859
0.00017570 0.00037483 -0.00009583
-0.00505472 0.01822837 -0.03433478
19.27506190 -5.78222006 -6.39972259
-0.00024834 0.00008766 -0.00031265
-0.03246474 0.02298568 -0.01787064
-1.74040718 0.12595985 -2.41385909
-0.00010077 -0.00011751 -0.00023222
-0.01699093 -0.00298634 0.00697853
2.43947711 -1.92964859 -12.47248995
-0.00001592 0.00011939 0.00022849
0.00410080 -0.03849721 0.02949239
20.69273114 9.29921889 -5.25475378
-0.00045723 0.00027667 0.00012891
-0.03759063 0.02501095 0.01078628
-7.48051889 6.48390534 9.43957743
0.00010233 -0.00000176 0.00007132
-0.01194047 0.00217348 -0.03681667
-2.69726358 -14.60509600 11.67887119
0.00007787 -0.00002383 -0.00038596
0.00676711 -0.00686363 0.00766118
8.16203480 0.45292134 -4.94595864
-0.00013019 0.00009244 -0.00009621
0.02430702 -0.05035431 -0.04336535
-0.00322751 -10.00266371 0.53011238
-0.00004876 -0.00011700 -0.00000906
-0.00394709 0.00229071 -0.01731064
-20.03482729 -1.51973785 4.73095778
-0.00020654 0.00035626 0.00013325
-0.00204382 0.00842107 0.01422990
-4.73690832 7.64790774 -23.42829602
0.00028402 0.00000644 -0.00027589
-0.00698348 -0.01637193 -0.01117633
2.58193601 2.46247072 -1.50815156
-0.00011767 -0.00041585 0.00041363
-0.00590395 0.03691281 -0.00812966
15.51341803 7.63096914 4.69051603
-0.00001140 -0.00037326 0.00009508
-0.01008569 -0.03207245 -0.00889061
-9.27951105 -5.05988837 7.43383917
-0.00006222 0.00080005 0.00010515
-0.02755072 0.01107088 -0.01572835
-10.61366470 -3.92681832 4.97228950
0.00000957 0.00090084 -0.00005903
0.01172790 -0.00225648 -0.01822701
-13.07778415 4.85561595 9.10984777
0.00080949 -0.00031962 -0.00094251
0.00647724 0.00736618 -0.00586578
-13.40497316 1.98647516 8.65988080
0.00028397 -0.00040752 -0.00017678
-0.00801682 0.01879928 0.00504446
-14.64500130 0.96760283 4.74663002
-0.00105432 0.00136247 0.00003220
-0.00449298 0.00303824 0.00753807
-17.19056533 0.00019492 3.93746027
-0.00034959 -0.00069043 0.00042230
-0.02237411 -0.02108415 0.00783210
2.38744659 -21.21339280 11.61846235
0.00101715 0.00041959 0.00038354
0.00467407 0.00711097 0.01008253
3.50424525 -20.19554057 14.13087679
0.00026315 0.00002674 0.00117747
0.03014942 -0.00709807 0.02601195
8.77327663 18.78646224 0.61745741
-0.00032914 -0.00021136 0.00083511
-0.01715539 0.00172198 0.00778592
8.67319340 21.75577271 1.75837400
0.00030121 -0.00024370 0.00028665
-0.01729830 -0.01613064 -0.00234657
-10.50789254 12.37355844 16.35824073
-0.00076570 -0.00057462 -0.00006204
0.01227216 -0.00690060 0.01689104
-12.56842306 14.22744331 15.63601046
-0.00017410 0.00026829 0.00097189
-0.00130821 0.00659079 -0.00206331
-5.84552939 0.16560046 -13.16498116
0.00062066 0.00054260 0.00017538
0.00065946 0.00670658 -0.00079353
-6.66406308 0.74975353 -10.45022266
0.00000768 0.00062215 -0.00127695
-0.00455066 0.00521547 -0.00434880
-6.72120149 6.54638808 -4.85181393
-0.00019299 -0.00019965 -0.00031688
0.00840874 -0.02008171 0.01669720
-9.18824979 7.67939560 -5.60467090
-0.00035801 0.00031799 0.00056509
-0.00927977 -0.00102258 -0.00009582
-8.69550933 -3.48964651 18.86890071
-0.00021109 0.00046677 0.00080069
-0.01705022 0.01749226 0.02007856
-7.69947829 -6.17453138 18.59773191
0.00007343 -0.00001396 0.00000606
-0.00455159 -0.01855830 0.00950368
-23.23956659 -3.26634165 -23.57129805
0.00032942 -0.00017668 0.00048019
-0.00649903 -0.01837131 0.02675646
-23.50279899 -4.31460224 -20.73892900
0.00097341 -0.00057939 -0.00035953
0.00014329 0.00902899 0.00288825
6.88040170 13.24766719 4.28251359
-0.00045140 0.00001537 -0.00050153
-0.00642279 0.00503982 0.00936746
8.00017432 11.62095777 6.27222185
0.00003142 0.00033104 -0.00015995
0.02036926 -0.01733986 0.01735425
24.45751516 28.69970000 -1.98586363
0.00036496 0.00061923 -0.00039089
0.00468348 -0.00230878 -0.00672562
23.80301313 31.46780515 -1.65203020
-0.00028620 0.00039774 0.00027692
-0.00177284 0.01499920 0.01355751
9.39198293 -2.45682663 -14.08997135
0.00057910 0.00027650 -0.00138480
-0.00942805 0.00604799 -0.00559157
7.34391112 -0.63226083 -12.64814867
0.00102945 0.00010235 0.00020862
0.00842757 -0.02302937 -0.03109376
-7.34570100 -0.44427832 16.02871091
-0.00040697 0.00028902 0.00002157
0.01307274 0.03376958 0.02725493
-8.13954769 -2.30749746 14.49723403
-0.00134940 -0.00023268 -0.00101997
-0.01768035 -0.04105447 -0.01866285
-2.56883767 -26.82918451 13.02871530
0.00034943 0.00045922 0.00026613
0.00469609 0.00593080 -0.02482963
-3.20105944 -26.02047774 10.00335008
0.00043097 0.00051346 -0.00043570
-0.01499689 -0.00055459 -0.00769803
-13.76959184 -3.01741582 -6.50954590
-0.00067460 0.00044791 0.00047950
-0.00507714 0.01056093 0.00485509
-15.02391696 -4.46547541 -8.77227404
-0.00005884 0.00001660 0.00023811
0.00445451 -0.00378305 0.00475382
-18.68108830 -11.71249790 -16.86388072
-0.00012150 0.00118345 0.00137237
-0.00418321 0.02154097 0.00476915
-18.85743471 -13.91607130 -18.27659833
0.00025909 -0.00014538 0.00003188
-0.01789671 0.01027691 -0.00923917
23.10086747 3.72576210 1.33382067
0.00077973 -0.00095257 0.00015176
-0.00239275 -0.02250066 -0.00085093
23.19518346 5.29607818 3.53808889
-0.00044252 0.00019238 0.00059098
-0.00787447 -0.00635942 0.02002037
16.40646469 -9.47242468 -13.28829241
-0.00108580 -0.00083049 0.00092868
-0.00657398 0.00399842 -0.00100470
17.60402131 -9.33441874 -16.08274537
-0.00056923 -0.00083803 -0.00090941
-0.00380232 -0.00596960 0.02251868
-0.60754257 2.55629766 -7.79677262
-0.00016766 0.00010772 -0.00024831
0.01584440 -0.00582912 -0.01369131
-2.78360666 0.60726811 -8.32922862
0.00090051 -0.00150979 0.00080298
0.00342716 0.00016875 -0.00291292
-5.67399715 -2.97778318 -16.46357060
-0.00068224 -0.00059271 -0.00049181
-0.00713276 -0.00076164 -0.00785662
-2.99986196 -2.02795900 -16.73906107
-0.00039733 0.00029708 0.00024689
-0.00383520 0.00349811 -0.00112622
12.82312678 18.55069886 -21.27108514
-0.00035702 0.00043432 0.00036388
0.00870556 0.02223790 -0.00245367
11.78247119 16.22343155 -20.49885733
0.00000800 0.00024453 0.00063453
0.02388764 -0.00380749 0.00828718
-15.36875898 15.46799050 -13.22176715
-0.00098111 0.00014867 -0.00029946
0.03909782 -0.01144751 -0.03439365
-17.95256906 15.02472797 -12.56142336
0.00001831 0.00013203 -0.00056678
-0.02396735 -0.01800649 0.00175540
2.53632890 15.09543895 6.43336365
0.00029508 0.00096888 0.00041848
-0.00210318 -0.01383465 -0.00971877
0.41622791 15.62568169 8.17255395
0.00187479 -0.00008034 -0.00064517
-0.01643103 0.00528467 0.01007530
-6.38229636 -8.35752207 1.37285408
-0.00120114 0.00048391 -0.00092320
0.01679883 -0.00485239 0.00491287
-3.43040767 -9.06491980 1.53773646
-0.00006006 -0.00070024 0.00074017
-0.00888110 -0.00453046 -0.00379328
2.65541624 -4.44926841 2.84587118
-0.00071848 0.00139056 -0.00024274
0.00098989 -0.02361289 0.00115208
4.58303890 -5.97492815 1.37609199
-0.00047248 0.00026226 -0.00013731
-0.00529811 -0.01317635 0.00704441
9.42043130 5.85871132 4.22887440
-0.00105306 0.00026448 0.00035608
-0.00931623 0.00401604 -0.00456392
12.31594720 5.95994760 4.71212729
-0.00035340 0.00041467 -0.00009998
-0.00515755 -0.00223092 0.00415966
-7.70150036 -11.39317479 -2.02270191
0.00019145 -0.00041923 0.00070479
-0.00666516 0.02790238 -0.01571083
-9.93646354 -9.60892231 -1.34372640
0.00050469 -0.00036501 0.00049250
-0.00139419 0.00569001 -0.00250430
4.65989568 -16.92565807 -13.62530016
-0.00051557 0.00101563 -0.00188753
-0.01503530 0.01426792 -0.00186906
2.67177168 -16.67856805 -11.75671505
0.00076952 0.00102107 -0.00032926
-0.01845568 -0.02027962 0.04710529
5.99289924 -6.95028049 -6.06866097
0.00003701 0.00023814 -0.00085843
-0.02060905 -0.02044787 0.01100894
4.90302831 -8.87451300 -4.04794080
-0.00034646 0.00054006 -0.00039751
0.00399270 0.00050705 0.02327823
17.05046207 1.60222305 24.32015500
-0.00029736 0.00021661 0.00046281
-0.01664871 -0.00993349 -0.00468520
19.38917870 2.20027278 25.51082388
0.00007775 0.00068660 -0.00080839
0.01568820 -0.01090615 -0.00127613
-9.55114783 2.96975763 2.14263543
-0.00045023 0.00008173 -0.00000124
0.02274384 0.00371066 -0.01143498
-7.86241704 4.97406793 1.00503443
-0.00002775 0.00007620 -0.00059066
0.01097387 0.00135186 -0.00286127
-6.67076413 14.94374956 -9.48330378
0.00104683 -0.00045786 0.00071887
-0.02713433 -0.01640493 -0.02041706
-9.43470086 13.81588772 -9.64228020
-0.00066170 0.00006287 0.00074686
0.00231087 -0.00327736 0.00060818
0.10229046 11.05788632 -8.12260251
-0.00035922 -0.00014067 -0.00046702
0.00399531 -0.00733264 -0.00626733
2.38710486 12.65281477 -7.83364562
0.00001274 0.00078400 0.00039058
0.00467509 -0.02368954 -0.02711000
-10.46599033 8.82343592 -13.74723021
0.00032522 -0.00018760 0.00030477
0.01945754 -0.01310532 0.00471479
-12.75461682 9.80986225 -12.09281154
0.00015289 -0.00011354 0.00126829
0.00824933 -0.00099891 -0.01619639
7.17328596 5.99344010 14.78485212
-0.00034157 0.00097571 0.00061238
0.00106868 0.00875699 0.01986203
7.54812503 4.21456204 12.87797073
-0.00101428 0.00078652 0.00009802
0.00343901 -0.02659692 -0.00099343
-14.08893548 10.69772082 -8.03356489
-0.00022223 0.00057215 -0.00004672
-0.00247941 -0.02247533 -0.03090040
-16.39140413 9.45223174 -9.45583268
-0.00061158 0.00078086 -0.00027836
-0.01543557 0.00444741 -0.00454967
8.96139131 9.82589719 -1.95199089
-0.00099716 0.00028533 0.00000903
0.00530170 -0.01688110 -0.01340872
6.73854455 8.91704305 -3.27898610
0.00162903 -0.00054866 -0.00143776
0.00822414 -0.01441746 -0.00785290
12.07626996 -20.52887849 -26.58447752
0.00034094 0.00013228 -0.00035018
-0.02382609 -0.00059524 -0.01311710
13.19779881 -19.72185709 -24.02563042
-0.00006966 0.00054177 0.00022848
0.01503936 -0.00917602 -0.01165524
5.78543213 4.70992360 2.74771643
-0.00119958 -0.00054399 -0.00083698
-0.00274109 -0.02821065 0.01463280
6.47898565 6.63677510 0.89440827
-0.00086896 0.00042797 -0.00017932
0.00477062 0.00934965 0.01970640
20.42772880 -6.65852667 -5.41619184
0.00053727 0.00007374 -0.00043879
0.02614565 -0.02086802 0.02331518
18.10457190 -4.92268090 -5.26604543
-0.00009252 -0.00092613 -0.00064136
0.00141046 -0.00269487 -0.00191378
-3.30923235 0.18887595 -1.34756196
0.00111473 -0.00075561 0.00017514
0.02922255 0.00616218 -0.02320094
-1.98325515 0.76169327 -4.16100575
0.00042696 0.00085958 0.00012849
-0.01422257 -0.00385761 0.00566149
3.71153811 -3.38499697 -12.12585741
-0.00091224 -0.00006788 0.00034421
-0.02009492 0.03045573 -0.01233198
0.84087105 -2.54221289 -11.56786814
-0.00073149 0.00034181 0.00115726
0.01645402 0.00401759 -0.01821185
20.52398363 8.28188886 -6.69122769
-0.00080527 -0.00069652 -0.00035424
-0.00528253 -0.01949439 -0.02849478
22.27062124 8.89726978 -4.51438314
-0.00046034 -0.00092739 -0.00017464
0.02660628 -0.01135536 0.00536814
-7.51694078 4.69018985 9.04133540
-0.00040765 -0.00006267 -0.00040238
0.00336608 -0.00477522 -0.00032637
-7.30891197 6.42663240 11.17689349
0.00013026 -0.00047782 -0.00085083
-0.00316257 0.00102960 0.04596855
-3.11173686 -16.34225985 12.01787648
-0.00003882 0.00016573 -0.00045829
0.01166044 -0.01255285 -0.00287513
-4.36321620 -13.95949918 11.84589949
0.00007027 0.00058930 0.00003272
-0.01098955 0.02033535 -0.00187103
8.03644698 0.13571246 -3.25679582
0.00059960 0.00000592 0.00028741
-0.00671813 -0.00254120 0.05836025
7.63855451 2.05270372 -5.53956442
0.00002872 0.00020009 -0.00018647
-0.00890346 0.03181838 -0.00525672
0.96741017 -10.39914255 2.03938463
0.00065966 -0.00085612 -0.00084904
0.00335752 0.00010533 -0.00008640
0.56325519 -8.34366686 -0.06936260
-0.00075296 0.00035063 -0.00019515
-0.00436704 -0.00665728 0.01133429
-19.82869571 -1.55212493 6.65431770
0.00002663 0.00047262 -0.00032538
-0.00635291 -0.00062057 -0.02092155
-20.68442192 0.15560255 4.28422829
-0.00004966 -0.00093006 0.00002053
-0.00189558 -0.00556522 0.00438497
-3.62550005 7.80100729 -24.95594973
-0.00068696 0.00027993 0.00010908
-0.00672079 0.02038378 0.03143143
-4.44376550 8.76018954 -22.00552465
-0.00057261 0.00011568 -0.00104726
0.01423935 0.00410027 -0.01618258
3.31547612 0.89148240 -1.17713090
0.00126467 0.00021798 0.00077762
0.01689546 -0.02521474 0.00851094
0.90734746 1.99524226 -2.09650322
0.00040968 0.00067173 -0.00040024
-0.01011020 -0.00790659 0.00074089
16.29548262 7.72096933 6.29573634
-0.00010930 -0.00040175 -0.00011366
0.00206943 -0.00928067 0.02698048
15.86298603 9.25014236 4.12836522
0.00015261 0.00067163 -0.00055580
0.00369580 0.04470780 -0.02647749
-0.34137053 -11.82438805 -13.45288801
-0.00005623 0.00003828 0.00024202
0.00524591 -0.00518506 0.00218918
-13.92611020 14.56669370 22.07792969
-0.00002926 -0.00009321 0.00013729
0.00413796 -0.00090835 0.00085837
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02853373
0.33575805
447.38076361
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1362682531
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4145446175 (a.u.)
total exchange computation time: 2.6788051128 s
-154.2442469338
-931.36473770
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1362682531
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4135157700 (a.u.)
total exchange computation time: 2.6802031994 s
-154.2534218757
Anderson extrapolation: theta=1.3478481479 (1.3478481479)
-931.36496621
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1362682531
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4119874540 (a.u.)
total exchange computation time: 2.6806271076 s
-154.2668153875
Anderson extrapolation: theta=0.0522466642 (0.0522466642)
-931.36510256
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1362682531
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4118009692 (a.u.)
total exchange computation time: 2.6793861389 s
-154.2683454205
Anderson extrapolation: theta=1.8770332175 (1.8770332175)
-931.36510771
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1362682531
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4114236044 (a.u.)
total exchange computation time: 2.6851449013 s
-154.2714132088
Anderson extrapolation: theta=0.2124062862 (0.2124062862)
-931.36511325
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1362682531
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.4113372389 (a.u.)
total exchange computation time: 2.6815249920 s
-154.2720934945
Anderson extrapolation: theta=1.8410455511 (1.8410455511)
-931.36511434
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1362682531
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4112035452 (a.u.)
total exchange computation time: 2.6795830727 s
-154.2731229787
Anderson extrapolation: theta=0.2842955025 (0.2842955025)
-931.36511580
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1362682531
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4111915235 (a.u.)
total exchange computation time: 2.6801722050 s
-154.2731910491
Anderson extrapolation: theta=1.3312527413 (1.3312527413)
-931.36511619
-208.951249 50.309121 -116.155563
-134.167639 459.308816 -798.278634
-343.118887 509.617937 -914.434196
1101.649178
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1362682531
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.4111954997 (a.u.)
total exchange computation time: 2.7618889809 s
679.43295806
-1085.21175536
89.82811021
-388.07995390
-174.92328007
79.10852900
551.60419304
0.00000000
-931.36511656
-10.82133177 -4.22324586 6.73139312
-0.00024631 -0.00002360 -0.00001688
0.02533013 -0.01804401 0.03768268
-14.19248594 3.48316265 9.48470700
0.00007386 0.00004702 -0.00012745
0.00812643 -0.01221872 -0.00637935
-15.98195525 1.26430477 3.53592098
0.00009132 0.00022153 -0.00010610
0.01980252 0.01778584 -0.01661481
2.39242761 -19.79548878 12.83408262
0.00015553 -0.00009981 -0.00019334
-0.02218188 0.00512597 -0.02579720
9.53624562 20.43123653 0.82609826
0.00015229 -0.00006331 0.00047803
0.02720504 0.00787676 -0.01681822
-11.73865165 12.70229675 15.07776227
-0.00056224 -0.00041479 -0.00000762
-0.00527022 0.01295266 -0.00948940
-6.37566833 1.56054944 -12.10716920
0.00018855 -0.00029734 -0.00019773
0.00308652 -0.00285158 -0.00813001
-7.40781622 7.81066861 -5.88839432
0.00012691 0.00002333 -0.00001525
-0.01011721 0.01796777 -0.02528705
-7.61947513 -4.50578569 17.90958295
-0.00007954 0.00036635 -0.00031899
0.01507547 -0.00471502 -0.01919531
-23.40744619 -4.81919410 -22.47112954
-0.00017513 -0.00041759 -0.00015296
0.00069115 0.01241789 -0.03762713
6.64532160 12.78196384 6.06532110
-0.00001218 -0.00000545 0.00010525
-0.01407677 0.01232824 -0.02998168
24.64912242 30.32919199 -2.80005297
0.00013509 0.00007251 -0.00034369
0.00824475 -0.00020213 0.01066875
7.90938889 -1.31123597 -14.33321256
0.00003283 0.00009821 -0.00038162
-0.00580100 0.01940846 0.04003211
-7.11785158 -0.88540259 14.31333132
-0.00022206 -0.00003162 0.00019650
0.00530949 0.00291587 -0.00788569
-1.97732599 -26.21433016 11.30842029
0.00007311 -0.00013306 0.00011587
0.02027738 -0.00033009 0.02521628
-14.27828645 -4.66444429 -7.09333150
0.00026859 0.00011008 0.00013797
-0.00109783 -0.00372633 -0.01248152
-20.01140305 -12.46201552 -17.89951121
-0.00016760 -0.00022127 0.00002186
0.03754240 -0.02575638 0.01474962
22.61567048 3.60574544 3.10920183
0.00021346 -0.00002225 -0.00023787
0.01177366 0.02784363 -0.00574794
17.80368191 -10.01041053 -14.33940630
0.00000827 -0.00032985 -0.00004742
0.00137186 0.00464366 -0.02142126
-2.21591990 1.94924278 -7.23487880
0.00030058 -0.00013194 0.00037819
-0.02330890 0.00022693 0.01443021
-4.07533523 -3.01570098 -15.63304562
-0.00011904 -0.00007296 0.00004382
0.00052887 -0.00178514 0.00768019
13.42179991 17.16879242 -20.26359299
-0.00008997 0.00013561 0.00035527
-0.03057670 -0.01925343 -0.00572380
-16.54754184 16.03697714 -12.07419819
0.00067731 0.00008004 -0.00005905
-0.02690428 0.02986855 0.04556109
1.38470588 14.22869005 7.56905331
0.00053285 0.00030226 -0.00004355
0.01873635 0.00517559 -0.00884851
-5.15242623 -9.58033057 2.03847525
-0.00010727 -0.00009097 0.00016695
-0.01128499 0.01028801 0.00258880
3.09897258 -6.25845576 2.46075172
-0.00002804 -0.00062837 0.00011577
0.00771327 0.04881641 0.00300530
10.84774034 4.82575196 4.67677680
0.00009392 0.00006913 -0.00038809
0.01365618 -0.00058264 0.00105189
-8.54885666 -9.75889863 -2.54250021
0.00007405 0.00029242 -0.00050886
0.00841438 -0.03385000 0.01634042
3.09254725 -15.96337015 -13.28221946
0.00025240 -0.00025440 0.00029197
0.02879281 0.01610652 -0.05536272
4.86252755 -8.47360037 -5.77361216
0.00003458 0.00007147 0.00047606
0.00889823 0.02590394 -0.03791634
18.54859463 0.69364846 24.86310788
0.00012740 0.00029842 -0.00025590
-0.00579765 0.01835300 0.00538965
-8.04721552 3.15473531 0.99195515
-0.00051928 -0.00008167 0.00020522
-0.03022189 0.00242962 0.02537881
-7.94907000 14.20288799 -10.67438165
0.00031074 -0.00000769 0.00021125
0.02510515 0.01836483 0.02302582
1.66754982 11.34788632 -9.05858742
0.00010390 -0.00001502 0.00019189
-0.00286860 0.03149062 0.02936915
-11.89145423 9.89784513 -13.78291382
0.00021885 0.00036648 -0.00031830
-0.02779489 0.01007346 0.01654883
7.33033553 4.17679256 14.71741380
-0.00032359 0.00000600 0.00003144
-0.00608413 0.03791324 -0.02567633
-14.58932056 9.46297386 -9.44643080
0.00003751 -0.00032996 0.00040150
0.00613283 0.01276339 0.03374722
8.51338831 8.39904946 -3.09388176
-0.00006068 -0.00023309 -0.00012551
-0.00640938 0.02923510 0.02665423
13.63875503 -20.36655081 -25.74161616
0.00019866 -0.00007449 0.00005670
0.00891742 0.00303797 0.01231024
6.33744450 6.43330951 2.74814864
0.00017209 0.00038151 -0.00011342
-0.00896737 0.00776786 -0.03406243
19.27121159 -5.78081652 -6.40448123
-0.00026315 0.00009800 -0.00032195
-0.02512163 0.01721434 -0.01831250
-1.74198433 0.12418576 -2.41731543
-0.00010812 -0.00011923 -0.00022905
-0.01155962 -0.00371213 0.00533224
2.43925405 -1.92800630 -12.46894887
-0.00001506 0.00009953 0.00024407
-0.00072892 -0.03872172 0.03110179
20.68572763 9.30346544 -5.25277845
-0.00047628 0.00028796 0.00013255
-0.03647624 0.01889323 0.00336054
-7.47903007 6.48388739 9.44050528
0.00009592 -0.00000098 0.00005022
-0.01297465 0.00084290 -0.04526225
-2.69606941 -14.60547998 11.67311140
0.00008087 -0.00002679 -0.00038197
0.00487751 -0.00462134 0.00783883
8.16017574 0.45411377 -4.94756901
-0.00011797 0.00006644 -0.00011735
0.02320432 -0.05078445 -0.03885580
-0.00397417 -10.00440987 0.52990975
-0.00005094 -0.00011552 -0.00001843
-0.00452956 0.00344552 -0.01912182
-20.03793329 -1.51436152 4.73301143
-0.00020675 0.00035858 0.00014045
0.00122890 0.00059899 0.01377337
-4.73267489 7.64794118 -23.43247748
0.00027938 -0.00000291 -0.00028148
-0.01109408 -0.01999893 -0.01057053
2.58014825 2.45637531 -1.50197845
-0.00011962 -0.00039661 0.00040984
-0.00168966 0.03790435 -0.00661009
15.51320819 7.62524650 4.69190788
-0.00001620 -0.00038684 0.00008896
-0.00860385 -0.02072670 -0.01491010
-9.28128866 -5.04754831 7.43493442
-0.00017243 0.00084366 0.00004192
-0.02639810 0.01027272 -0.01522173
-10.61316183 -3.91337479 4.97084555
0.00005725 0.00089091 -0.00012906
0.01161337 -0.00260484 -0.01605271
-13.06544336 4.85104736 9.09553042
0.00083175 -0.00029339 -0.00096456
0.00441954 0.00547635 -0.00492943
-13.40095934 1.98093849 8.65738375
0.00024832 -0.00032722 -0.00015386
-0.00943284 0.02050715 0.00617116
-14.66095378 0.98813299 4.74734407
-0.00106130 0.00137289 0.00007238
0.00107450 0.00206213 0.01213019
-17.19649476 -0.01080756 3.94403473
-0.00042868 -0.00076323 0.00045007
-0.01633968 -0.01455386 0.00576196
2.40284701 -21.20688109 11.62452443
0.00103593 0.00044078 0.00041808
0.00451834 0.00326305 0.00682611
3.50911638 -20.19535699 14.14933597
0.00037192 0.00000288 0.00126725
0.02309498 -0.00458178 0.01793417
8.76781388 18.78334456 0.63022266
-0.00039666 -0.00020047 0.00086693
-0.01590012 0.00360977 0.00778788
8.67718148 21.75162299 1.76260188
0.00022882 -0.00030563 0.00027982
-0.01813521 -0.01418910 -0.00099870
-10.51900195 12.36472768 16.35782770
-0.00071364 -0.00060410 0.00000808
0.01321055 -0.00753205 0.01743294
-12.57107460 14.23166967 15.65052561
-0.00017512 0.00028650 0.00095931
0.00080559 0.00232286 -0.00409770
-5.83619923 0.17394495 -13.16237483
0.00062645 0.00056129 0.00016577
0.00217421 0.00244089 -0.00390905
-6.66408739 0.75924557 -10.46951022
-0.00001319 0.00063559 -0.00127876
-0.00566359 0.00136230 0.00346229
-6.72383861 6.54277789 -4.85605545
-0.00015776 -0.00028334 -0.00024777
0.00883297 -0.02088273 0.01713063
-9.19390423 7.68413417 -5.59619746
-0.00038664 0.00031463 0.00056304
-0.00473635 -0.00062492 -0.00090598
-8.69919816 -3.48210888 18.88152635
-0.00027113 0.00052967 0.00087427
-0.01234052 0.01329359 0.01594016
-7.69851625 -6.17530940 18.59811397
0.00005522 -0.00008195 0.00004166
-0.00436448 -0.01472695 0.00792283
-23.23482440 -3.26955483 -23.56327527
0.00030291 -0.00025079 0.00058662
-0.00647961 -0.01790463 0.02534105
-23.48819339 -4.32301634 -20.74423340
0.00097364 -0.00054217 -0.00034223
-0.00003133 0.00918814 0.00558085
6.87343382 13.24805218 4.27527774
-0.00047819 0.00003398 -0.00045631
-0.00668734 0.00406763 0.01276609
8.00126983 11.62539199 6.27035446
0.00011697 0.00025843 -0.00008888
0.02150610 -0.01820093 0.01743079
24.46313310 28.70891765 -1.99193301
0.00038322 0.00060205 -0.00041446
0.00425536 -0.00610134 -0.00481479
23.79866579 31.47423086 -1.64746097
-0.00028788 0.00045162 0.00032387
0.00095003 0.01137679 0.00942317
9.40038050 -2.45249375 -14.11091466
0.00053941 0.00030147 -0.00140685
-0.01000122 0.00617533 -0.00520255
7.35961106 -0.63143123 -12.64597225
0.00106373 0.00000725 0.00007966
0.00835671 -0.02352345 -0.03203168
-7.35140493 -0.43890827 16.02986964
-0.00035469 0.00042368 0.00013216
0.01251934 0.03214840 0.02687982
-8.16033045 -2.31224577 14.48136266
-0.00141253 -0.00038601 -0.00109505
-0.01322071 -0.03400125 -0.01809138
-2.56345237 -26.82211452 13.03194637
0.00036632 0.00048241 0.00016609
0.00357421 0.00542201 -0.02414181
-3.19505443 -26.01279282 9.99657867
0.00037183 0.00051042 -0.00046358
-0.01395452 -0.00093280 -0.00595030
-13.77986646 -3.01037352 -6.50220457
-0.00069597 0.00048904 0.00049861
-0.00538090 0.00957039 0.00449753
-15.02466312 -4.46534236 -8.76855673
-0.00004016 0.00000138 0.00025730
0.00469231 -0.00366453 0.00464176
-18.68303904 -11.69408613 -16.84314907
-0.00015117 0.00126055 0.00137904
-0.01034031 0.01620135 -0.00150155
-18.85409677 -13.91793703 -18.27640319
0.00018608 -0.00009993 -0.00000390
-0.01784109 0.01197084 -0.00827588
23.11249003 3.71078399 1.33607095
0.00077160 -0.00104176 0.00014527
-0.00158509 -0.02115470 -0.00232560
23.18830439 5.29876901 3.54756708
-0.00047554 0.00016336 0.00066927
-0.00829115 -0.00784816 0.01830448
16.38997625 -9.48475947 -13.27439298
-0.00109892 -0.00081859 0.00091305
0.00015027 0.00182779 -0.00664650
17.59536640 -9.34717206 -16.09569655
-0.00058463 -0.00086440 -0.00080952
-0.00373894 -0.00693844 0.02638104
-0.60957191 2.55773488 -7.80091685
-0.00010109 0.00008466 -0.00030457
0.01673998 -0.00546030 -0.01384601
-2.76999394 0.58462650 -8.31727317
0.00091662 -0.00150216 0.00079673
0.00445930 0.00356352 -0.00014599
-5.68444930 -2.98669714 -16.47118856
-0.00069986 -0.00059603 -0.00051810
-0.00149220 -0.00086649 -0.00501241
-3.00593942 -2.02339561 -16.73539228
-0.00041248 0.00031223 0.00024104
-0.00357960 0.00391550 -0.00173338
12.81803819 18.55789505 -21.26570214
-0.00031994 0.00052076 0.00035666
0.00944873 0.02007745 -0.00107823
11.78332315 16.22698285 -20.48908541
0.00010369 0.00022797 0.00066794
0.02295398 -0.00429912 0.00806527
-15.38227751 15.46986969 -13.22731301
-0.00080717 0.00009652 -0.00045270
0.04604660 -0.01408016 -0.04061517
-17.95302887 15.02615663 -12.56987121
-0.00007176 0.00006526 -0.00055521
-0.02012137 -0.01467853 0.00390455
2.54069071 15.10954819 6.43934304
0.00028929 0.00091078 0.00037599
-0.00073316 -0.01460434 -0.01108013
0.44384629 15.62463855 8.16318516
0.00179413 -0.00004356 -0.00059509
-0.02305448 0.01271921 0.01443942
-6.39979864 -8.35041217 1.35915661
-0.00111799 0.00045203 -0.00089583
0.02389948 -0.01075337 0.00848418
-3.43158075 -9.07556223 1.54872276
-0.00009311 -0.00071637 0.00072266
-0.00729812 -0.00336707 -0.00477807
2.64466938 -4.42913357 2.84226538
-0.00070910 0.00127259 -0.00024108
0.00360209 -0.03413432 -0.00034010
4.57578936 -5.97139796 1.37424824
-0.00049253 0.00020775 -0.00010952
-0.00451899 -0.01350819 0.00655926
9.40434989 5.86280151 4.23407572
-0.00108064 0.00027364 0.00034001
-0.00418143 0.00047210 -0.00330360
12.31048817 5.96609923 4.71075499
-0.00037284 0.00040681 -0.00008326
-0.00435670 -0.00161316 0.00402783
-7.69883281 -11.39860820 -2.01261149
0.00016130 -0.00029666 0.00063557
-0.00809524 0.03209498 -0.01817299
-9.92893593 -9.61422305 -1.33641570
0.00050063 -0.00034016 0.00047887
-0.00059509 0.00647428 -0.00416764
4.65170144 -16.90998636 -13.65367045
-0.00056863 0.00106678 -0.00189357
-0.01094085 0.01077136 -0.00108594
2.68274892 -16.66387343 -11.76021051
0.00069141 0.00092777 -0.00011670
-0.01977973 -0.02539343 0.05694684
5.99282293 -6.94733494 -6.08120011
-0.00004851 0.00015237 -0.00081063
-0.02125536 -0.02153911 0.01238873
4.89795373 -8.86639652 -4.05319006
-0.00032926 0.00053919 -0.00028520
0.00442640 -0.00093573 0.03169812
17.04549153 1.60516777 24.32695353
-0.00036418 0.00017471 0.00044373
-0.01606123 -0.01057384 -0.00465064
19.39082575 2.21023758 25.49865898
0.00014192 0.00064077 -0.00081396
0.01572237 -0.01152982 -0.00145444
-9.55720434 2.97109735 2.14226638
-0.00035935 0.00009786 -0.00004617
0.02174201 0.00418144 -0.01055832
-7.86249696 4.97525237 0.99608678
0.00001589 0.00007818 -0.00060135
0.01038414 -0.00038270 -0.00236740
-6.65589314 14.93637890 -9.47314643
0.00093101 -0.00052691 0.00063148
-0.02956018 -0.01739238 -0.02235756
-9.44455551 13.81673037 -9.63105862
-0.00064027 0.00005245 0.00074167
0.00817695 -0.00182552 -0.00315121
0.09702453 11.05555154 -8.12979988
-0.00034114 -0.00016993 -0.00049201
0.00485516 -0.00698872 -0.00596527
2.38743919 12.66384881 -7.82861768
0.00002902 0.00068233 0.00027714
0.00329340 -0.02607764 -0.02841942
-10.46051582 8.82022029 -13.74251422
0.00039870 -0.00023618 0.00032284
0.01651154 -0.01067466 0.00413113
-12.75207067 9.80812853 -12.07428346
0.00019191 -0.00011599 0.00118756
0.01085232 -0.00020021 -0.02332253
7.16819510 6.00834412 14.79464650
-0.00033544 0.00099601 0.00069193
0.00193365 0.00118008 0.01907838
7.53301620 4.22554490 12.87941055
-0.00099977 0.00067796 0.00009208
0.00366505 -0.02654829 -0.00191059
-14.09234486 10.70561435 -8.03521258
-0.00023175 0.00047929 -0.00017291
-0.00218360 -0.02298120 -0.03087037
-16.40105078 9.46408086 -9.46014747
-0.00066350 0.00079880 -0.00029735
-0.00998186 0.00433869 -0.00474703
8.94659642 9.82965986 -1.95226628
-0.00097483 0.00021398 -0.00004684
0.00562623 -0.01804478 -0.01394030
6.76323194 8.90837135 -3.30079316
0.00164007 -0.00060200 -0.00147288
-0.00281918 -0.01169305 -0.00933846
12.08065401 -20.52691256 -26.59013222
0.00024530 0.00013028 -0.00040269
-0.02299034 -0.00038348 -0.01258689
13.19721481 -19.71401164 -24.02256041
-0.00000733 0.00050215 0.00017696
0.01547225 -0.01022226 -0.01356339
5.76735438 4.70089933 2.73561009
-0.00120362 -0.00063909 -0.00077647
0.00076497 -0.01834209 0.01499070
6.46609744 6.64348115 0.89232231
-0.00084827 0.00046693 -0.00009955
0.00535529 0.00972284 0.01934009
20.43658909 -6.65806000 -5.42205917
0.00063659 -0.00000559 -0.00034988
0.02246894 -0.01796454 0.02020614
18.10322735 -4.93665544 -5.27572442
-0.00009405 -0.00093117 -0.00064164
-0.00216016 0.00022715 0.00177667
-3.29161598 0.17773061 -1.34564580
0.00122412 -0.00072887 0.00008499
0.02432815 0.00692598 -0.02092710
-1.97728656 0.77446869 -4.15890496
0.00036715 0.00084350 0.00015089
-0.01505360 -0.00400903 0.00530654
3.69723880 -3.38508190 -12.12107218
-0.00099087 0.00005490 0.00029431
-0.01839804 0.02964407 -0.01209182
0.83040286 -2.53696268 -11.55106738
-0.00065813 0.00036028 0.00107828
0.01945797 0.00502491 -0.02044742
20.51174273 8.27084367 -6.69741453
-0.00082574 -0.00076450 -0.00045497
-0.00473943 -0.01378396 -0.02081089
22.26453141 8.88301095 -4.51683823
-0.00035423 -0.00097237 -0.00015328
0.02533784 -0.01066462 0.00508614
-7.52295244 4.68910347 9.03528966
-0.00039378 -0.00007908 -0.00040345
0.00342692 -0.00325758 -0.00019670
-7.30705503 6.41949672 11.16553974
0.00011937 -0.00047418 -0.00064607
-0.00216875 0.00075171 0.05426162
-3.11196186 -16.34015850 12.01091401
0.00000758 0.00011242 -0.00046978
0.01105323 -0.01354436 -0.00274909
-4.36249894 -13.95003657 11.84633296
0.00003025 0.00066970 0.00002478
-0.00860168 0.01902171 -0.00201795
8.04523509 0.13572339 -3.25069640
0.00057360 -0.00000206 0.00051564
-0.00600671 -0.00136581 0.05336135
7.63871255 2.05668009 -5.54252262
-0.00000677 0.00032820 -0.00020692
-0.00847085 0.03089268 -0.00474939
0.97740794 -10.41198118 2.02664634
0.00067461 -0.00085508 -0.00084696
0.00396264 0.00040489 0.00110851
0.55182698 -8.33861140 -0.07194248
-0.00077094 0.00032003 -0.00014717
-0.00443277 -0.00831945 0.01215276
-19.82849087 -1.54505469 6.64879591
0.00000096 0.00046957 -0.00040564
-0.00621243 -0.00087338 -0.01836633
-20.68522493 0.14148108 4.28467053
-0.00006386 -0.00093673 0.00003425
-0.00505232 0.00229956 0.00233172
-3.63601043 7.80583086 -24.95335030
-0.00070805 0.00036408 0.00022868
-0.00360249 0.02080869 0.02710946
-4.45191838 8.76205041 -22.02172937
-0.00051253 0.00013881 -0.00110511
0.01516995 0.00722239 -0.01213772
3.33496390 0.89397939 -1.16520578
0.00132953 0.00011773 0.00081039
0.01485155 -0.02385790 0.00752769
0.91318286 2.00507586 -2.10248416
0.00036457 0.00063446 -0.00039842
-0.01197205 -0.01033738 0.00015312
16.29390650 7.71465863 6.29485828
-0.00009918 -0.00043823 -0.00000109
0.00288634 -0.00857681 0.02812058
15.86538842 9.26158678 4.11921685
0.00016320 0.00082990 -0.00065433
0.00148780 0.03276687 -0.02175302
-0.34219997 -11.82382773 -13.44925181
-0.00005437 0.00003646 0.00024276
0.00518710 -0.00500089 0.00196491
-13.92654191 14.56529394 22.07999054
-0.00002830 -0.00009342 0.00013750
0.00416179 -0.00089227 0.00091354
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02855216
0.33656440
448.45518671
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1360951866
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3983222466 (a.u.)
total exchange computation time: 2.8252279758 s
-154.1833056333
-931.36287003
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1360951866
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3975209825 (a.u.)
total exchange computation time: 2.8267059326 s
-154.1911140780
Anderson extrapolation: theta=1.4084862199 (1.4084862199)
-931.36311594
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1360951866
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3963096638 (a.u.)
total exchange computation time: 2.8246231079 s
-154.2028331912
Anderson extrapolation: theta=0.0722866116 (0.0722866116)
-931.36327573
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1360951866
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3961652113 (a.u.)
total exchange computation time: 2.8300499916 s
-154.2042420757
Anderson extrapolation: theta=2.1484672499 (2.0000000000)
-931.36328535
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1360951866
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3958752364 (a.u.)
total exchange computation time: 2.8291141987 s
-154.2070777068
Anderson extrapolation: theta=0.2977066857 (0.2977066857)
-931.36329800
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1360951866
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3958048731 (a.u.)
total exchange computation time: 2.8281650543 s
-154.2077850889
Anderson extrapolation: theta=1.2620788912 (1.2620788912)
-931.36330103
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1360951866
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3957465354 (a.u.)
total exchange computation time: 2.8298211098 s
-154.2084024631
Anderson extrapolation: theta=0.4014786026 (0.4014786026)
-931.36330383
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1360951866
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3957514253 (a.u.)
total exchange computation time: 2.8270850182 s
-154.2083925268
Anderson extrapolation: theta=1.0634765035 (1.0634765035)
-931.36330470
-208.998628 50.382574 -116.141956
-134.188474 459.356828 -798.310481
-343.187102 509.739402 -914.452436
1101.741759
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1360951866
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.3957758915 (a.u.)
total exchange computation time: 2.8272490501 s
679.21540138
-1084.73546517
89.84285248
-388.40468951
-174.88562857
78.84291149
551.60419304
0.00000000
-931.36330528
-10.82492864 -4.22366941 6.73128534
-0.00023369 -0.00003247 0.00000149
0.02374426 -0.01647702 0.03372246
-14.19134675 3.48382083 9.48277068
0.00007890 0.00004096 -0.00013123
0.01148111 -0.01135277 -0.00831946
-15.98050910 1.26769630 3.53426540
0.00009843 0.00022919 -0.00011535
0.00786455 0.01200751 -0.01936480
2.39467493 -19.79696616 12.83108296
0.00014602 -0.00009672 -0.00020345
-0.01480199 0.00688340 -0.01351642
9.53863498 20.43031723 0.83320386
0.00016615 -0.00006029 0.00046905
0.02668771 0.00386155 -0.01812372
-11.74710552 12.69612491 15.07761132
-0.00056549 -0.00040686 -0.00001199
-0.00736985 0.01786286 -0.00749221
-6.37282812 1.55607833 -12.11016649
0.00019006 -0.00029664 -0.00020319
0.00278120 0.00557681 -0.01311522
-7.40595167 7.81108784 -5.88872060
0.00012055 0.00003244 -0.00002798
-0.01458828 0.01746293 -0.02422807
-7.62061007 -4.50030858 17.90472407
-0.00007316 0.00036392 -0.00032721
0.00973356 -0.00475308 -0.01276696
-23.41007050 -4.82541009 -22.47356907
-0.00017477 -0.00041148 -0.00017242
0.00069639 0.01136630 -0.03806556
6.64508454 12.78192962 6.06678421
-0.00001953 0.00000113 0.00008910
-0.01449122 0.01327084 -0.03282422
24.65118057 30.33027880 -2.80516721
0.00013862 0.00007432 -0.00033768
0.00550014 0.00726985 0.01269680
7.90985896 -1.30968797 -14.33878238
0.00002999 0.00010819 -0.00036106
-0.00522637 0.01941778 0.03991712
-7.12116205 -0.88586564 14.31624839
-0.00022051 -0.00003159 0.00019251
0.00073653 -0.00281363 -0.00764156
-1.97615119 -26.21632731 11.31025564
0.00008348 -0.00013288 0.00012794
0.02008196 0.00102767 0.02169792
-14.27426177 -4.66280744 -7.09131009
0.00026809 0.00010845 0.00013172
-0.00086290 -0.00261617 -0.01184009
-20.01377224 -12.46543394 -17.89912639
-0.00014693 -0.00023348 0.00003067
0.04282443 -0.02169829 0.01952001
22.61891777 3.60551911 3.10561154
0.00021936 -0.00000789 -0.00024000
0.01118339 0.02798272 -0.00252526
17.80381122 -10.01534030 -14.34020023
0.00000732 -0.00032674 -0.00005785
-0.00507269 0.00744453 -0.01914165
-2.21150111 1.94726459 -7.22915036
0.00028829 -0.00013270 0.00038488
-0.02448637 -0.00320634 0.01158679
-4.07711885 -3.01680221 -15.63235863
-0.00012023 -0.00007393 0.00004718
-0.00512048 -0.00200018 0.00538599
13.42033237 17.17075236 -20.25828599
-0.00010552 0.00012651 0.00035198
-0.02987130 -0.01613883 -0.00706292
-16.53748595 16.03829301 -12.07490827
0.00066114 0.00009488 -0.00003499
-0.03598804 0.02780645 0.04801151
1.39277090 14.23324390 7.56836594
0.00054369 0.00030321 -0.00004884
0.02341550 -0.00147077 -0.01171195
-5.15407882 -9.58165537 2.04098944
-0.00011510 -0.00008469 0.00016774
-0.01917214 0.01411083 0.00049126
3.09858174 -6.26769294 2.46249981
-0.00002490 -0.00060086 0.00011780
0.00451521 0.05813883 0.00492080
10.84920176 4.82678671 4.67095955
0.00009935 0.00006953 -0.00038781
0.00746675 0.00212570 0.00004194
-8.54771345 -9.75464291 -2.55007010
0.00007841 0.00027395 -0.00049949
0.00855789 -0.03795768 0.02010362
3.09644433 -15.96712395 -13.27805339
0.00026615 -0.00024414 0.00026148
0.02467259 0.02377610 -0.06322556
4.86308062 -8.47242841 -5.76661752
0.00003911 0.00008527 0.00045432
0.00872506 0.02775500 -0.04663338
18.55048333 0.69819562 24.85929019
0.00012423 0.00030810 -0.00025313
-0.00655135 0.01927417 0.00536178
-8.05512128 3.15351971 0.99513137
-0.00053425 -0.00008002 0.00021779
-0.02801443 0.00395290 0.02349234
-7.94431201 14.20284354 -10.67112409
0.00032270 0.00000151 0.00022432
0.02137360 0.01739862 0.02780471
1.66909720 11.34778249 -9.05559574
0.00010257 0.00000151 0.00020714
-0.00227707 0.03279519 0.02992359
-11.88827876 9.90338115 -13.78762447
0.00020486 0.00037069 -0.00030802
-0.02660952 0.00631160 0.02342064
7.32545821 4.17702884 14.71778640
-0.00032696 0.00002731 0.00001868
-0.00703528 0.04494146 -0.02396895
-14.58873424 9.45807369 -9.44027813
0.00003910 -0.00032338 0.00041868
0.00003688 0.01281317 0.03304391
8.51245334 8.39566593 -3.09566156
-0.00006103 -0.00021860 -0.00011126
0.00505922 0.02709072 0.02873245
13.64176932 -20.36765643 -25.74071815
0.00020273 -0.00007277 0.00006318
0.00691306 0.00365736 0.01288158
6.33999127 6.43906217 2.74631590
0.00016645 0.00038288 -0.00013074
-0.01298373 -0.00245384 -0.03329304
19.26716747 -5.77928018 -6.40938115
-0.00027388 0.00010518 -0.00033133
-0.01661476 0.01071443 -0.01814652
-1.74365066 0.12238302 -2.42073062
-0.00011266 -0.00012134 -0.00022695
-0.00612091 -0.00450751 0.00284824
2.43902537 -1.92666274 -12.46516786
-0.00001666 0.00007979 0.00026035
-0.00548869 -0.03804280 0.03220745
20.67844271 9.30785774 -5.25077720
-0.00049452 0.00029596 0.00013242
-0.03444616 0.01221898 -0.00387521
-7.47764135 6.48387594 9.44108394
0.00008904 -0.00000089 0.00002536
-0.01376170 -0.00047861 -0.05141268
-2.69483761 -14.60589962 11.66741208
0.00008278 -0.00002859 -0.00037786
0.00257678 -0.00238954 0.00813042
8.15849570 0.45491441 -4.94947913
-0.00010643 0.00004038 -0.00013568
0.02167645 -0.05055254 -0.03243454
-0.00475577 -10.00612945 0.52955960
-0.00005341 -0.00011355 -0.00002863
-0.00508005 0.00424932 -0.02057528
-20.04102981 -1.50898057 4.73517133
-0.00020524 0.00035679 0.00014734
0.00466384 -0.00756330 0.01302445
-4.72852705 7.64782033 -23.43674050
0.00027255 -0.00001416 -0.00028660
-0.01545937 -0.02373032 -0.00931352
2.57834747 2.45057233 -1.49585633
-0.00011957 -0.00037729 0.00040681
0.00186969 0.03725379 -0.00515721
15.51293197 7.61936396 4.69318470
-0.00002012 -0.00039447 0.00007989
-0.00664794 -0.00895677 -0.02033449
-9.28468410 -5.03457866 7.43509679
-0.00027631 0.00088319 -0.00001839
-0.02445028 0.00907995 -0.01429988
-10.61194722 -3.90009090 4.96841779
0.00010418 0.00087924 -0.00018875
0.01136101 -0.00310800 -0.01316906
-13.05283171 4.84681440 9.08091096
0.00084518 -0.00027523 -0.00098260
0.00215362 0.00341142 -0.00390270
-13.39752362 1.97665863 8.65526490
0.00020744 -0.00024098 -0.00012689
-0.01057553 0.02170695 0.00703163
-14.67684041 1.00878954 4.74880152
-0.00104574 0.00137954 0.00013145
0.00654314 0.00119107 0.01678112
-17.20342558 -0.02270198 3.95096232
-0.00048286 -0.00080897 0.00046923
-0.01018291 -0.00783564 0.00361997
2.41852434 -21.20016940 11.63100486
0.00105419 0.00044554 0.00043871
0.00442354 -0.00093237 0.00326841
3.51540290 -20.19545422 14.16889427
0.00045129 -0.00001053 0.00132287
0.01575823 -0.00198082 0.00929359
8.76137669 18.78044812 0.64346519
-0.00045874 -0.00018176 0.00089862
-0.01448729 0.00554897 0.00772841
8.68005812 21.74660367 1.76676857
0.00015310 -0.00035936 0.00027857
-0.01893013 -0.01210872 0.00038918
-10.52930173 12.35543532 16.35848307
-0.00065896 -0.00063574 0.00007919
0.01355529 -0.00795264 0.01737918
-12.57367676 14.23603840 15.66478962
-0.00016777 0.00028757 0.00093846
0.00279187 -0.00179870 -0.00610843
-5.82673582 0.18243903 -13.16000807
0.00063864 0.00056230 0.00014329
0.00378939 -0.00194519 -0.00709278
-6.66445879 0.76882110 -10.48858558
-0.00003889 0.00063276 -0.00124758
-0.00691678 -0.00274739 0.01180123
-6.72593439 6.53788788 -4.85924710
-0.00012183 -0.00036848 -0.00017837
0.00875751 -0.02079565 0.01684150
-9.19984894 7.68883443 -5.58777955
-0.00039672 0.00031280 0.00055765
-0.00019647 -0.00026979 -0.00173572
-8.70364330 -3.47375654 18.89512889
-0.00031118 0.00057465 0.00092996
-0.00726172 0.00872553 0.01131679
-7.69782169 -6.17698997 18.59898158
0.00003778 -0.00013345 0.00007044
-0.00417224 -0.01048348 0.00616808
-23.23047933 -3.27386533 -23.55369944
0.00027659 -0.00032174 0.00068615
-0.00640553 -0.01682554 0.02338057
-23.47358970 -4.33086733 -20.74919578
0.00097324 -0.00050472 -0.00031483
-0.00016502 0.00914562 0.00783006
6.86605609 13.24868646 4.26882429
-0.00050573 0.00004876 -0.00039817
-0.00679672 0.00316765 0.01569380
8.00368335 11.62871075 6.26955533
0.00020543 0.00018382 -0.00001793
0.02179619 -0.01832379 0.01730402
24.46901183 28.71776139 -1.99829747
0.00039973 0.00056938 -0.00043009
0.00382412 -0.00988715 -0.00283730
23.79437669 31.48135382 -1.64231423
-0.00027840 0.00049058 0.00035386
0.00368969 0.00769230 0.00525815
9.40816512 -2.44778240 -14.13217681
0.00049763 0.00032674 -0.00142721
-0.01044743 0.00619276 -0.00476416
7.37582316 -0.63204329 -12.64575893
0.00109713 -0.00008909 -0.00005132
0.00799121 -0.02363713 -0.03208241
-7.35634158 -0.43156796 16.03267573
-0.00030469 0.00055072 0.00023884
0.01195439 0.03003698 0.02533902
-8.18192347 -2.31907788 14.46438253
-0.00145589 -0.00050858 -0.00116718
-0.00800768 -0.02599403 -0.01721549
-2.55784801 -26.81471224 13.03369789
0.00037832 0.00050323 0.00006987
0.00229917 0.00477077 -0.02295793
-3.18990465 -26.00516506 9.98944258
0.00031778 0.00050569 -0.00048341
-0.01250122 -0.00138441 -0.00375603
-13.79047085 -3.00274469 -6.49458760
-0.00071870 0.00052545 0.00051597
-0.00574937 0.00825576 0.00400282
-15.02512170 -4.46543389 -8.76455495
-0.00002071 -0.00001330 0.00027562
0.00482827 -0.00352455 0.00432363
-18.68562349 -11.67468145 -16.82250944
-0.00020456 0.00131612 0.00136076
-0.01579133 0.01100020 -0.00744585
-18.85185224 -13.91906911 -18.27671525
0.00011399 -0.00004839 -0.00003586
-0.01745099 0.01325890 -0.00737020
23.12401545 3.69450939 1.33817871
0.00076690 -0.00112516 0.00013296
-0.00071501 -0.01967085 -0.00370158
23.18091718 5.30097885 3.55816709
-0.00051000 0.00012858 0.00074035
-0.00857464 -0.00917291 0.01648888
16.37349701 -9.49698225 -13.26090088
-0.00108549 -0.00081500 0.00087522
0.00642569 -0.00007238 -0.01187251
17.58648235 -9.36035061 -16.10703094
-0.00059976 -0.00089413 -0.00069537
-0.00366607 -0.00761801 0.02949472
-0.61057532 2.55883746 -7.80590964
-0.00003215 0.00006266 -0.00036097
0.01700874 -0.00530841 -0.01376423
-2.75610793 0.56220329 -8.30532667
0.00093668 -0.00148079 0.00080155
0.00535635 0.00689991 0.00250301
-5.69499290 -2.99566419 -16.47911372
-0.00069465 -0.00059969 -0.00053279
0.00404254 -0.00092577 -0.00217542
-3.01223625 -2.01859224 -16.73182973
-0.00042664 0.00032903 0.00023280
-0.00335396 0.00430962 -0.00230034
12.81352869 18.56632171 -21.26038522
-0.00027974 0.00059760 0.00035549
0.01022904 0.01753576 0.00050353
11.78558188 16.23027068 -20.47881919
0.00019462 0.00020908 0.00070020
0.02155749 -0.00494630 0.00772921
-15.39297402 15.47088596 -13.23534803
-0.00060931 0.00003525 -0.00062778
0.05080801 -0.01591065 -0.04508911
-17.95472183 15.02668570 -12.57807976
-0.00014499 0.00001263 -0.00053466
-0.01572695 -0.01108357 0.00615626
2.54500759 15.12276239 6.44464336
0.00028913 0.00084980 0.00032793
0.00065482 -0.01524525 -0.01244405
0.47005175 15.62437493 8.15470130
0.00168722 0.00002307 -0.00052761
-0.02927542 0.01989357 0.01859042
-6.41583621 -8.34396131 1.34597911
-0.00100784 0.00039794 -0.00085472
0.03002214 -0.01572212 0.01164157
-3.43320111 -9.08641101 1.55941624
-0.00011935 -0.00072777 0.00070114
-0.00554502 -0.00221158 -0.00575389
2.63414328 -4.41109070 2.83863874
-0.00068982 0.00111528 -0.00024465
0.00583742 -0.04286866 -0.00140559
4.56826286 -5.96869563 1.37280648
-0.00050902 0.00015207 -0.00008401
-0.00355164 -0.01374842 0.00592720
9.38801221 5.86692064 4.23907457
-0.00108723 0.00026846 0.00032884
0.00095248 -0.00300804 -0.00216261
12.30476213 5.97215199 4.70962954
-0.00038876 0.00040167 -0.00006707
-0.00343847 -0.00090249 0.00389698
-7.69666138 -11.40207462 -2.00363483
0.00012620 -0.00015889 0.00055687
-0.00908809 0.03534492 -0.02034945
-9.92144478 -9.61912701 -1.32936043
0.00049979 -0.00031215 0.00045843
0.00018507 0.00723363 -0.00583718
4.64283667 -16.89365453 -13.68210729
-0.00060413 0.00110320 -0.00189680
-0.00643713 0.00705336 -0.00049224
2.69251393 -16.65073507 -11.76021591
0.00060960 0.00081600 0.00013105
-0.02026717 -0.02931466 0.06432792
5.99144397 -6.94570943 -6.09297999
-0.00013583 0.00006321 -0.00075748
-0.02148899 -0.02210243 0.01363204
4.89315043 -8.85833739 -4.05649667
-0.00031043 0.00053296 -0.00014062
0.00479152 -0.00211023 0.03907170
17.03953667 1.60746446 24.33346705
-0.00042793 0.00013014 0.00042505
-0.01514551 -0.01124603 -0.00449440
19.39343637 2.21949576 25.48640494
0.00020602 0.00059263 -0.00082028
0.01565465 -0.01203434 -0.00163866
-9.56192835 2.97269334 2.14125026
-0.00027367 0.00011574 -0.00008674
0.02019793 0.00457401 -0.00929894
-7.86194047 4.97641336 0.98699404
0.00005706 0.00007295 -0.00060994
0.00976991 -0.00218004 -0.00183946
-6.64283378 14.92794234 -9.46435928
0.00080687 -0.00059903 0.00053753
-0.03121034 -0.01791181 -0.02363084
-9.45390902 13.81746113 -9.62003015
-0.00059587 0.00004761 0.00072173
0.01355783 -0.00054116 -0.00660901
0.09205617 11.05278845 -8.13736285
-0.00031984 -0.00019777 -0.00051550
0.00557051 -0.00663778 -0.00553107
2.38797536 12.67328465 -7.82533145
0.00004014 0.00057206 0.00015945
0.00214949 -0.02789972 -0.02918914
-10.45402938 8.81635046 -13.73754505
0.00045897 -0.00027395 0.00033839
0.01298962 -0.00781084 0.00348309
-12.74885942 9.80638255 -12.05718473
0.00024040 -0.00011521 0.00107985
0.01288294 0.00058010 -0.02940474
7.16322275 6.02332047 14.80561012
-0.00032584 0.00098619 0.00076783
0.00276710 -0.00598571 0.01807469
7.51813199 4.23490072 12.88073327
-0.00098438 0.00056993 0.00008251
0.00386710 -0.02633180 -0.00277861
-14.09588807 10.71209945 -8.03875219
-0.00023978 0.00038537 -0.00029779
-0.00174784 -0.02299328 -0.03026078
-16.41130918 9.47619587 -9.46475319
-0.00069259 0.00081610 -0.00031697
-0.00425550 0.00412734 -0.00485532
8.93214634 9.83231664 -1.95339602
-0.00095106 0.00013882 -0.00010415
0.00601056 -0.01874834 -0.01411283
6.78774655 8.89898302 -3.32317253
0.00160452 -0.00064358 -0.00151474
-0.01457947 -0.00866186 -0.01115319
12.08362906 -20.52497013 -26.59655832
0.00015486 0.00012932 -0.00045194
-0.02128438 -0.00008712 -0.01152042
13.19757905 -19.70679269 -24.02032165
0.00005641 0.00045857 0.00011857
0.01572683 -0.01110672 -0.01502043
5.74932352 4.69075095 2.72442247
-0.00119308 -0.00069431 -0.00071446
0.00439440 -0.00869159 0.01536212
6.45353743 6.65078307 0.89142163
-0.00082521 0.00050734 -0.00002231
0.00593620 0.01005790 0.01847201
20.44682640 -6.65869431 -5.42668814
0.00071879 -0.00007162 -0.00027516
0.01777177 -0.01436035 0.01637064
18.10175041 -4.95061606 -5.28529451
-0.00011043 -0.00092424 -0.00062652
-0.00586031 0.00316662 0.00562400
-3.27250863 0.16700975 -1.34501219
0.00131199 -0.00069909 0.00000566
0.01868306 0.00765130 -0.01790709
-1.97224055 0.78699841 -4.15647895
0.00030424 0.00082692 0.00017248
-0.01574080 -0.00410748 0.00525920
3.68181194 -3.38335007 -12.11702803
-0.00106156 0.00017297 0.00024579
-0.01620620 0.02815547 -0.01166031
0.82112718 -2.53140452 -11.53551975
-0.00057364 0.00038238 0.00099091
0.02189841 0.00579123 -0.02232193
20.49921138 8.25895372 -6.70487679
-0.00084384 -0.00080857 -0.00052377
-0.00411896 -0.00778731 -0.01286473
22.25999444 8.86809853 -4.51898161
-0.00025528 -0.00101394 -0.00013400
0.02309771 -0.00968199 0.00435036
-7.52875407 4.68781744 9.02923186
-0.00037962 -0.00008926 -0.00040386
0.00350254 -0.00172428 -0.00000199
-7.30533100 6.41240711 11.15751147
0.00011206 -0.00047173 -0.00041218
-0.00140976 0.00044525 0.06022913
-3.11150945 -16.33888723 12.00378306
0.00005140 0.00005578 -0.00048085
0.01039580 -0.01418312 -0.00266711
-4.36230884 -13.93940820 11.84664276
0.00000093 0.00074403 0.00001613
-0.00574601 0.01736317 -0.00221329
8.05365507 0.13565061 -3.24132668
0.00055072 -0.00000444 0.00071877
-0.00519494 0.00020055 0.04607531
7.63835145 2.06254976 -5.54577190
-0.00003977 0.00045039 -0.00022459
-0.00768232 0.02891787 -0.00390387
0.98764857 -10.42479499 2.01397598
0.00069174 -0.00085279 -0.00084037
0.00442001 0.00071865 0.00211484
0.54012710 -8.33406581 -0.07377757
-0.00078893 0.00028332 -0.00009620
-0.00437484 -0.00965408 0.01279662
-19.82866677 -1.53803797 6.64214852
-0.00002398 0.00046550 -0.00047455
-0.00599938 -0.00111798 -0.01536598
-20.68633758 0.12750054 4.28525568
-0.00009137 -0.00091050 0.00003925
-0.00841419 0.01054237 0.00011585
-3.64674159 7.81192972 -24.94908943
-0.00071560 0.00044995 0.00032896
-0.00009107 0.02122599 0.02197870
-4.45914155 8.76435391 -22.03867796
-0.00044896 0.00017484 -0.00114616
0.01595172 0.01041248 -0.00795518
3.35536189 0.89501423 -1.15281931
0.00138484 0.00002554 0.00083853
0.01222519 -0.02126855 0.00624934
0.91828453 2.01427592 -2.10845571
0.00031616 0.00058842 -0.00039799
-0.01172605 -0.01219869 0.00005754
16.29250728 7.70782230 6.29570362
-0.00008658 -0.00047169 0.00011417
0.00328024 -0.00780090 0.02830251
15.86788199 9.27503935 4.10873533
0.00016471 0.00093838 -0.00073287
-0.00074852 0.02033321 -0.01669138
-0.34300155 -11.82329427 -13.44560507
-0.00005252 0.00003470 0.00024343
0.00512956 -0.00482442 0.00174723
-13.92695912 14.56389108 22.08205458
-0.00002733 -0.00009363 0.00013771
0.00416268 -0.00087987 0.00096967
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02738842
0.33591686
447.59236951
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1367441860
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3834949527 (a.u.)
total exchange computation time: 2.7913351059 s
-154.1187130249
-931.36116649
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1367441860
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3826850811 (a.u.)
total exchange computation time: 2.7949249744 s
-154.1257867564
Anderson extrapolation: theta=1.4287698250 (1.4287698250)
-931.36142050
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1367441860
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3813716717 (a.u.)
total exchange computation time: 2.7915568352 s
-154.1367989498
Anderson extrapolation: theta=0.0768588983 (0.0768588983)
-931.36158674
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1367441860
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3811586237 (a.u.)
total exchange computation time: 2.7939732075 s
-154.1383304940
Anderson extrapolation: theta=2.1671200460 (2.0000000000)
-931.36159660
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1367441860
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3807144400 (a.u.)
total exchange computation time: 2.7919669151 s
-154.1414090089
Anderson extrapolation: theta=0.2955851942 (0.2955851942)
-931.36160860
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1367441860
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3805921960 (a.u.)
total exchange computation time: 2.7938148975 s
-154.1421624237
Anderson extrapolation: theta=1.1659835136 (1.1659835136)
-931.36161118
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1367441860
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3804808628 (a.u.)
total exchange computation time: 2.7920348644 s
-154.1427551571
Anderson extrapolation: theta=0.4033374042 (0.4033374042)
-931.36161331
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1367441860
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3804662622 (a.u.)
total exchange computation time: 2.7900819778 s
-154.1427362548
Anderson extrapolation: theta=1.0316492264 (1.0316492264)
-931.36161406
-209.048872 50.447902 -116.130842
-134.208517 459.400957 -798.340757
-343.257389 509.848859 -914.471599
1101.830204
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1367441860
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3804728709 (a.u.)
total exchange computation time: 2.7284109592 s
678.98514564
-1084.23216009
89.85787223
-388.74695072
-174.84504883
78.56404090
551.60419304
0.00000000
-931.36161464
-10.82834234 -4.22422006 6.73143771
-0.00022205 -0.00004041 0.00001755
0.02149006 -0.01438472 0.02876001
-14.19011898 3.48439142 9.48077019
0.00008563 0.00003550 -0.00013594
0.01468185 -0.00989165 -0.01001941
-15.97900228 1.27118045 3.53246042
0.00009954 0.00023387 -0.00012598
-0.00356560 0.00618646 -0.02196965
2.39680806 -19.79839044 12.82797902
0.00014025 -0.00009266 -0.00020718
-0.00762535 0.00892180 -0.00099029
9.54123023 20.42942772 0.84016963
0.00017969 -0.00005934 0.00045940
0.02595191 -0.00015718 -0.01937082
-11.75561625 12.69009087 15.07740256
-0.00056962 -0.00039656 -0.00001522
-0.00871604 0.02220475 -0.00505038
-6.36996645 1.55165025 -12.11326496
0.00019143 -0.00029158 -0.00021129
0.00252024 0.01408331 -0.01835770
-7.40419966 7.81164180 -5.88923379
0.00011207 0.00004107 -0.00003999
-0.01840139 0.01610978 -0.02246065
-7.62166993 -4.49486813 17.89976670
-0.00006956 0.00036143 -0.00033203
0.00427388 -0.00490534 -0.00598409
-23.41268944 -4.83153839 -22.47630227
-0.00017445 -0.00040601 -0.00019184
0.00058442 0.00989782 -0.03742205
6.64473567 12.78199777 6.06799409
-0.00002690 0.00000798 0.00007168
-0.01416004 0.01336986 -0.03492239
24.65328114 30.33142170 -2.81018348
0.00014076 0.00007992 -0.00033066
0.00282165 0.01451142 0.01462066
7.91028870 -1.30799016 -14.34404426
0.00002749 0.00011811 -0.00034080
-0.00450300 0.01913814 0.03884522
-7.12446684 -0.88635040 14.31910651
-0.00022142 -0.00003452 0.00018883
-0.00427554 -0.00856939 -0.00666604
-1.97482147 -26.21831653 11.31225839
0.00009371 -0.00013195 0.00013796
0.01966526 0.00257882 0.01727806
-14.27024374 -4.66119078 -7.08938002
0.00026775 0.00010747 0.00012588
-0.00045818 -0.00121186 -0.01086889
-20.01581104 -12.46901977 -17.89859098
-0.00012385 -0.00024354 0.00004184
0.04695438 -0.01744060 0.02389126
22.62225134 3.60550865 3.10200177
0.00022493 0.00000645 -0.00024049
0.01045091 0.02780081 0.00061703
17.80390139 -10.02021264 -14.34114184
0.00000320 -0.00032233 -0.00006704
-0.01091922 0.00969316 -0.01658609
-2.20727122 1.94526166 -7.22333253
0.00027560 -0.00013513 0.00039008
-0.02485187 -0.00622797 0.00864616
-4.07894198 -3.01791887 -15.63163009
-0.00012422 -0.00007501 0.00004937
-0.01042513 -0.00221620 0.00312471
13.41863439 17.17258779 -20.25303349
-0.00012058 0.00011913 0.00034800
-0.02870163 -0.01256025 -0.00841709
-16.52770770 16.03982340 -12.07524796
0.00064087 0.00010836 -0.00001026
-0.04280988 0.02464501 0.04816578
1.40101656 14.23778642 7.56758820
0.00055676 0.00030090 -0.00005548
0.02740222 -0.00750417 -0.01413866
-5.15587932 -9.58287130 2.04350742
-0.00012676 -0.00007668 0.00016755
-0.02616784 0.01703357 -0.00121128
3.09822573 -6.27648160 2.46428586
-0.00002334 -0.00056903 0.00012077
0.00151390 0.06566306 0.00659312
10.85072079 4.82783785 4.66514262
0.00010161 0.00007126 -0.00038800
0.00134501 0.00459989 -0.00080472
-8.54650421 -9.75068003 -2.55748489
0.00008275 0.00025362 -0.00048827
0.00831641 -0.04111780 0.02352823
3.10053175 -15.97069433 -13.27437509
0.00027744 -0.00023029 0.00022783
0.01924277 0.03009546 -0.06763071
4.86370099 -8.47104232 -5.75998265
0.00004347 0.00009976 0.00042853
0.00820923 0.02861523 -0.05362638
18.55232148 0.70289146 24.85551388
0.00012062 0.00031822 -0.00025041
-0.00749720 0.02009018 0.00524550
-8.06324316 3.15233460 0.99848883
-0.00054794 -0.00007759 0.00022927
-0.02522177 0.00552804 0.02115941
-7.93938913 14.20293331 -10.66765203
0.00033268 0.00001014 0.00023959
0.01744411 0.01615485 0.03156314
1.67062701 11.34793166 -9.05237321
0.00010152 0.00001857 0.00022250
-0.00182357 0.03352740 0.02981723
-11.88530857 9.90896586 -13.79215444
0.00019172 0.00037289 -0.00029445
-0.02447339 0.00224206 0.02934040
7.32052662 4.17761183 14.71797408
-0.00033081 0.00005203 0.00000683
-0.00791927 0.05118950 -0.02211228
-14.58814765 9.45327238 -9.43387053
0.00003754 -0.00031685 0.00043534
-0.00608500 0.01260498 0.03177374
8.51155740 8.39249140 -3.09721970
-0.00005543 -0.00020539 -0.00009597
0.01673642 0.02427233 0.03073923
13.64483695 -20.36873385 -25.73972076
0.00020561 -0.00007079 0.00006970
0.00429415 0.00403195 0.01249064
6.34243788 6.44479590 2.74422632
0.00015875 0.00037914 -0.00014754
-0.01693235 -0.01207133 -0.03200949
19.26299518 -5.77766118 -6.41442106
-0.00028006 0.00010892 -0.00034050
-0.00740622 0.00383308 -0.01751209
-1.74536421 0.12054552 -2.42412384
-0.00011398 -0.00012384 -0.00022624
0.00099024 -0.00520638 -0.00011147
2.43875435 -1.92561267 -12.46113837
-0.00002069 0.00006064 0.00027706
-0.01021252 -0.03640248 0.03278121
20.67089205 9.31234431 -5.24880584
-0.00051149 0.00030045 0.00012870
-0.03154468 0.00525029 -0.01058158
-7.47635879 6.48386079 9.44126598
0.00008183 -0.00000146 -0.00000194
-0.01428399 -0.00176740 -0.05472423
-2.69358593 -14.60633769 11.66177549
0.00008344 -0.00002927 -0.00037358
-0.00001724 -0.00024978 0.00851592
8.15698288 0.45532505 -4.95163948
-0.00009576 0.00001463 -0.00015035
0.01980930 -0.04957792 -0.02461509
-0.00557656 -10.00781625 0.52905072
-0.00005615 -0.00011126 -0.00003948
-0.00556139 0.00464446 -0.02161184
-20.04409035 -1.50365797 4.73743172
-0.00020194 0.00035079 0.00015376
0.00813690 -0.01575063 0.01191683
-4.72449847 7.64751641 -23.44107536
0.00026343 -0.00002732 -0.00029087
-0.01998592 -0.02745589 -0.00731869
2.57656110 2.44505674 -1.48977400
-0.00011743 -0.00035851 0.00040465
0.00647700 0.03574795 -0.00326641
15.51260446 7.61341233 4.69430465
-0.00002295 -0.00039612 0.00006828
-0.00435594 0.00255782 -0.02483731
-9.28957801 -5.02105255 7.43438277
-0.00037062 0.00091710 -0.00007410
-0.02171627 0.00751591 -0.01296912
-10.61003634 -3.88699749 4.96518295
0.00014983 0.00086523 -0.00023554
0.01098146 -0.00375270 -0.00973342
-13.04008808 4.84279051 9.06605231
0.00084909 -0.00026566 -0.00099632
-0.00023868 0.00127234 -0.00280946
-13.39473603 1.97370910 8.65357700
0.00016247 -0.00015090 -0.00009695
-0.01143938 0.02238678 0.00762592
-14.69232603 1.02951909 4.75128743
-0.00100861 0.00138293 0.00020913
0.01163430 0.00047223 0.02124666
-17.21098048 -0.03507662 3.95811176
-0.00051223 -0.00082750 0.00047969
-0.00419631 -0.00123334 0.00149827
2.43447278 -21.19351486 11.63768559
0.00107222 0.00043272 0.00044440
0.00440255 -0.00534183 -0.00047879
3.52265519 -20.19567284 14.18902214
0.00050094 -0.00001344 0.00134309
0.00854475 0.00055600 0.00060489
8.75405162 18.77789175 0.65718138
-0.00051479 -0.00015517 0.00092993
-0.01295007 0.00746775 0.00759812
8.68177460 21.74084226 1.77095910
0.00007429 -0.00040444 0.00028298
-0.01965141 -0.00995800 0.00176693
-10.53877076 12.34565557 16.36020354
-0.00060415 -0.00066872 0.00014885
0.01327546 -0.00819507 0.01671589
-12.57610783 14.24029688 15.67867928
-0.00015268 0.00027243 0.00090957
0.00459692 -0.00561558 -0.00803245
-5.81704017 0.19081389 -13.15807600
0.00065750 0.00054547 0.00010793
0.00544480 -0.00629417 -0.01021644
-6.66525409 0.77822825 -10.50693769
-0.00006991 0.00061291 -0.00118187
-0.00826590 -0.00696867 0.02036353
-6.72749346 6.53172339 -4.86140660
-0.00008718 -0.00045143 -0.00011160
0.00820111 -0.01980773 0.01584427
-9.20580569 7.69351816 -5.57946801
-0.00038860 0.00031233 0.00054887
0.00416766 0.00003815 -0.00255928
-8.70853348 -3.46486945 18.90942501
-0.00033029 0.00060073 0.00096622
-0.00209231 0.00404191 0.00643705
-7.69738284 -6.17931304 18.60022721
0.00002112 -0.00016717 0.00009184
-0.00398187 -0.00601992 0.00430606
-23.22652683 -3.27920700 -23.54269071
0.00025083 -0.00038717 0.00077672
-0.00620401 -0.01520505 0.02095333
-23.45899613 -4.33815783 -20.75367828
0.00097237 -0.00046789 -0.00027930
-0.00026054 0.00888307 0.00956293
6.85826181 13.24951488 4.26333264
-0.00053342 0.00006004 -0.00032914
-0.00675390 0.00235323 0.01809530
8.00743269 11.63090652 6.26981671
0.00029329 0.00011022 0.00005211
0.02121292 -0.01770222 0.01697918
24.47512494 28.72599917 -2.00483582
0.00041445 0.00052149 -0.00043768
0.00338486 -0.01355952 -0.00087664
23.79031371 31.48894821 -1.63684523
-0.00025791 0.00051460 0.00036704
0.00634398 0.00406665 0.00119608
9.41530947 -2.44269153 -14.15373094
0.00045429 0.00035187 -0.00144569
-0.01076818 0.00610703 -0.00428035
7.39252500 -0.63410399 -12.64751181
0.00112847 -0.00018512 -0.00018066
0.00735161 -0.02336733 -0.03123003
-7.36054561 -0.42238680 16.03703475
-0.00025702 0.00066825 0.00033701
0.01138011 0.02749517 0.02271773
-8.20400724 -2.32750306 14.44634733
-0.00147708 -0.00059742 -0.00123505
-0.00236412 -0.01749759 -0.01600943
-2.55210274 -26.80701758 13.03404240
0.00038483 0.00052112 -0.00002055
0.00088501 0.00398559 -0.02130080
-3.18552102 -25.99762214 9.98207630
0.00027032 0.00049898 -0.00049355
-0.01073210 -0.00190204 -0.00120884
-13.80142760 -2.99460989 -6.48672532
-0.00074304 0.00055593 0.00053107
-0.00616128 0.00666384 0.00338566
-15.02528438 -4.46574143 -8.76028818
-0.00000091 -0.00002738 0.00029224
0.00486160 -0.00336616 0.00381162
-18.68917573 -11.65460261 -16.80232613
-0.00027856 0.00135092 0.00131914
-0.02043450 0.00603514 -0.01293105
-18.85067721 -13.91938860 -18.27747900
0.00004417 0.00000751 -0.00006428
-0.01672203 0.01410491 -0.00654012
23.13549704 3.67702924 1.34005962
0.00076579 -0.00120232 0.00011515
0.00017276 -0.01809794 -0.00501256
23.17300447 5.30262652 3.56977763
-0.00054532 0.00008878 0.00080384
-0.00871651 -0.01031059 0.01459144
16.35741158 -9.50920946 -13.24813641
-0.00104763 -0.00081856 0.00081711
0.01210563 -0.00166899 -0.01657289
17.57737362 -9.37399604 -16.11655771
-0.00061459 -0.00092608 -0.00057005
-0.00359119 -0.00801883 0.03185219
-0.61053633 2.55961471 -7.81174599
0.00003665 0.00004084 -0.00041648
0.01666700 -0.00537232 -0.01340541
-2.74189365 0.54020294 -8.29322677
0.00096004 -0.00144612 0.00081675
0.00608201 0.01007106 0.00494092
-5.70528875 -3.00468798 -16.48717220
-0.00066745 -0.00060351 -0.00053609
0.00926994 -0.00094265 0.00055742
-3.01873865 -2.01352476 -16.72840815
-0.00043997 0.00034735 0.00022239
-0.00316836 0.00466079 -0.00279818
12.80964609 18.57582307 -21.25503744
-0.00023638 0.00066347 0.00036106
0.01099483 0.01470709 0.00222262
11.78916179 16.23325536 -20.46807927
0.00027891 0.00018724 0.00073088
0.01970380 -0.00574814 0.00728560
-15.40055670 15.47092713 -13.24614638
-0.00039723 -0.00003140 -0.00081654
0.05300715 -0.01671525 -0.04731268
-17.95737864 15.02653550 -12.58591102
-0.00019962 -0.00002512 -0.00050488
-0.01101153 -0.00739563 0.00842009
2.54936460 15.13504226 6.44918103
0.00029460 0.00078647 0.00027438
0.00202336 -0.01575523 -0.01377221
0.49446303 15.62533050 8.14735679
0.00155641 0.00011748 -0.00044405
-0.03476027 0.02632318 0.02231274
-6.43003383 -8.33847400 1.33351507
-0.00087473 0.00032544 -0.00080161
0.03513690 -0.01976753 0.01435568
-3.43516130 -9.09739533 1.56975708
-0.00013822 -0.00073453 0.00067571
-0.00369214 -0.00109781 -0.00669568
2.62397493 -4.39567509 2.83492596
-0.00066212 0.00092568 -0.00025183
0.00772114 -0.04994304 -0.00210832
4.56051870 -5.96683589 1.37172797
-0.00052120 0.00009558 -0.00006136
-0.00241022 -0.01390200 0.00515855
9.37173290 5.87085542 4.24394089
-0.00107322 0.00024945 0.00032200
0.00590515 -0.00629958 -0.00118613
12.29882536 5.97814945 4.70874292
-0.00040076 0.00039957 -0.00005141
-0.00243695 -0.00012626 0.00376828
-7.69504692 -11.40337489 -1.99590530
0.00008789 -0.00000973 0.00046991
-0.00966146 0.03766914 -0.02221973
-9.91394230 -9.62358764 -1.32266289
0.00050200 -0.00028110 0.00043125
0.00089926 0.00796745 -0.00746697
4.63357739 -16.87689042 -13.71057430
-0.00062063 0.00112414 -0.00189800
-0.00163900 0.00319912 -0.00009640
2.70103685 -16.63939329 -11.75627889
0.00052785 0.00069125 0.00040229
-0.01974836 -0.03175297 0.06844443
5.98874802 -6.94543850 -6.10392442
-0.00022324 -0.00002715 -0.00069959
-0.02129657 -0.02213135 0.01470436
4.88864079 -8.85040758 -4.05740872
-0.00029023 0.00052269 0.00003086
0.00509597 -0.00291781 0.04487157
17.03265359 1.60907192 24.33970512
-0.00048734 0.00008282 0.00040726
-0.01393530 -0.01191590 -0.00421729
19.39700640 2.22801640 25.47405047
0.00026970 0.00054275 -0.00082735
0.01551753 -0.01238277 -0.00182184
-9.56541451 2.97456965 2.13966423
-0.00019540 0.00013507 -0.00012139
0.01811693 0.00488897 -0.00766391
-7.86078522 4.97744074 0.97778857
0.00009568 0.00006037 -0.00061631
0.00913689 -0.00397556 -0.00127949
-6.63168718 14.91840803 -9.45702038
0.00067755 -0.00067237 0.00043972
-0.03209117 -0.01798919 -0.02424791
-9.46243163 13.81815873 -9.60940673
-0.00053068 0.00004765 0.00068841
0.01835273 0.00056101 -0.00970349
0.08742919 11.04961856 -8.14526479
-0.00029594 -0.00022417 -0.00053695
0.00613329 -0.00628891 -0.00496926
2.38864326 12.68101062 -7.82383411
0.00004707 0.00045548 0.00003968
0.00124250 -0.02916650 -0.02943908
-10.44674686 8.81200193 -13.73236241
0.00050408 -0.00029937 0.00035116
0.00909387 -0.00463568 0.00276798
-12.74485862 9.80467212 -12.04188811
0.00029611 -0.00011128 0.00094932
0.01438812 0.00134456 -0.03448915
7.15841999 6.03792997 14.81768148
-0.00031295 0.00094831 0.00083924
0.00354273 -0.01256020 0.01688194
7.50348478 4.24264276 12.88188571
-0.00096822 0.00046310 0.00006952
0.00404429 -0.02596056 -0.00357857
-14.09953840 10.71717538 -8.04414637
-0.00024538 0.00029269 -0.00041889
-0.00099087 -0.02237151 -0.02901732
-16.42182838 9.48856384 -9.46965647
-0.00069847 0.00083261 -0.00033662
0.00137692 0.00395357 -0.00476391
8.91806462 9.83382440 -1.95539068
-0.00092565 0.00006175 -0.00016142
0.00642975 -0.01897892 -0.01392428
6.81136765 8.88906385 -3.34623544
0.00152041 -0.00067243 -0.00156465
-0.02659451 -0.00545984 -0.01327736
12.08529968 -20.52303304 -26.60369047
0.00007293 0.00012971 -0.00049584
-0.01881776 0.00027805 -0.00996721
13.19890712 -19.70025442 -24.01900343
0.00012079 0.00041176 0.00005518
0.01578961 -0.01180826 -0.01600705
5.73156197 4.68006990 2.71417634
-0.00116780 -0.00071133 -0.00065097
0.00798223 0.00036376 0.01571781
6.44134123 6.65870140 0.89165302
-0.00079981 0.00054905 0.00005039
0.00649350 0.01035690 0.01711540
20.45815289 -6.66020871 -5.43031382
0.00078035 -0.00012202 -0.00021705
0.01236176 -0.01030985 0.01207316
18.09991431 -4.96438261 -5.29451994
-0.00014191 -0.00090555 -0.00059570
-0.00954559 0.00598234 0.00945896
-3.25225627 0.15675780 -1.34547604
0.00137502 -0.00066646 -0.00005993
0.01216993 0.00832324 -0.01419807
-1.96815923 0.79927640 -4.15373062
0.00023856 0.00080991 0.00019305
-0.01641011 -0.00422064 0.00480994
3.66539187 -3.37989269 -12.11369848
-0.00112223 0.00028348 0.00019944
-0.01349205 0.02594008 -0.01102936
0.81319356 -2.52549143 -11.52134016
-0.00048027 0.00040716 0.00089661
0.02380694 0.00634136 -0.02383795
20.48642759 8.24658652 -6.71312748
-0.00085933 -0.00082814 -0.00056035
-0.00346653 -0.00179305 -0.00504398
22.25687303 8.85259274 -4.52085837
-0.00016720 -0.00105091 -0.00011849
0.02001722 -0.00841648 0.00324316
-7.53434105 4.68642575 9.02317394
-0.00036512 -0.00009325 -0.00040336
0.00359315 -0.00023131 0.00024760
-7.30369337 6.40534479 11.15317441
0.00010723 -0.00047050 -0.00015977
-0.00095005 0.00015905 0.06332540
-3.11041992 -16.33848520 11.99648866
0.00009247 -0.00000268 -0.00049168
0.00970922 -0.01443340 -0.00263475
-4.36247089 -13.92771570 11.84681692
-0.00001603 0.00081099 0.00000661
-0.00255988 0.01541247 -0.00244744
8.06175668 0.13559013 -3.22913317
0.00053119 0.00000012 0.00088865
-0.00436584 0.00203222 0.03708188
7.63751952 2.07019170 -5.54926043
-0.00006892 0.00056258 -0.00023823
-0.00658949 0.02600051 -0.00276966
0.99816008 -10.43756476 2.00143523
0.00071038 -0.00084917 -0.00083012
0.00470406 0.00105347 0.00290310
0.52815910 -8.33011188 -0.07482840
-0.00080642 0.00024184 -0.00004298
-0.00418683 -0.01064720 0.01325505
-19.82921035 -1.53108978 6.63455941
-0.00004792 0.00046047 -0.00053036
-0.00571573 -0.00134316 -0.01195443
-20.68796590 0.11416610 4.28584793
-0.00013277 -0.00085043 0.00003502
-0.01185265 0.01886200 -0.00218442
-3.65747833 7.81932943 -24.94348158
-0.00070806 0.00053752 0.00040675
0.00378132 0.02164096 0.01610038
-4.46538710 8.76729555 -22.05611410
-0.00038253 0.00022380 -0.00117015
0.01656332 0.01355277 -0.00378753
3.37650910 0.89474559 -1.14004985
0.00142807 -0.00005400 0.00086083
0.00893599 -0.01766835 0.00466409
0.92266756 2.02272836 -2.11442373
0.00026562 0.00053405 -0.00039869
-0.01301146 -0.01441491 -0.00040165
16.29130909 7.70050788 6.29828351
-0.00007329 -0.00050190 0.00022816
0.00322780 -0.00698495 0.02749487
15.87032969 9.28973807 4.09723085
0.00015731 0.00099646 -0.00079059
-0.00287506 0.00810125 -0.01156244
-0.34377560 -11.82278671 -13.44194895
-0.00005069 0.00003300 0.00024402
0.00508009 -0.00465909 0.00153897
-13.92736184 14.56248516 22.08412199
-0.00002637 -0.00009383 0.00013795
0.00413850 -0.00087809 0.00103024
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02764912
0.33396553
444.99232100
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1376527853
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3665754872 (a.u.)
total exchange computation time: 2.7247469425 s
-154.0556637281
-931.35832939
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1376527853
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3660142123 (a.u.)
total exchange computation time: 2.7253758907 s
-154.0613371689
Anderson extrapolation: theta=1.3576871749 (1.3576871749)
-931.35856931
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1376527853
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3651448340 (a.u.)
total exchange computation time: 2.7231190205 s
-154.0698922574
Anderson extrapolation: theta=0.0546206178 (0.0546206178)
-931.35871476
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1376527853
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3650143595 (a.u.)
total exchange computation time: 2.7236452103 s
-154.0710662904
Anderson extrapolation: theta=1.9580012507 (1.9580012507)
-931.35872075
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1376527853
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3647382368 (a.u.)
total exchange computation time: 2.7237911224 s
-154.0735041120
Anderson extrapolation: theta=0.2196890868 (0.2196890868)
-931.35872758
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1376527853
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.3646747923 (a.u.)
total exchange computation time: 2.7236998081 s
-154.0740301435
Anderson extrapolation: theta=1.8343092966 (1.8343092966)
-931.35872896
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1376527853
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3645809962 (a.u.)
total exchange computation time: 2.7227489948 s
-154.0747745317
Anderson extrapolation: theta=0.2809486990 (0.2809486990)
-931.35873078
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1376527853
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3645766561 (a.u.)
total exchange computation time: 2.7229928970 s
-154.0747736679
Anderson extrapolation: theta=1.3368451635 (1.3368451635)
-931.35873124
-209.097988 50.505296 -116.123564
-134.227150 459.441126 -798.369488
-343.325139 509.946422 -914.493053
1101.914265
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1376527853
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3645861217 (a.u.)
total exchange computation time: 2.7563908100 s
678.75022600
-1083.71821146
89.87331721
-389.09603831
-174.80343897
78.27885394
551.60419304
0.00000000
-931.35873165
-10.83159025 -4.22488169 6.73181195
-0.00021174 -0.00004715 0.00003087
0.01859705 -0.01183929 0.02301338
-14.18877795 3.48488570 9.47869240
0.00009394 0.00003091 -0.00014147
0.01765205 -0.00794763 -0.01145970
-15.97752297 1.27471234 3.53048596
0.00009504 0.00023559 -0.00013786
-0.01394220 0.00052181 -0.02422404
2.39888236 -19.79974590 12.82486745
0.00013803 -0.00008749 -0.00020455
-0.00101419 0.01118440 0.01123364
9.54402569 20.42853700 0.84698597
0.00019280 -0.00006042 0.00044915
0.02502891 -0.00404990 -0.02048996
-11.76419422 12.68422814 15.07715484
-0.00057421 -0.00038415 -0.00001705
-0.00912189 0.02604020 -0.00209289
-6.36708534 1.54733081 -12.11650505
0.00019267 -0.00028223 -0.00022208
0.00231396 0.02230996 -0.02362109
-7.40258961 7.81232003 -5.88992026
0.00010181 0.00004881 -0.00005093
-0.02147451 0.01397763 -0.02009289
-7.62269681 -4.48946554 17.89476317
-0.00006872 0.00035884 -0.00033334
-0.00102117 -0.00519730 0.00087321
-23.41530387 -4.83759033 -22.47932417
-0.00017421 -0.00040137 -0.00021065
0.00034521 0.00812480 -0.03574769
6.64427757 12.78216907 6.06893455
-0.00003391 0.00001468 0.00005337
-0.01311130 0.01268061 -0.03627265
24.65540349 30.33267654 -2.81508697
0.00014156 0.00008914 -0.00032268
0.00027569 0.02130415 0.01640110
7.91068371 -1.30614471 -14.34900646
0.00002539 0.00012781 -0.00032134
-0.00365386 0.01857172 0.03684566
-7.12780462 -0.88690126 14.32191320
-0.00022494 -0.00004033 0.00018580
-0.00941634 -0.01401074 -0.00511064
-1.97334003 -26.22028585 11.31439443
0.00010368 -0.00013019 0.00014552
0.01911415 0.00428064 0.01212796
-14.26622925 -4.65958346 -7.08753380
0.00026765 0.00010726 0.00012061
0.00008644 0.00042568 -0.00961480
-20.01748761 -12.47274014 -17.89787126
-0.00009894 -0.00025137 0.00005513
0.04990736 -0.01302721 0.02779522
22.62566554 3.60571267 3.09839676
0.00023007 0.00002062 -0.00023939
0.00955743 0.02728223 0.00366932
17.80390732 -10.02501020 -14.34221140
-0.00000374 -0.00031691 -0.00007486
-0.01606919 0.01139325 -0.01384652
-2.20323306 1.94321069 -7.21744800
0.00026292 -0.00013900 0.00039377
-0.02446139 -0.00882113 0.00570479
-4.08084554 -3.01905263 -15.63087744
-0.00013081 -0.00007620 0.00005042
-0.01520829 -0.00241008 0.00096337
13.41671498 17.17432633 -20.24784592
-0.00013492 0.00011368 0.00034334
-0.02705714 -0.00863906 -0.00973130
-16.51825971 16.04154392 -12.07521606
0.00061777 0.00011996 0.00001392
-0.04705403 0.02043791 0.04586077
1.40947362 14.24227104 7.56670140
0.00057163 0.00029578 -0.00006322
0.03042693 -0.01242296 -0.01595160
-5.15788170 -9.58395583 2.04601605
-0.00014177 -0.00006738 0.00016659
-0.03220465 0.01913437 -0.00253272
3.09788140 -6.28476370 2.46612278
-0.00002329 -0.00053373 0.00012453
-0.00130824 0.07160143 0.00805086
10.85225019 4.82892448 4.65931948
0.00010080 0.00007418 -0.00038858
-0.00450571 0.00677562 -0.00145933
-8.54523082 -9.74703436 -2.56471817
0.00008689 0.00023189 -0.00047539
0.00775959 -0.04336679 0.02656467
3.10476762 -15.97403253 -13.27121854
0.00028563 -0.00021359 0.00019292
0.01258302 0.03483790 -0.06812973
4.86438470 -8.46943548 -5.75376148
0.00004747 0.00011443 0.00039972
0.00736401 0.02842352 -0.05840796
18.55410179 0.70774230 24.85177802
0.00011647 0.00032872 -0.00024777
-0.00863318 0.02073054 0.00501367
-8.07155962 3.15119213 1.00200953
-0.00056006 -0.00007434 0.00023945
-0.02188319 0.00708932 0.01841769
-7.93433168 14.20314771 -10.66393647
0.00034061 0.00001807 0.00025652
0.01340042 0.01468020 0.03428525
1.67214276 11.34833949 -9.04892065
0.00010068 0.00003585 0.00023765
-0.00145692 0.03367955 0.02908963
-11.88252719 9.91456787 -13.79645805
0.00017985 0.00037296 -0.00027807
-0.02166554 -0.00195529 0.03435409
7.31553394 4.17858973 14.71799117
-0.00033509 0.00007973 -0.00000404
-0.00872019 0.05654744 -0.02015163
-14.58760799 9.44856830 -9.42721780
0.00003279 -0.00031056 0.00045118
-0.01237694 0.01183513 0.02981766
8.51079058 8.38950412 -3.09854070
-0.00004391 -0.00019376 -0.00007968
0.02802947 0.02097996 0.03261728
13.64793770 -20.36978015 -25.73862701
0.00020704 -0.00006869 0.00007580
0.00123836 0.00415008 0.01120691
6.34475385 6.45043650 2.74188979
0.00014908 0.00037069 -0.00016354
-0.02067232 -0.02080783 -0.03023023
19.25876574 -5.77601260 -6.41959607
-0.00028145 0.00010913 -0.00034924
0.00200012 -0.00302315 -0.01647200
-1.74707012 0.11866784 -2.42751793
-0.00011157 -0.00012667 -0.00022725
0.00837705 -0.00579211 -0.00380813
2.43840454 -1.92484343 -12.45685599
-0.00002716 0.00004258 0.00029395
-0.01494439 -0.03382491 0.03287255
20.66309804 9.31687138 -5.24691611
-0.00052679 0.00030136 0.00012173
-0.02794409 -0.00173852 -0.01655110
-7.47518643 6.48383201 9.44102583
0.00007443 -0.00000269 -0.00003013
-0.01450495 -0.00301799 -0.05492601
-2.69233439 -14.60677768 11.65620460
0.00008272 -0.00002889 -0.00036908
-0.00277187 0.00171370 0.00898339
8.15562289 0.45535322 -4.95398973
-0.00008610 -0.00001045 -0.00016080
0.01775939 -0.04792632 -0.01601339
-0.00644025 -10.00946721 0.52837511
-0.00005911 -0.00010887 -0.00005075
-0.00596843 0.00465130 -0.02221745
-20.04708811 -1.49845688 4.73978404
-0.00019690 0.00034067 0.00015949
0.01148229 -0.02360453 0.01039477
-4.72062408 7.64700067 -23.44546668
0.00025197 -0.00004237 -0.00029392
-0.02460047 -0.03105176 -0.00454372
2.57482471 2.43981694 -1.48371687
-0.00011288 -0.00034075 0.00040350
0.01121483 0.03331982 -0.00121669
15.51224335 7.60748043 4.69523298
-0.00002455 -0.00039204 0.00005463
-0.00183689 0.01330657 -0.02824276
-9.29580283 -5.00706581 7.43287393
-0.00045222 0.00094392 -0.00012357
-0.01822622 0.00561435 -0.01124678
-10.60745245 -3.87413407 4.96135158
0.00019370 0.00084833 -0.00026754
0.01049554 -0.00451716 -0.00593126
-13.02735907 4.83884459 9.05102149
0.00084315 -0.00026478 -0.00100548
-0.00267023 -0.00084034 -0.00167667
-13.39264952 1.97213157 8.65235646
0.00011454 -0.00005911 -0.00006511
-0.01202216 0.02254607 0.00795900
-14.70709863 1.05027758 4.75507546
-0.00095202 0.00138377 0.00030414
0.01606682 -0.00006174 0.02526079
-17.21879255 -0.04752685 3.96535303
-0.00051795 -0.00081978 0.00048168
0.00139931 0.00500788 -0.00052361
2.45069103 -21.18718769 11.64433698
0.00109032 0.00040178 0.00043468
0.00445778 -0.00980769 -0.00428055
3.53043115 -20.19585739 14.20918707
0.00052202 -0.00000634 0.00132853
0.00177165 0.00291736 -0.00773550
8.74593289 18.77579305 0.67136322
-0.00056437 -0.00012092 0.00096055
-0.01131952 0.00929645 0.00738881
8.68228673 21.73447056 1.77525792
-0.00000724 -0.00044076 0.00029288
-0.02025522 -0.00782087 0.00307849
-10.54742619 12.33537357 16.36294847
-0.00055164 -0.00070216 0.00021458
0.01242719 -0.00817364 0.01546013
-12.57825716 14.24421121 15.69207665
-0.00013074 0.00024238 0.00087306
0.00614206 -0.00909498 -0.00983812
-5.80701083 0.19880301 -13.15677005
0.00068307 0.00051128 0.00006022
0.00707000 -0.01044002 -0.01314008
-6.66655598 0.78720832 -10.52404180
-0.00010650 0.00057595 -0.00108151
-0.00964462 -0.01112433 0.02876397
-6.72854991 6.52434495 -4.86259507
-0.00005570 -0.00052863 -0.00005021
0.00721293 -0.01798267 0.01420417
-9.21150703 7.69820423 -5.57131333
-0.00036330 0.00031301 0.00053680
0.00821724 0.00029596 -0.00335155
-8.71355188 -3.45573464 18.92411562
-0.00032855 0.00060790 0.00098247
0.00294230 -0.00053005 0.00151766
-7.69718802 -6.18200505 18.60173674
0.00000524 -0.00018256 0.00010555
-0.00379456 -0.00151289 0.00240413
-23.22295455 -3.28548053 -23.53039782
0.00022607 -0.00044484 0.00085644
-0.00591647 -0.01302220 0.01807064
-23.44441852 -4.34490392 -20.75757470
0.00097115 -0.00043260 -0.00023792
-0.00033847 0.00839152 0.01069044
6.85005362 13.25048752 4.25894999
-0.00056062 0.00006819 -0.00025145
-0.00656454 0.00163949 0.01993560
8.01248208 11.63201738 6.27111867
0.00037707 0.00004060 0.00012044
0.01979528 -0.01637916 0.01646949
24.48144548 28.73340594 -2.01142790
0.00042745 0.00045923 -0.00043748
0.00297762 -0.01691678 0.00097412
23.78663952 31.49679183 -1.63130293
-0.00022693 0.00052419 0.00036410
0.00882113 0.00062776 -0.00263849
9.42179387 -2.43722638 -14.17554740
0.00040989 0.00037644 -0.00146211
-0.01096505 0.00592297 -0.00376069
7.40967739 -0.63759677 -12.65117866
0.00115670 -0.00027928 -0.00030467
0.00646554 -0.02272684 -0.02947462
-7.36405218 -0.41152057 16.04278605
-0.00021169 0.00077467 0.00042264
0.01081076 0.02459848 0.01919888
-8.22623590 -2.33700061 14.42733097
-0.00147496 -0.00065143 -0.00129732
0.00340433 -0.00894053 -0.01447211
-2.54630324 -26.79907866 13.03308147
0.00038530 0.00053555 -0.00010326
-0.00065394 0.00308052 -0.01918893
-3.18179512 -25.99019580 9.97463594
0.00023051 0.00049004 -0.00049279
-0.00875545 -0.00247307 0.00158452
-13.81276195 -2.98606669 -6.47865554
-0.00076908 0.00057946 0.00054343
-0.00658786 0.00485043 0.00266475
-15.02514911 -4.46625526 -8.75578782
0.00001882 -0.00004078 0.00030642
0.00479927 -0.00319359 0.00313082
-18.69398033 -11.63415390 -16.78293533
-0.00036983 0.00136608 0.00125622
-0.02424006 0.00138637 -0.01786632
-18.85052701 -13.91884366 -18.27864357
-0.00002197 0.00006594 -0.00008948
-0.01565840 0.01449412 -0.00579509
23.14698922 3.65843994 1.34163332
0.00076832 -0.00127288 0.00009239
0.00106328 -0.01644556 -0.00612961
23.16455755 5.30364229 3.58228243
-0.00058092 0.00004480 0.00085951
-0.00870954 -0.01121716 0.01265509
16.34206806 -9.52153896 -13.23638763
-0.00098795 -0.00082800 0.00074100
0.01710687 -0.00295305 -0.02068258
17.56804480 -9.38813291 -16.12413237
-0.00062912 -0.00095912 -0.00043663
-0.00352364 -0.00815704 0.03345776
-0.60947588 2.56006271 -7.81840391
0.00010280 0.00001831 -0.00046995
0.01571440 -0.00565939 -0.01277057
-2.72730662 0.51881981 -8.28082406
0.00098597 -0.00139902 0.00084137
0.00660749 0.01298032 0.00710963
-5.71501648 -3.01376955 -16.49519651
-0.00061985 -0.00060733 -0.00052862
0.01403324 -0.00092446 0.00310212
-3.02543521 -2.00817164 -16.72515807
-0.00045264 0.00036699 0.00021011
-0.00303556 0.00495088 -0.00321090
12.80643731 18.58622578 -21.24955344
-0.00019000 0.00071741 0.00037377
0.01170696 0.01169721 0.00400000
11.79394926 16.23588776 -20.45689285
0.00035476 0.00016182 0.00075954
0.01742605 -0.00669430 0.00674235
-15.40489077 15.46994388 -13.25984435
-0.00018160 -0.00009901 -0.00100924
0.05254267 -0.01638053 -0.04701457
-17.96071031 15.02593205 -12.59322625
-0.00023476 -0.00004792 -0.00046601
-0.00619168 -0.00376504 0.01061068
2.55384561 15.14635655 6.45287466
0.00030554 0.00072133 0.00021554
0.00333311 -0.01613321 -0.01503041
0.51674399 15.62789933 8.14137973
0.00140532 0.00023564 -0.00034660
-0.03919860 0.03151818 0.02539326
-6.44207805 -8.33419816 1.32193084
-0.00072273 0.00023821 -0.00073833
0.03926655 -0.02293037 0.01661850
-3.43734777 -9.10844693 1.57968757
-0.00014947 -0.00073688 0.00064654
-0.00181530 -0.00005008 -0.00758133
2.61427978 -4.38332029 2.83108396
-0.00062738 0.00071021 -0.00026128
0.00928087 -0.05553277 -0.00251925
4.55262682 -5.96582816 1.37096562
-0.00052841 0.00003863 -0.00004211
-0.00111875 -0.01397872 0.00426683
9.35581550 5.87440412 4.24873451
-0.00103962 0.00021756 0.00031876
0.01054200 -0.00931006 -0.00039790
12.29273924 5.98413917 4.70808724
-0.00040858 0.00040071 -0.00003627
-0.00138828 0.00068528 0.00364256
-7.69402458 -11.40236656 -1.98953754
0.00004805 0.00014712 0.00037595
-0.00984092 0.03911257 -0.02377283
-9.90638470 -9.62755998 -1.31642298
0.00050693 -0.00024709 0.00039758
0.00151103 0.00867897 -0.00901514
4.62421767 -16.85993024 -13.73904722
-0.00061724 0.00112928 -0.00189794
0.00329906 -0.00068377 0.00012331
2.70834946 -16.62999753 -11.74814718
0.00045043 0.00055980 0.00068271
-0.01815191 -0.03259331 0.06882443
5.98474690 -6.94652391 -6.11396768
-0.00030902 -0.00011655 -0.00063767
-0.02069729 -0.02162907 0.01560468
4.88444345 -8.84265660 -4.05557076
-0.00026890 0.00051011 0.00022191
0.00534544 -0.00324162 0.04864821
17.02491647 1.60994910 24.34568472
-0.00054129 0.00003281 0.00039078
-0.01247159 -0.01256461 -0.00384889
19.40152744 2.23577815 25.46158435
0.00033267 0.00049173 -0.00083517
0.01530426 -0.01258821 -0.00200578
-9.56779036 2.97674558 2.13760852
-0.00012667 0.00015554 -0.00014864
0.01552862 0.00513018 -0.00567540
-7.85907000 4.97822447 0.96850469
0.00013170 0.00004057 -0.00062034
0.00849455 -0.00571897 -0.00069384
-6.62250733 14.90777123 -9.45116754
0.00054617 -0.00074518 0.00034071
-0.03221846 -0.01765260 -0.02421890
-9.46982947 13.81889070 -9.59937800
-0.00044722 0.00005183 0.00064329
0.02250233 0.00148217 -0.01238285
0.08317810 11.04606324 -8.15347128
-0.00027004 -0.00024915 -0.00055586
0.00654116 -0.00593548 -0.00429067
2.38938731 12.68694909 -7.82414098
0.00005072 0.00033492 -0.00008005
0.00054848 -0.02984781 -0.02917210
-10.43890701 8.80736929 -13.72701014
0.00053292 -0.00031150 0.00036089
0.00502248 -0.00130005 0.00199118
-12.73997603 9.80304409 -12.02870519
0.00035698 -0.00010431 0.00079997
0.01540726 0.00206937 -0.03861922
7.15383434 6.05176970 14.83078746
-0.00029703 0.00088502 0.00090544
0.00424894 -0.01841899 0.01552220
7.48908543 4.24879378 12.88281883
-0.00095137 0.00035807 0.00005343
0.00420102 -0.02545134 -0.00429724
-14.10324946 10.72088025 -8.05131891
-0.00024805 0.00020325 -0.00053400
-0.00031425 -0.02141081 -0.02733164
-16.43226320 9.50117410 -9.47485171
-0.00068145 0.00084786 -0.00035594
0.00695494 0.00351491 -0.00469292
8.90437696 9.83416901 -1.95823871
-0.00089849 -0.00001527 -0.00021720
0.00686485 -0.01872230 -0.01338042
6.83335887 8.87881005 -3.37011208
0.00138799 -0.00068823 -0.00162370
-0.03822494 -0.00227091 -0.01562949
12.08581703 -20.52107891 -26.61143347
0.00000236 0.00013168 -0.00053254
-0.01572973 0.00068883 -0.00799982
13.20120288 -19.69443983 -24.01866622
0.00018506 0.00036246 -0.00001128
0.01567001 -0.01232502 -0.01652718
5.71428962 4.66941113 2.70489349
-0.00112818 -0.00069307 -0.00058610
0.01140950 0.00857296 0.01603630
6.42954299 6.66725447 0.89293335
-0.00077220 0.00059191 0.00011662
0.00702176 0.01062710 0.01530600
20.47023697 -6.66235496 -5.43319958
0.00081901 -0.00015545 -0.00017688
0.00656187 -0.00605294 0.00758915
18.09749320 -4.97778252 -5.30316566
-0.00018805 -0.00087582 -0.00054956
-0.01304407 0.00856966 0.01312694
-3.23125805 0.14701596 -1.34681003
0.00141008 -0.00063114 -0.00010896
0.00499087 0.00896382 -0.00980561
-1.96508362 0.81129572 -4.15068751
0.00017032 0.00079246 0.00021173
-0.01699807 -0.00432010 0.00433670
3.64814492 -3.37484555 -12.11104489
-0.00117072 0.00038339 0.00015607
-0.01024279 0.02296681 -0.01019847
0.80671898 -2.51918971 -11.50862150
-0.00038013 0.00043380 0.00079683
0.02521413 0.00669749 -0.02500310
20.47343135 8.23410942 -6.72168730
-0.00087220 -0.00082371 -0.00056589
-0.00283238 0.00396286 0.00233073
22.25497841 8.83657114 -4.52253637
-0.00009308 -0.00108216 -0.00010808
0.01626643 -0.00687770 0.00185381
-7.53970782 4.68501987 9.01713119
-0.00035023 -0.00009135 -0.00040174
0.00369725 0.00116353 0.00054169
-7.30211396 6.39829222 11.15271832
0.00010361 -0.00047029 0.00009888
-0.00082570 -0.00005761 0.06328842
-3.10873535 -16.33896773 11.98903277
0.00013071 -0.00006135 -0.00050248
0.00900829 -0.01428597 -0.00265517
-4.36278983 -13.91507863 11.84684108
-0.00001962 0.00086951 -0.00000392
0.00080197 0.01323429 -0.00270842
8.06959071 0.13565419 -3.21466705
0.00051497 0.00001241 0.00101965
-0.00357349 0.00398176 0.02704195
7.63628375 2.07942711 -5.55291870
-0.00009310 0.00066124 -0.00024679
-0.00524564 0.02229633 -0.00142076
1.00895989 -10.45026996 1.98907240
0.00072976 -0.00084409 -0.00081714
0.00478493 0.00142881 0.00344905
0.51593450 -8.32681048 -0.07506688
-0.00082289 0.00019707 0.00001172
-0.00387361 -0.01127228 0.01352137
-19.83010423 -1.52422390 6.62623765
-0.00007056 0.00045457 -0.00057149
-0.00536992 -0.00154267 -0.00817631
-20.69032063 0.10198764 4.28630630
-0.00018805 -0.00075703 0.00002148
-0.01520987 0.02685997 -0.00444624
-3.66798333 7.82805544 -24.93688699
-0.00068415 0.00062682 0.00045925
0.00792293 0.02207242 0.00959808
-4.47061755 8.77106779 -22.07378235
-0.00031401 0.00028524 -0.00117746
0.01698067 0.01652287 0.00020624
3.39820397 0.89339413 -1.12699455
0.00145703 -0.00011738 0.00087625
0.00524260 -0.01335694 0.00288778
0.92625317 2.03029737 -2.12041638
0.00021102 0.00047111 -0.00040092
-0.01371746 -0.01639189 -0.00068997
16.29030873 7.69276538 6.30254847
-0.00006109 -0.00052873 0.00033691
0.00274018 -0.00615179 0.02573768
15.87260119 9.30493328 4.08501776
0.00014165 0.00100609 -0.00082766
-0.00479094 -0.00338860 -0.00658694
-0.34452237 -11.82230416 -13.43828456
-0.00004888 0.00003136 0.00024453
0.00503487 -0.00450474 0.00133948
-13.92775015 14.56107618 22.08619299
-0.00002541 -0.00009403 0.00013819
0.00409096 -0.00087630 0.00108227
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02766707
0.33106458
441.12695665
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1376527853
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3502921602 (a.u.)
total exchange computation time: 2.7578909397 s
-153.9906793386
-931.35495744
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1376527853
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3498522827 (a.u.)
total exchange computation time: 2.7573969364 s
-153.9953200685
Anderson extrapolation: theta=1.3491450605 (1.3491450605)
-931.35520205
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1376527853
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3491510874 (a.u.)
total exchange computation time: 2.7574970722 s
-154.0023997745
Anderson extrapolation: theta=0.0510233351 (0.0510233351)
-931.35534802
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1376527853
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3490304712 (a.u.)
total exchange computation time: 2.7588300705 s
-154.0034536985
Anderson extrapolation: theta=1.8702806429 (1.8702806429)
-931.35535330
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1376527853
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3487798067 (a.u.)
total exchange computation time: 2.7607138157 s
-154.0055900009
Anderson extrapolation: theta=0.2101576816 (0.2101576816)
-931.35535866
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1376527853
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3487203351 (a.u.)
total exchange computation time: 2.7592859268 s
-154.0060585687
Anderson extrapolation: theta=1.8794511695 (1.8794511695)
-931.35535964
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1376527853
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3486294987 (a.u.)
total exchange computation time: 2.7598419189 s
-154.0067400378
Anderson extrapolation: theta=0.2857427851 (0.2857427851)
-931.35536089
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1376527853
ExchangeOperator: bisection time: 1.246 s
total exchange = -52.3486250765 (a.u.)
total exchange computation time: 2.7612628937 s
-154.0067379782
Anderson extrapolation: theta=1.3260697709 (1.3260697709)
-931.35536120
-209.143653 50.554756 -160.496522
-134.243856 459.477364 -798.396819
-343.387509 510.032120 -958.893341
1139.089191
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1376527853
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3486354863 (a.u.)
total exchange computation time: 2.7594752312 s
678.51614499
-1083.20487009
89.88819444
-389.44449495
-174.76170037
77.99383982
551.60419304
0.00000000
-931.35536147
-10.83469469 -4.22563466 6.73236374
-0.00020309 -0.00005249 0.00004108
0.01507633 -0.00889940 0.01668462
-14.18730074 3.48531867 9.47652619
0.00010370 0.00002743 -0.00014766
0.02030605 -0.00558499 -0.01261326
-15.97615122 1.27824825 3.52832461
0.00008557 0.00023448 -0.00015075
-0.02285677 -0.00483836 -0.02590690
2.40094884 -19.80101507 12.82184254
0.00013901 -0.00008112 -0.00019582
0.00485295 0.01356231 0.02270174
9.54701425 20.42761504 0.85364423
0.00020538 -0.00006343 0.00043838
0.02389410 -0.00766212 -0.02139822
-11.77284256 12.67856630 15.07689097
-0.00057878 -0.00036994 -0.00001728
-0.00864656 0.02924477 0.00120271
-6.36418638 1.54318349 -12.11992738
0.00019382 -0.00026881 -0.00023551
0.00215367 0.02987437 -0.02859077
-7.40114524 7.81310610 -5.89076173
0.00009018 0.00005527 -0.00006053
-0.02375824 0.01115668 -0.01723678
-7.62373158 -4.48410303 17.88976637
-0.00007052 0.00035605 -0.00033117
-0.00598665 -0.00565626 0.00756942
-23.41791564 -4.84357959 -22.48262185
-0.00017411 -0.00039774 -0.00022833
0.00001682 0.00601943 -0.03299360
6.64371831 12.78243819 6.06959518
-0.00004022 0.00002084 0.00003456
-0.01140914 0.01125329 -0.03685867
24.65752797 30.33409575 -2.81986392
0.00014110 0.00010165 -0.00031382
-0.00208423 0.02734422 0.01804482
7.91105053 -1.30415599 -14.35368440
0.00002376 0.00013714 -0.00030314
-0.00269828 0.01773320 0.03390411
-7.13121503 -0.88756022 14.32468046
-0.00023107 -0.00004878 0.00018367
-0.01443635 -0.01886383 -0.00314890
-1.97171114 -26.22222216 11.31662404
0.00011336 -0.00012752 0.00015028
0.01852318 0.00610842 0.00636305
-14.26221409 -4.65797286 -7.08576176
0.00026787 0.00010796 0.00011605
0.00074401 0.00226307 -0.00812325
-20.01877916 -12.47656101 -17.89693710
-0.00007282 -0.00025692 0.00007031
0.05166401 -0.00852900 0.03121950
22.62915346 3.60612717 3.09482006
0.00023473 0.00003443 -0.00023678
0.00856077 0.02641950 0.00647771
17.80378928 -10.02971987 -14.34338778
-0.00001313 -0.00031075 -0.00008124
-0.02046606 0.01255409 -0.01095160
-2.19938361 1.94109167 -7.21151946
0.00025064 -0.00014406 0.00039595
-0.02330069 -0.01085934 0.00277218
-4.08286642 -3.02020499 -15.63011736
-0.00013970 -0.00007748 0.00005040
-0.01934710 -0.00255455 -0.00105457
13.41458684 17.17599821 -20.24273342
-0.00014829 0.00011031 0.00033802
-0.02493473 -0.00447319 -0.01094352
-16.50917472 16.04342211 -12.07483036
0.00059314 0.00012915 0.00003629
-0.04869782 0.01531403 0.04111979
1.41816542 14.24665982 7.56569153
0.00058775 0.00028853 -0.00007169
0.03225007 -0.01577995 -0.01699031
-5.16013252 -9.58489274 2.04850514
-0.00015963 -0.00005719 0.00016504
-0.03723413 0.02048295 -0.00349764
3.09752698 -6.29249341 2.46802180
-0.00002464 -0.00049574 0.00012900
-0.00394075 0.07611377 0.00934069
10.85374483 4.83006339 4.65348508
0.00009708 0.00007814 -0.00038945
-0.00995857 0.00862393 -0.00191262
-8.54389756 -9.74372324 -2.57174651
0.00009067 0.00020924 -0.00046105
0.00693940 -0.04473541 0.02917920
3.10910056 -15.97710197 -13.26858759
0.00029013 -0.00019487 0.00015877
0.00492824 0.03793951 -0.06464682
4.86512521 -8.46760936 -5.74799091
0.00005094 0.00012873 0.00036912
0.00612606 0.02716317 -0.06060823
18.55581551 0.71275307 24.84808085
0.00011170 0.00033950 -0.00024526
-0.00990834 0.02119955 0.00472147
-8.08004490 3.15010436 1.00567231
-0.00057032 -0.00007031 0.00024812
-0.01803757 0.00858668 0.01530011
-7.92917084 14.20347536 -10.65995640
0.00034644 0.00002518 0.00027458
0.00927609 0.01299258 0.03593979
1.67364727 11.34900714 -9.04524367
0.00009999 0.00005306 0.00025227
-0.00119943 0.03325666 0.02774184
-11.87991294 9.92015480 -13.80049663
0.00016955 0.00037088 -0.00025933
-0.01840196 -0.00613970 0.03852550
7.31047399 4.18000388 14.71785280
-0.00033976 0.00010996 -0.00001389
-0.00943977 0.06097273 -0.01813966
-14.58716382 9.44395553 -9.42033504
0.00002486 -0.00030477 0.00046587
-0.01849417 0.01068159 0.02730820
8.51024000 8.38667870 -3.09961006
-0.00002689 -0.00018388 -0.00006249
0.03817170 0.01741346 0.03423642
13.65104801 -20.37079445 -25.73744680
0.00020681 -0.00006658 0.00008102
-0.00211992 0.00404221 0.00911405
6.34691035 6.45591657 2.73932005
0.00013756 0.00035800 -0.00017851
-0.02413322 -0.02853562 -0.02798288
19.25455174 -5.77438735 -6.42489816
-0.00027807 0.00010590 -0.00035736
0.01111771 -0.00953233 -0.01509862
-1.74871140 0.11674548 -2.43094139
-0.00010521 -0.00012975 -0.00023029
0.01637863 -0.00618767 -0.00798913
2.43793944 -1.92433514 -12.45232000
-0.00003607 0.00002610 0.00031075
-0.01969857 -0.03028022 0.03247759
20.65508844 9.32138504 -5.24515407
-0.00054009 0.00029871 0.00011190
-0.02377983 -0.00856843 -0.02165962
-7.47412597 6.48377995 9.44036194
0.00006699 -0.00000456 -0.00005763
-0.01442446 -0.00422344 -0.05200638
-2.69110423 -14.60720446 11.65070301
0.00008058 -0.00002757 -0.00036432
-0.00555650 0.00343765 0.00951843
8.15439990 0.45501165 -4.95646351
-0.00007752 -0.00003450 -0.00016676
0.01560412 -0.04561231 -0.00715531
-0.00734999 -10.01108229 0.52752810
-0.00006226 -0.00010659 -0.00006222
-0.00626691 0.00422155 -0.02237411
-20.04999729 -1.49343789 4.74221655
-0.00019021 0.00032671 0.00016432
0.01452003 -0.03067524 0.00836614
-4.71693947 7.64624538 -23.44989306
0.00023814 -0.00005920 -0.00029535
-0.02915217 -0.03439382 -0.00100515
2.57317483 2.43483419 -1.47766913
-0.00010595 -0.00032440 0.00040339
0.01571281 0.03025517 0.00080587
15.51186807 7.60165118 4.69594343
-0.00002481 -0.00038271 0.00003953
0.00081320 0.02297150 -0.03047107
-9.30314466 -4.99273499 7.43067581
-0.00051809 0.00096236 -0.00016524
-0.01401753 0.00341179 -0.00915343
-10.60422533 -3.86154749 4.95715671
0.00023540 0.00082813 -0.00028362
0.00991893 -0.00537202 -0.00194057
-13.01479371 4.83484718 9.03588791
0.00082735 -0.00027229 -0.00100999
-0.00506212 -0.00283846 -0.00053102
-13.39129980 1.97193581 8.65162370
0.00006481 0.00003225 -0.00003244
-0.01232099 0.02217406 0.00803264
-14.72088656 1.07103228 4.76041164
-0.00087923 0.00138285 0.00041403
0.01956224 -0.00038788 0.02853030
-17.22651886 -0.05967016 3.97256221
-0.00050190 -0.00078765 0.00047572
0.00645317 0.01072263 -0.00239246
2.46718248 -21.18146161 11.65072604
0.00110879 0.00035286 0.00040965
0.00458313 -0.01413422 -0.00797355
3.53831569 -20.19586314 14.22887793
0.00051675 0.00000989 0.00128122
-0.00434907 0.00502989 -0.01542363
8.73712043 18.77426409 0.68599789
-0.00060716 -0.00007951 0.00099014
-0.00962560 0.01097389 0.00709562
8.68155748 21.72761954 1.77974541
-0.00009089 -0.00046853 0.00030788
-0.02069433 -0.00577538 0.00426656
-10.55532001 12.32459064 16.36664089
-0.00050369 -0.00073510 0.00027407
0.01104439 -0.00795109 0.01366143
-12.58003007 14.24756814 15.70487109
-0.00010305 0.00019902 0.00082952
0.00741532 -0.01212689 -0.01147380
-5.79654820 0.20615230 -13.15626941
0.00071504 0.00046094 0.00000128
0.00858047 -0.01420075 -0.01570969
-6.66844895 0.79550662 -10.53938307
-0.00014859 0.00052257 -0.00094812
-0.01096220 -0.01500179 0.03653074
-6.72916431 6.51586443 -4.86291301
-0.00002899 -0.00059686 0.00000334
0.00586169 -0.01541309 0.01201117
-9.21670476 7.70290843 -5.56336404
-0.00032234 0.00031465 0.00052159
0.01183511 0.00050499 -0.00409115
-8.71838997 -3.44663232 18.93889925
-0.00030689 0.00059698 0.00097891
0.00765898 -0.00481723 -0.00326129
-7.69722575 -6.18478977 18.60339361
-0.00000990 -0.00017976 0.00011152
-0.00361246 0.00288329 0.00052079
-23.21974486 -3.29255213 -23.51699745
0.00020269 -0.00049243 0.00092352
-0.00552806 -0.01027609 0.01476527
-23.42986166 -4.35113572 -20.76081595
0.00096961 -0.00039979 -0.00019325
-0.00041472 0.00766526 0.01117866
6.84144311 13.25156063 4.25578911
-0.00058678 0.00007365 -0.00016745
-0.00623704 0.00103382 0.02118426
8.01874465 11.63212443 6.27342998
0.00045348 -0.00002234 0.00018634
0.01761240 -0.01442688 0.01578639
24.48794852 28.73977595 -2.01796028
0.00043888 0.00038421 -0.00043012
0.00261614 -0.01980381 0.00262951
23.78350595 31.50467392 -1.62592234
-0.00018631 0.00052027 0.00034612
0.01105777 -0.00254825 -0.00616209
9.42760627 -2.43139823 -14.19759433
0.00036495 0.00040007 -0.00147636
-0.01103661 0.00564429 -0.00321392
7.42722604 -0.64248240 -12.65665190
0.00118084 -0.00037007 -0.00041962
0.00535125 -0.02171304 -0.02679420
-7.36689621 -0.39914679 16.04971398
-0.00016868 0.00086868 0.00049244
0.01024291 0.02142034 0.01496733
-8.24825592 -2.34704609 14.40742767
-0.00144955 -0.00067107 -0.00135268
0.00903334 -0.00066996 -0.01262764
-2.54054381 -26.79095094 13.03094453
0.00037926 0.00054607 -0.00017646
-0.00230060 0.00206530 -0.01664080
-3.17860581 -25.98292102 9.96729269
0.00019900 0.00047869 -0.00048033
-0.00666942 -0.00308057 0.00451291
-13.82450005 -2.97722623 -6.47042245
-0.00079685 0.00059524 0.00055267
-0.00700279 0.00287426 0.00185993
-15.02471971 -4.46696482 -8.75109558
0.00003812 -0.00005345 0.00031752
0.00464603 -0.00300873 0.00230169
-18.70027051 -11.61362022 -16.76463948
-0.00047494 0.00136296 0.00117433
-0.02721328 -0.00291491 -0.02222056
-18.85133646 -13.91741043 -18.28016330
-0.00008309 0.00012502 -0.00011182
-0.01425663 0.01442866 -0.00514330
23.15854657 3.63884275 1.34283137
0.00077443 -0.00133655 0.00006555
0.00193009 -0.01472164 -0.00701018
23.15557686 5.30397061 3.59556281
-0.00061617 -0.00000235 0.00090722
-0.00854409 -0.01186658 0.01069949
16.32777296 -9.53404944 -13.22590640
-0.00090931 -0.00084207 0.00064936
0.02139074 -0.00393248 -0.02417482
17.55850003 -9.40276970 -16.12965655
-0.00064342 -0.00099222 -0.00029818
-0.00347747 -0.00804335 0.03431182
-0.60745235 2.56016387 -7.82584449
0.00016392 -0.00000581 -0.00052028
0.01420657 -0.00614467 -0.01186605
-2.71231465 0.49823220 -8.26798563
0.00101361 -0.00134075 0.00087421
0.00692214 0.01554779 0.00896515
-5.72388417 -3.02290777 -16.50303071
-0.00055397 -0.00061101 -0.00051126
0.01821251 -0.00088043 0.00539590
-3.03231782 -2.00251510 -16.72210477
-0.00046489 0.00038765 0.00019636
-0.00296333 0.00516126 -0.00352027
12.80394601 18.59734536 -21.24382431
-0.00014091 0.00075886 0.00039373
0.01232325 0.00859428 0.00576888
11.79980472 16.23810990 -20.44529322
0.00042049 0.00013226 0.00078579
0.01474735 -0.00777474 0.00610846
-15.40600470 15.46795673 -13.27642367
0.00002695 -0.00016294 -0.00119549
0.04954626 -0.01491367 -0.04415465
-17.96442144 15.02509786 -12.59989118
-0.00025036 -0.00005625 -0.00041847
-0.00144331 -0.00031368 0.01265804
2.55853090 15.15668211 6.45564713
0.00032163 0.00065490 0.00015178
0.00454371 -0.01638249 -0.01617963
0.53662261 15.63239978 8.13695894
0.00123882 0.00037156 -0.00023827
-0.04230559 0.03501279 0.02763273
-6.45171578 -8.33132764 1.31136509
-0.00055582 0.00013977 -0.00066673
0.04243762 -0.02526009 0.01842943
-3.43964549 -9.11950160 1.58915342
-0.00015318 -0.00073512 0.00061392
0.00000167 0.00090770 -0.00838770
2.60515341 -4.37436889 2.82708757
-0.00058689 0.00047462 -0.00027193
0.01054319 -0.05978943 -0.00269626
4.54466638 -5.96567712 1.37046476
-0.00053009 -0.00001850 -0.00002671
0.00029708 -0.01398680 0.00327082
9.34054418 5.87738224 4.25350375
-0.00098794 0.00017409 0.00031834
0.01475702 -0.01197026 0.00019269
12.28656804 5.99017088 4.70765481
-0.00041209 0.00040518 -0.00002164
-0.00033111 0.00150030 0.00351900
-7.69360535 -11.39896118 -1.98462672
0.00000826 0.00030810 0.00027634
-0.00963702 0.03968596 -0.02498901
-9.89873450 -9.63100041 -1.31073557
0.00051407 -0.00021023 0.00035784
0.00198514 0.00936545 -0.01043781
4.61506014 -16.84301198 -13.76751258
-0.00059378 0.00111875 -0.00189727
0.00818745 -0.00447296 0.00020564
2.71454961 -16.62259930 -11.73579748
0.00038167 0.00042810 0.00095680
-0.01550602 -0.03187564 0.06534237
5.97947731 -6.94893489 -6.12305458
-0.00039150 -0.00020276 -0.00057249
-0.01967312 -0.02057455 0.01630110
4.88057372 -8.83510428 -4.05075134
-0.00024663 0.00049728 0.00042361
0.00555512 -0.00304014 0.05008192
17.01641502 1.61005624 24.35142845
-0.00058881 -0.00001974 0.00037596
-0.01079217 -0.01316141 -0.00340320
19.40698642 2.24276842 25.44899530
0.00039462 0.00044021 -0.00084372
0.01501992 -0.01263481 -0.00217892
-9.56921451 2.97923593 2.13520498
-0.00006949 0.00017686 -0.00016709
0.01245928 0.00530254 -0.00335458
-7.85683418 4.97865771 0.95917828
0.00016508 0.00001386 -0.00062194
0.00784652 -0.00735213 -0.00008779
-6.61530202 14.89605257 -9.44679898
0.00041583 -0.00081581 0.00024315
-0.03158418 -0.01691856 -0.02354007
-9.47584823 13.81971352 -9.59010816
-0.00034819 0.00005940 0.00058809
0.02597292 0.00222357 -0.01463379
0.07932790 11.04214416 -8.16194072
-0.00024279 -0.00027267 -0.00057180
0.00680167 -0.00557821 -0.00350851
2.39016498 12.69105830 -7.82623570
0.00005202 0.00021278 -0.00019765
0.00008369 -0.02994206 -0.02839115
-10.43075935 8.80265698 -13.72153583
0.00054512 -0.00030994 0.00036733
0.00095020 0.00206210 0.00116129
-12.73414919 9.80154288 -12.01788910
0.00042115 -0.00009444 0.00063555
0.01600380 0.00276305 -0.04186165
7.14950909 6.06448061 14.84484473
-0.00027840 0.00079943 0.00096581
0.00487252 -0.02347791 0.01402678
7.47494354 4.25338499 12.88348859
-0.00093393 0.00025539 0.00003460
0.00433660 -0.02481254 -0.00491751
-14.10697977 10.72327292 -8.06016650
-0.00024763 0.00011884 -0.00064112
0.00051745 -0.01990693 -0.02510232
-16.44227178 9.51399978 -9.48033457
-0.00064231 0.00086118 -0.00037475
0.01220166 0.00300430 -0.00451737
8.89111002 9.83336621 -1.96190677
-0.00086957 -0.00009023 -0.00027005
0.00729192 -0.01797066 -0.01248629
6.85300743 8.86841709 -3.39494658
0.00121041 -0.00069147 -0.00169255
-0.04870086 0.00068347 -0.01807132
12.08537036 -20.51908256 -26.61966675
-0.00005467 0.00013539 -0.00056054
-0.01218524 0.00112626 -0.00570473
13.20445899 -19.68938060 -24.01934190
0.00024846 0.00031145 -0.00007891
0.01536212 -0.01264331 -0.01657476
5.69771651 4.65927777 2.69659345
-0.00107508 -0.00064328 -0.00052006
0.01458359 0.01580118 0.01628988
6.41817509 6.67645883 0.89515173
-0.00074252 0.00063584 0.00017460
0.00750769 0.01087308 0.01307411
20.48272321 -6.66487218 -5.43562024
0.00083378 -0.00017150 -0.00015495
0.00066847 -0.00180550 0.00314693
18.09427267 -4.99065724 -5.31100688
-0.00024771 -0.00083626 -0.00048918
-0.01615750 0.01079766 0.01642958
-3.20995397 0.13782347 -1.34874497
0.00141479 -0.00059335 -0.00013885
-0.00268334 0.00953805 -0.00482511
-1.96304976 0.82305028 -4.14737862
0.00009985 0.00077470 0.00022838
-0.01749468 -0.00437698 0.00381255
3.63027023 -3.36839085 -12.10901631
-0.00120481 0.00046955 0.00011651
-0.00644440 0.01920605 -0.00916830
0.80178968 -2.51247752 -11.49743519
-0.00027523 0.00046153 0.00069301
0.02613458 0.00687878 -0.02581857
20.46026153 8.22187520 -6.73010428
-0.00088258 -0.00079660 -0.00054265
-0.00224689 0.00930861 0.00904559
22.25408069 8.82012802 -4.52410075
-0.00003527 -0.00110662 -0.00010372
0.01203308 -0.00509626 0.00028105
-7.54484799 4.68368530 9.01112165
-0.00033489 -0.00008404 -0.00039886
0.00381095 0.00241258 0.00086795
-7.30058516 6.39123612 11.15614094
0.00009980 -0.00047074 0.00035095
-0.00103976 -0.00016314 0.06009935
-3.10649870 -16.34032580 11.98141417
0.00016608 -0.00011860 -0.00051348
0.00830617 -0.01373431 -0.00272741
-4.36305962 -13.90163048 11.84669925
-0.00000941 0.00091879 -0.00001555
0.00419850 0.01088950 -0.00298239
8.07720575 0.13596228 -3.19854364
0.00050183 0.00003263 0.00110872
-0.00285876 0.00591953 0.01655945
7.63472650 2.09002897 -5.55666405
-0.00011141 0.00074352 -0.00024955
-0.00371601 0.01797839 0.00006780
1.02005295 -10.46288760 1.97692095
0.00074904 -0.00083740 -0.00080245
0.00465129 0.00184919 0.00374542
0.50347251 -8.32419991 -0.07447668
-0.00083783 0.00015052 0.00006711
-0.00344075 -0.01151444 0.01359116
-19.83132721 -1.51745257 6.61741480
-0.00009168 0.00044794 -0.00059653
-0.00496761 -0.00170662 -0.00408013
-20.69360751 0.09145532 4.28649218
-0.00025650 -0.00063252 -0.00000095
-0.01829383 0.03408677 -0.00653165
-3.67800276 7.83813418 -24.92970417
-0.00064300 0.00071793 0.00048425
0.01222042 0.02252273 0.00264260
-4.47480732 8.77585265 -22.09143797
-0.00024422 0.00035817 -0.00116917
0.01718269 0.01917982 0.00385432
3.42022014 0.89122408 -1.11376226
0.00147027 -0.00016223 0.00088412
0.00123434 -0.00859639 0.00096436
0.92899809 2.03686179 -2.12645130
0.00015439 0.00040045 -0.00040403
-0.01400344 -0.01819840 -0.00083069
16.28947629 7.68464586 6.30839078
-0.00005172 -0.00055217 0.00043669
0.00184693 -0.00532109 0.02310484
15.87457906 9.31992082 4.07240097
0.00011870 0.00097099 -0.00084504
-0.00644066 -0.01379474 -0.00191769
-0.34524212 -11.82184580 -13.43461298
-0.00004709 0.00002978 0.00024498
0.00500460 -0.00435673 0.00115570
-13.92812422 14.55966415 22.08826775
-0.00002447 -0.00009424 0.00013845
0.00401636 -0.00088476 0.00114489
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02765880
0.32770267
436.64737368
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1371768524
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3340959788 (a.u.)
total exchange computation time: 2.6492650509 s
-153.9272780644
-931.35146067
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1371768524
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3338108896 (a.u.)
total exchange computation time: 2.6490869522 s
-153.9307947706
Anderson extrapolation: theta=1.3515676457 (1.3515676457)
-931.35171409
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1371768524
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3333398078 (a.u.)
total exchange computation time: 2.6489818096 s
-153.9362325657
Anderson extrapolation: theta=0.0518111016 (0.0518111016)
-931.35186537
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1371768524
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3332463488 (a.u.)
total exchange computation time: 2.6481280327 s
-153.9371122150
Anderson extrapolation: theta=1.8951275961 (1.8951275961)
-931.35187085
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1371768524
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3330487676 (a.u.)
total exchange computation time: 2.6489808559 s
-153.9389120919
Anderson extrapolation: theta=0.2130293889 (0.2130293889)
-931.35187630
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1371768524
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3330022804 (a.u.)
total exchange computation time: 2.6479887962 s
-153.9392964796
Anderson extrapolation: theta=1.8704133030 (1.8704133030)
-931.35187726
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1371768524
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3329347895 (a.u.)
total exchange computation time: 2.6485621929 s
-153.9398223370
Anderson extrapolation: theta=0.2840773711 (0.2840773711)
-931.35187839
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1371768524
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3329351132 (a.u.)
total exchange computation time: 2.6488680840 s
-153.9397853839
Anderson extrapolation: theta=1.3265647682 (1.3265647682)
-931.35187866
-209.183850 50.596584 -160.496088
-134.258191 459.509816 -798.423002
-343.442040 510.106400 -958.919090
1139.160566
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1371768524
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3329495753 (a.u.)
total exchange computation time: 2.6491849422 s
678.28870052
-1082.70421548
89.90198311
-389.78441853
-174.72097889
77.71521826
551.60419304
0.00000000
-931.35187884
-10.83768281 -4.22645628 6.73304424
-0.00019638 -0.00005623 0.00004793
0.01098058 -0.00565030 0.00998060
-14.18566687 3.48570856 9.47426269
0.00011473 0.00002525 -0.00015436
0.02257020 -0.00288951 -0.01345625
-15.97495580 1.28174683 3.52596340
0.00007200 0.00023072 -0.00016430
-0.02992946 -0.00977688 -0.02677440
2.40305275 -19.80217961 12.81899276
0.00014280 -0.00007356 -0.00018149
0.00985907 0.01586493 0.03303322
9.55018713 20.42663396 0.86013741
0.00021730 -0.00006819 0.00042722
0.02245777 -0.01082545 -0.02199615
-11.78155760 12.67313007 15.07663638
-0.00058290 -0.00035424 -0.00001575
-0.00736825 0.03178188 0.00475948
-6.36127080 1.53926664 -12.12357027
0.00019489 -0.00025177 -0.00025132
0.00202013 0.03636871 -0.03290061
-7.39988415 7.81397824 -5.89173619
0.00007758 0.00006014 -0.00006857
-0.02525043 0.00778379 -0.01402393
-7.62481253 -4.47878416 17.88482797
-0.00007476 0.00035298 -0.00032565
-0.01048124 -0.00627162 0.01390689
-23.42052727 -4.84952242 -22.48617406
-0.00017421 -0.00039526 -0.00024432
-0.00038706 0.00359845 -0.02920157
6.64307104 12.78279414 6.06997145
-0.00004550 0.00002610 0.00001566
-0.00914389 0.00920750 -0.03667046
24.65963636 30.33572590 -2.82450167
0.00013947 0.00011701 -0.00030415
-0.00423730 0.03242036 0.01956243
7.91139654 -1.30203046 -14.35810079
0.00002264 0.00014597 -0.00028671
-0.00165535 0.01661567 0.03002081
-7.13473682 -0.88836470 14.32742344
-0.00023970 -0.00005953 0.00018262
-0.01911382 -0.02294070 -0.00095307
-1.96993934 -26.22411133 11.31890273
0.00012274 -0.00012388 0.00015195
0.01795830 0.00801505 0.00014251
-14.25819320 -4.65634481 -7.08405238
0.00026844 0.00010962 0.00011230
0.00147721 0.00422514 -0.00644134
-20.01967214 -12.48044769 -17.89576210
-0.00004608 -0.00026013 0.00008711
0.05231666 -0.00396113 0.03412204
22.63270743 3.60674548 3.09129333
0.00023885 0.00004770 -0.00023281
0.00746648 0.02518995 0.00896390
17.80351335 -10.03433269 -14.34464865
-0.00002459 -0.00030412 -0.00008609
-0.02409480 0.01320678 -0.00790824
-2.19571392 1.93888887 -7.20556953
0.00023913 -0.00015002 0.00039664
-0.02144298 -0.01231547 -0.00009706
-4.08503656 -3.02137705 -15.62936542
-0.00015053 -0.00007881 0.00004938
-0.02274759 -0.00262293 -0.00289743
13.41226633 17.17763559 -20.23770535
-0.00016044 0.00010911 0.00033212
-0.02233098 -0.00016992 -0.01199949
-16.50046543 16.04541845 -12.07412743
0.00056828 0.00013553 0.00005567
-0.04797224 0.00949294 0.03423626
1.42710602 14.25092686 7.56455058
0.00060444 0.00028004 -0.00008047
0.03268319 -0.01723131 -0.01714708
-5.16267060 -9.58567163 2.05096725
-0.00017980 -0.00004649 0.00016308
-0.04120031 0.02114681 -0.00413443
3.09714216 -6.29963592 2.46999289
-0.00002729 -0.00045577 0.00013410
-0.00637640 0.07933118 0.01047855
10.85516264 4.83126882 4.64763593
0.00009069 0.00008297 -0.00039050
-0.01488490 0.01013196 -0.00216350
-8.54251077 -9.74075725 -2.57854975
0.00009397 0.00018610 -0.00044550
0.00588917 -0.04521722 0.03130357
3.11347153 -15.97987872 -13.26645537
0.00029053 -0.00017497 0.00012735
-0.00337802 0.03946585 -0.05754992
4.86591299 -8.46557369 -5.74268791
0.00005368 0.00014208 0.00033808
0.00450107 0.02476597 -0.06009793
18.55745278 0.71792738 24.84442010
0.00010625 0.00035047 -0.00024293
-0.01128448 0.02145808 0.00437051
-8.08866934 3.14908284 1.00945313
-0.00057849 -0.00006554 0.00025510
-0.01372251 0.00995565 0.01184359
-7.92393845 14.20390325 -10.65569908
0.00035013 0.00003138 0.00029321
0.00506146 0.01110434 0.03651741
1.67514252 11.34993136 -9.04135267
0.00009941 0.00006990 0.00026603
-0.00107356 0.03223185 0.02578172
-11.87744067 9.92569435 -13.80423800
0.00016099 0.00036669 -0.00023865
-0.01487366 -0.01017454 0.04188736
7.30534120 4.18188841 14.71757449
-0.00034477 0.00014219 -0.00002269
-0.01005718 0.06439432 -0.01609687
-14.58686233 9.43942517 -9.41324161
0.00001385 -0.00029969 0.00047913
-0.02430738 0.00909040 0.02424204
8.50998390 8.38398762 -3.10041530
-0.00000515 -0.00017585 -0.00004458
0.04634914 0.01380860 0.03539349
13.65414196 -20.37177755 -25.73619628
0.00020482 -0.00006458 0.00008499
-0.00559935 0.00371903 0.00631140
6.34888066 6.46117651 2.73653442
0.00012435 0.00034161 -0.00019221
-0.02723218 -0.03519509 -0.02529749
19.25042351 -5.77283564 -6.43031673
-0.00027020 0.00009949 -0.00036468
0.01948681 -0.01539049 -0.01338479
-1.75022633 0.11477539 -2.43442648
-0.00009469 -0.00013303 -0.00023558
0.02451741 -0.00657308 -0.01259551
2.43732237 -1.92406046 -12.44753346
-0.00004743 0.00001168 0.00032723
-0.02446514 -0.02577813 0.03160592
20.64689539 9.32583259 -5.24355913
-0.00055115 0.00029263 0.00009968
-0.01924272 -0.01507792 -0.02585678
-7.47317679 6.48369530 9.43929685
0.00005966 -0.00000702 -0.00008290
-0.01405887 -0.00536962 -0.04623573
-2.68991693 -14.60760472 11.64527485
0.00007703 -0.00002543 -0.00035928
-0.00825020 0.00487303 0.01009137
8.15329730 0.45431820 -4.95899250
-0.00007005 -0.00005721 -0.00016821
0.01342926 -0.04270384 0.00150834
-0.00830807 -10.01266481 0.52650848
-0.00006553 -0.00010464 -0.00007365
-0.00645653 0.00335208 -0.02207758
-20.05279446 -1.48865555 4.74471360
-0.00018209 0.00030943 0.00016795
0.01704441 -0.03651068 0.00575242
-4.71347976 7.64522475 -23.45432720
0.00022204 -0.00007764 -0.00029478
-0.03345904 -0.03732079 0.00321395
2.57164617 2.43008485 -1.47161516
-0.00009682 -0.00030973 0.00040430
0.01979027 0.02679918 0.00271569
15.51149906 7.59599915 4.69641881
-0.00002370 -0.00036874 0.00002358
0.00351064 0.03136483 -0.03153626
-9.31134557 -4.97819507 7.42791672
-0.00056546 0.00097129 -0.00019769
-0.00916827 0.00096197 -0.00672945
-10.60039031 -3.84929014 4.95284291
0.00027462 0.00080431 -0.00028337
0.00927516 -0.00628638 0.00206211
-13.00253859 4.83067580 9.02072179
0.00080201 -0.00028758 -0.00100985
-0.00733958 -0.00464456 0.00060033
-13.39070519 1.97309901 8.65138323
0.00001443 0.00012100 0.00000001
-0.01233903 0.02127201 0.00785188
-14.73347560 1.09176321 4.76749632
-0.00079460 0.00138104 0.00053505
0.02186508 -0.00050002 0.03070891
-17.23384968 -0.07115633 3.97962476
-0.00046652 -0.00073343 0.00046254
0.01086796 0.01581795 -0.00405908
2.48395482 -21.17660175 11.65662642
0.00112788 0.00028700 0.00037012
0.00476249 -0.01810505 -0.01137763
3.54593369 -20.19556063 14.24762353
0.00048807 0.00003417 0.00120423
-0.00969196 0.00685424 -0.02226062
8.72771805 18.77340769 0.70106743
-0.00064300 -0.00003162 0.00101841
-0.00791633 0.01246972 0.00674126
8.67955997 21.72041458 1.78449438
-0.00017556 -0.00048861 0.00032711
-0.02075101 -0.00405055 0.00514759
-10.56253695 12.31332042 16.37117056
-0.00046231 -0.00076674 0.00032528
0.00921181 -0.00753268 0.01140405
-12.58134853 14.25018187 15.71696234
-0.00007074 0.00014429 0.00077971
0.00839657 -0.01466673 -0.01291176
-5.78555970 0.21263128 -13.15673156
0.00075277 0.00039638 -0.00006713
0.00988895 -0.01740336 -0.01777705
-6.67101376 0.80288552 -10.55248552
-0.00019573 0.00045438 -0.00078534
-0.01211160 -0.01837738 0.04315465
-6.72941947 6.50643929 -4.86249484
-0.00000835 -0.00065335 0.00004707
0.00423870 -0.01224326 0.00939244
-9.22117716 7.70764358 -5.55566549
-0.00026765 0.00031704 0.00050351
0.01493702 0.00066880 -0.00476049
-8.72275867 -3.43782522 18.95348300
-0.00026689 0.00056939 0.00095641
0.01192369 -0.00868925 -0.00775260
-7.69748488 -6.18739779 18.60508240
-0.00002430 -0.00015950 0.00010995
-0.00343750 0.00703207 -0.00129057
-23.21687397 -3.30025352 -23.50269218
0.00018108 -0.00052773 0.00097635
-0.00504766 -0.00700250 0.01109352
-23.41533021 -4.35689775 -20.76337210
0.00096772 -0.00037042 -0.00014788
-0.00050839 0.00671456 0.01103045
6.83245035 13.25269711 4.25392654
-0.00061133 0.00007688 -0.00007958
-0.00578161 0.00054441 0.02182939
8.02608662 11.63134731 6.27670879
0.00051968 -0.00007624 0.00024913
0.01478862 -0.01195745 0.01494931
24.49461188 28.74493226 -2.02433150
0.00044896 0.00029868 -0.00041657
0.00231824 -0.02206235 0.00400559
23.78105007 31.51239984 -1.62091939
-0.00013715 0.00050403 0.00031451
0.01300835 -0.00540158 -0.00931207
9.43274227 -2.42522417 -14.21983823
0.00031995 0.00042239 -0.00148834
-0.01098822 0.00527824 -0.00264885
7.44510264 -0.64869874 -12.66376726
0.00120002 -0.00045597 -0.00052173
0.00403557 -0.02033911 -0.02319154
-7.36911249 -0.38546024 16.05755920
-0.00012800 0.00094930 0.00054395
0.00967054 0.01804664 0.01025023
-8.26972233 -2.35713262 14.38675047
-0.00140186 -0.00065805 -0.00139998
0.01431073 0.00704282 -0.01052202
-2.53492538 -26.78269665 13.02778773
0.00036632 0.00055224 -0.00023844
-0.00403330 0.00095677 -0.01369730
-3.17582524 -25.97583504 9.96022601
0.00017603 0.00046483 -0.00045586
-0.00457273 -0.00370585 0.00746525
-13.83666732 -2.96820961 -6.46207537
-0.00082623 0.00060274 0.00055851
-0.00738168 0.00080019 0.00099585
-15.02400557 -4.46785878 -8.74626227
0.00005662 -0.00006535 0.00032499
0.00441265 -0.00281795 0.00135476
-18.70822849 -11.59326519 -16.74770544
-0.00059058 0.00134303 0.00107588
-0.02939367 -0.00683928 -0.02596935
-18.85301964 -13.91509292 -18.28199824
-0.00013778 0.00018291 -0.00013172
-0.01251720 0.01390596 -0.00459499
23.17022220 3.61834332 1.34359978
0.00078399 -0.00139306 0.00003571
0.00274783 -0.01293753 -0.00759461
23.14607253 5.30357167 3.60949892
-0.00065042 -0.00005160 0.00094696
-0.00822193 -0.01224175 0.00875695
16.31478881 -9.54680092 -13.21690675
-0.00081463 -0.00085955 0.00054472
0.02495343 -0.00462779 -0.02704990
17.54874214 -9.41789943 -16.13307788
-0.00065760 -0.00102436 -0.00015778
-0.00346271 -0.00769275 0.03441563
-0.60455816 2.55988844 -7.83401229
0.00021791 -0.00003225 -0.00056640
0.01222016 -0.00679881 -0.01070998
-2.69689845 0.47859745 -8.25459776
0.00104209 -0.00127280 0.00091394
0.00702072 0.01771341 0.01048142
-5.73163568 -3.03209994 -16.51053422
-0.00047239 -0.00061449 -0.00048513
0.02172535 -0.00082171 0.00739164
-3.03938204 -1.99654224 -16.71926721
-0.00047699 0.00040897 0.00018158
-0.00295659 0.00527766 -0.00371366
12.80220996 18.60899165 -21.23774161
-0.00008957 0.00078763 0.00042076
0.01280652 0.00548999 0.00746445
11.80656398 16.23985555 -20.43331922
0.00047456 0.00009805 0.00080929
0.01171972 -0.00897007 0.00539618
-15.40408214 15.46505558 -13.29570905
0.00021891 -0.00021886 -0.00136534
0.04441624 -0.01245740 -0.03898827
-17.96822102 15.02424444 -12.60578036
-0.00024700 -0.00005104 -0.00036297
0.00308468 0.00286675 0.01450952
2.56349466 15.16600364 6.45742801
0.00034239 0.00058771 0.00008362
0.00561405 -0.01651109 -0.01718333
0.55390848 15.63904604 8.13423164
0.00106272 0.00051759 -0.00012280
-0.04389579 0.03647325 0.02888907
-6.45875266 -8.33000521 1.30192881
-0.00037782 0.00003339 -0.00058864
0.04469519 -0.02681346 0.01979660
-3.44194311 -9.13050064 1.59810523
-0.00014974 -0.00072969 0.00057821
0.00167949 0.00175190 -0.00909364
2.59667320 -4.36908175 2.82292593
-0.00054178 0.00022406 -0.00028293
0.01153408 -0.06285870 -0.00268780
4.53672415 -5.96638329 1.37016436
-0.00052580 -0.00007555 -0.00001554
0.00180358 -0.01393886 0.00219483
9.32617726 5.87962675 4.25828479
-0.00092005 0.00012055 0.00031994
0.01847730 -0.01423721 0.00058721
12.28037654 5.99629455 4.70743804
-0.00041135 0.00041291 -0.00000751
0.00069570 0.00228517 0.00339726
-7.69377674 -11.39312359 -1.98124739
-0.00002994 0.00046968 0.00017247
-0.00906073 0.03941026 -0.02585670
-9.89096264 -9.63386688 -1.30568786
0.00052281 -0.00017062 0.00031261
0.00229475 0.01002546 -0.01169894
4.60640438 -16.82636784 -13.79596534
-0.00055091 0.00109321 -0.00189642
0.01279799 -0.00802890 0.00021229
2.71979946 -16.61715459 -11.71944320
0.00032556 0.00030206 0.00120944
-0.01195871 -0.02982167 0.05832655
5.97300203 -6.95260681 -6.13114245
-0.00046892 -0.00028353 -0.00050492
-0.01822446 -0.01896331 0.01677544
4.87704444 -8.82773828 -4.04286259
-0.00022355 0.00048635 0.00062611
0.00574441 -0.00230974 0.04904562
17.00725215 1.60935677 24.35696360
-0.00062914 -0.00007457 0.00036309
-0.00894819 -0.01367771 -0.00290005
19.41336591 2.24898435 25.43627272
0.00045527 0.00038881 -0.00085295
0.01467052 -0.01252169 -0.00233845
-9.56987509 2.98205124 2.13259585
-0.00002573 0.00019876 -0.00017545
0.00896178 0.00541789 -0.00073797
-7.85411749 4.97864036 0.94984650
0.00019583 -0.00001919 -0.00062103
0.00720197 -0.00882647 0.00053114
-6.61003239 14.88329704 -9.44387311
0.00028963 -0.00088266 0.00014968
-0.03019012 -0.01580825 -0.02221083
-9.48027520 13.82067261 -9.58173517
-0.00023638 0.00006965 0.00052458
0.02876074 0.00279631 -0.01645483
0.07589454 11.03788321 -8.17062519
-0.00021476 -0.00029471 -0.00058435
0.00691933 -0.00521364 -0.00263704
2.39094777 12.69333248 -7.83007041
0.00005187 0.00009147 -0.00031101
-0.00015315 -0.02943851 -0.02710234
-10.42255345 8.79807105 -13.71599035
0.00054100 -0.00029485 0.00037029
-0.00296505 0.00532550 0.00029062
-12.72734154 9.80021101 -12.00963855
0.00048699 -0.00008181 0.00045959
0.01622441 0.00341591 -0.04427585
7.14548247 6.07575264 14.85976166
-0.00025739 0.00069489 0.00101984
0.00540804 -0.02769611 0.01242518
7.46106743 4.25645553 12.88385697
-0.00091598 0.00015556 0.00001348
0.00445369 -0.02405754 -0.00542316
-14.11067838 10.72444558 -8.07055251
-0.00024359 0.00004160 -0.00073813
0.00146103 -0.01790467 -0.02238541
-16.45153256 9.52700958 -9.48609427
-0.00058273 0.00087222 -0.00039271
0.01696573 0.00239785 -0.00427206
8.87828997 9.83146206 -1.96634007
-0.00083896 -0.00016110 -0.00031855
0.00769141 -0.01672193 -0.01125601
6.86967130 8.85806601 -3.42088861
0.00099410 -0.00068361 -0.00177114
-0.05718863 0.00316554 -0.02039801
12.08417691 -20.51701719 -26.62824965
-0.00009665 0.00014090 -0.00057870
-0.00836341 0.00156902 -0.00318290
13.20865659 -19.68509623 -24.02103339
0.00031023 0.00025956 -0.00014577
0.01487444 -0.01275917 -0.01615699
5.68203718 4.65011281 2.68929175
-0.00100965 -0.00056607 -0.00045316
0.01744479 0.02199048 0.01645797
6.40726730 6.68632956 0.89817138
-0.00071096 0.00068072 0.00022270
0.00794331 0.01109966 0.01047074
20.49525042 -6.66750004 -5.43784803
0.00082481 -0.00017059 -0.00015069
-0.00505851 0.00225056 -0.00106087
18.09006190 -5.00287020 -5.31784119
-0.00031891 -0.00078855 -0.00041644
-0.01869512 0.01255364 0.01917765
-3.18881434 0.12921553 -1.35097562
0.00138763 -0.00055337 -0.00014750
-0.01061399 0.01002892 0.00059297
-1.96208808 0.83453660 -4.14383607
0.00002752 0.00075674 0.00024281
-0.01791059 -0.00441120 0.00324895
3.61200059 -3.36075909 -12.10754963
-0.00122229 0.00053875 0.00008154
-0.00211297 0.01466616 -0.00795025
0.79846206 -2.50534376 -11.48783119
-0.00016753 0.00048968 0.00058656
0.02658586 0.00690147 -0.02629053
20.44695400 8.21021146 -6.73796688
-0.00089071 -0.00074873 -0.00049361
-0.00173597 0.01412496 0.01496178
22.25392044 8.80337258 -4.52564792
0.00000468 -0.00112340 -0.00010595
0.00752273 -0.00311842 -0.00137314
-7.54975461 4.68249859 9.00516529
-0.00031908 -0.00007200 -0.00039461
0.00393182 0.00348059 0.00121402
-7.29912008 6.38417002 11.16324682
0.00009449 -0.00047134 0.00058418
-0.00155822 -0.00013211 0.05406954
-3.10375300 -16.34252558 11.97362841
0.00019860 -0.00017279 -0.00052487
0.00761243 -0.01279501 -0.00284872
-4.36307209 -13.88751495 11.84637464
0.00001448 0.00095829 -0.00002829
0.00749310 0.00844409 -0.00325553
8.08464558 0.13663316 -3.18140536
0.00049140 0.00006052 0.00115517
-0.00224452 0.00773197 0.00617457
7.63294150 2.10173266 -5.56040524
-0.00012323 0.00080730 -0.00024612
-0.00207068 0.01324536 0.00161110
1.03143107 -10.47539190 1.96499905
0.00076731 -0.00082888 -0.00078704
0.00429387 0.00232256 0.00379402
0.49079964 -8.32229502 -0.07305353
-0.00085078 0.00010376 0.00012239
-0.00289974 -0.01137027 0.01346828
-19.83285463 -1.51078582 6.60834190
-0.00011106 0.00044072 -0.00060433
-0.00451969 -0.00182630 0.00025850
-20.69801555 0.08301206 4.28627776
-0.00033657 -0.00048100 -0.00003123
-0.02090047 0.04008243 -0.00828799
-3.68727326 7.84959326 -24.92235940
-0.00058430 0.00081090 0.00048042
0.01651247 0.02298859 -0.00451683
-4.47794402 8.78181297 -22.10885737
-0.00017407 0.00044104 -0.00114700
0.01715519 0.02138376 0.00699792
3.44231196 0.88852718 -1.10047087
0.00146682 -0.00018728 0.00088399
-0.00291909 -0.00366664 -0.00102716
0.93088479 2.04231089 -2.13253714
0.00009772 0.00032285 -0.00040730
-0.01373614 -0.01978654 -0.00077141
16.28875705 7.67620023 6.31564910
-0.00004671 -0.00057225 0.00052419
0.00060910 -0.00450736 0.01972991
15.87616222 9.33406294 4.05966666
0.00008961 0.00089599 -0.00084417
-0.00779727 -0.02291877 0.00234247
-0.34593499 -11.82141082 -13.43093520
-0.00004530 0.00002824 0.00024536
0.00498777 -0.00421657 0.00098417
-13.92848431 14.55824903 22.09034650
-0.00002355 -0.00009445 0.00013872
0.00391541 -0.00090954 0.00120475
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02747562
0.32440322
432.25103041
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1371768524
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3189885883 (a.u.)
total exchange computation time: 2.6540248394 s
-153.8665694430
-931.34867353
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1371768524
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3188197689 (a.u.)
total exchange computation time: 2.6485090256 s
-153.8690947722
Anderson extrapolation: theta=1.3537591575 (1.3537591575)
-931.34893371
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1371768524
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3185038310 (a.u.)
total exchange computation time: 2.6497712135 s
-153.8731730279
Anderson extrapolation: theta=0.0520142241 (0.0520142241)
-931.34908884
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1371768524
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3184159407 (a.u.)
total exchange computation time: 2.6492240429 s
-153.8739698289
Anderson extrapolation: theta=1.8995032491 (1.8995032491)
-931.34909432
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1371768524
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3182258864 (a.u.)
total exchange computation time: 2.6498858929 s
-153.8756150255
Anderson extrapolation: theta=0.2126277938 (0.2126277938)
-931.34909952
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1371768524
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3181788578 (a.u.)
total exchange computation time: 2.6491899490 s
-153.8759671658
Anderson extrapolation: theta=1.8660344520 (1.8660344520)
-931.34910036
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1371768524
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3181091068 (a.u.)
total exchange computation time: 2.6518859863 s
-153.8764377670
Anderson extrapolation: theta=0.2825416528 (0.2825416528)
-931.34910123
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1371768524
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3181077327 (a.u.)
total exchange computation time: 2.6490540504 s
-153.8763917873
Anderson extrapolation: theta=1.3265206106 (1.3265206106)
-931.34910141
-209.217822 50.630382 -160.498555
-134.269774 459.538697 -798.448396
-343.487596 510.169078 -958.946951
1139.225821
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1371768524
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3181192592 (a.u.)
total exchange computation time: 2.6481578350 s
678.07222143
-1082.22642365
89.91418717
-390.10891536
-174.68205181
77.44916807
551.60419304
0.00000000
-931.34910148
-10.84058623 -4.22732149 6.73380174
-0.00019191 -0.00005825 0.00005130
0.00640290 -0.00220272 0.00312810
-14.18385888 3.48607615 9.47189537
0.00012680 0.00002452 -0.00016141
0.02438634 0.00007190 -0.01397230
-15.97399128 1.28516999 3.52339564
0.00005529 0.00022453 -0.00017804
-0.03505029 -0.01431557 -0.02665366
2.40523273 -19.80322175 12.81639783
0.00014893 -0.00006488 -0.00016221
0.01397840 0.01788173 0.04192707
9.55353328 20.42556937 0.86646090
0.00022844 -0.00007444 0.00041584
0.02085622 -0.01348806 -0.02226540
-11.79032949 12.66793903 15.07641851
-0.00058618 -0.00033742 -0.00001235
-0.00539826 0.03363765 0.00845928
-6.35833964 1.53563036 -12.12746698
0.00019590 -0.00023177 -0.00026909
0.00188568 0.04142723 -0.03619149
-7.39881786 7.81491043 -5.89281883
0.00006440 0.00006318 -0.00007490
-0.02598762 0.00402107 -0.01061024
-7.62597433 -4.47351368 17.87999686
-0.00008116 0.00034956 -0.00031700
-0.01441124 -0.00702038 0.01973455
-23.42314190 -4.85543748 -22.48995156
-0.00017452 -0.00039410 -0.00025813
-0.00083986 0.00091067 -0.02448853
6.64235323 12.78322111 6.07006483
-0.00004951 0.00003018 -0.00000296
-0.00645095 0.00666987 -0.03572853
24.66171207 30.33760617 -2.82898850
0.00013680 0.00013470 -0.00029373
-0.00616296 0.03635561 0.02098620
7.91172977 -1.29977674 -14.36228558
0.00002207 0.00015417 -0.00027250
-0.00054940 0.01525067 0.02521351
-7.13840607 -0.88934617 14.33015906
-0.00025060 -0.00007215 0.00018271
-0.02328456 -0.02613840 0.00131240
-1.96802900 -26.22593868 11.32118252
0.00013185 -0.00011926 0.00015035
0.01748513 0.00995536 -0.00636426
-14.25416090 -4.65468416 -7.08239270
0.00026940 0.00011232 0.00010946
0.00224790 0.00625132 -0.00462777
-20.02016151 -12.48436492 -17.89432386
-0.00001928 -0.00026098 0.00010528
0.05188869 0.00065604 0.03652677
22.63631901 3.60755812 3.08783576
0.00024239 0.00006024 -0.00022766
0.00630798 0.02359493 0.01104976
17.80305154 -10.03884361 -14.34597053
-0.00003772 -0.00029729 -0.00008934
-0.02694907 0.01338563 -0.00472119
-2.19220965 1.93659106 -7.19962035
0.00022873 -0.00015658 0.00039588
-0.01898921 -0.01318703 -0.00285126
-4.08738219 -3.02256934 -15.62863583
-0.00016290 -0.00008015 0.00004747
-0.02535641 -0.00259195 -0.00454090
13.40977355 17.17927166 -20.23276985
-0.00017115 0.00011014 0.00032573
-0.01928552 0.00416690 -0.01286351
-16.49212623 16.04748802 -12.07316038
0.00054429 0.00013881 0.00007108
-0.04532920 0.00327504 0.02571934
1.43629876 14.25506097 7.56327735
0.00062100 0.00027134 -0.00008910
0.03168895 -0.01661074 -0.01638962
-5.16552652 -9.58628738 2.05339747
-0.00020173 -0.00003560 0.00016086
-0.04406186 0.02119460 -0.00447031
3.09670814 -6.30616642 2.47204482
-0.00003114 -0.00041444 0.00013975
-0.00859160 0.08138302 0.01147200
10.85646562 4.83255242 4.64177008
0.00008193 0.00008848 -0.00039163
-0.01920059 0.01130380 -0.00222344
-8.54107855 -9.73814009 -2.58511148
0.00009667 0.00016295 -0.00042899
0.00463486 -0.04482099 0.03289448
3.11781643 -15.98235100 -13.26476712
0.00028661 -0.00015463 0.00010030
-0.01185440 0.03962186 -0.04761760
4.86673549 -8.46334695 -5.73784855
0.00005547 0.00015392 0.00030798
0.00247063 0.02128363 -0.05694741
18.55900299 0.72326724 24.84079307
0.00010008 0.00036152 -0.00024078
-0.01272022 0.02148411 0.00397604
-8.09739964 3.14813811 1.01332532
-0.00058434 -0.00006012 0.00026023
-0.00901852 0.01114305 0.00811436
-7.91866700 14.20441681 -10.65116003
0.00035162 0.00003656 0.00031187
0.00074937 0.00903341 0.03602350
1.67662949 11.35110424 -9.03726277
0.00009885 0.00008606 0.00027863
-0.00110410 0.03059775 0.02322383
-11.87508314 9.93115542 -13.80765622
0.00015428 0.00036048 -0.00021645
-0.01124760 -0.01394774 0.04447255
7.30013083 4.18426973 14.71717199
-0.00035008 0.00017593 -0.00003045
-0.01056973 0.06680978 -0.01407030
-14.58674836 9.43496494 -9.40596115
-0.00000004 -0.00029553 0.00049068
-0.02969901 0.00705983 0.02066050
8.51008538 8.38140306 -3.10094749
0.00002009 -0.00016963 -0.00002626
0.05179937 0.01038585 0.03585496
13.65719271 -20.37273197 -25.73489707
0.00020106 -0.00006281 0.00008736
-0.00903128 0.00319877 0.00290902
6.35064089 6.46616492 2.73355364
0.00010965 0.00032207 -0.00020444
-0.02993963 -0.04078989 -0.02223367
19.24644561 -5.77140267 -6.43583856
-0.00025832 0.00009030 -0.00037103
0.02672248 -0.02036302 -0.01130643
-1.75155211 0.11275459 -2.43800875
-0.00008001 -0.00013649 -0.00024329
0.03256821 -0.00688167 -0.01737302
2.43651656 -1.92398464 -12.44250309
-0.00006123 -0.00000018 0.00034315
-0.02919852 -0.02037409 0.03028482
20.63855389 9.33016383 -5.24216366
-0.00055984 0.00028331 0.00008553
-0.01453002 -0.02114130 -0.02915818
-7.47233607 6.48356923 9.43787506
0.00005259 -0.00001006 -0.00010460
-0.01346547 -0.00643821 -0.03815241
-2.68879329 -14.60796738 11.63992454
0.00007215 -0.00002264 -0.00035394
-0.01074014 0.00598737 0.01068103
8.15229829 0.45329530 -4.96150985
-0.00006369 -0.00007830 -0.00016535
0.01130615 -0.03931106 0.00962949
-0.00931597 -10.01422146 0.52531854
-0.00006887 -0.00010325 -0.00008482
-0.00652401 0.00205162 -0.02135367
-20.05546013 -1.48415488 4.74725504
-0.00017286 0.00028958 0.00017007
0.01886963 -0.04070256 0.00250381
-4.71027818 7.64391621 -23.45873654
0.00020384 -0.00009744 -0.00029192
-0.03731157 -0.03967667 0.00793116
2.57027019 2.42554226 -1.46554025
-0.00008574 -0.00029687 0.00040613
0.02328640 0.02319500 0.00443597
15.51115714 7.59058910 4.69665089
-0.00002121 -0.00035079 0.00000736
0.00616979 0.03841829 -0.03154104
-9.32010837 -4.96359620 7.42474520
-0.00059193 0.00096985 -0.00021966
-0.00379024 -0.00166693 -0.00402855
-10.59598685 -3.83741805 4.94865549
0.00031109 0.00077672 -0.00026708
0.00858028 -0.00721975 0.00591434
-12.99073329 4.82621978 9.00559246
0.00076774 -0.00030972 -0.00100516
-0.00943719 -0.00619496 0.00169254
-13.39086679 1.97556588 8.65162397
-0.00003545 0.00020498 0.00003121
-0.01207800 0.01983762 0.00742128
-14.74472460 1.11246350 4.77646304
-0.00070318 0.00137914 0.00066264
0.02288670 -0.00043087 0.03174986
-17.24051445 -0.08167307 3.98643854
-0.00041445 -0.00065983 0.00044294
0.01461833 0.02020949 -0.00553819
2.50101903 -21.17285148 11.66182951
0.00114776 0.00020611 0.00031765
0.00496892 -0.02149506 -0.01430655
3.55295771 -20.19483805 14.26500487
0.00043926 0.00006528 0.00110129
-0.01419968 0.00837561 -0.02812876
8.71783051 18.77331550 0.71655011
-0.00067179 0.00002185 0.00104500
-0.00617683 0.01370558 0.00627533
8.67629070 21.71296137 1.78955883
-0.00026028 -0.00050180 0.00034975
-0.02072163 -0.00240995 0.00593500
-10.56918934 12.30158855 16.37639915
-0.00042914 -0.00079632 0.00036652
0.00702425 -0.00694957 0.00878609
-12.58215239 14.25189672 15.72826227
-0.00003504 0.00008025 0.00072447
0.00908048 -0.01667910 -0.01412642
-5.77396515 0.21804368 -13.15828320
0.00079525 0.00032019 -0.00014268
0.01090789 -0.01989058 -0.01920760
-6.67432083 0.80913814 -10.56294318
-0.00024698 0.00037386 -0.00059883
-0.01297763 -0.02104058 0.04814187
-6.72941486 6.49626382 -4.86150104
0.00000529 -0.00069601 0.00007950
0.00244091 -0.00863667 0.00648608
-9.22473412 7.71241972 -5.54825869
-0.00020146 0.00032003 0.00048287
0.01746047 0.00079230 -0.00534415
-8.72639660 -3.42955066 18.96759163
-0.00021056 0.00052700 0.00091637
0.01564680 -0.01205962 -0.01184677
-7.69795467 -6.18957484 18.60669209
-0.00003800 -0.00012302 0.00010121
-0.00327148 0.01082502 -0.00298689
-23.21431243 -3.30838407 -23.48770703
0.00016162 -0.00054869 0.00101357
-0.00448001 -0.00325880 0.00712761
-23.40082992 -4.36224827 -20.76525224
0.00096539 -0.00034535 -0.00010434
-0.00063644 0.00555858 0.01027921
6.82310327 13.25386695 4.25340181
-0.00063378 0.00007835 0.00000968
-0.00520972 0.00017808 0.02186417
8.03433493 11.62983736 6.28090377
0.00057332 -0.00011925 0.00030822
0.01146973 -0.00909960 0.01397792
24.50141732 28.74873645 -2.03045724
0.00045798 0.00020548 -0.00039811
0.00209548 -0.02356141 0.00503010
23.77939143 31.51979471 -1.61648715
-0.00008066 0.00047686 0.00027087
0.01464536 -0.00789700 -0.01204978
9.43720485 -2.41872663 -14.24224447
0.00027541 0.00044303 -0.00149799
-0.01081677 0.00482661 -0.00207643
7.46322657 -0.65616159 -12.67230394
0.00121347 -0.00053557 -0.00060726
0.00254716 -0.01862257 -0.01867466
-7.37073610 -0.37066768 16.06603262
-0.00008968 0.00101591 0.00057566
0.00908329 0.01455958 0.00526955
-8.29031168 -2.36678753 14.36542842
-0.00133365 -0.00061504 -0.00143825
0.01907950 0.01400854 -0.00821190
-2.52955414 -26.77438372 13.02379148
0.00034618 0.00055374 -0.00028769
-0.00582689 -0.00022494 -0.01041183
-3.17332491 -25.96897617 9.95361685
0.00016148 0.00044841 -0.00041949
-0.00255116 -0.00432893 0.01033873
-13.84928699 -2.95914395 -6.45366726
-0.00085705 0.00060171 0.00056074
-0.00770403 -0.00130712 0.00009883
-15.02302100 -4.46892543 -8.74134594
0.00007404 -0.00007647 0.00032842
0.00411230 -0.00262563 0.00032364
-18.71798789 -11.57332930 -16.73236296
-0.00071364 0.00130786 0.00096336
-0.03084318 -0.01037589 -0.02911349
-18.85546995 -13.91192317 -18.28411479
-0.00018472 0.00023774 -0.00014959
-0.01045664 0.01293436 -0.00415387
23.18206624 3.59705101 1.34390275
0.00079674 -0.00144217 0.00000417
0.00349170 -0.01110177 -0.00784373
23.13606432 5.30242248 3.62397172
-0.00068304 -0.00010180 0.00097886
-0.00774878 -0.01232776 0.00685641
16.30333396 -9.55983603 -13.20956489
-0.00070685 -0.00087936 0.00042956
0.02780952 -0.00506654 -0.02932047
17.53877203 -9.43350062 -16.13439000
-0.00067181 -0.00105462 -0.00001848
-0.00349228 -0.00711898 0.03377219
-0.60091504 2.55919634 -7.84283646
0.00026300 -0.00006163 -0.00060734
0.00985318 -0.00758080 -0.00932953
-2.68105197 0.46004829 -8.24056752
0.00107054 -0.00119691 0.00095913
0.00690617 0.01943204 0.01164244
-5.73805572 -3.04134248 -16.51758472
-0.00037792 -0.00061772 -0.00045153
0.02451582 -0.00075904 0.00905525
-3.04662745 -1.99024593 -16.71665725
-0.00048919 0.00043056 0.00016627
-0.00301801 0.00528898 -0.00378268
12.80125877 18.62097440 -21.23120146
-0.00003659 0.00080387 0.00045447
0.01313051 0.00245891 0.00903503
11.81404149 16.24105146 -20.42101451
0.00051566 0.00005878 0.00082975
0.00840139 -0.01025314 0.00461889
-15.39943747 15.46139097 -13.31738388
0.00038666 -0.00026320 -0.00151031
0.03769827 -0.00924629 -0.03197388
-17.97183156 15.02356672 -12.61078030
-0.00022583 -0.00003351 -0.00030038
0.00727964 0.00571214 0.01612837
2.56880248 15.17431327 6.45815579
0.00036715 0.00052021 0.00001173
0.00650806 -0.01653064 -0.01800769
0.56850415 15.64792760 8.13327485
0.00088337 0.00066511 -0.00000436
-0.04389457 0.03573482 0.02909043
-6.46305035 -8.33032608 1.29370579
-0.00019239 -0.00007784 -0.00050587
0.04607373 -0.02763447 0.02072336
-3.44413780 -9.14139231 1.60649972
-0.00013990 -0.00072108 0.00053986
0.00313904 0.00246337 -0.00968079
2.58889987 -4.36764698 2.81859957
-0.00049315 -0.00003683 -0.00029359
0.01227245 -0.06484861 -0.00253051
4.52889245 -5.96794371 1.36999847
-0.00051524 -0.00013231 -0.00000888
0.00336415 -0.01384483 0.00106691
9.31294274 5.88099872 4.26310182
-0.00083806 0.00005860 0.00032276
0.02165746 -0.01608597 0.00079582
12.27422768 6.00255826 4.70742947
-0.00040655 0.00042372 0.00000612
0.00165343 0.00300544 0.00327520
-7.69450343 -11.38487070 -1.97945271
-0.00006502 0.00062841 0.00006580
-0.00811183 0.03828791 -0.02635974
-9.88305014 -9.63611892 -1.30135713
0.00053245 -0.00012837 0.00026263
0.00242066 0.01065576 -0.01276734
4.59853296 -16.81021576 -13.82440509
-0.00049024 0.00105390 -0.00189552
0.01689612 -0.01121142 0.00022712
2.72431641 -16.61353755 -11.69951431
0.00028532 0.00018647 0.00142755
-0.00773831 -0.02676193 0.04843886
5.96540985 -6.95744091 -6.13820222
-0.00053954 -0.00035656 -0.00043590
-0.01634840 -0.01678520 0.01700876
4.87386721 -8.82051384 -4.03196803
-0.00019970 0.00047939 0.00081950
0.00593056 -0.00109582 0.04561884
16.99754089 1.60781905 24.36232102
-0.00066170 -0.00013129 0.00035234
-0.00699130 -0.01408544 -0.00235788
19.42064451 2.25443287 25.42340682
0.00051437 0.00033821 -0.00086280
0.01426086 -0.01224980 -0.00248203
-9.56998643 2.98519860 2.12994149
0.00000300 0.00022103 -0.00017262
0.00510241 0.00548464 0.00212279
-7.85095941 4.97808207 0.94054726
0.00022396 -0.00005785 -0.00061759
0.00656820 -0.01009913 0.00115448
-6.60661300 14.86957268 -9.44230845
0.00017070 -0.00094425 0.00006299
-0.02803070 -0.01433978 -0.02022553
-9.48293954 13.82180308 -9.57437064
-0.00011456 0.00008192 0.00045450
0.03086988 0.00321092 -0.01785148
0.07288525 11.03330274 -8.17947128
-0.00018651 -0.00031525 -0.00059319
0.00690700 -0.00483922 -0.00169119
2.39172118 12.69380248 -7.83556611
0.00005126 -0.00002652 -0.00041806
-0.00014887 -0.02831984 -0.02530000
-10.41452927 8.79381150 -13.71042707
0.00052147 -0.00026684 0.00036965
-0.00659429 0.00838575 -0.00060669
-12.71953955 9.79908849 -12.00410149
0.00055304 -0.00006661 0.00027535
0.01610779 0.00402511 -0.04590855
7.14178728 6.08532729 14.87544007
-0.00023439 0.00057487 0.00106718
0.00585224 -0.03105436 0.01074656
7.44746426 4.25805167 12.88389299
-0.00089758 0.00005903 -0.00000944
0.00455343 -0.02319497 -0.00579493
-14.11428744 10.72452093 -8.08231045
-0.00023542 -0.00002641 -0.00082308
0.00253811 -0.01538570 -0.01919743
-16.45975358 9.54016633 -9.49211580
-0.00050486 0.00088065 -0.00040953
0.02114884 0.00172709 -0.00396041
8.86594130 9.82853308 -1.97146321
-0.00080681 -0.00022587 -0.00036137
0.00804650 -0.01498105 -0.00970699
6.88283029 8.84790893 -3.44808075
0.00074875 -0.00066701 -0.00185847
-0.06290743 0.00495893 -0.02235199
12.08247089 -20.51485565 -26.63702762
-0.00012280 0.00014818 -0.00058629
-0.00443868 0.00199820 -0.00053462
13.21376579 -19.68159381 -24.02371507
0.00036965 0.00020761 -0.00020999
0.01421251 -0.01266801 -0.01527816
5.66742697 4.64229555 2.68299869
-0.00093324 -0.00046567 -0.00038578
0.01995768 0.02715824 0.01652313
6.39684633 6.69688055 0.90183273
-0.00067773 0.00072650 0.00025953
0.00832129 0.01130984 0.00755679
20.50746761 -6.66998998 -5.44014083
0.00079321 -0.00015379 -0.00016285
-0.01041179 0.00597664 -0.00489360
18.08470538 -5.01431380 -5.32350018
-0.00039895 -0.00073483 -0.00033397
-0.02048316 0.01374467 0.02119585
-3.16832520 0.12122223 -1.35316993
0.00132818 -0.00051157 -0.00013356
-0.01848627 0.01043511 0.00623040
-1.96222408 0.84575256 -4.14009441
-0.00004633 0.00073871 0.00025484
-0.01824280 -0.00441622 0.00264069
3.59360145 -3.35222850 -12.10657019
-0.00122107 0.00058788 0.00005189
0.00271140 0.00938793 -0.00656402
0.79676379 -2.49778703 -11.47983845
-0.00005894 0.00051763 0.00047888
0.02657021 0.00677661 -0.02641859
20.43354008 8.19941339 -6.74491254
-0.00089695 -0.00068241 -0.00042217
-0.00131561 0.01833928 0.02000784
22.25422123 8.78642602 -4.52727923
0.00002603 -0.00113181 -0.00011492
0.00292672 -0.00099686 -0.00301686
-7.55442026 4.68152520 8.99928334
-0.00030276 -0.00005603 -0.00038893
0.00405653 0.00434058 0.00156656
-7.29775050 6.37709582 11.17366642
0.00008657 -0.00047153 0.00078806
-0.00231999 0.00004220 0.04573114
-3.10054075 -16.34550953 11.96566806
0.00022831 -0.00022242 -0.00053685
0.00693306 -0.01149702 -0.00301322
-4.36262535 -13.87288192 11.84585052
0.00005137 0.00098771 -0.00004212
0.01056717 0.00596052 -0.00351448
8.09194785 0.13777790 -3.16388867
0.00048326 0.00009539 0.00116025
-0.00174105 0.00933669 -0.00368417
7.63102960 2.11424811 -5.56404769
-0.00012823 0.00085129 -0.00023643
-0.00037558 0.00828394 0.00313514
1.04307234 -10.48775387 1.95330966
0.00078367 -0.00081830 -0.00077192
0.00371233 0.00285302 0.00360699
0.47794907 -8.32108697 -0.07080497
-0.00086132 0.00005838 0.00017679
-0.00226039 -0.01084364 0.01315918
-19.83465905 -1.50423101 6.59928484
-0.00012855 0.00043311 -0.00059410
-0.00404107 -0.00189666 0.00475183
-20.70370450 0.07702529 4.28555540
-0.00042592 -0.00030837 -0.00006771
-0.02283939 0.04442298 -0.00956912
-3.69553176 7.86246121 -24.91529145
-0.00050849 0.00090577 0.00044757
0.02059540 0.02344843 -0.01156465
-4.48002935 8.78908382 -22.12584790
-0.00010452 0.00053171 -0.00111330
0.01689022 0.02300128 0.00949832
3.46422487 0.88560557 -1.08724243
0.00144644 -0.00019237 0.00087573
-0.00706005 0.00117827 -0.00301763
0.93192965 2.04654735 -2.13867025
0.00004323 0.00023921 -0.00040989
-0.01293697 -0.02115622 -0.00049928
16.28807514 7.66747836 6.32411659
-0.00004729 -0.00058906 0.00059672
-0.00089763 -0.00371887 0.01577286
15.87726750 9.34680044 4.04707591
0.00005559 0.00078648 -0.00082684
-0.00885968 -0.03068526 0.00613840
-0.34660108 -11.82099849 -13.42725214
-0.00004351 0.00002676 0.00024569
0.00498738 -0.00408337 0.00082865
-13.92883076 14.55683076 22.09242945
-0.00002266 -0.00009466 0.00013901
0.00379204 -0.00093407 0.00126220
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02745173
0.32164975
428.58216144
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1366576528
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3042276041 (a.u.)
total exchange computation time: 2.7088460922 s
-153.8108245846
-931.34623484
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1366576528
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3042418900 (a.u.)
total exchange computation time: 2.7058460712 s
-153.8121334218
Anderson extrapolation: theta=1.3686996832 (1.3686996832)
-931.34650467
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1366576528
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3042156810 (a.u.)
total exchange computation time: 2.7060570717 s
-153.8143681892
Anderson extrapolation: theta=0.0581653035 (0.0581653035)
-931.34666968
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1366576528
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3041754597 (a.u.)
total exchange computation time: 2.7097029686 s
-153.8149154296
Anderson extrapolation: theta=2.1069748644 (2.0000000000)
-931.34667684
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1366576528
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3040874596 (a.u.)
total exchange computation time: 2.7070801258 s
-153.8160532469
Anderson extrapolation: theta=0.2956563175 (0.2956563175)
-931.34668489
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1366576528
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3040681519 (a.u.)
total exchange computation time: 2.7060229778 s
-153.8163037819
Anderson extrapolation: theta=1.5040311838 (1.5040311838)
-931.34668655
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1366576528
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3040611892 (a.u.)
total exchange computation time: 2.7080879211 s
-153.8164576377
Anderson extrapolation: theta=0.3602773910 (0.3602773910)
-931.34668799
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1366576528
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3040794357 (a.u.)
total exchange computation time: 2.7093431950 s
-153.8163084214
Anderson extrapolation: theta=1.0321109657 (1.0321109657)
-931.34668832
-209.237578 50.653170 -160.502449
-134.278277 459.564272 -798.473428
-343.515855 510.217442 -958.975877
1139.280349
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1366576528
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3041118602 (a.u.)
total exchange computation time: 2.7078411579 s
677.87397262
-1081.78486486
89.92395904
-390.40923357
-174.64640977
77.20189271
551.60419304
0.00000000
-931.34668841
-10.84344025 -4.22820370 6.73458337
-0.00018989 -0.00005847 0.00005117
0.00148873 0.00132211 -0.00365738
-14.18186276 3.48644429 9.46942026
0.00013969 0.00002538 -0.00016865
0.02573517 0.00324115 -0.01416387
-15.97329716 1.28848270 3.52062225
0.00003645 0.00021614 -0.00019142
-0.03819090 -0.01829223 -0.02537206
2.40752054 -19.80412595 12.81412635
0.00015696 -0.00005528 -0.00013878
0.01725703 0.01942488 0.04920719
9.55704032 20.42440073 0.87261261
0.00023869 -0.00008192 0.00040440
0.01899919 -0.01560475 -0.02221352
-11.79914303 12.66300749 15.07626591
-0.00058831 -0.00031980 -0.00000704
-0.00287272 0.03485950 0.01220388
-6.35539393 1.53231368 -12.13164290
0.00019682 -0.00020959 -0.00028822
0.00172428 0.04481931 -0.03821714
-7.39795206 7.81587364 -5.89398333
0.00005102 0.00006422 -0.00007948
-0.02605557 0.00003715 -0.00716890
-7.62724732 -4.46829736 17.87531799
-0.00008943 0.00034573 -0.00030550
-0.01773505 -0.00788200 0.02497106
-23.42576300 -4.86134552 -22.49391798
-0.00017508 -0.00039438 -0.00026933
-0.00132135 -0.00197501 -0.01904589
6.64158565 12.78369954 6.06988257
-0.00005207 0.00003287 -0.00002092
-0.00347983 0.00379042 -0.03410046
24.66374023 30.33976691 -2.83331342
0.00013319 0.00015410 -0.00028257
-0.00785824 0.03908240 0.02237385
7.91205877 -1.29740538 -14.36627585
0.00002208 0.00016161 -0.00026099
0.00057962 0.01368719 0.01956820
-7.14225495 -0.89052928 14.33290480
-0.00026350 -0.00008619 0.00018395
-0.02685514 -0.02844598 0.00349703
-1.96598377 -26.22768922 11.32341322
0.00014076 -0.00011364 0.00014537
0.01716999 0.01189304 -0.01299195
-14.25011127 -4.65297528 -7.08076872
0.00027075 0.00011606 0.00010756
0.00302612 0.00829037 -0.00275537
-20.02025058 -12.48827709 -17.89260382
0.00000706 -0.00025945 0.00012457
0.05052689 0.00528636 0.03849743
22.63997924 3.60855279 3.08446343
0.00024533 0.00007188 -0.00022156
0.00512141 0.02166438 0.01269777
17.80238183 -10.04325128 -14.34732883
-0.00005213 -0.00029046 -0.00009091
-0.02907861 0.01314487 -0.00138526
-2.18885188 1.93419151 -7.19369317
0.00021972 -0.00016344 0.00039374
-0.01608097 -0.01350437 -0.00544753
-4.08992344 -3.02378163 -15.62794127
-0.00017640 -0.00008145 0.00004477
-0.02717614 -0.00244484 -0.00597241
13.40713198 17.18093987 -20.22793359
-0.00018019 0.00011338 0.00031894
-0.01587585 0.00843549 -0.01352334
-16.48413672 16.04958285 -12.07199492
0.00052200 0.00013888 0.00008187
-0.04136436 -0.00300982 0.01620670
1.44573596 14.25906693 7.56187768
0.00063670 0.00026347 -0.00009711
0.02938117 -0.01397325 -0.01478250
-5.16872237 -9.58673962 2.05579319
-0.00022484 -0.00002483 0.00015855
-0.04582057 0.02070457 -0.00452148
3.09620785 -6.31206908 2.47418524
-0.00003607 -0.00037230 0.00014587
-0.01056680 0.08246828 0.01233008
10.85762047 4.83392323 4.63588709
0.00007111 0.00009452 -0.00039274
-0.02286380 0.01219241 -0.00209292
-8.53961057 -9.73586872 -2.59141945
0.00009869 0.00014021 -0.00041180
0.00319445 -0.04359321 0.03394993
3.12206988 -15.98451761 -13.26344624
0.00027842 -0.00013449 0.00007883
-0.02000548 0.03871207 -0.03590234
4.86757706 -8.46095602 -5.73344853
0.00005611 0.00016373 0.00028009
0.00003184 0.01683621 -0.05149237
18.56045508 0.72877284 24.83719672
0.00009306 0.00037261 -0.00023890
-0.01457254 0.02167809 0.00333138
-8.10619952 3.14727936 1.01726011
-0.00058793 -0.00005405 0.00026338
-0.00494864 0.01245449 0.00413222
-7.91338977 14.20500005 -10.64634307
0.00035087 0.00004063 0.00033001
-0.00367673 0.00681073 0.03451559
1.67810795 11.35251317 -9.03299371
0.00009822 0.00010123 0.00028978
-0.00132374 0.02837514 0.02010813
-11.87281238 9.93650888 -13.81073135
0.00014941 0.00035243 -0.00019309
-0.00766757 -0.01738622 0.04636455
7.29483892 4.18716646 14.71666095
-0.00035562 0.00021068 -0.00003719
-0.01098695 0.06830780 -0.01212341
-14.58686351 9.43055917 -9.39852131
-0.00001659 -0.00029253 0.00050027
-0.03464301 0.00460154 0.01665290
8.51058646 8.37889863 -3.10120308
0.00004730 -0.00016508 -0.00000793
0.05401530 0.00732169 0.03541359
13.66017379 -20.37366171 -25.73357542
0.00019558 -0.00006134 0.00008785
-0.01227351 0.00248993 -0.00100554
6.35217015 6.47083865 2.73040133
0.00009365 0.00029990 -0.00021501
-0.03229353 -0.04541277 -0.01889640
19.24267387 -5.77012678 -6.44144762
-0.00024307 0.00007881 -0.00037621
0.03256574 -0.02431385 -0.00884128
-1.75262664 0.11068069 -2.44172504
-0.00006130 -0.00014010 -0.00025343
0.04017201 -0.00713949 -0.02205998
2.43548549 -1.92406600 -12.43723909
-0.00007744 -0.00000907 0.00035828
-0.03385314 -0.01418552 0.02858294
20.63010029 9.33433196 -5.24099314
-0.00056611 0.00027101 0.00006990
-0.00984878 -0.02669176 -0.03164409
-7.47159923 6.48339349 9.43615893
0.00004585 -0.00001362 -0.00012173
-0.01273443 -0.00740577 -0.02847336
-2.68775250 -14.60828385 11.63465664
0.00006606 -0.00001936 -0.00034829
-0.01294436 0.00677270 0.01127548
8.15138651 0.45196912 -4.96395291
-0.00005839 -0.00009757 -0.00015851
0.00930652 -0.03560314 0.01696743
-0.01037420 -10.01576229 0.52396386
-0.00007222 -0.00010263 -0.00009552
-0.00648359 0.00034266 -0.02026379
-20.05798023 -1.47996822 4.74981579
-0.00016290 0.00026806 0.00017036
0.01987580 -0.04298713 -0.00137948
-4.70736445 7.64230157 -23.46308469
0.00018383 -0.00011828 -0.00028656
-0.04051701 -0.04135684 0.01288721
2.56907385 2.42117861 -1.45943111
-0.00007305 -0.00028585 0.00040880
0.02609328 0.01968243 0.00591984
15.51086282 7.58547542 4.69663964
-0.00001738 -0.00032955 -0.00000864
0.00872822 0.04418992 -0.03067234
-9.32910347 -4.94909949 7.42132679
-0.00059568 0.00095748 -0.00023019
0.00195617 -0.00439047 -0.00112557
-10.59105755 -3.82598844 4.94483053
0.00034467 0.00074534 -0.00023562
0.00785388 -0.00814198 0.00948509
-12.97950635 4.82138410 8.99056685
0.00072538 -0.00033758 -0.00099615
-0.01130121 -0.00744106 0.00271807
-13.39176860 1.97924853 8.65231953
-0.00008371 0.00028204 0.00006015
-0.01154777 0.01788154 0.00674411
-14.75457097 1.13313738 4.78737558
-0.00061037 0.00137784 0.00079171
0.02254170 -0.00020399 0.03143179
-17.24628331 -0.09095125 3.99291291
-0.00034841 -0.00056965 0.00041772
0.01770927 0.02393260 -0.00680784
2.51838776 -21.17041857 11.66615581
0.00116847 0.00011297 0.00025452
0.00516742 -0.02409518 -0.01659211
3.55911148 -20.19360217 14.28066230
0.00037375 0.00010201 0.00097645
-0.01786539 0.00960090 -0.03298099
8.70756442 18.77406328 0.73241738
-0.00069352 0.00007980 0.00106951
-0.00446195 0.01466112 0.00572366
8.67175148 21.70536047 1.79498701
-0.00034430 -0.00050888 0.00037505
-0.02040707 -0.00105251 0.00644661
-10.57541124 12.28943077 16.38216620
-0.00040541 -0.00082325 0.00039657
0.00459254 -0.00623153 0.00592260
-12.58239974 14.25258938 15.73869645
0.00000286 0.00000910 0.00066476
0.00947046 -0.01814940 -0.01510073
-5.76170209 0.22223706 -13.16101200
0.00084115 0.00023554 -0.00022256
0.01156046 -0.02154609 -0.01989581
-6.67842326 0.81410126 -10.57045041
-0.00030098 0.00028424 -0.00039610
-0.01345576 -0.02283013 0.05109789
-6.72926065 6.48555903 -4.86010974
0.00001143 -0.00072340 0.00009977
0.00056109 -0.00476917 0.00343523
-9.22722101 7.71724442 -5.54117941
-0.00012623 0.00032344 0.00046005
0.01936740 0.00087900 -0.00582829
-8.72907561 -3.42201518 18.98097421
-0.00014024 0.00047197 0.00086057
0.01877731 -0.01487622 -0.01546792
-7.69862497 -6.19108847 18.60811873
-0.00005105 -0.00007195 0.00008585
-0.00311700 0.01417679 -0.00453333
-23.21202545 -3.31671434 -23.47228505
0.00014463 -0.00055359 0.00103418
-0.00383608 0.00086033 0.00295934
-23.38636864 -4.36725812 -20.76650240
0.00096243 -0.00032536 -0.00006497
-0.00081053 0.00422354 0.00899521
6.81343690 13.25504770 4.25421704
-0.00065369 0.00007859 0.00009785
-0.00453351 -0.00006182 0.02129372
8.04328617 11.62776974 6.28595542
0.00061272 -0.00015009 0.00036312
0.00781901 -0.00599359 0.01289454
24.50835119 28.75109666 -2.03627470
0.00046625 0.00010789 -0.00037628
0.00195659 -0.02420743 0.00565269
23.77863034 31.52670561 -1.61279339
-0.00001814 0.00044026 0.00021692
0.01595920 -0.01001691 -0.01435543
9.44100451 -2.41193327 -14.26477797
0.00023180 0.00046168 -0.00150531
-0.01053162 0.00430045 -0.00150730
7.48150660 -0.66476574 -12.68198511
0.00122055 -0.00060751 -0.00067255
0.00092189 -0.01659597 -0.01328365
-7.37180302 -0.35498282 16.07482899
-0.00005384 0.00106822 0.00058692
0.00846526 0.01104585 0.00024183
-8.30973172 -2.37558391 14.34360309
-0.00124720 -0.00054534 -0.00146679
0.02323752 0.02011371 -0.00575945
-2.52454000 -26.76608458 13.01915712
0.00031864 0.00055030 -0.00032297
-0.00765149 -0.00145482 -0.00685973
-3.17098094 -25.96238261 9.94764131
0.00015488 0.00042950 -0.00037172
-0.00067693 -0.00493204 0.01304636
-13.86237880 -2.95015840 -6.44525310
-0.00088903 0.00059213 0.00055930
-0.00795285 -0.00338311 -0.00080549
-15.02178440 -4.47015300 -8.73640978
0.00009012 -0.00008682 0.00032753
0.00376130 -0.00243648 -0.00075640
-18.72963755 -11.55402932 -16.71880474
-0.00084126 0.00125904 0.00083918
-0.03162970 -0.01352287 -0.03167043
-18.85856111 -13.90796072 -18.28648592
-0.00022260 0.00028774 -0.00016589
-0.00808780 0.01154047 -0.00382386
23.19412427 3.57507831 1.34372501
0.00081235 -0.00148368 -0.00002765
0.00415270 -0.00922015 -0.00773477
23.12558121 5.30051777 3.63886471
-0.00071344 -0.00015174 0.00100314
-0.00712788 -0.01211787 0.00502934
16.29358345 -9.57318164 -13.20401997
-0.00058877 -0.00090049 0.00030631
0.02998676 -0.00527904 -0.03101205
17.52858790 -9.44953811 -16.13363236
-0.00068625 -0.00108212 0.00011668
-0.00357899 -0.00633913 0.03238952
-0.59666806 2.55803964 -7.85223241
0.00029788 -0.00009436 -0.00064226
0.00721973 -0.00844310 -0.00776438
-2.66478224 0.44269004 -8.22582376
0.00109810 -0.00111498 0.00100834
0.00658609 0.02067378 0.01244452
-5.74297329 -3.05063154 -16.52408026
-0.00027359 -0.00062072 -0.00041185
0.02655296 -0.00071104 0.01036871
-3.05405783 -1.98362548 -16.71427911
-0.00050178 0.00045195 0.00015095
-0.00314189 0.00517991 -0.00371836
12.80111229 18.63310785 -21.22410757
0.00001733 0.00080803 0.00049424
0.01326505 -0.00042522 0.01043325
11.82203390 16.24161899 -20.40842673
0.00054279 0.00001416 0.00084693
0.00487613 -0.01158752 0.00379239
-15.39248242 15.45715968 -13.34101826
0.00052497 -0.00029346 -0.00162405
0.03000847 -0.00556781 -0.02370286
-17.97499596 15.02323907 -12.61479179
-0.00018836 -0.00000513 -0.00023170
0.01106039 0.00818149 0.01749241
2.57450915 15.18160980 6.45777995
0.00039515 0.00045282 -0.00006311
0.00719779 -0.01645641 -0.01862693
0.58040969 15.65899921 8.13410090
0.00070716 0.00080522 0.00011279
-0.04236439 0.03284979 0.02825452
-6.46452435 -8.33234056 1.28675283
-0.00000306 -0.00019101 -0.00042020
0.04660418 -0.02775873 0.02121036
-3.44614011 -9.15213302 1.61430091
-0.00012468 -0.00070987 0.00049938
0.00431007 0.00302579 -0.01013425
2.58187867 -4.37018654 2.81411813
-0.00044199 -0.00030381 -0.00030336
0.01277191 -0.06584152 -0.00224919
4.52126692 -5.97035263 1.36989797
-0.00049828 -0.00018863 -0.00000686
0.00493747 -0.01372134 -0.00007880
9.30103552 5.88138484 4.26796763
-0.00074420 -0.00001004 0.00032609
0.02428451 -0.01751291 0.00083478
12.26818016 6.00900617 4.70762163
-0.00039807 0.00043725 0.00001921
0.00249626 0.00361735 0.00313496
-7.69572726 -11.37427128 -1.97927352
-0.00009546 0.00078082 -0.00004216
-0.00678833 0.03631637 -0.02648344
-9.87498928 -9.63771791 -1.29780885
0.00054219 -0.00008361 0.00020873
0.00235073 0.01125120 -0.01361920
4.59169704 -16.79475079 -13.85283091
-0.00041434 0.00100261 -0.00189434
0.02026044 -0.01389452 0.00035178
2.72835910 -16.61156064 -11.67661678
0.00026313 0.00008463 0.00160122
-0.00312305 -0.02308553 0.03657379
5.95681573 -6.96330371 -6.14421959
-0.00060165 -0.00041953 -0.00036645
-0.01405120 -0.01403968 0.01699001
4.87105345 -8.81335655 -4.01827765
-0.00017506 0.00047820 0.00099460
0.00612887 0.00051085 0.04009259
16.98740115 1.60541808 24.36753394
-0.00068501 -0.00019047 0.00034452
-0.00441796 -0.01488396 -0.00147146
19.42879709 2.25913064 25.41038881
0.00057168 0.00028905 -0.00087321
0.01379246 -0.01181535 -0.00261681
-9.56978506 2.98868209 2.12741723
0.00001529 0.00024373 -0.00015816
0.00091341 0.00563029 0.00495716
-7.84739879 4.97690485 0.93131878
0.00024943 -0.00010139 -0.00061160
0.00589955 -0.01121242 0.00177712
-6.60491150 14.85496948 -9.44198333
0.00006214 -0.00099916 -0.00001425
-0.02510909 -0.01253688 -0.01758451
-9.48371199 13.82313033 -9.56810016
0.00001452 0.00009559 0.00037955
0.03231537 0.00347806 -0.01883653
0.07029925 11.02842569 -8.18842101
-0.00015854 -0.00033423 -0.00059805
0.00678206 -0.00445171 -0.00068728
2.39248546 12.69253686 -7.84261235
0.00005118 -0.00013866 -0.00051670
0.00011208 -0.02657266 -0.02298013
-10.40690923 8.79006588 -13.70490096
0.00048790 -0.00022691 0.00036531
-0.00984266 0.01116105 -0.00151785
-12.71075038 9.79821265 -12.00137800
0.00061799 -0.00004902 0.00008596
0.01568451 0.00458521 -0.04679845
7.13845075 6.09299873 14.89177711
-0.00020976 0.00044289 0.00110756
0.00620594 -0.03355291 0.00902010
7.43414016 4.25822628 12.88357386
-0.00087880 -0.00003378 -0.00003357
0.00463840 -0.02223427 -0.00601849
-14.11774095 10.72365335 -8.09524492
-0.00022258 -0.00008311 -0.00089413
0.00374464 -0.01236905 -0.01558269
-16.46667847 9.55342893 -9.49838004
-0.00041123 0.00088623 -0.00042497
0.02468508 0.00100519 -0.00360163
8.85408577 9.82468597 -1.97718125
-0.00077333 -0.00028255 -0.00039727
0.00834286 -0.01276668 -0.00786433
6.89213393 8.83805577 -3.47664276
0.00048688 -0.00064479 -0.00195246
-0.06528109 0.00591503 -0.02365755
12.08049285 -20.51257166 -26.64583835
-0.00013302 0.00015717 -0.00058300
-0.00056428 0.00239966 0.00214644
13.21974601 -19.67886778 -24.02733310
0.00042602 0.00015655 -0.00026951
0.01338006 -0.01233101 -0.01385902
5.65403990 4.63614273 2.67771828
-0.00084730 -0.00034614 -0.00031837
0.02211416 0.03135329 0.01647453
6.38693534 6.70812468 0.90595721
-0.00064308 0.00077311 0.00028399
0.00864092 0.01150401 0.00441556
20.51904670 -6.67211364 -5.44273355
0.00074081 -0.00012263 -0.00018971
-0.01523737 0.00927488 -0.00825636
18.07809353 -5.02491505 -5.32786016
-0.00048449 -0.00067751 -0.00024501
-0.02139348 0.01431471 0.02235043
-3.14896901 0.11386846 -1.35498240
0.00123749 -0.00046830 -0.00009678
-0.02590361 0.01074389 0.01177583
-1.96347810 0.85669788 -4.13619091
-0.00012139 0.00072073 0.00026427
-0.01849672 -0.00438654 0.00197747
3.57536848 -3.34312256 -12.10599304
-0.00119929 0.00061415 0.00002817
0.00795004 0.00346705 -0.00504435
0.79669391 -2.48981499 -11.47346480
0.00004863 0.00054477 0.00037138
0.02608594 0.00651176 -0.02620366
20.42004553 8.18973927 -6.75063199
-0.00090167 -0.00060017 -0.00033194
-0.00099619 0.02191695 0.02416280
22.25470138 8.76941837 -4.52909544
0.00002878 -0.00113137 -0.00013042
-0.00158175 0.00121103 -0.00457317
-7.55883731 4.68081782 8.99349740
-0.00028594 -0.00003698 -0.00038182
0.00417766 0.00498067 0.00191409
-7.29652311 6.37002421 11.18688870
0.00007519 -0.00047073 0.00095456
-0.00324802 0.00034985 0.03577051
-3.09690361 -16.34919808 11.95752305
0.00025528 -0.00026610 -0.00054956
0.00626988 -0.00988421 -0.00321167
-4.36153098 -13.85788359 11.84511100
0.00010017 0.00100703 -0.00005695
0.01332049 0.00349710 -0.00374646
8.09914342 0.13949485 -3.14659776
0.00047696 0.00013629 0.00112674
-0.00134136 0.01068430 -0.01271877
7.62909469 2.12727125 -5.56749800
-0.00012631 0.00087489 -0.00022067
0.00131215 0.00326949 0.00457540
1.05494113 -10.49994099 1.94184134
0.00079721 -0.00080545 -0.00075800
0.00291819 0.00343929 0.00320960
0.46495996 -8.32054349 -0.06774993
-0.00086908 0.00001590 0.00022957
-0.00153550 -0.00995293 0.01267849
-19.83671113 -1.49779243 6.59051899
-0.00014405 0.00042533 -0.00056541
-0.00354637 -0.00191114 0.00928907
-20.71079319 0.07376104 4.28424659
-0.00052148 -0.00012203 -0.00010819
-0.02393963 0.04679278 -0.01024965
-3.70252805 7.87676624 -24.90893225
-0.00041691 0.00100242 0.00038690
0.02423623 0.02386510 -0.01813609
-4.48107955 8.79776433 -22.14225631
-0.00003654 0.00062758 -0.00107090
0.01638451 0.02392521 0.01125523
3.48570511 0.88275618 -1.07419893
0.00140946 -0.00017825 0.00085947
-0.01104282 0.00573391 -0.00494238
0.93218166 2.04948723 -2.14483396
-0.00000692 0.00015043 -0.00041093
-0.01161261 -0.02230167 -0.00000799
16.28733821 7.65852858 6.33355075
-0.00005442 -0.00060269 0.00065226
-0.00259030 -0.00295471 0.01141524
15.87782982 9.35765737 4.03486136
0.00001778 0.00064799 -0.00079500
-0.00964523 -0.03710653 0.00944926
-0.34724040 -11.82060808 -13.42356462
-0.00004172 0.00002532 0.00024596
0.00500802 -0.00395679 0.00069025
-13.92916401 14.55540923 22.09451679
-0.00002179 -0.00009488 0.00013931
0.00364232 -0.00097574 0.00131560
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02685115
0.31983726
426.16711272
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1366576528
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.2921988648 (a.u.)
total exchange computation time: 2.7064869404 s
-153.7598348781
-931.34559741
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1371335857
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.2924616889 (a.u.)
total exchange computation time: 2.7254350185 s
-153.7604109607
Anderson extrapolation: theta=1.2443290002 (1.2443290002)
-931.34604613
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1371335857
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.2924774305 (a.u.)
total exchange computation time: 2.7270929813 s
-153.7615428631
Anderson extrapolation: theta=0.1213314832 (0.1213314832)
-931.34621431
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1371335857
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.2924014659 (a.u.)
total exchange computation time: 2.7264871597 s
-153.7622320845
Anderson extrapolation: theta=1.2016678187 (1.2016678187)
-931.34622475
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1371335857
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.2922622641 (a.u.)
total exchange computation time: 2.7250609398 s
-153.7633119813
Anderson extrapolation: theta=0.4925971671 (0.4925971671)
-931.34623287
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1371335857
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.2921733801 (a.u.)
total exchange computation time: 2.7272288799 s
-153.7638858238
Anderson extrapolation: theta=1.0452163262 (1.0452163262)
-931.34623597
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1371335857
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.2920883044 (a.u.)
total exchange computation time: 2.7251598835 s
-153.7643354562
Anderson extrapolation: theta=0.4799931142 (0.4799931142)
-931.34623826
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1371335857
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.2920634283 (a.u.)
total exchange computation time: 2.7246870995 s
-153.7643664705
Anderson extrapolation: theta=0.8233968080 (0.8233968080)
-931.34623913
-209.254104 50.669293 -160.509754
-134.283449 459.586866 -798.498573
-343.537553 510.256160 -959.008327
1139.331545
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1371335857
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.2920589701 (a.u.)
total exchange computation time: 2.7251980305 s
677.69500280
-1081.38701626
89.93185945
-390.67990582
-174.61412079
76.97976391
551.60419304
0.00000000
-931.34623958
-10.84628278 -4.22907570 6.73533679
-0.00019043 -0.00005690 0.00004761
-0.00358905 0.00479815 -0.01018572
-14.17966810 3.48683744 9.46683588
0.00015314 0.00002790 -0.00017589
0.02655515 0.00657543 -0.01400347
-15.97289767 1.29165430 3.51765312
0.00001650 0.00020583 -0.00020384
-0.03939487 -0.02179869 -0.02292691
2.40994149 -19.80488028 12.81223449
0.00016648 -0.00004508 -0.00011206
0.01975756 0.02027580 0.05470174
9.56069393 20.42311170 0.87859296
0.00024793 -0.00009033 0.00039309
0.01695075 -0.01709032 -0.02177850
-11.80797872 12.65834489 15.07620745
-0.00058903 -0.00030173 0.00000018
0.00008057 0.03541696 0.01586701
-6.35243492 1.52934277 -12.13611365
0.00019766 -0.00018615 -0.00030801
0.00151280 0.04632619 -0.03873964
-7.39728726 7.81683714 -5.89520313
0.00003776 0.00006320 -0.00008230
-0.02549081 -0.00401347 -0.00381024
-7.62865712 -4.46314184 17.87083177
-0.00009924 0.00034143 -0.00029149
-0.02041970 -0.00881523 0.02953112
-23.42839429 -4.86726879 -22.49803133
-0.00017588 -0.00039616 -0.00027758
-0.00180187 -0.00496626 -0.01303961
6.64079122 12.78420721 6.06943724
-0.00005305 0.00003402 -0.00003786
-0.00036221 0.00068194 -0.03177881
24.66570776 30.34222916 -2.83746574
0.00012877 0.00017456 -0.00027072
-0.00931560 0.04049819 0.02372145
7.91239223 -1.29492841 -14.37011516
0.00002267 0.00016820 -0.00025258
0.00170197 0.01195139 0.01312178
-7.14631101 -0.89193185 14.33567753
-0.00027805 -0.00010119 0.00018626
-0.02974153 -0.02986998 0.00547986
-1.96380608 -26.22934801 11.32554369
0.00014956 -0.00010704 0.00013700
0.01702553 0.01377503 -0.01957433
-14.24603828 -4.65120244 -7.07916600
0.00027250 0.00012083 0.00010662
0.00377022 0.01027508 -0.00087163
-20.01994984 -12.49214847 -17.89058679
0.00003246 -0.00025555 0.00014476
0.04824762 0.00989591 0.04001963
22.64367899 3.60971460 3.08118906
0.00024765 0.00008243 -0.00021473
0.00387783 0.01935220 0.01385386
17.80148778 -10.04755753 -14.34869782
-0.00006744 -0.00028387 -0.00009072
-0.03046599 0.01250887 0.00212199
-2.18561817 1.93168778 -7.18780802
0.00021229 -0.00017033 0.00039033
-0.01281033 -0.01329293 -0.00784001
-4.09267434 -3.02501279 -15.62729279
-0.00019064 -0.00008263 0.00004138
-0.02817164 -0.00214820 -0.00719257
13.40436794 17.18267316 -20.22320166
-0.00018739 0.00011878 0.00031188
-0.01215154 0.01253374 -0.01394572
-16.47646633 16.05165447 -12.07070443
0.00050196 0.00013577 0.00008764
-0.03653535 -0.00908297 0.00625394
1.45539984 14.26296509 7.56036397
0.00065092 0.00025743 -0.00010411
0.02590246 -0.00951923 -0.01241498
-5.17227171 -9.58703213 2.05815404
-0.00024855 -0.00001444 0.00015629
-0.04638707 0.01967262 -0.00428759
3.09562603 -6.31733552 2.47642080
-0.00004194 -0.00032987 0.00015238
-0.01224917 0.08253154 0.01301543
10.85859894 4.83538809 4.62998795
0.00005859 0.00010095 -0.00039373
-0.02582267 0.01282043 -0.00174786
-8.53811794 -9.73393365 -2.59746550
0.00009991 0.00011834 -0.00039423
0.00155591 -0.04146351 0.03439510
3.12616899 -15.98638557 -13.26240233
0.00026624 -0.00011503 0.00006358
-0.02733947 0.03693603 -0.02337860
4.86841886 -8.45843520 -5.72944575
0.00005539 0.00017102 0.00025551
-0.00282521 0.01151838 -0.04408949
18.56179474 0.73444568 24.83362606
0.00008517 0.00038365 -0.00023729
-0.01611416 0.02121979 0.00291975
-8.11503757 3.14651668 1.02122678
-0.00058921 -0.00004745 0.00026445
-0.00003431 0.01319405 0.00002341
-7.90814091 14.20563584 -10.64125983
0.00034781 0.00004353 0.00034710
-0.00822653 0.00444350 0.03195731
1.67957619 11.35414101 -9.02856952
0.00009743 0.00011508 0.00029916
-0.00176762 0.02550655 0.01640528
-11.87060077 9.94172822 -13.81344880
0.00014636 0.00034271 -0.00016895
-0.00418787 -0.02040886 0.04750895
7.28946225 4.19059017 14.71605638
-0.00036135 0.00024595 -0.00004295
-0.01129878 0.06883122 -0.01027520
-14.58724592 9.42618890 -9.39095300
-0.00003554 -0.00029091 0.00050770
-0.03905858 0.00171484 0.01224244
8.51150426 8.37645068 -3.10118545
0.00007473 -0.00016199 0.00000987
0.05268505 0.00468918 0.03380648
13.66306019 -20.37457223 -25.73226152
0.00018853 -0.00006029 0.00008622
-0.01516520 0.00159115 -0.00534776
6.35345026 6.47516204 2.72710324
0.00007653 0.00027560 -0.00022382
-0.03427994 -0.04908583 -0.01535177
19.23915336 -5.76903847 -6.44712488
-0.00022523 0.00006557 -0.00038001
0.03682191 -0.02714935 -0.00595095
-1.75339125 0.10855172 -2.44561152
-0.00003891 -0.00014382 -0.00026586
0.04690362 -0.00733820 -0.02629600
2.43419326 -1.92425680 -12.43175457
-0.00009599 -0.00001461 0.00037245
-0.03825052 -0.00733550 0.02648622
20.62157071 9.33829418 -5.24006674
-0.00057001 0.00025601 0.00005318
-0.00532205 -0.03163522 -0.03335013
-7.47096063 6.48316062 9.43422314
0.00003951 -0.00001765 -0.00013364
-0.01191387 -0.00824933 -0.01783172
-2.68681157 -14.60854807 11.62947572
0.00005893 -0.00001576 -0.00034235
-0.01478017 0.00722505 0.01184362
8.15054653 0.45036828 -4.96626507
-0.00005409 -0.00011486 -0.00014813
0.00743707 -0.03164699 0.02340418
-0.01148244 -10.01730047 0.52245286
-0.00007551 -0.00010299 -0.00010558
-0.00633037 -0.00174433 -0.01883480
-20.06034700 -1.47611319 4.75236589
-0.00015266 0.00024590 0.00016850
0.01993848 -0.04317540 -0.00585720
-4.70476329 7.64036787 -23.46733342
0.00016241 -0.00013976 -0.00027868
-0.04278068 -0.04218191 0.01775914
2.56807882 2.41696680 -1.45327631
-0.00005911 -0.00027658 0.00041216
0.02810773 0.01636932 0.00713628
15.51063583 7.58070266 4.69639177
-0.00001227 -0.00030566 -0.00002400
0.01115032 0.04870332 -0.02906752
-9.33797867 -4.93487185 7.41783939
-0.00057560 0.00093400 -0.00022865
0.00787206 -0.00710265 0.00188212
-10.58564690 -3.81505782 4.94158688
0.00037524 0.00071029 -0.00019038
0.00711517 -0.00901622 0.01265927
-12.96897202 4.81609238 8.97570783
0.00067597 -0.00036983 -0.00098311
-0.01288534 -0.00834358 0.00366590
-13.39337813 1.98402708 8.65342841
-0.00012927 0.00035002 0.00008584
-0.01075426 0.01539695 0.00583082
-14.76303584 1.15379876 4.80021446
-0.00052166 0.00137766 0.00091682
0.02088436 0.00011491 0.02980673
-17.25096685 -0.09876269 3.99897006
-0.00027109 -0.00046572 0.00038770
0.02013869 0.02694258 -0.00788506
2.53607319 -21.16946235 11.66946525
0.00118988 0.00001120 0.00018368
0.00531004 -0.02572216 -0.01808683
3.56417036 -20.19177788 14.29429844
0.00029496 0.00014314 0.00083392
-0.02070610 0.01053564 -0.03679203
8.69702487 18.77570958 0.74863544
-0.00070830 0.00014098 0.00109155
-0.00277266 0.01528725 0.00506705
8.66596160 21.69769506 1.80081028
-0.00042679 -0.00051074 0.00040211
-0.01996955 0.00013970 0.00680179
-10.58135169 12.27689108 16.38829622
-0.00039191 -0.00084703 0.00041463
0.00201840 -0.00540952 0.00291875
-12.58206668 14.25216972 15.74820517
0.00004175 -0.00006691 0.00060160
0.00956716 -0.01905895 -0.01581618
-5.74873054 0.22510996 -13.16496013
0.00088885 0.00014600 -0.00030362
0.01178785 -0.02228367 -0.01978190
-6.68335034 0.81766521 -10.57482604
-0.00035595 0.00018931 -0.00018602
-0.01345075 -0.02363846 0.05173692
-6.72907206 6.47456197 -4.85850790
0.00000991 -0.00073477 0.00010753
-0.00130256 -0.00079873 0.00036461
-9.22852093 7.72212299 -5.53445733
-0.00004452 0.00032716 0.00043546
0.02062713 0.00094012 -0.00620634
-8.73060383 -3.41539142 18.99340882
-0.00005839 0.00040663 0.00079107
0.02128955 -0.01711290 -0.01855474
-7.69948629 -6.19173326 18.60926754
-0.00006349 -0.00000821 0.00006453
-0.00297227 0.01702485 -0.00590176
-23.20997358 -3.32499188 -23.45668171
0.00013038 -0.00054113 0.00103756
-0.00313777 0.00524255 -0.00130109
-23.37195703 -4.37200913 -20.76720128
0.00095864 -0.00031111 -0.00003175
-0.00104662 0.00275333 0.00726352
6.80349268 13.25622467 4.25633729
-0.00067064 0.00007812 0.00018245
-0.00376747 -0.00016938 0.02011671
8.05271661 11.62533479 6.29179732
0.00063684 -0.00016798 0.00041339
0.00398548 -0.00276336 0.01171606
24.51540497 28.75197328 -2.04174573
0.00047412 0.00000952 -0.00035280
0.00189476 -0.02394567 0.00584404
23.77884732 31.53300261 -1.60997942
0.00004907 0.00039580 0.00015448
0.01693695 -0.01174881 -0.01621251
9.44415873 -2.40487637 -14.28740384
0.00018960 0.00047801 -0.00151033
-0.01012601 0.00369790 -0.00094864
7.49984313 -0.67438699 -12.69248039
0.00122080 -0.00067063 -0.00071415
-0.00080043 -0.01429921 -0.00708213
-7.37235115 -0.33862100 16.08364018
-0.00002057 0.00110623 0.00057788
0.00781609 0.00755720 -0.00466412
-8.32772763 -2.38314760 14.32142478
-0.00114515 -0.00045260 -0.00148514
0.02671404 0.02528198 -0.00322441
-2.51999479 -26.75787460 13.01410236
0.00028367 0.00054182 -0.00034339
-0.00946874 -0.00270062 -0.00313358
-3.16867845 -25.95609131 9.94246534
0.00015552 0.00040820 -0.00031340
0.00099036 -0.00549227 0.01549951
-13.87595802 -2.94138019 -6.43688830
-0.00092186 0.00057423 0.00055419
-0.00811570 -0.00537711 -0.00169371
-15.02031728 -4.47152989 -8.73151997
0.00010470 -0.00009640 0.00032221
0.00337480 -0.00225557 -0.00184761
-18.74322568 -11.53555811 -16.70718749
-0.00097085 0.00119818 0.00070576
-0.03180322 -0.01627041 -0.03363980
-18.86214794 -13.90329100 -18.28909139
-0.00025025 0.00033125 -0.00018106
-0.00544611 0.00975621 -0.00360256
23.20643680 3.55254054 1.34307324
0.00083042 -0.00151743 -0.00005826
0.00469016 -0.00729860 -0.00724641
23.11466126 5.29787040 3.65406594
-0.00074104 -0.00020023 0.00102015
-0.00638506 -0.01162100 0.00329697
16.28567072 -9.58685079 -13.20037566
-0.00046317 -0.00092208 0.00017730
0.03150003 -0.00528808 -0.03213655
17.51818442 -9.46596409 -16.13088969
-0.00070119 -0.00110602 0.00024465
-0.00373460 -0.00535984 0.03025398
-0.59197860 2.55636550 -7.86210421
0.00032167 -0.00013069 -0.00067048
0.00442467 -0.00933787 -0.00605114
-2.64810887 0.42659881 -8.21031732
0.00112397 -0.00102902 0.00106008
0.00607398 0.02140720 0.01288432
-5.74626352 -3.05996417 -16.52994034
-0.00016253 -0.00062355 -0.00036759
0.02781576 -0.00067254 0.01130037
-3.06168076 -1.97668758 -16.71212886
-0.00051500 0.00047267 0.00013613
-0.00332919 0.00496500 -0.00353465
12.80177879 18.64521524 -21.21637428
0.00007141 0.00080081 0.00053930
0.01320779 -0.00310969 0.01162389
11.83032515 16.24147637 -20.39560653
0.00055529 -0.00003590 0.00086068
0.00124527 -0.01292119 0.00293455
-15.38368826 15.45258717 -13.36610530
0.00063102 -0.00030830 -0.00170262
0.02190223 -0.00169846 -0.01475949
-17.97748250 15.02341283 -12.61773124
-0.00013643 0.00003252 -0.00015800
0.01436227 0.01024994 0.01858540
2.58065695 15.18789778 6.45626253
0.00042549 0.00038589 -0.00014001
0.00765438 -0.01630328 -0.01901550
0.58971888 15.67208406 8.13665856
0.00054000 0.00092960 0.00022457
-0.03945833 0.02803546 0.02646003
-6.46314216 -8.33605626 1.28109977
0.00018669 -0.00030324 -0.00033348
0.04628038 -0.02717965 0.02123790
-3.44787827 -9.16268828 1.62148102
-0.00010539 -0.00069667 0.00045735
0.00513442 0.00343288 -0.01044046
2.57564022 -4.37676127 2.80949884
-0.00038930 -0.00057280 -0.00031174
0.01301754 -0.06582938 -0.00185446
4.51394400 -5.97360248 1.36979264
-0.00047498 -0.00024440 -0.00000948
0.00646891 -0.01357914 -0.00120263
9.29061662 5.88069766 4.27288460
-0.00064086 -0.00008359 0.00032928
0.02630329 -0.01849363 0.00072481
12.26228562 6.01567576 4.70800592
-0.00038641 0.00045305 0.00003177
0.00321113 0.00411637 0.00300854
-7.69736712 -11.36144618 -1.98071740
-0.00011967 0.00092338 -0.00014978
-0.00506442 0.03346972 -0.02620121
-9.86678436 -9.63862736 -1.29509525
0.00055124 -0.00003650 0.00015183
0.00207962 0.01181061 -0.01423232
4.58610281 -16.78013736 -13.88123518
-0.00032665 0.00094163 -0.00189217
0.02266282 -0.01595930 0.00070868
2.73221039 -16.61099855 -11.65147779
0.00026003 -0.00000165 0.00172424
0.00160544 -0.01915120 0.02364885
5.94736047 -6.97002695 -6.14919570
-0.00065352 -0.00047013 -0.00029761
-0.01134097 -0.01072681 0.01670493
4.86861530 -8.80616796 -4.00213016
-0.00014959 0.00048414 0.00114364
0.00634252 0.00239749 0.03286780
16.97699066 1.60210493 24.37265668
-0.00069906 -0.00025144 0.00033963
-0.00246061 -0.01496195 -0.00092203
19.43779497 2.26310430 25.39721042
0.00062697 0.00024190 -0.00088415
0.01327306 -0.01126477 -0.00273647
-9.56952771 2.99251064 2.12519678
0.00001026 0.00026677 -0.00013147
-0.00337500 0.00564399 0.00810401
-7.84347661 4.97504046 0.92219921
0.00027235 -0.00014863 -0.00060310
0.00532016 -0.01191302 0.00238210
-6.60474884 14.83959796 -9.44273591
-0.00003290 -0.00104605 -0.00007935
-0.02141543 -0.01041689 -0.01428330
-9.48250395 13.82467073 -9.56298409
0.00014815 0.00011006 0.00030141
0.03309830 0.00360613 -0.01941384
0.06812891 11.02327582 -8.19741286
-0.00013129 -0.00035159 -0.00059872
0.00655958 -0.00404719 0.00035888
2.39325662 12.68964271 -7.85106696
0.00005274 -0.00024231 -0.00060475
0.00064864 -0.02416605 -0.02012572
-10.39989241 8.78700427 -13.69946787
0.00044199 -0.00017634 0.00035725
-0.01263050 0.01359075 -0.00242444
-12.70099996 9.79761783 -12.00152261
0.00068059 -0.00002925 -0.00010552
0.01496227 0.00509236 -0.04693461
7.13549456 6.09861384 14.90866695
-0.00018387 0.00030248 0.00114084
0.00646507 -0.03517763 0.00727092
7.42110033 4.25703824 12.88288587
-0.00085971 -0.00012246 -0.00005827
0.00470633 -0.02117487 -0.00607387
-14.12096497 10.72202772 -8.10913439
-0.00020456 -0.00012650 -0.00094965
0.00508010 -0.00887326 -0.01159312
-16.47209050 9.56675314 -9.50486502
-0.00030459 0.00088879 -0.00043890
0.02751682 0.00025166 -0.00321332
8.84274154 9.82005644 -1.98338126
-0.00073878 -0.00032925 -0.00042509
0.00856801 -0.01008882 -0.00575407
6.89743674 8.82856512 -3.50665465
0.00022277 -0.00062050 -0.00204993
-0.06400332 0.00597488 -0.02405355
12.07848022 -20.51014060 -26.65451754
-0.00012783 0.00016770 -0.00056889
0.00310765 0.00275468 0.00475857
13.22654625 -19.67689746 -24.03180049
0.00047871 0.00010719 -0.00032254
0.01241225 -0.01182671 -0.01209781
5.64200811 4.63191142 2.67344752
-0.00075333 -0.00021134 -0.00025142
0.02388448 0.03462908 0.01629939
6.37755392 6.72007384 0.91035230
-0.00060728 0.00082047 0.00029533
0.00888360 0.01168069 0.00113801
20.52969195 -6.67366887 -5.44583226
0.00067000 -0.00007900 -0.00022923
-0.01942303 0.01208267 -0.01108893
18.07017056 -5.03463900 -5.33085036
-0.00057178 -0.00061917 -0.00015328
-0.02133200 0.01424204 0.02254929
-3.13120036 0.10717314 -1.35607318
0.00111819 -0.00042389 -0.00003809
-0.03249512 0.01099742 0.01694972
-1.96586572 0.86737435 -4.13216622
-0.00019731 0.00070293 0.00027094
-0.01866781 -0.00432350 0.00128578
3.55762275 -3.33380413 -12.10572503
-0.00115552 0.00061521 0.00001084
0.01347524 -0.00294627 -0.00343766
0.79822274 -2.48144387 -11.46869707
0.00015320 0.00057055 0.00026549
0.02509891 0.00610499 -0.02562920
20.40648993 8.18140835 -6.75487060
-0.00090530 -0.00050466 -0.00022655
-0.00078226 0.02483592 0.02742392
22.25508459 8.75248493 -4.53119193
0.00001356 -0.00112184 -0.00015198
-0.00586826 0.00345312 -0.00597952
-7.56299832 4.68041568 8.98782876
-0.00026861 -0.00001581 -0.00037333
0.00430106 0.00538330 0.00224275
-7.29549477 6.36297404 11.20230322
0.00005986 -0.00046844 0.00107844
-0.00425750 0.00076752 0.02486944
-3.09288221 -16.35349240 11.94918120
0.00027958 -0.00030265 -0.00056314
0.00562287 -0.00800697 -0.00343566
-4.35962025 -13.84267094 11.84414188
0.00015940 0.00101644 -0.00007266
0.01567248 0.00110645 -0.00394098
8.10625678 0.14186660 -3.13008634
0.00047208 0.00018210 0.00105841
-0.00104872 0.01174036 -0.02073283
7.62724018 2.14049477 -5.57066791
-0.00011764 0.00087819 -0.00019932
0.00293413 -0.00165129 0.00587930
1.06698876 -10.51191732 1.93056971
0.00080711 -0.00079009 -0.00074607
0.00192714 0.00407804 0.00263118
0.45187675 -8.32060998 -0.06391787
-0.00087373 -0.00002223 0.00028006
-0.00074023 -0.00870950 0.01203758
-19.83898055 -1.49147098 6.58232245
-0.00015755 0.00041761 -0.00051840
-0.00306183 -0.00186756 0.01372616
-20.71934905 0.07336454 4.28230961
-0.00061965 0.00006959 -0.00015008
-0.02411143 0.04700532 -0.01025482
-3.70803899 7.89253386 -24.90368455
-0.00031187 0.00110054 0.00030117
0.02717866 0.02416269 -0.02382609
-4.48112559 8.80791112 -22.15797493
0.00002890 0.00072560 -0.00102298
0.01564882 0.02405905 0.01220466
3.50650857 0.88025819 -1.06145833
0.00135676 -0.00014643 0.00083559
-0.01475297 0.00983818 -0.00674729
0.93172197 2.05106033 -2.15099816
-0.00005071 0.00005742 -0.00040951
-0.00982313 -0.02322938 0.00070404
16.28644254 7.64939771 6.34368449
-0.00006865 -0.00061327 0.00068954
-0.00437385 -0.00222299 0.00683135
15.87780101 9.36624018 4.02322592
-0.00002269 0.00048593 -0.00075063
-0.01016561 -0.04222160 0.01227226
-0.34785283 -11.82023891 -13.41987340
-0.00003993 0.00002392 0.00024618
0.00504422 -0.00383421 0.00056710
-13.92948458 14.55398430 22.09660871
-0.00002097 -0.00009511 0.00013962
0.00347383 -0.00101732 0.00136887
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02700322
0.31923636
425.36645138
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1377825852
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.2814612923 (a.u.)
total exchange computation time: 2.6954660416 s
-153.7203931157
-931.34665388
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1377825852
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.2817160932 (a.u.)
total exchange computation time: 2.6973669529 s
-153.7196091338
Anderson extrapolation: theta=1.3528958760 (1.3528958760)
-931.34692306
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1377825852
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.2820123310 (a.u.)
total exchange computation time: 2.6967761517 s
-153.7189237687
Anderson extrapolation: theta=0.0535099913 (0.0535099913)
-931.34708496
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1377825852
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.2819823133 (a.u.)
total exchange computation time: 2.6975538731 s
-153.7192775665
Anderson extrapolation: theta=1.9908333419 (1.9908333419)
-931.34709137
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1377825852
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.2819016813 (a.u.)
total exchange computation time: 2.6980750561 s
-153.7200715384
Anderson extrapolation: theta=0.2304147787 (0.2304147787)
-931.34709830
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1377825852
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.2818754663 (a.u.)
total exchange computation time: 2.6970329285 s
-153.7202406500
Anderson extrapolation: theta=1.8772090403 (1.8772090403)
-931.34709964
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1377825852
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.2818385153 (a.u.)
total exchange computation time: 2.6983621120 s
-153.7203971328
Anderson extrapolation: theta=0.2854291240 (0.2854291240)
-931.34710123
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1377825852
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.2818406237 (a.u.)
total exchange computation time: 2.6979918480 s
-153.7202926872
Anderson extrapolation: theta=1.3120109492 (1.3120109492)
-931.34710161
-209.263349 50.678998 -160.519663
-134.285072 459.606833 -798.524302
-343.548420 510.285831 -959.043964
1139.378107
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1377825852
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.2818520704 (a.u.)
total exchange computation time: 2.6992988586 s
677.54463231
-1081.04779352
89.93623213
-390.91165672
-174.58666401
76.78905517
551.60419304
0.00000000
-931.34710187
-10.84915301 -4.22991069 6.73601162
-0.00019355 -0.00005359 0.00004082
-0.00857949 0.00805392 -0.01621056
-14.17726858 3.48728132 9.46414347
0.00016684 0.00003217 -0.00018295
0.02672166 0.01002140 -0.01343736
-15.97280210 1.29465773 3.51450712
-0.00000354 0.00019392 -0.00021468
-0.03855691 -0.02452896 -0.01922509
2.41251486 -19.80547820 12.81076463
0.00017708 -0.00003466 -0.00008305
0.02148318 0.02020745 0.05808409
9.56447832 20.42169082 0.88440529
0.00025601 -0.00009930 0.00038213
0.01445633 -0.01778432 -0.02084319
-11.81681380 12.65395551 15.07627139
-0.00058815 -0.00028358 0.00000922
0.00332211 0.03516620 0.01927111
-6.34946423 1.52672925 -12.14088326
0.00019836 -0.00016248 -0.00032762
0.00121169 0.04570265 -0.03751939
-7.39681912 7.81776968 -5.89645233
0.00002497 0.00006012 -0.00008344
-0.02425321 -0.00797016 -0.00062608
-7.63022446 -4.45805433 17.86657337
-0.00011024 0.00033666 -0.00027535
-0.02237941 -0.00973232 0.03321567
-23.43103949 -4.87323038 -22.50224528
-0.00017692 -0.00039948 -0.00028264
-0.00223377 -0.00794315 -0.00665688
6.63999400 12.78472015 6.06874674
-0.00005243 0.00003354 -0.00005340
0.00277483 -0.00253122 -0.02864777
24.66760343 30.34500384 -2.84143505
0.00012368 0.00019537 -0.00025821
-0.01048293 0.04042125 0.02491276
7.91273883 -1.29235925 -14.37385323
0.00002382 0.00017386 -0.00024767
0.00275600 0.01005041 0.00596001
-7.15059651 -0.89356485 14.33849253
-0.00029388 -0.00011666 0.00018951
-0.03178924 -0.03028958 0.00715109
-1.96149704 -26.23090053 11.32752314
0.00015830 -0.00009952 0.00012533
0.01698427 0.01546468 -0.02580528
-14.24193622 -4.64935033 -7.07757000
0.00027461 0.00012659 0.00010665
0.00443129 0.01210454 0.00097170
-20.01927689 -12.49594352 -17.88826102
0.00005642 -0.00024930 0.00016558
0.04493918 0.01439708 0.04093378
22.64740865 3.61102570 3.07802157
0.00024934 0.00009168 -0.00020745
0.00270137 0.01662345 0.01444934
17.80035870 -10.05176728 -14.35005044
-0.00008324 -0.00027771 -0.00008868
-0.03098022 0.01143988 0.00579438
-2.18248328 1.92908151 -7.18198334
0.00020661 -0.00017697 0.00038575
-0.00925153 -0.01252331 -0.00997466
-4.09564258 -3.02626051 -15.62669980
-0.00020514 -0.00008363 0.00003745
-0.02823080 -0.00173475 -0.00811451
13.40151015 17.18450315 -20.21857731
-0.00019262 0.00012619 0.00030467
-0.00817924 0.01627905 -0.01406998
-16.46907780 16.05365601 -12.06936568
0.00048457 0.00012967 0.00008832
-0.03112040 -0.01465316 -0.00362367
1.46526354 14.26678982 7.55875448
0.00066308 0.00025406 -0.00010971
0.02138149 -0.00357223 -0.00939364
-5.17617891 -9.58717288 2.06048181
-0.00027219 -0.00000475 0.00015422
-0.04551806 0.01800008 -0.00373246
3.09494971 -6.32196525 2.47875676
-0.00004856 -0.00028776 0.00015919
-0.01351621 0.08121832 0.01344843
10.85937819 4.83695186 4.62407532
0.00004479 0.00010762 -0.00039451
-0.02786104 0.01310721 -0.00132089
-8.53661332 -9.73231846 -2.60324621
0.00010023 0.00009785 -0.00037662
-0.00031387 -0.03822682 0.03404686
3.13005719 -15.98796857 -13.26153877
0.00025065 -0.00009670 0.00005477
-0.03329713 0.03434960 -0.01088166
4.86923888 -8.45582551 -5.72578311
0.00005311 0.00017538 0.00023517
-0.00604984 0.00545207 -0.03504032
18.56301008 0.74028222 24.83007793
0.00007656 0.00039434 -0.00023590
-0.01734231 0.02034946 0.00249806
-8.12387589 3.14585579 1.02519363
-0.00058788 -0.00004060 0.00026344
0.00522843 0.01344962 -0.00396555
-7.90295552 14.20630590 -10.63593006
0.00034238 0.00004517 0.00036257
-0.01287176 0.00193500 0.02821353
1.68103079 11.35596562 -9.02401877
0.00009634 0.00012726 0.00030648
-0.00244825 0.02186576 0.01204438
-11.86842148 9.94679010 -13.81579972
0.00014507 0.00033157 -0.00014447
-0.00085490 -0.02288281 0.04766207
7.28399841 4.19454488 14.71537253
-0.00036720 0.00028115 -0.00004778
-0.01143253 0.06807305 -0.00851420
-14.58792965 9.42183186 -9.38329024
-0.00005657 -0.00029087 0.00051277
-0.04272592 -0.00156939 0.00745554
8.51282851 8.37403891 -3.10090702
0.00010054 -0.00016015 0.00002647
0.04766725 0.00245187 0.03075081
13.66582959 -20.37547049 -25.73098888
0.00018010 -0.00005974 0.00008230
-0.01761660 0.00057546 -0.00987522
6.35446592 6.47910674 2.72368672
0.00005853 0.00024970 -0.00023076
-0.03568954 -0.05165495 -0.01161959
19.23591693 -5.76815961 -6.45284806
-0.00020567 0.00005120 -0.00038222
0.03922913 -0.02873728 -0.00261576
-1.75379402 0.10636614 -2.44970086
-0.00001344 -0.00014763 -0.00028025
0.05216785 -0.00747850 -0.02965936
2.43260594 -1.92450419 -12.42606573
-0.00011663 -0.00001649 0.00038541
-0.04201208 -0.00000585 0.02392403
20.61300008 9.34201234 -5.23939764
-0.00057165 0.00023868 0.00003582
-0.00105356 -0.03575346 -0.03418274
-7.47041395 6.48286410 9.43214979
0.00003361 -0.00002206 -0.00013997
-0.01103111 -0.00889770 -0.00678781
-2.68598467 -14.60875656 11.62438617
0.00005098 -0.00001201 -0.00033614
-0.01612000 0.00733323 0.01230395
8.14976392 0.44852329 -4.96839668
-0.00005070 -0.00013005 -0.00013471
0.00571331 -0.02742170 0.02877567
-0.01263953 -10.01885211 0.52079655
-0.00007869 -0.00010451 -0.00011480
-0.00604944 -0.00415225 -0.01704025
-20.06255994 -1.47259124 4.75487081
-0.00014264 0.00022423 0.00016423
0.01899833 -0.04108783 -0.01076615
-4.70249217 7.63810876 -23.47144514
0.00014016 -0.00016135 -0.00026843
-0.04374903 -0.04177231 0.02209629
2.56730063 2.41288128 -1.44706645
-0.00004437 -0.00026895 0.00041605
0.02919860 0.01329675 0.00802775
15.51049486 7.57630563 4.69591965
-0.00000601 -0.00027986 -0.00003839
0.01318302 0.05162280 -0.02687210
-9.34637142 -4.92107951 7.41446735
-0.00053154 0.00089971 -0.00021484
0.01369454 -0.00968340 0.00487529
-10.57980020 -3.80467977 4.93911907
0.00040282 0.00067181 -0.00013315
0.00638120 -0.00981815 0.01535713
-12.95922739 4.81028931 8.96107348
0.00062073 -0.00040501 -0.00096640
-0.01415487 -0.00887884 0.00451309
-13.39564675 1.98974924 8.65489464
-0.00017109 0.00040683 0.00010732
-0.00971573 0.01241201 0.00468724
-14.77022079 1.17446718 4.81488008
-0.00044215 0.00137883 0.00103241
0.01803798 0.00045788 0.02677851
-17.25441615 -0.10492292 4.00454396
-0.00018513 -0.00035077 0.00035372
0.02194395 0.02932873 -0.00874880
2.55408404 -21.17008255 11.67166620
0.00121166 -0.00009500 0.00010852
0.00535324 -0.02626429 -0.01870644
3.56796023 -20.18930789 14.30567975
0.00020615 0.00018755 0.00067788
-0.02276394 0.01120394 -0.03958727
8.68631540 18.77829278 0.76516403
-0.00071635 0.00020411 0.00111081
-0.00116582 0.01561585 0.00435805
8.65894785 21.69003821 1.80705041
-0.00050643 -0.00050877 0.00042970
-0.01901646 0.00082550 0.00670067
-10.58716843 12.26401986 16.39460513
-0.00038898 -0.00086731 0.00042037
-0.00058786 -0.00451764 -0.00010793
-12.58114729 14.25058202 15.75674457
0.00008046 -0.00014550 0.00053607
0.00938497 -0.01941244 -0.01626531
-5.73503655 0.22661718 -13.17012062
0.00093653 0.00005536 -0.00038255
0.01155316 -0.02208559 -0.01885241
-6.68910176 0.81978045 -10.57603092
-0.00040982 0.00009309 0.00002184
-0.01292015 -0.02345776 0.05001074
-6.72896329 6.46351594 -4.85688371
0.00000097 -0.00073004 0.00010297
-0.00307641 0.00311471 -0.00259896
-9.22855670 7.72705918 -5.52811561
0.00004099 0.00033108 0.00040957
0.02123089 0.00097844 -0.00646487
-8.73082729 -3.40981643 19.00470629
0.00003246 0.00033334 0.00071010
0.02317974 -0.01876273 -0.02107807
-7.70052977 -6.19133465 18.61005465
-0.00007537 0.00006604 0.00003803
-0.00284175 0.01931960 -0.00706864
-23.20811400 -3.33294812 -23.44115811
0.00011905 -0.00051058 0.00102363
-0.00240835 0.00971213 -0.00552215
-23.35760956 -4.37659140 -20.76745500
0.00095375 -0.00030306 -0.00000630
-0.00134519 0.00118775 0.00519818
6.79331758 13.25739125 4.25969042
-0.00068432 0.00007747 0.00026105
-0.00292500 -0.00014781 0.01835986
8.06239130 11.62273048 6.29835725
0.00064523 -0.00017268 0.00045870
0.00012334 0.00046265 0.01046106
24.52257487 28.75138236 -2.04685860
0.00048189 -0.00008594 -0.00032940
0.00190591 -0.02278422 0.00560908
23.78010231 31.53857957 -1.60815906
0.00011960 0.00034504 0.00008535
0.01758823 -0.01309696 -0.01762393
9.44669237 -2.39759283 -14.31008785
0.00014927 0.00049177 -0.00151310
-0.00961307 0.00303307 -0.00040890
7.51813061 -0.68488459 -12.70340971
0.00121393 -0.00072395 -0.00072905
-0.00256216 -0.01180389 -0.00020916
-7.37242025 -0.32179603 16.09216552
0.00000994 0.00113016 0.00054938
0.00711871 0.00415979 -0.00928821
-8.34408633 -2.38916185 14.29904887
-0.00103035 -0.00034068 -0.00149307
0.02948301 0.02950373 -0.00065897
-2.51602989 -26.74983013 13.00885555
0.00024138 0.00052828 -0.00034847
-0.01123277 -0.00392731 0.00064676
-3.16631527 -25.95013662 9.93823927
0.00016246 0.00038474 -0.00024571
0.00240480 -0.00599382 0.01763471
-13.89003461 -2.93293153 -6.42862730
-0.00095516 0.00054846 0.00054554
-0.00818257 -0.00723648 -0.00254288
-15.01864334 -4.47304502 -8.72674340
0.00011767 -0.00010528 0.00031249
0.00297089 -0.00208880 -0.00291220
-18.75876290 -11.51808404 -16.69763188
-0.00110001 0.00112691 0.00056545
-0.03142314 -0.01861714 -0.03504301
-18.86606854 -13.89802336 -18.29191765
-0.00026661 0.00036677 -0.00019553
-0.00256389 0.00763441 -0.00348367
23.21903678 3.52955547 1.34197736
0.00085044 -0.00154323 -0.00008612
0.00511150 -0.00533292 -0.00639206
23.10335000 5.29451082 3.66946922
-0.00076536 -0.00024612 0.00103033
-0.00551914 -0.01084001 0.00168367
16.27968850 -9.60084402 -13.19870088
-0.00033268 -0.00094334 0.00004483
0.03237172 -0.00511898 -0.03270925
17.50755206 -9.48271856 -16.12629287
-0.00071693 -0.00112554 0.00036240
-0.00396558 -0.00419765 0.02738565
-0.58701798 2.55411907 -7.87234685
0.00033395 -0.00017063 -0.00069150
0.00158645 -0.01021274 -0.00423946
-2.63106325 0.41181955 -8.19402125
0.00114738 -0.00094110 0.00111291
0.00538622 0.02162796 0.01297568
-5.74784904 -3.06933802 -16.53510786
-0.00004788 -0.00062628 -0.00032029
0.02830501 -0.00066366 0.01185083
-3.06950772 -1.96944539 -16.71019523
-0.00052908 0.00049230 0.00012230
-0.00356367 0.00464402 -0.00323716
12.80325473 18.65713205 -21.20792860
0.00012482 0.00078314 0.00058874
0.01293554 -0.00553895 0.01257642
11.83869271 16.24054186 -20.38260648
0.00055299 -0.00009130 0.00087088
-0.00237152 -0.01419336 0.00206193
-15.37355180 15.44791056 -13.39209689
0.00070411 -0.00030746 -0.00174442
0.01387544 0.00210926 -0.00570292
-17.97908884 15.02421477 -12.61953166
-0.00007206 0.00007778 -0.00008039
0.01714786 0.01190574 0.01940216
2.58727385 15.19318659 6.45357973
0.00045720 0.00031972 -0.00021799
0.00786773 -0.01608798 -0.01915788
0.59660981 15.68688709 8.14083786
0.00038699 0.00103120 0.00032738
-0.03544417 0.02170178 0.02386907
-6.45892363 -8.34143770 1.27674830
0.00037337 -0.00041167 -0.00024763
0.04510269 -0.02590018 0.02078993
-3.44930176 -9.17303316 1.62802126
-0.00008350 -0.00068215 0.00041438
0.00557873 0.00367776 -0.01059364
2.57019955 -4.38737044 2.80476590
-0.00033614 -0.00083968 -0.00031829
0.01300426 -0.06480991 -0.00134944
4.50701753 -5.97768454 1.36961360
-0.00044559 -0.00029958 -0.00001657
0.00791674 -0.01343279 -0.00226872
9.28180973 5.87887707 4.27784598
-0.00053048 -0.00016030 0.00033173
0.02772627 -0.01905387 0.00047412
12.25658787 6.02259764 4.70857459
-0.00037215 0.00047053 0.00004375
0.00376797 0.00444114 0.00285769
-7.69931736 -11.34656984 -1.98376705
-0.00013601 0.00105250 -0.00025539
-0.00293381 0.02973330 -0.02549404
-9.85845199 -9.63881298 -1.29325390
0.00055877 0.00001280 0.00009296
0.00160411 0.01232375 -0.01458803
4.58189749 -16.76650202 -13.90959602
-0.00023143 0.00087362 -0.00188785
0.02394879 -0.01732870 0.00140813
2.73616008 -16.61161017 -11.62488944
0.00027597 -0.00007196 0.00179407
0.00619846 -0.01526739 0.01053168
5.93721016 -6.97740760 -6.15314803
-0.00069354 -0.00050610 -0.00023049
-0.00825124 -0.00688155 0.01615497
4.86656585 -8.79883243 -3.98396832
-0.00012320 0.00049808 0.00126080
0.00657445 0.00442802 0.02448189
16.96642936 1.59787482 24.37772291
-0.00070506 -0.00031241 0.00033702
-0.00047460 -0.01488241 -0.00035721
19.44760630 2.26638759 25.38386433
0.00068004 0.00019735 -0.00089550
0.01270555 -0.01053982 -0.00282134
-9.56947721 2.99668509 2.12347299
-0.00001221 0.00028993 -0.00009203
-0.00762501 0.00569552 0.01120222
-7.83922838 4.97244597 0.91322564
0.00029298 -0.00019826 -0.00059211
0.00478006 -0.01237963 0.00299840
-6.60589865 14.82358802 -9.44436385
-0.00011134 -0.00108371 -0.00012967
-0.01697968 -0.00801911 -0.01034781
-9.47926743 13.82643215 -9.55905783
0.00028365 0.00012479 0.00022172
0.03322796 0.00360192 -0.01959440
0.06636057 11.01787790 -8.20638272
-0.00010510 -0.00036726 -0.00059506
0.00626123 -0.00362123 0.00143242
2.39406752 12.68526752 -7.86075499
0.00005708 -0.00033478 -0.00068007
0.00147820 -0.02109911 -0.01674141
-10.39364967 8.78477559 -13.69418337
0.00038571 -0.00011665 0.00034553
-0.01491616 0.01562895 -0.00331325
-12.69033257 9.79733509 -12.00454365
0.00073965 -0.00000754 -0.00029602
0.01394609 0.00553635 -0.04631531
7.13293459 6.10207305 14.92600239
-0.00015711 0.00015719 0.00116698
0.00663396 -0.03594185 0.00552528
7.40834893 4.25455247 12.88182565
-0.00084037 -0.00020662 -0.00008284
0.00476041 -0.02001995 -0.00595127
-14.12387764 10.71985828 -8.12373436
-0.00018083 -0.00015476 -0.00098827
0.00653497 -0.00495712 -0.00731062
-16.47581613 9.58009277 -9.51154692
-0.00018786 0.00088826 -0.00045121
0.02962512 -0.00051416 -0.00281258
8.83192242 9.81480860 -1.98993392
-0.00070349 -0.00036417 -0.00044385
0.00870820 -0.00700828 -0.00342911
6.89881703 8.81944065 -3.53814069
-0.00002891 -0.00059767 -0.00214680
-0.05919654 0.00520300 -0.02336421
12.07665805 -20.50754072 -26.66290509
-0.00010826 0.00017958 -0.00054437
0.00647010 0.00306390 0.00724557
13.23410719 -19.67565196 -24.03700931
0.00052716 0.00006031 -0.00036756
0.01130765 -0.01112184 -0.00993811
5.63144011 4.62980240 2.67017569
-0.00065288 -0.00006491 -0.00018545
0.02528515 0.03705230 0.01599417
6.36871694 6.73273886 0.91481714
-0.00057063 0.00086850 0.00029324
0.00905798 0.01183103 -0.00216229
20.53914684 -6.67448360 -5.44961058
0.00058354 -0.00002496 -0.00027919
-0.02290240 0.01436780 -0.01336554
18.06094022 -5.04349011 -5.33245861
-0.00065681 -0.00056238 -0.00006272
-0.02029285 0.01355767 0.02177931
-3.11542320 0.10115181 -1.35612518
0.00097459 -0.00037856 0.00004017
-0.03780087 0.01119201 0.02135789
-1.96939742 0.87778586 -4.12806273
-0.00027376 0.00068546 0.00027471
-0.01875568 -0.00422922 0.00055972
3.54070285 -3.32466628 -12.10566770
-0.00108896 0.00058954 0.00000013
0.01910835 -0.00962097 -0.00180749
0.80128978 -2.47269859 -11.46550006
0.00025266 0.00059436 0.00016270
0.02359104 0.00555174 -0.02468673
20.39288639 8.17459953 -6.75742850
-0.00090828 -0.00039855 -0.00010960
-0.00067593 0.02710527 0.02982362
22.25510816 8.73576313 -4.53365487
-0.00001847 -0.00110319 -0.00017889
-0.00981234 0.00567525 -0.00719228
-7.56689573 4.68034347 8.98229757
-0.00025080 0.00000653 -0.00036355
0.00441988 0.00555221 0.00254208
-7.29472736 6.35597091 11.21924190
0.00004039 -0.00046429 0.00115725
-0.00527342 0.00126616 0.01370786
-3.08851621 -16.35827744 11.94062880
0.00030125 -0.00033112 -0.00057766
0.00498626 -0.00592966 -0.00367165
-4.35674902 -13.82739047 11.84293123
0.00022729 0.00101631 -0.00008906
0.01756269 -0.00116634 -0.00408609
8.11330587 0.14495787 -3.11484555
0.00046822 0.00023163 0.00095962
-0.00084283 0.01250382 -0.02762591
7.62556551 2.15361708 -5.57347749
-0.00010255 0.00086185 -0.00017298
0.00445249 -0.00635094 0.00701012
1.07915450 -10.52364373 1.91945935
0.00081262 -0.00077204 -0.00073679
0.00076855 0.00475962 0.00191190
0.43874817 -8.32121024 -0.05934808
-0.00087502 -0.00005463 0.00032766
0.00010631 -0.00715429 0.01125967
-19.84143762 -1.48526399 6.57496712
-0.00016913 0.00041020 -0.00045379
-0.00260458 -0.00176279 0.01789716
-20.72938261 0.07584882 4.27974416
-0.00071652 0.00025771 -0.00019056
-0.02331034 0.04507792 -0.00956105
-3.71188426 7.90978232 -24.89989705
-0.00019674 0.00119945 0.00019476
0.02918208 0.02425830 -0.02826578
-4.48021258 8.81953240 -22.17294557
0.00009087 0.00082248 -0.00097283
0.01468855 0.02336352 0.01234187
3.52640787 0.87836314 -1.04913125
0.00128966 -0.00009899 0.00080467
-0.01809039 0.01338408 -0.00838849
0.93066026 2.05120978 -2.15711922
-0.00008637 -0.00003896 -0.00040477
-0.00763206 -0.02394941 0.00161491
16.28527881 7.64013061 6.35423691
-0.00009017 -0.00062097 0.00070803
-0.00616111 -0.00154826 0.00222262
15.87714919 9.37223538 4.01234260
-0.00006478 0.00030545 -0.00069582
-0.01043909 -0.04612702 0.01455358
-0.34843818 -11.81989033 -13.41617913
-0.00003811 0.00002257 0.00024637
0.00510438 -0.00371623 0.00046003
-13.92979306 14.55255583 22.09870539
-0.00002018 -0.00009536 0.00013994
0.00329521 -0.00108138 0.00141583
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02712815
0.31997371
426.34893249
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1377825852
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.2729782261 (a.u.)
total exchange computation time: 2.6983659267 s
-153.6880267423
-931.34870536
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1377825852
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.2733545907 (a.u.)
total exchange computation time: 2.6970388889 s
-153.6862968591
Anderson extrapolation: theta=1.3574372417 (1.3574372417)
-931.34897469
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1377825852
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.2738258108 (a.u.)
total exchange computation time: 2.6970920563 s
-153.6842921729
Anderson extrapolation: theta=0.0516992361 (0.0516992361)
-931.34913677
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1377825852
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.2738126085 (a.u.)
total exchange computation time: 2.6958880424 s
-153.6845456146
Anderson extrapolation: theta=1.9128047788 (1.9128047788)
-931.34914272
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1377825852
ExchangeOperator: bisection time: 1.150 s
total exchange = -52.2737729735 (a.u.)
total exchange computation time: 2.6983671188 s
-153.6850919785
Anderson extrapolation: theta=0.2169851739 (0.2169851739)
-931.34914870
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1377825852
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.2737617676 (a.u.)
total exchange computation time: 2.6974008083 s
-153.6851770135
Anderson extrapolation: theta=1.9027245135 (1.9027245135)
-931.34914978
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1377825852
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.2737549928 (a.u.)
total exchange computation time: 2.6969819069 s
-153.6851728307
Anderson extrapolation: theta=0.2860813580 (0.2860813580)
-931.34915107
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1377825852
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.2737670669 (a.u.)
total exchange computation time: 2.6992819309 s
-153.6850213833
Anderson extrapolation: theta=1.3153098500 (1.3153098500)
-931.34915137
-209.262802 50.679751 -160.532200
-134.282866 459.624479 -798.551071
-343.545668 510.304229 -959.083271
1139.418603
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1377825852
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.2737919072 (a.u.)
total exchange computation time: 2.6977958679 s
677.42673613
-1080.77719346
89.93721844
-391.09706567
-174.56505510
76.63592235
551.60419304
0.00000000
-931.34915157
-10.85208942 -4.23068355 6.73656140
-0.00019916 -0.00004871 0.00003111
-0.01319962 0.01094639 -0.02156269
-14.17466290 3.48780251 9.46134739
0.00018050 0.00003823 -0.00018963
0.02639372 0.01353067 -0.01255427
-15.97300398 1.29747193 3.51121280
-0.00002278 0.00018073 -0.00022340
-0.03624416 -0.02676334 -0.01468380
2.41525397 -19.80592022 12.80974288
0.00018843 -0.00002451 -0.00005277
0.02262799 0.01929460 0.05967694
9.56837423 20.42013274 0.89005682
0.00026276 -0.00010844 0.00037175
0.01177435 -0.01776672 -0.01952163
-11.82562325 12.64983743 15.07648401
-0.00058557 -0.00026570 0.00001993
0.00671369 0.03437013 0.02239000
-6.34648420 1.52446831 -12.14594233
0.00019889 -0.00013957 -0.00034626
0.00085229 0.04337892 -0.03493964
-7.39653809 7.81864073 -5.89770636
0.00001293 0.00005506 -0.00008303
-0.02256917 -0.01171956 0.00221165
-7.63196445 -4.45304190 17.86257122
-0.00012210 0.00033142 -0.00025751
-0.02372983 -0.01067205 0.03617929
-23.43370192 -4.87925325 -22.50651058
-0.00017817 -0.00040429 -0.00028443
-0.00261267 -0.01075730 -0.00027782
6.63921819 12.78521355 6.06783523
-0.00005023 0.00003142 -0.00006719
0.00580142 -0.00572147 -0.02499093
24.66941823 30.34809035 -2.84521217
0.00011805 0.00021584 -0.00024510
-0.01140174 0.03916928 0.02608378
7.91310669 -1.28971255 -14.37754533
0.00002548 0.00017855 -0.00024655
0.00370165 0.00816711 -0.00160619
-7.15512726 -0.89543153 14.34136269
-0.00031057 -0.00013215 0.00019352
-0.03313988 -0.02996387 0.00846156
-1.95905697 -26.23233374 11.32930352
0.00016708 -0.00009117 0.00011056
0.01715250 0.01700846 -0.03160679
-14.23779996 -4.64740484 -7.07596650
0.00027704 0.00013325 0.00010759
0.00500738 0.01380180 0.00268824
-20.01825725 -12.49962749 -17.88561945
0.00007852 -0.00024078 0.00018677
0.04101458 0.01873258 0.04148512
22.65115915 3.61246505 3.07496555
0.00025043 0.00009946 -0.00019999
0.00155700 0.01361953 0.01456379
17.79899062 -10.05588878 -14.35135836
-0.00009913 -0.00027218 -0.00008473
-0.03082872 0.01006308 0.00959204
-2.17941977 1.92637862 -7.17623562
0.00020279 -0.00018310 0.00038014
-0.00562669 -0.01132183 -0.01184101
-4.09882861 -3.02752162 -15.62616940
-0.00021949 -0.00008438 0.00003310
-0.02754969 -0.00117956 -0.00878126
13.39858926 17.18645872 -20.21406151
-0.00019580 0.00013542 0.00029746
-0.00417077 0.01962067 -0.01397464
-16.46192936 16.05554451 -12.06805490
0.00046995 0.00012087 0.00008407
-0.02573486 -0.01955267 -0.01288995
1.47529220 14.27058699 7.55707252
0.00067278 0.00025400 -0.00011368
0.01633858 0.00331236 -0.00603645
-5.18043726 -9.58717475 2.06278078
-0.00029507 0.00000394 0.00015254
-0.04346634 0.01579346 -0.00283756
3.09416913 -6.32596841 2.48119647
-0.00005573 -0.00024656 0.00016616
-0.01436706 0.07902578 0.01365847
10.85994250 4.83861675 4.61815250
0.00003012 0.00011439 -0.00039505
-0.02916320 0.01319695 -0.00074748
-8.53511111 -9.73099817 -2.60876425
0.00009953 0.00007924 -0.00035936
-0.00239999 -0.03415081 0.03309806
3.13368851 -15.98928658 -13.26075917
0.00023238 -0.00007979 0.00005212
-0.03777065 0.03139864 0.00058000
4.87001221 -8.45317377 -5.72239079
0.00004909 0.00017651 0.00021967
-0.00960182 -0.00107878 -0.02522653
18.56409164 0.74627575 24.82654907
0.00006734 0.00040452 -0.00023472
-0.01852574 0.01925091 0.00210541
-8.13267387 3.14529867 1.02912988
-0.00058391 -0.00003370 0.00026042
0.01019920 0.01339259 -0.00775563
-7.89786942 14.20699090 -10.63038262
0.00033455 0.00004551 0.00037589
-0.01756910 -0.00061361 0.02358175
1.68246651 11.35795892 -9.01937510
0.00009483 0.00013742 0.00031143
-0.00342131 0.01764268 0.00719387
-11.86624878 9.95167545 -13.81778295
0.00014543 0.00031929 -0.00012010
0.00227003 -0.02489424 0.04711797
7.27844637 4.19902476 14.71462301
-0.00037309 0.00031576 -0.00005176
-0.01148040 0.06649644 -0.00696363
-14.58894300 9.41746271 -9.37556996
-0.00007935 -0.00029260 0.00051534
-0.04584550 -0.00516137 0.00254616
8.51452049 8.37164606 -3.10039136
0.00012304 -0.00015938 0.00004118
0.03980908 0.00055404 0.02646580
13.66846308 -20.37636430 -25.72979243
0.00017053 -0.00005973 0.00007601
-0.01958523 -0.00057254 -0.01461057
6.35520625 6.48265294 2.72018055
0.00003989 0.00022266 -0.00023579
-0.03679791 -0.05347134 -0.00796327
19.23298313 -5.76750245 -6.45859141
-0.00018529 0.00003628 -0.00038262
0.04003067 -0.02929781 0.00103889
-1.75379433 0.10412286 -2.45401902
0.00001434 -0.00015151 -0.00029609
0.05585704 -0.00762030 -0.03192721
2.43069450 -1.92475163 -12.42019231
-0.00013903 -0.00001458 0.00039700
-0.04511176 0.00743231 0.02115329
20.60442132 9.34545467 -5.23899223
-0.00057118 0.00021940 0.00001818
0.00286172 -0.03922414 -0.03440965
-7.46995237 6.48249895 9.43002407
0.00002814 -0.00002675 -0.00014071
-0.01021625 -0.00936383 0.00392061
-2.68528212 -14.60890847 11.61939154
0.00004246 -0.00000828 -0.00032971
-0.01700591 0.00716438 0.01271520
8.14902539 0.44646676 -4.97030629
-0.00004816 -0.00014308 -0.00011878
0.00419479 -0.02326129 0.03317306
-0.01384328 -10.02043578 0.51900877
-0.00008172 -0.00010733 -0.00012306
-0.00571018 -0.00682937 -0.01508377
-20.06462632 -1.46938628 4.75729268
-0.00013334 0.00020409 0.00015737
0.01720188 -0.03721730 -0.01589619
-4.70055856 7.63552738 -23.47538640
0.00011773 -0.00018247 -0.00025616
-0.04347501 -0.04035396 0.02562978
2.56674770 2.40889834 -1.44079466
-0.00002927 -0.00026278 0.00042034
0.02951104 0.01069069 0.00862585
15.51045559 7.57230685 4.69524022
0.00000125 -0.00025279 -0.00005154
0.01503222 0.05362917 -0.02430181
-9.35392489 -4.90788063 7.41139409
-0.00046448 0.00085539 -0.00018911
0.01913418 -0.01201000 0.00772073
-10.57356242 -3.79490343 4.93759244
0.00042743 0.00063027 -0.00006600
0.00566659 -0.01051947 0.01751014
-12.95035025 4.80394209 8.94671571
0.00056100 -0.00044159 -0.00094647
-0.01508203 -0.00902933 0.00524657
-13.39851081 1.99623209 8.65664813
-0.00020821 0.00045049 0.00012371
-0.00845568 0.00895672 0.00333527
-14.77630026 1.19516367 4.83118686
-0.00037617 0.00138130 0.00113332
0.01425650 0.00075195 0.02261764
-17.25652060 -0.10928571 4.00958167
-0.00009299 -0.00022739 0.00031660
0.02315878 0.03106304 -0.00942391
2.57242298 -21.17231239 11.67272072
0.00123333 -0.00020110 0.00003268
0.00525308 -0.02567175 -0.01841465
3.57035499 -20.18615127 14.31463491
0.00011048 0.00023418 0.00051247
-0.02406954 0.01162151 -0.04138082
8.67553447 18.78183301 0.78195972
-0.00071799 0.00026794 0.00112704
0.00036235 0.01562648 0.00358647
8.65076866 21.68243196 1.81370119
-0.00058148 -0.00050468 0.00045626
-0.01771950 0.00117654 0.00630031
-10.59302120 12.25087178 16.40090741
-0.00039659 -0.00088387 0.00041390
-0.00313394 -0.00359001 -0.00305933
-12.57965273 14.24780461 15.76428713
0.00011789 -0.00022439 0.00046926
0.00893494 -0.01920392 -0.01643729
-5.72063452 0.22677086 -13.17643651
0.00098230 -0.00003264 -0.00045608
0.01085161 -0.02099151 -0.01714243
-6.69564501 0.82045806 -10.57417082
-0.00046044 -0.00000052 0.00021812
-0.01185907 -0.02236745 0.04606986
-6.72904306 6.45266081 -4.85541881
-0.00001491 -0.00070970 0.00008670
-0.00469650 0.00684204 -0.00536492
-9.22729131 7.73205533 -5.52217010
0.00012762 0.00033512 0.00038288
0.02117702 0.00100064 -0.00660099
-8.72963015 -3.40539135 19.01471196
0.00012976 0.00025451 0.00062004
0.02445245 -0.01982489 -0.02300951
-7.70174741 -6.18975203 18.61040856
-0.00008674 0.00014847 0.00000721
-0.00272464 0.02103218 -0.00802056
-23.20640202 -3.34030915 -23.42597293
0.00011070 -0.00046199 0.00099281
-0.00168216 0.01407017 -0.00956265
-23.34334453 -4.38110087 -20.76739015
0.00094751 -0.00030151 0.00001028
-0.00170806 -0.00042999 0.00291698
6.78296321 13.25854878 4.26416875
-0.00069442 0.00007718 0.00033134
-0.00202088 0.00000362 0.01604665
8.07207355 11.62015453 6.30555830
0.00063805 -0.00016441 0.00049876
-0.00363783 0.00358321 0.00915030
24.52986158 28.74939509 -2.05162771
0.00048982 -0.00017492 -0.00030778
0.00197692 -0.02077008 0.00497251
23.78243522 31.54335387 -1.60741879
0.00019213 0.00028957 0.00001138
0.01791517 -0.01405792 -0.01858499
9.44863685 -2.39012340 -14.33279692
0.00011126 0.00050267 -0.00151372
-0.00899213 0.00230644 0.00010622
7.53626106 -0.69610560 -12.71435184
0.00119991 -0.00076686 -0.00071488
-0.00430189 -0.00919776 0.00714704
-7.37205308 -0.30471612 16.10012163
0.00003749 0.00114051 0.00050281
0.00637034 0.00090763 -0.01351076
-8.35863813 -2.39336793 14.27663257
-0.00090571 -0.00021346 -0.00149057
0.03152768 0.03276963 0.00188228
-2.51275339 -26.74202635 13.00364838
0.00019208 0.00050985 -0.00033827
-0.01289776 -0.00509429 0.00434323
-3.16380470 -25.94454926 9.93509396
0.00017459 0.00035937 -0.00017006
0.00353224 -0.00642268 0.01939966
-13.90461269 -2.92492636 -6.42052214
-0.00098852 0.00051547 0.00053354
-0.00815047 -0.00891505 -0.00333141
-15.01678732 -4.47468816 -8.72214530
0.00012899 -0.00011350 0.00029855
0.00257160 -0.00193886 -0.00391221
-18.77622593 -11.50175095 -16.69022393
-0.00122656 0.00104691 0.00042057
-0.03052489 -0.02054339 -0.03587978
-18.87014628 -13.89228783 -18.29495742
-0.00027082 0.00039309 -0.00020972
0.00050150 0.00524957 -0.00345987
23.23195002 3.50624356 1.34048973
0.00087193 -0.00156093 -0.00010981
0.00540916 -0.00333093 -0.00520350
23.09170048 5.29048690 3.68497569
-0.00078594 -0.00028827 0.00103420
-0.00455602 -0.00979392 0.00021127
16.27569022 -9.61515098 -13.19903072
-0.00019994 -0.00096359 -0.00008888
0.03260892 -0.00479468 -0.03274319
17.49667666 -9.49973029 -16.12001769
-0.00073379 -0.00114000 0.00046696
-0.00428913 -0.00288227 0.02379763
-0.58196013 2.55124675 -7.88284932
0.00033475 -0.00021401 -0.00070502
-0.00119550 -0.01102401 -0.00237681
-2.61368753 0.39836578 -8.17692995
0.00116765 -0.00085336 0.00116542
0.00453785 0.02132227 0.01272749
-5.74769985 -3.07875254 -16.53954909
0.00006718 -0.00062906 -0.00027156
0.02801800 -0.00069537 0.01200502
-3.07755309 -1.96191859 -16.70846000
-0.00054420 0.00051040 0.00010990
-0.00383738 0.00421550 -0.00283172
12.80552345 18.66870940 -21.19871216
0.00017669 0.00075615 0.00064154
0.01245207 -0.00767004 0.01327112
11.84691494 16.23873749 -20.36948006
0.00053622 -0.00015162 0.00087754
-0.00583724 -0.01533389 0.00119590
-15.36256496 15.44336322 -13.41843800
0.00074530 -0.00029158 -0.00174989
0.00628865 0.00566707 0.00302842
-17.97964425 15.02574637 -12.62014300
0.00000258 0.00012896 -0.00000001
0.01938773 0.01314460 0.01994640
2.59437294 15.19748943 6.44972281
0.00048927 0.00025452 -0.00029605
0.00783108 -0.01583121 -0.01905343
0.60132851 15.70302015 8.14648000
0.00025201 0.00110479 0.00041837
-0.03062732 0.01432094 0.02067128
-6.45194092 -8.34840647 1.27367096
0.00055346 -0.00051339 -0.00016464
0.04305015 -0.02388992 0.01983317
-3.45038336 -9.18315264 1.63391227
-0.00006065 -0.00066695 0.00037110
0.00560989 0.00376220 -0.01058874
2.56555587 -4.40195155 2.79995025
-0.00028363 -0.00110020 -0.00032253
0.01270122 -0.06271752 -0.00072905
4.50057624 -5.98258984 1.36929553
-0.00041057 -0.00035419 -0.00002780
0.00922463 -0.01329975 -0.00323055
9.27470209 5.87588875 4.28283643
-0.00041555 -0.00023841 0.00033291
0.02853546 -0.01918479 0.00010489
12.25112106 6.02979169 4.70931840
-0.00035600 0.00048903 0.00005512
0.00413943 0.00461486 0.00270957
-7.70144740 -11.32987127 -1.98837914
-0.00014277 0.00116450 -0.00035721
-0.00037460 0.02509481 -0.02434630
-9.85002131 -9.63824333 -1.29230658
0.00056396 0.00006410 0.00003316
0.00093733 0.01278827 -0.01468456
4.57915991 -16.75392869 -13.93787056
-0.00013343 0.00080152 -0.00187976
0.02402327 -0.01796840 0.00255016
2.74048964 -16.61315747 -11.59765565
0.00031000 -0.00012696 0.00181132
0.01045858 -0.01165253 -0.00208884
5.92655417 -6.98520999 -6.15611029
-0.00072026 -0.00052537 -0.00016613
-0.00482436 -0.00254956 0.01534865
4.86491934 -8.79122553 -3.96430608
-0.00009584 0.00052036 0.00134239
0.00681844 0.00647704 0.01545766
16.95583898 1.59273263 24.38276724
-0.00070319 -0.00037266 0.00033662
0.00138949 -0.01461032 0.00016376
19.45819630 2.26902493 25.37034532
0.00073072 0.00015598 -0.00090719
0.01210173 -0.00971486 -0.00289704
-9.56989401 3.00120859 2.12243574
-0.00005170 0.00031334 -0.00004021
-0.01170457 0.00576439 0.01416474
-7.83468719 4.96909277 0.90443582
0.00031150 -0.00024915 -0.00057872
0.00428456 -0.01253245 0.00355648
-6.60808908 14.80708661 -9.44662597
-0.00017024 -0.00111111 -0.00016271
-0.01185295 -0.00539254 -0.00582730
-9.47399451 13.82841431 -9.55633243
0.00041834 0.00013923 0.00014210
0.03270546 0.00346678 -0.01937951
0.06497597 11.01225806 -8.21526479
-0.00008024 -0.00038114 -0.00058700
0.00590837 -0.00317314 0.00251660
2.39496903 12.67959924 -7.87146905
0.00006544 -0.00041338 -0.00074049
0.00261473 -0.01737458 -0.01283577
-10.38832108 8.78350476 -13.68910193
0.00032120 -0.00004948 0.00033023
-0.01666107 0.01725119 -0.00417611
-12.67881047 9.79739166 -12.01040319
0.00079394 0.00001585 -0.00048238
0.01262960 0.00591190 -0.04490901
7.13078119 6.10332952 14.94367646
-0.00012984 0.00001055 0.00118606
0.00671446 -0.03583682 0.00381372
7.39588928 4.25083976 12.88040069
-0.00082083 -0.00028587 -0.00010652
0.00480165 -0.01877350 -0.00563832
-14.12638981 10.71738504 -8.13878237
-0.00015095 -0.00016633 -0.00100901
0.00809233 -0.00070597 -0.00284369
-16.47772615 9.59340089 -9.51840120
-0.00006403 0.00088461 -0.00046190
0.03098604 -0.00127304 -0.00242089
8.82163698 9.80913125 -1.99669674
-0.00066780 -0.00038580 -0.00045277
0.00875792 -0.00357699 -0.00093672
6.89656939 8.81063505 -3.57105863
-0.00025466 -0.00057937 -0.00223849
-0.05131095 0.00375541 -0.02151811
12.07523241 -20.50475306 -26.67084859
-0.00007577 0.00019262 -0.00051010
0.00943436 0.00331672 0.00952979
13.24236113 -19.67508807 -24.04282720
0.00057088 0.00001670 -0.00040297
0.01009307 -0.01022838 -0.00739798
5.62242175 4.62996418 2.66788409
-0.00054747 0.00008981 -0.00012099
0.02631221 0.03868351 0.01555649
6.36043509 6.74612897 0.91914946
-0.00053341 0.00091708 0.00027787
0.00916162 0.01194617 -0.00536022
20.54719813 -6.67441778 -5.45420802
0.00048439 0.00003730 -0.00033729
-0.02563105 0.01611177 -0.01507350
18.05046622 -5.05151032 -5.33273208
-0.00073571 -0.00050949 0.00002280
-0.01832982 0.01232899 0.02008740
-3.10196272 0.09581639 -1.35486823
0.00081266 -0.00033252 0.00013417
-0.04146365 0.01134402 0.02465620
-1.97407859 0.88793818 -4.12392493
-0.00035041 0.00066844 0.00027546
-0.01876602 -0.00410170 -0.00019172
3.52495404 -3.31611805 -12.10572115
-0.00099963 0.00053666 -0.00000404
0.02461991 -0.01626012 -0.00023149
0.80580263 -2.46361308 -11.46381600
0.00034482 0.00061560 0.00006455
0.02151876 0.00484508 -0.02336036
20.37924142 8.16945188 -6.75815862
-0.00091106 -0.00028450 0.00001543
-0.00068129 0.02872458 0.03138144
22.25453037 8.71938913 -4.53655860
-0.00006578 -0.00107559 -0.00021030
-0.01334331 0.00783539 -0.00818533
-7.57052227 4.68061153 8.97692218
-0.00023251 0.00002911 -0.00035262
0.00453180 0.00550281 0.00280961
-7.29428313 6.34904537 11.23702067
0.00001688 -0.00045799 0.00119102
-0.00623334 0.00181544 0.00282589
-3.08384461 -16.36342588 11.93185137
0.00032034 -0.00035082 -0.00059315
0.00435667 -0.00371565 -0.00390906
-4.35280143 -13.81218149 11.84147016
0.00030187 0.00100724 -0.00010594
0.01894282 -0.00327579 -0.00417765
8.12030330 0.14881545 -3.10129786
0.00046504 0.00028370 0.00083506
-0.00071197 0.01298368 -0.03334462
7.62416370 2.16635017 -5.57585745
-0.00008153 0.00082694 -0.00014243
0.00583597 -0.01073793 0.00794761
1.09136734 -10.53507844 1.90846615
0.00081311 -0.00075113 -0.00073064
-0.00052712 0.00547283 0.00109477
0.42562610 -8.32224896 -0.05408822
-0.00087279 -0.00008013 0.00037184
0.00098667 -0.00532913 0.01037025
-19.84405432 -1.47916503 6.56870864
-0.00017895 0.00040333 -0.00037303
-0.00220265 -0.00160141 0.02163926
-20.74084476 0.08109575 4.27659274
-0.00080824 0.00043394 -0.00022686
-0.02158565 0.04118955 -0.00820547
-3.71394107 7.92851748 -24.89784186
-0.00007572 0.00129815 0.00007338
0.03005745 0.02405277 -0.03114723
-4.47839937 8.83258554 -22.18715983
0.00014852 0.00091485 -0.00092367
0.01352746 0.02185009 0.01172202
3.54519849 0.87728836 -1.03731826
0.00120986 -0.00003838 0.00076744
-0.02097479 0.01628835 -0.00983302
0.92913081 2.04989147 -2.16314130
-0.00011244 -0.00013789 -0.00039596
-0.00512700 -0.02447417 0.00269697
16.28373748 7.63076861 6.36492554
-0.00011890 -0.00062592 0.00070784
-0.00790343 -0.00087315 -0.00231935
15.87585760 9.37540364 4.00235121
-0.00010759 0.00011134 -0.00063248
-0.01051582 -0.04888974 0.01645280
-0.34899612 -11.81956170 -13.41248240
-0.00003627 0.00002126 0.00024651
0.00518278 -0.00360144 0.00036742
-13.93009007 14.55112359 22.10080701
-0.00001944 -0.00009562 0.00014028
0.00309682 -0.00115723 0.00145724
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02711507
0.32203650
429.09749370
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1377825852
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.2671921255 (a.u.)
total exchange computation time: 2.6980459690 s
-153.6655510008
-931.35196434
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1377825852
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.2676798138 (a.u.)
total exchange computation time: 2.7018740177 s
-153.6628791559
Anderson extrapolation: theta=1.3497549887 (1.3497549887)
-931.35222791
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1377825852
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.2683020761 (a.u.)
total exchange computation time: 2.6974270344 s
-153.6595821080
Anderson extrapolation: theta=0.0499245229 (0.0499245229)
-931.35238509
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1377825852
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.2682971784 (a.u.)
total exchange computation time: 2.6977570057 s
-153.6597526324
Anderson extrapolation: theta=1.8753080049 (1.8753080049)
-931.35239058
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1377825852
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.2682712606 (a.u.)
total exchange computation time: 2.6999771595 s
-153.6601440750
Anderson extrapolation: theta=0.2104627865 (0.2104627865)
-931.35239588
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1377825852
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.2682602058 (a.u.)
total exchange computation time: 2.6972579956 s
-153.6602092782
Anderson extrapolation: theta=1.9142852401 (1.9142852401)
-931.35239679
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1377825852
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.2682503038 (a.u.)
total exchange computation time: 2.6983671188 s
-153.6601901037
Anderson extrapolation: theta=0.2871589530 (0.2871589530)
-931.35239786
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1377825852
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.2682587811 (a.u.)
total exchange computation time: 2.6983318329 s
-153.6600525936
Anderson extrapolation: theta=1.3276027732 (1.3276027732)
-931.35239811
-209.252238 50.672532 -160.546607
-134.276617 459.640155 -798.579278
-343.528855 510.312687 -959.125885
1139.453191
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1377825852
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.2682775285 (a.u.)
total exchange computation time: 2.6980860233 s
677.34614477
-1080.58577116
89.93464328
-391.22910409
-174.55003354
76.52613851
551.60419304
0.00000000
-931.35239827
-10.85512766 -4.23137195 6.73694483
-0.00020696 -0.00004247 0.00001886
-0.01715662 0.01332587 -0.02604609
-14.17185361 3.48842809 9.45845446
0.00019385 0.00004609 -0.00019578
0.02552018 0.01704292 -0.01134106
-15.97348548 1.30007965 3.50780521
-0.00004051 0.00016657 -0.00022958
-0.03271263 -0.02829953 -0.00937512
2.41816764 -19.80621339 12.80918151
0.00020022 -0.00001504 -0.00002215
0.02321835 0.01749885 0.05940751
9.57236097 20.41843760 0.89555775
0.00026806 -0.00011740 0.00036215
0.00884377 -0.01707569 -0.01782136
-11.83438090 12.64598451 15.07686937
-0.00058123 -0.00024838 0.00003214
0.01014780 0.03296886 0.02509776
-6.34349759 1.52254203 -12.15127094
0.00019922 -0.00011827 -0.00036325
0.00044965 0.03946900 -0.03115160
-7.39643117 7.81942136 -5.89894332
0.00000187 0.00004815 -0.00008127
-0.02043276 -0.01515508 0.00465224
-7.63388751 -4.44811181 17.85884818
-0.00013449 0.00032569 -0.00023835
-0.02443952 -0.01158283 0.03832420
-23.43638451 -4.88535910 -22.51077803
-0.00017959 -0.00041046 -0.00028299
-0.00290138 -0.01322494 0.00587251
6.63848713 12.78566282 6.06673093
-0.00004652 0.00002769 -0.00007896
0.00862585 -0.00880611 -0.02078063
24.67114506 30.35147905 -2.84878806
0.00011203 0.00023536 -0.00023142
-0.01203712 0.03673782 0.02712777
7.91350311 -1.28700285 -14.38124982
0.00002757 0.00018229 -0.00024937
0.00445927 0.00638104 -0.00935278
-7.15991368 -0.89752937 14.34429814
-0.00032777 -0.00014728 0.00019810
-0.03372395 -0.02887145 0.00934486
-1.95648458 -26.23363574 11.33084006
0.00017598 -0.00008209 0.00009299
0.01746511 0.01831803 -0.03673595
-14.23362508 -4.64535288 -7.07434226
0.00027973 0.00014073 0.00010937
0.00546004 0.01530004 0.00423181
-20.01692120 -12.50316695 -17.88265785
0.00009844 -0.00023011 0.00020813
0.03644713 0.02277586 0.04156088
22.65492167 3.61400946 3.07202188
0.00025095 0.00010562 -0.00019259
0.00045352 0.01032425 0.01420409
17.79738470 -10.05993265 -14.35259228
-0.00011475 -0.00026743 -0.00007879
-0.02991054 0.00840146 0.01349558
-2.17639967 1.92358838 -7.17057925
0.00020082 -0.00018851 0.00037365
-0.00200533 -0.00969967 -0.01339703
-4.10222717 -3.02879183 -15.62570675
-0.00023328 -0.00008480 0.00002849
-0.02608372 -0.00047531 -0.00916236
13.39563619 17.18856566 -20.20965352
-0.00019693 0.00014623 0.00029036
-0.00023182 0.02242181 -0.01363494
-16.45497945 16.05728216 -12.06684355
0.00045806 0.00010976 0.00007528
-0.02049536 -0.02364804 -0.02127766
1.48544690 14.27440971 7.55534400
0.00067981 0.00025760 -0.00011588
0.01100916 0.01070073 -0.00251109
-5.18503095 -9.58705479 2.06505786
-0.00031655 0.00001134 0.00015140
-0.04007568 0.01298366 -0.00157413
3.09327770 -6.32936191 2.48374155
-0.00006321 -0.00020678 0.00017316
-0.01469028 0.07566423 0.01357167
10.86028183 4.84038345 4.61222392
0.00001501 0.00012114 -0.00039525
-0.02961327 0.01305820 -0.00005380
-8.53362742 -9.72994135 -2.61402696
0.00009769 0.00006297 -0.00034276
-0.00473725 -0.02912231 0.03144618
3.13702845 -15.99036237 -13.25997509
0.00021223 -0.00006449 0.00005499
-0.04056881 0.02812560 0.01055438
4.87071148 -8.45053035 -5.71919309
0.00004317 0.00017419 0.00020931
-0.01339762 -0.00790803 -0.01503143
18.56503027 0.75241780 24.82303645
0.00005754 0.00041408 -0.00023372
-0.01956796 0.01790986 0.00175240
-8.14139317 3.14484486 1.03300631
-0.00057749 -0.00002692 0.00025553
0.01475440 0.01296057 -0.01126324
-7.89291887 14.20767116 -10.62465326
0.00032432 0.00004454 0.00038660
-0.02222160 -0.00315167 0.01804757
1.68387583 11.36008833 -9.01467593
0.00009275 0.00014525 0.00031375
-0.00469617 0.01279218 0.00184057
-11.86405856 9.95636875 -13.81940268
0.00014735 0.00030610 -0.00009623
0.00518794 -0.02637778 0.04570227
7.27280577 4.20401764 14.71381976
-0.00037897 0.00034930 -0.00005500
-0.01140938 0.06392638 -0.00562937
-14.59031004 9.41305375 -9.36783004
-0.00010355 -0.00029624 0.00051538
-0.04828300 -0.00897429 -0.00237982
8.51651959 8.36925747 -3.09967152
0.00014091 -0.00015953 0.00005339
0.02970030 -0.00115067 0.02098680
13.67094548 -20.37726253 -25.72870869
0.00016009 -0.00006035 0.00006725
-0.02099841 -0.00183314 -0.01942946
6.35566269 6.48578663 2.71661295
0.00002078 0.00019491 -0.00023899
-0.03751316 -0.05446111 -0.00445541
19.23035816 -5.76707131 -6.46432675
-0.00016491 0.00002132 -0.00038109
0.03923600 -0.02886210 0.00492578
-1.75336372 0.10182079 -2.45858348
0.00004352 -0.00015547 -0.00031273
0.05760923 -0.00775847 -0.03277707
2.42843504 -1.92494173 -12.41415571
-0.00016276 -0.00000890 0.00040711
-0.04714933 0.01467115 0.01815435
20.59586463 9.34859441 -5.23885229
-0.00056879 0.00019852 0.00000058
0.00645623 -0.04197407 -0.03400920
-7.46956960 6.48206155 9.42792860
0.00002308 -0.00003164 -0.00013611
-0.00948700 -0.00964952 0.01396966
-2.68471078 -14.60900511 11.61449501
0.00003362 -0.00000471 -0.00032308
-0.01736752 0.00673264 0.01302955
8.14831922 0.44423077 -4.97195998
-0.00004634 -0.00015399 -0.00010084
0.00286003 -0.01916310 0.03656881
-0.01509108 -10.02207214 0.51710464
-0.00008455 -0.00011159 -0.00013028
-0.00530320 -0.00970068 -0.01299178
-20.06655999 -1.46646843 4.75959191
-0.00012514 0.00018635 0.00014789
0.01464867 -0.03177748 -0.02097958
-4.69896035 7.63263469 -23.47912994
0.00009580 -0.00020256 -0.00024235
-0.04177635 -0.03776609 0.02805433
2.56642243 2.40499787 -1.43445632
-0.00001422 -0.00025783 0.00042485
0.02902735 0.00856537 0.00890837
15.51053229 7.56872181 4.69437331
0.00000936 -0.00022494 -0.00006331
0.01651528 0.05467396 -0.02144487
-9.36030570 -4.89541779 7.40879401
-0.00037661 0.00080235 -0.00015234
0.02387824 -0.01395339 0.01027885
-10.56697735 -3.78577179 4.93713894
0.00044919 0.00058610 0.00000874
0.00498444 -0.01109876 0.01907878
-12.94239744 4.79704150 8.93267949
0.00049822 -0.00047800 -0.00092379
-0.01564857 -0.00879109 0.00585156
-13.40189309 2.00326386 8.65860604
-0.00023980 0.00047917 0.00013420
-0.00700567 0.00508421 0.00179773
-14.78150601 1.21590624 4.84887978
-0.00032700 0.00138477 0.00121538
0.00981202 0.00094518 0.01755119
-17.25720573 -0.11174476 4.01404184
0.00000300 -0.00009813 0.00027709
0.02382540 0.03221093 -0.00991283
2.59108386 -21.17611555 11.67264667
0.00125422 -0.00030253 -0.00004017
0.00497493 -0.02398115 -0.01724693
3.57127462 -20.18228240 14.32105399
0.00001093 0.00028204 0.00034173
-0.02465858 0.01180593 -0.04219762
8.66477576 18.78633093 0.79897520
-0.00071359 0.00033114 0.00114001
0.00178863 0.01531234 0.00276112
8.64150351 21.67489781 1.82073809
-0.00065053 -0.00049982 0.00048056
-0.01608399 0.00120242 0.00559583
-10.59906603 12.23750367 16.40702221
-0.00041430 -0.00089664 0.00039571
-0.00553719 -0.00265755 -0.00584623
-12.57761059 14.24385025 15.77082232
0.00015296 -0.00030129 0.00040232
0.00823150 -0.01843862 -0.01632746
-5.70556743 0.22563805 -13.18380298
0.00102430 -0.00011452 -0.00052122
0.00970627 -0.01909104 -0.01474223
-6.70291506 0.81976484 -10.56948729
-0.00050573 -0.00008813 0.00039445
-0.01031059 -0.02051663 0.04024451
-6.72941067 6.44222500 -4.85428270
-0.00003700 -0.00067473 0.00005970
-0.00611353 0.01027334 -0.00785327
-9.22472806 7.73711280 -5.51662914
0.00021271 0.00033923 0.00035590
0.02047577 0.00101189 -0.00660831
-8.72693442 -3.40218125 19.02330746
0.00023103 0.00017253 0.00052332
0.02512112 -0.02030530 -0.02433449
-7.70313204 -6.18688042 18.61027091
-0.00009767 0.00023667 -0.00002704
-0.00262233 0.02214017 -0.00874514
-23.20479314 -3.34680787 -23.41137382
0.00010522 -0.00039630 0.00094616
-0.00099695 0.01808840 -0.01327475
-23.32918419 -4.38563670 -20.76714653
0.00093967 -0.00030658 0.00001734
-0.00212888 -0.00205323 0.00054005
6.77248498 13.25970653 4.26963052
-0.00070074 0.00007775 0.00039113
-0.00107067 0.00027837 0.01322064
8.08153286 11.61779818 6.31332013
0.00061593 -0.00014378 0.00053339
-0.00719097 0.00651294 0.00779957
24.53726944 28.74613489 -2.05609207
0.00049813 -0.00025413 -0.00028947
0.00208988 -0.01800561 0.00398919
23.78586608 31.54726661 -1.60781753
0.00026534 0.00023095 -0.00006560
0.01792563 -0.01463632 -0.01909785
9.45003024 -2.38251263 -14.35549949
0.00007600 0.00051051 -0.00151230
-0.00827085 0.00152861 0.00058932
7.55412786 -0.70789032 -12.72485596
0.00117897 -0.00079912 -0.00067020
-0.00594620 -0.00659551 0.01472085
-7.37129549 -0.28758059 16.10724971
0.00006188 0.00113796 0.00043998
0.00556694 -0.00215854 -0.01724435
-8.37125772 -2.39556568 14.25433162
-0.00077420 -0.00007482 -0.00147783
0.03284935 0.03509857 0.00435621
-2.51026736 -26.73453477 12.99870739
0.00013630 0.00048686 -0.00031346
-0.01440834 -0.00615923 0.00780412
-3.16107766 -25.93935552 9.93313759
0.00019069 0.00033243 -0.00008803
0.00434817 -0.00676456 0.02075179
-13.91969027 -2.91746755 -6.41262115
-0.00102155 0.00047606 0.00051848
-0.00801893 -0.01037568 -0.00404074
-15.01477370 -4.47645013 -8.71778697
0.00013873 -0.00012116 0.00028072
0.00219512 -0.00180971 -0.00481280
-18.79555972 -11.48667688 -16.68501491
-0.00134844 0.00095994 0.00027342
-0.02913560 -0.02202813 -0.03614832
-18.87419327 -13.88623058 -18.29820922
-0.00026227 0.00040931 -0.00022397
0.00368602 0.00268655 -0.00351441
23.24519477 3.48272752 1.33868320
0.00089440 -0.00157038 -0.00012805
0.00558634 -0.00129544 -0.00372629
23.07977175 5.28586275 3.70049510
-0.00080243 -0.00032567 0.00103236
-0.00351640 -0.00851490 -0.00110778
16.27369041 -9.62975178 -13.20136727
-0.00006753 -0.00098223 -0.00022161
0.03220540 -0.00432664 -0.03222868
17.48553840 -9.51691867 -16.11228404
-0.00075216 -0.00114882 0.00055548
-0.00470475 -0.00143279 0.01953271
-0.57697554 2.54769880 -7.89349746
0.00032448 -0.00026049 -0.00071091
-0.00383036 -0.01173061 -0.00050798
-2.59603371 0.38621877 -8.15905864
0.00118417 -0.00076793 0.00121626
0.00354804 0.02049391 0.01215985
-5.74583354 -3.08820969 -16.54325458
0.00017951 -0.00063206 -0.00022301
0.02696646 -0.00077541 0.01175847
-3.08583364 -1.95413343 -16.70689831
-0.00056048 0.00052656 0.00009934
-0.00413235 0.00369532 -0.00233645
12.80855530 18.67981668 -21.18868238
0.00022614 0.00072115 0.00069662
0.01175544 -0.00946587 0.01369225
11.85477942 16.23599337 -20.35628035
0.00050589 -0.00021616 0.00088070
-0.00901117 -0.01626136 0.00035230
-15.35119272 15.43916320 -13.44459350
0.00075688 -0.00026192 -0.00172099
-0.00061941 0.00884937 0.01111848
-17.97901146 15.02808356 -12.61953190
0.00008522 0.00018435 0.00008205
0.02106358 0.01396720 0.02022177
2.60195197 15.20082204 6.44469819
0.00052069 0.00019041 -0.00037318
0.00754997 -0.01554702 -0.01870315
0.60417018 15.72003088 8.15338900
0.00013772 0.00114711 0.00049547
-0.02531955 0.00639389 0.01707039
-6.44231983 -8.35683935 1.27180913
0.00072331 -0.00060530 -0.00008669
0.04009238 -0.02110346 0.01832227
-3.45112114 -9.19304155 1.63915433
-0.00003849 -0.00065171 0.00032816
0.00523544 0.00369821 -0.01043187
2.56169060 -4.42037639 2.79508993
-0.00023303 -0.00134976 -0.00032398
0.01207006 -0.05944524 0.00001866
4.49470030 -5.98831024 1.36877946
-0.00037059 -0.00040830 -0.00004268
0.01034652 -0.01318854 -0.00404919
9.26934328 5.87172466 4.28783330
-0.00029856 -0.00031621 0.00033237
0.02872957 -0.01889798 -0.00036831
12.24590793 6.03726858 4.71022826
-0.00033871 0.00050787 0.00006586
0.00432291 0.00460539 0.00254419
-7.70360039 -11.31163473 -1.99448331
-0.00013818 0.00125572 -0.00045342
0.00261982 0.01955621 -0.02274759
-9.84153318 -9.63688993 -1.29225923
0.00056606 0.00011718 -0.00002650
0.00009126 0.01319554 -0.01451832
4.57789461 -16.74245657 -13.96598881
-0.00003761 0.00072825 -0.00186598
0.02288299 -0.01789454 0.00419317
2.74546017 -16.61541891 -11.57054988
0.00036049 -0.00016800 0.00177900
0.01425725 -0.00843738 -0.01373152
5.91560251 -6.99316863 -6.15813189
-0.00073242 -0.00052612 -0.00010555
-0.00113283 0.00218129 0.01430704
4.86369069 -8.78322168 -3.94369650
-0.00006748 0.00055081 0.00138682
0.00706329 0.00843069 0.00629125
16.94533375 1.58669502 24.38782161
-0.00069395 -0.00043140 0.00033830
0.00313223 -0.01414432 0.00065533
19.46952797 2.27106688 25.35664877
0.00077885 0.00011817 -0.00091916
0.01145575 -0.00879387 -0.00296260
-9.57102814 3.00608538 2.12226660
-0.00010712 0.00033716 0.00002313
-0.01542270 0.00589518 0.01684065
-7.82988343 4.96497151 0.89586396
0.00032809 -0.00029999 -0.00056315
0.00383539 -0.01235241 0.00406814
-6.61100593 14.79025473 -9.44924523
-0.00020697 -0.00112744 -0.00017626
-0.00612455 -0.00260117 -0.00080366
-9.46671719 13.83060894 -9.55479473
0.00054955 0.00015285 0.00006418
0.03152085 0.00320093 -0.01876469
0.06395346 11.00644374 -8.22399263
-0.00005689 -0.00039314 -0.00057450
0.00552141 -0.00269992 0.00359903
2.39603077 12.67286614 -7.88296976
0.00007908 -0.00047547 -0.00078395
0.00406212 -0.01302139 -0.00843857
-10.38401358 8.78329117 -13.68427643
0.00025069 0.00002343 0.00031148
-0.01785635 0.01844076 -0.00500153
-12.66651435 9.79781054 -12.01901503
0.00084220 0.00004061 -0.00066128
0.01099269 0.00620751 -0.04266390
7.12903929 6.10238969 14.96158426
-0.00010242 -0.00013387 0.00119827
0.00670944 -0.03485877 0.00216294
7.38372391 4.24597649 12.87863018
-0.00080115 -0.00035983 -0.00012852
0.00483172 -0.01743400 -0.00513178
-14.12840604 10.71486853 -8.15400466
-0.00011455 -0.00016009 -0.00101140
0.00972185 0.00375692 0.00167315
-16.47773716 9.60663099 -9.52540385
0.00006380 0.00087791 -0.00047104
0.03159084 -0.00200468 -0.00205639
8.81188828 9.80323469 -2.00351697
-0.00063213 -0.00039288 -0.00045132
0.00870618 0.00011046 0.00164772
6.89117710 8.80205960 -3.60529534
-0.00044341 -0.00056790 -0.00232038
-0.04107958 0.00185765 -0.01856669
12.07438496 -20.50176213 -26.67820804
-0.00003212 0.00020657 -0.00046701
0.01193191 0.00351250 0.01156174
13.25123364 -19.67515104 -24.04909848
0.00060946 -0.00002292 -0.00042734
0.00879277 -0.00916459 -0.00453167
5.61501595 4.63249671 2.66654588
-0.00043863 0.00024966 -0.00005860
0.02696762 0.03956544 0.01498534
6.35271472 6.76025121 0.92315327
-0.00049590 0.00096601 0.00024992
0.00919867 0.01200819 -0.00832267
20.55367858 -6.67336453 -5.45972925
0.00037567 0.00010559 -0.00040121
-0.02758882 0.01731497 -0.01621724
18.03886885 -5.05877493 -5.33177447
-0.00080494 -0.00046253 0.00009976
-0.01555987 0.01065900 0.01758331
-3.09104339 0.09117621 -1.35210019
0.00063967 -0.00028591 0.00023881
-0.04321466 0.01146956 0.02656626
-1.97990985 0.89783912 -4.11979889
-0.00042694 0.00065200 0.00027312
-0.01869619 -0.00394713 -0.00095217
3.51071408 -3.30856634 -12.10578879
-0.00088858 0.00045747 -0.00000205
0.02973762 -0.02250477 0.00120412
0.81163428 -2.45423062 -11.46356361
0.00042727 0.00063361 -0.00002737
0.01884134 0.00397221 -0.02163295
20.36555470 8.16606466 -6.75696550
-0.00091408 -0.00016514 0.00014517
-0.00080034 0.02970286 0.03212716
22.25313482 8.70349534 -4.53996398
-0.00012655 -0.00103937 -0.00024530
-0.01640624 0.00989434 -0.00894429
-7.57387107 4.68121684 8.97171898
-0.00021379 0.00005106 -0.00034068
0.00463343 0.00524083 0.00303420
-7.29422093 6.34223110 11.25497264
-0.00001034 -0.00044942 0.00118177
-0.00709135 0.00238291 -0.00735682
-3.07890602 -16.36880204 11.92283437
0.00033685 -0.00036134 -0.00060958
0.00372668 -0.00143564 -0.00413504
-4.34769291 -13.79717327 11.83975306
0.00038099 0.00098995 -0.00012307
0.01978650 -0.00518870 -0.00420774
8.12725711 0.15346875 -3.08979372
0.00046227 0.00033718 0.00068954
-0.00064305 0.01319919 -0.03788988
7.62311956 2.17842518 -5.57775033
-0.00005518 0.00077487 -0.00010845
0.00706339 -0.01474688 0.00868298
1.10354787 -10.54617774 1.89754005
0.00080811 -0.00072728 -0.00072795
-0.00192217 0.00620338 0.00022288
0.41256451 -8.32361429 -0.04819281
-0.00086693 -0.00009775 0.00041223
0.00188033 -0.00329144 0.00939776
-19.84680600 -1.47316421 6.56377635
-0.00018729 0.00039722 -0.00027821
-0.00187979 -0.00138856 0.02477465
-20.75362982 0.08886703 4.27293845
-0.00089127 0.00059098 -0.00025645
-0.01905548 0.03568009 -0.00628233
-3.71415577 7.94872674 -24.89769556
0.00004634 0.00139517 -0.00005619
0.02968793 0.02344014 -0.03228027
-4.47575711 8.84697779 -22.20065569
0.00020105 0.00099944 -0.00087841
0.01218813 0.01955891 0.01043468
3.56270364 0.87721183 -1.02610790
0.00111930 0.00003272 0.00072477
-0.02335214 0.01851310 -0.01105768
0.92728715 2.04707323 -2.16899809
-0.00012783 -0.00023858 -0.00038246
-0.00240655 -0.02481758 0.00391351
16.28171179 7.62135311 6.37547203
-0.00015448 -0.00062813 0.00068960
-0.00951364 -0.00021185 -0.00660571
15.87392154 9.37557563 3.99336815
-0.00015032 -0.00009180 -0.00056229
-0.01040015 -0.05055121 0.01790407
-0.34952624 -11.81925240 -13.40878369
-0.00003440 0.00002000 0.00024663
0.00528226 -0.00348876 0.00028840
-13.93037629 14.54968733 22.10291370
-0.00001875 -0.00009590 0.00014062
0.00288101 -0.00124851 0.00149150
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02710766
0.32529061
433.43342370
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1383883180
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.2643243976 (a.u.)
total exchange computation time: 2.7843940258 s
-153.6543757114
-931.35629097
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1383883180
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.2648996598 (a.u.)
total exchange computation time: 2.7856991291 s
-153.6509447393
Anderson extrapolation: theta=1.3517132356 (1.3517132356)
-931.35655148
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1383883180
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.2656382234 (a.u.)
total exchange computation time: 2.7846810818 s
-153.6466335923
Anderson extrapolation: theta=0.0507727761 (0.0507727761)
-931.35670739
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1383883180
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.2656363599 (a.u.)
total exchange computation time: 2.7848410606 s
-153.6467678258
Anderson extrapolation: theta=1.9046533075 (1.9046533075)
-931.35671302
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1383883180
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.2656127674 (a.u.)
total exchange computation time: 2.7857649326 s
-153.6471106265
Anderson extrapolation: theta=0.2145083701 (0.2145083701)
-931.35671866
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1383883180
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.2655993951 (a.u.)
total exchange computation time: 2.7846841812 s
-153.6471795820
Anderson extrapolation: theta=1.9124747580 (1.9124747580)
-931.35671966
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1383883180
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.2655835123 (a.u.)
total exchange computation time: 2.7848598957 s
-153.6471755891
Anderson extrapolation: theta=0.2868522501 (0.2868522501)
-931.35672086
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1383883180
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.2655890983 (a.u.)
total exchange computation time: 2.7843301296 s
-153.6470493344
Anderson extrapolation: theta=1.3238872780 (1.3238872780)
-931.35672113
-209.232690 50.659718 -160.562165
-134.266160 459.654242 -798.609241
-343.498850 510.313960 -959.171405
1139.483033
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1383883180
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.2656033597 (a.u.)
total exchange computation time: 2.7838101387 s
677.30615014
-1080.48189620
89.92858485
-391.30180094
-174.54215579
76.46478710
551.60419304
0.00000000
-931.35672130
-10.85829826 -4.23195756 6.73712732
-0.00021661 -0.00003516 0.00000458
-0.02036962 0.01510548 -0.02951612
-14.16884744 3.48918514 9.45547404
0.00020662 0.00005574 -0.00020122
0.02412528 0.02047674 -0.00982281
-15.97421934 1.30246905 3.50432528
-0.00005619 0.00015179 -0.00023292
-0.02823995 -0.02917883 -0.00360639
2.42126044 -19.80637157 12.80907846
0.00021218 -0.00000671 0.00000788
0.02329884 0.01491107 0.05737490
9.57641595 20.41661072 0.90092120
0.00027180 -0.00012584 0.00035350
0.00570515 -0.01575034 -0.01579012
-11.84306027 12.64238593 15.07744834
-0.00057514 -0.00023193 0.00004562
0.01353381 0.03099703 0.02731178
-6.34050752 1.52092024 -12.15683988
0.00019935 -0.00009930 -0.00037807
0.00003511 0.03429518 -0.02647461
-7.39648188 7.82008508 -5.90014440
-0.00000798 0.00003957 -0.00007837
-0.01789579 -0.01819443 0.00663503
-7.63599911 -4.44327107 17.85542080
-0.00014708 0.00031951 -0.00021830
-0.02452092 -0.01244836 0.03962600
-23.43908947 -4.89156699 -22.51500017
-0.00018112 -0.00041776 -0.00027851
-0.00307602 -0.01516242 0.01153805
6.63782262 12.78604415 6.06546631
-0.00004143 0.00002241 -0.00008845
0.01117596 -0.01171148 -0.01609206
24.67277904 30.35515117 -2.85215467
0.00010575 0.00025336 -0.00021725
-0.01237125 0.03325966 0.02797788
7.91393392 -1.28424392 -14.38502647
0.00003001 0.00018516 -0.00025614
0.00502388 0.00477733 -0.01698030
-7.16496026 -0.89984994 14.34730568
-0.00034506 -0.00016166 0.00020302
-0.03353998 -0.02706278 0.00977768
-1.95377745 -26.23479642 11.33209320
0.00018508 -0.00007241 0.00007300
0.01789065 0.01933912 -0.04099173
-14.22940807 -4.64318288 -7.07268538
0.00028262 0.00014893 0.00011189
0.00576672 0.01656223 0.00555138
-20.01530397 -12.50653070 -17.87937561
0.00011587 -0.00021746 0.00022939
0.03132861 0.02638949 0.04112382
22.65868768 3.61563353 3.06918780
0.00025092 0.00011002 -0.00018549
-0.00059238 0.00678297 0.01341828
17.79554803 -10.06391170 -14.35372208
-0.00012970 -0.00026360 -0.00007084
-0.02821568 0.00647552 0.01740539
-2.17339504 1.92072332 -7.16502623
0.00020070 -0.00019298 0.00036644
0.00151263 -0.00769692 -0.01462223
-4.10582697 -3.03006571 -15.62531479
-0.00024612 -0.00008483 0.00002376
-0.02386601 0.00036426 -0.00923254
13.39268134 17.19084558 -20.20535072
-0.00019609 0.00015831 0.00028350
0.00349732 0.02455640 -0.01305736
-16.44818765 16.05883738 -12.06579636
0.00044879 0.00009677 0.00006246
-0.01552290 -0.02686897 -0.02858887
1.49568654 14.27831498 7.55359609
0.00068410 0.00026502 -0.00011627
0.00567534 0.01815660 0.00099498
-5.18993381 -9.58683466 2.06732280
-0.00033595 0.00001712 0.00015103
-0.03534598 0.00949134 0.00013567
3.09227294 -6.33217168 2.48639134
-0.00007068 -0.00016906 0.00018003
-0.01439040 0.07099152 0.01313562
10.86039270 4.84225089 4.60629492
-0.00000012 0.00012776 -0.00039507
-0.02921890 0.01271227 0.00075719
-8.53218027 -9.72910920 -2.61904706
0.00009459 0.00004952 -0.00032719
-0.00733560 -0.02316413 0.02909683
3.14005540 -15.99122117 -13.25910959
0.00019107 -0.00005091 0.00006252
-0.04170332 0.02465660 0.01872870
4.87130739 -8.44794794 -5.71611135
0.00003527 0.00016835 0.00020419
-0.01732614 -0.01481353 -0.00491064
18.56581795 0.75869802 24.81953736
0.00004726 0.00042288 -0.00023290
-0.02042457 0.01631689 0.00144287
-8.14999864 3.14449104 1.03679584
-0.00056889 -0.00002047 0.00024895
0.01869347 0.01211714 -0.01431683
-7.88813974 14.20832711 -10.61878467
0.00031175 0.00004229 0.00039425
-0.02666299 -0.00559230 0.01172347
1.68524893 11.36231642 -9.00996256
0.00008993 0.00015044 0.00031321
-0.00627469 0.00737386 -0.00394874
-11.86182832 9.96085856 -13.82066983
0.00015072 0.00029230 -0.00007333
0.00792051 -0.02731623 0.04334143
7.26707714 4.20950369 14.71297308
-0.00038479 0.00038126 -0.00005761
-0.01122037 0.06035359 -0.00454377
-14.59204956 9.40857555 -9.36010848
-0.00012882 -0.00030186 0.00051293
-0.04997770 -0.01287450 -0.00714176
8.51874782 8.36686002 -3.09878978
0.00015323 -0.00016055 0.00006253
0.01820435 -0.00278510 0.01455441
13.67326588 -20.37817491 -25.72777484
0.00014908 -0.00006164 0.00005603
-0.02183372 -0.00317905 -0.02422189
6.35582973 6.48850017 2.71301098
0.00000141 0.00016686 -0.00024045
-0.03783567 -0.05462523 -0.00123364
19.22803588 -5.76686284 -6.47002408
-0.00014531 0.00000681 -0.00037754
0.03699214 -0.02755371 0.00889517
-1.75248867 0.09945887 -2.46340081
0.00007307 -0.00015949 -0.00032940
0.05730286 -0.00789905 -0.03206121
2.42581184 -1.92501864 -12.40797904
-0.00018717 0.00000036 0.00041563
-0.04778621 0.02133040 0.01499163
20.58735775 9.35141032 -5.23897472
-0.00056462 0.00017641 -0.00001666
0.00972613 -0.04402647 -0.03304797
-7.46926002 6.48154971 9.42594089
0.00001836 -0.00003662 -0.00012658
-0.00886035 -0.00973113 0.02306892
-2.68427341 -14.60904981 11.60969899
0.00002474 -0.00000142 -0.00031633
-0.01718348 0.00607860 0.01322789
8.14763512 0.44184694 -4.97333155
-0.00004517 -0.00016283 -0.00008141
0.00170672 -0.01519760 0.03898379
-0.01637980 -10.02378334 0.51510027
-0.00008716 -0.00011734 -0.00013641
-0.00485356 -0.01267828 -0.01084100
-20.06838065 -1.46379574 4.76172928
-0.00011841 0.00017170 0.00013588
0.01152564 -0.02519347 -0.02571582
-4.69768442 7.62945064 -23.48265704
0.00007512 -0.00022101 -0.00022763
-0.03866198 -0.03398966 0.02919691
2.56632110 2.40116349 -1.42804926
0.00000040 -0.00025383 0.00042941
0.02783544 0.00697500 0.00885565
15.51073641 7.56555856 4.69334096
0.00001814 -0.00019683 -0.00007357
0.01761966 0.05465603 -0.01845458
-9.36522310 -4.88381010 7.40682387
-0.00027132 0.00074224 -0.00010597
0.02765947 -0.01547012 0.01242084
-10.56008680 -3.77732036 4.93785470
0.00046825 0.00053987 0.00008865
0.00434939 -0.01153333 0.02003582
-12.93540366 4.78960214 8.91900189
0.00043389 -0.00051264 -0.00089894
-0.01584066 -0.00816479 0.00631616
-13.40570472 2.01060722 8.66067411
-0.00026515 0.00049135 0.00013810
-0.00540407 0.00087862 0.00011367
-14.78611041 1.23670673 4.86764835
-0.00029675 0.00138873 0.00127545
0.00499594 0.00099535 0.01185402
-17.25643070 -0.11222973 4.01789448
0.00010064 0.00003464 0.00023595
0.02397405 0.03278488 -0.01022636
2.61004963 -21.18138842 11.67151562
0.00127357 -0.00039504 -0.00010665
0.00449550 -0.02130014 -0.01529312
3.57068302 -20.17769000 14.32488694
-0.00008960 0.00033021 0.00016962
-0.02455442 0.01177066 -0.04205147
8.65412666 18.79176729 0.81615990
-0.00070361 0.00039241 0.00114951
0.00309790 0.01467703 0.00189196
8.63125263 21.66743735 1.82811795
-0.00071228 -0.00049540 0.00050145
-0.01414284 0.00096028 0.00462843
-10.60545022 12.22397270 16.41277871
-0.00044140 -0.00090564 0.00036662
-0.00772941 -0.00174879 -0.00839507
-12.57506396 14.23876587 15.77635685
0.00018467 -0.00037394 0.00033642
0.00728994 -0.01712158 -0.01593308
-5.68990549 0.22333522 -13.19207296
0.00106081 -0.00018726 -0.00057539
0.00816479 -0.01651468 -0.01177552
-6.71081700 0.81781425 -10.56233732
-0.00054386 -0.00016701 0.00054405
-0.00835476 -0.01809853 0.03298793
-6.73015295 6.43241881 -4.85362789
-0.00006438 -0.00062653 0.00002321
-0.00729172 0.01332339 -0.01000755
-9.22090993 7.74223230 -5.51149317
0.00029365 0.00034338 0.00032915
0.01914576 0.00101796 -0.00648422
-8.72269911 -3.40021559 19.03041160
0.00033384 0.00008976 0.00042246
0.02520031 -0.02021019 -0.02503955
-7.70467738 -6.18265192 18.60959731
-0.00010820 0.00032813 -0.00006377
-0.00253517 0.02262962 -0.00923374
-23.20324535 -3.35219802 -23.39758826
0.00010238 -0.00031537 0.00088529
-0.00039541 0.02152748 -0.01651755
-23.31515431 -4.39029837 -20.76686982
0.00093002 -0.00031821 0.00001473
-0.00259850 -0.00363926 -0.00182081
6.76194115 13.26088134 4.27590253
-0.00070311 0.00007968 0.00043844
-0.00008946 0.00066765 0.00994045
8.09055145 11.61584098 6.32155998
0.00057989 -0.00011171 0.00056245
-0.01045012 0.00918829 0.00642374
24.54480538 28.74177120 -2.06031196
0.00050694 -0.00032079 -0.00027575
0.00222464 -0.01462425 0.00272953
23.79039553 31.55028235 -1.60938671
0.00033797 0.00017075 -0.00014376
0.01762527 -0.01483256 -0.01916166
9.45091675 -2.37480817 -14.37816593
0.00004425 0.00051484 -0.00150904
-0.00726774 0.00059172 0.00100900
7.57163025 -0.72007924 -12.73445790
0.00115172 -0.00082105 -0.00059479
-0.00739607 -0.00413737 0.02219480
-7.37019673 -0.27057734 16.11332095
0.00008287 0.00112332 0.00036301
0.00470823 -0.00500652 -0.02042961
-8.38186410 -2.39561238 14.23229765
-0.00063875 0.00007147 -0.00145520
0.03345162 0.03650850 0.00672311
-2.50866435 -26.72742068 12.99424469
0.00007478 0.00045981 -0.00027530
-0.01570829 -0.00708051 0.01087185
-3.15808414 -25.93457636 9.93245301
0.00020945 0.00030429 -0.00000140
0.00483490 -0.00700786 0.02165655
-13.93525931 -2.91064464 -6.40496780
-0.00105385 0.00043119 0.00050072
-0.00779063 -0.01158795 -0.00465410
-15.01262555 -4.47832301 -8.71372359
0.00014701 -0.00012834 0.00025949
0.00186084 -0.00170491 -0.00558190
-18.81667911 -11.47295284 -16.68202128
-0.00146366 0.00086788 0.00012637
-0.02726784 -0.02303557 -0.03583499
-18.87801437 -13.88000868 -18.30167641
-0.00024063 0.00041490 -0.00023855
0.00690686 0.00005184 -0.00362414
23.25878188 3.45913208 1.33664830
0.00091735 -0.00157146 -0.00013979
0.00565050 0.00076769 -0.00201992
23.06762751 5.28071675 3.71594663
-0.00081457 -0.00035745 0.00102547
-0.00242284 -0.00703889 -0.00226560
16.27366436 -9.64461775 -13.20567899
0.00006188 -0.00099867 -0.00035108
0.03113956 -0.00372362 -0.03114871
17.47411181 -9.53419485 -16.10335330
-0.00077242 -0.00115150 0.00062531
-0.00521258 0.00011933 0.01465147
-0.57222571 2.54343193 -7.90417672
0.00030390 -0.00030958 -0.00070924
-0.00624397 -0.01229845 0.00132521
-2.57816244 0.37532775 -8.14044209
0.00119639 -0.00068694 0.00126418
0.00243576 0.01915168 0.01129552
-5.74231456 -3.09771435 -16.54623944
0.00028601 -0.00063551 -0.00017630
0.02516567 -0.00091394 0.01110804
-3.09436744 -1.94612180 -16.70547982
-0.00057798 0.00054044 0.00009095
-0.00443327 0.00309821 -0.00176991
12.81230761 18.69034383 -21.17781346
0.00027232 0.00067955 0.00075285
0.01085116 -0.01089484 0.01383039
11.86209164 16.23225265 -20.34305904
0.00046347 -0.00028389 0.00088049
-0.01175309 -0.01689291 -0.00045300
-15.33985844 15.43550552 -13.47006759
0.00074192 -0.00022017 -0.00166076
-0.00670451 0.01159040 0.01836095
-17.97708777 15.03127673 -12.61768149
0.00017352 0.00024224 0.00016470
0.02216137 0.01437504 0.02023360
2.60999370 15.20320183 6.43852731
0.00055049 0.00012750 -0.00044840
0.00703665 -0.01524849 -0.01811735
0.60546010 15.73743347 8.16134418
0.00004553 0.00115686 0.00055743
-0.01980693 -0.00162317 0.01325726
-6.43024163 -8.36656559 1.27107019
0.00087915 -0.00068415 -0.00001614
0.03619497 -0.01749192 0.01621211
-3.45153807 -9.20270381 1.64375706
-0.00001865 -0.00063701 0.00028616
0.00447794 0.00349644 -0.01012831
2.55856506 -4.44244439 2.79023075
-0.00018578 -0.00158325 -0.00032208
0.01105902 -0.05484894 0.00091244
4.48945846 -5.99483891 1.36801524
-0.00032650 -0.00046202 -0.00006052
0.01123863 -0.01310624 -0.00468657
9.26574519 5.86640239 4.29280760
-0.00018207 -0.00039199 0.00032972
0.02829357 -0.01819680 -0.00093072
12.24095973 6.04502771 4.71129405
-0.00032107 0.00052628 0.00007588
0.00431370 0.00440874 0.00236227
-7.70559283 -11.29219966 -2.00198160
-0.00012048 0.00132253 -0.00054217
0.00604519 0.01315000 -0.02070067
-9.83303946 -9.63472783 -1.29310166
0.00056438 0.00017180 -0.00008495
-0.00091539 0.01353790 -0.01409167
4.57803173 -16.73208114 -13.99385007
0.00005125 0.00065662 -0.00184444
0.02061035 -0.01716861 0.00635302
2.75130448 -16.61819745 -11.54428566
0.00042541 -0.00019684 0.00170172
0.01752161 -0.00568188 -0.02409794
5.90458143 -7.00099360 -6.15927666
-0.00072917 -0.00050698 -0.00004963
0.00272555 0.00718693 0.01306514
4.86289493 -8.77470114 -3.92270135
-0.00003815 0.00058887 0.00139436
0.00729469 0.01019870 -0.00260100
16.93502049 1.57979056 24.39291615
-0.00067793 -0.00048783 0.00034189
0.00470901 -0.01347539 0.00110325
19.48156173 2.27256989 25.34277065
0.00082424 0.00008427 -0.00093138
0.01076479 -0.00779760 -0.00302056
-9.57310747 3.01132345 2.12312955
-0.00017659 0.00036167 0.00009653
-0.01858776 0.00609984 0.01909285
-7.82484460 4.96009322 0.88754143
0.00034296 -0.00034942 -0.00054557
0.00344736 -0.01184847 0.00453320
-6.61429813 14.77326342 -9.45191373
-0.00021935 -0.00113220 -0.00016852
0.00006367 0.00026959 0.00459155
-9.45750808 13.83299974 -9.55440704
0.00067453 0.00016511 -0.00001040
0.02965777 0.00280042 -0.01774072
0.06326934 11.00046396 -8.23249989
-0.00003515 -0.00040315 -0.00055761
0.00511840 -0.00220070 0.00466816
2.39734147 12.66533501 -7.89498763
0.00009925 -0.00051863 -0.00080856
0.00580870 -0.00810118 -0.00360633
-10.38080043 8.78420776 -13.67975745
0.00017643 0.00010031 0.00028946
-0.01849328 0.01918990 -0.00578061
-12.65354453 9.79860986 -12.03024157
0.00088306 0.00006639 -0.00082916
0.00900956 0.00641230 -0.03951421
7.12770859 6.09931350 14.97962462
-0.00007518 -0.00027249 0.00120392
0.00662248 -0.03299689 0.00060195
7.37185465 4.24004476 12.87654517
-0.00078137 -0.00042813 -0.00014805
0.00485231 -0.01599928 -0.00443069
-14.12982645 10.71258226 -8.16912441
-0.00007144 -0.00013552 -0.00099557
0.01138070 0.00826993 0.00607850
-16.47581208 9.61973822 -9.53253252
0.00019255 0.00086832 -0.00047880
0.03143333 -0.00268805 -0.00173921
8.80267316 9.79734489 -2.01023621
-0.00059689 -0.00038460 -0.00043929
0.00854428 0.00393991 0.00423698
6.88326720 8.79359800 -3.64066993
-0.00058730 -0.00056461 -0.00238827
-0.02935941 -0.00024601 -0.01466619
12.07426877 -20.49855594 -26.68485892
0.00002068 0.00022121 -0.00041622
0.01391691 0.00365127 0.01330075
13.26064502 -19.67577567 -24.05564750
0.00064262 -0.00005790 -0.00043946
0.00743547 -0.00795759 -0.00140005
5.60926291 4.63745407 2.66612607
-0.00032787 0.00041164 0.00000119
0.02724740 0.03972317 0.01428123
6.34555810 6.77510938 0.92664702
-0.00045837 0.00101505 0.00021061
0.00917398 0.01199616 -0.01091794
20.55846823 -6.67125012 -5.46624438
0.00026054 0.00017770 -0.00046867
-0.02876654 0.01798328 -0.01680541
18.02631787 -5.06538629 -5.32973925
-0.00086154 -0.00042305 0.00016514
-0.01214422 0.00866915 0.01442133
-3.08277252 0.08723895 -1.34770401
0.00046368 -0.00023883 0.00034808
-0.04293600 0.01158110 0.02692248
-1.98688693 0.90749815 -4.11573120
-0.00050302 0.00063622 0.00026771
-0.01854425 -0.00377483 -0.00169882
3.49829663 -3.30239387 -12.10578263
-0.00075804 0.00035437 0.00000534
0.03416444 -0.02796512 0.00241313
0.81862065 -2.44460473 -11.46463702
0.00049745 0.00064769 -0.00011137
0.01551497 0.00291852 -0.01948751
20.35181893 8.16449781 -6.75380342
-0.00091784 -0.00004308 0.00027634
-0.00103775 0.03004441 0.03208026
22.25073379 8.68820794 -4.54391752
-0.00019882 -0.00099501 -0.00028291
-0.01897072 0.01182009 -0.00946616
-7.57693590 4.68214334 8.96670173
-0.00019467 0.00007155 -0.00032792
0.00472504 0.00478823 0.00321228
-7.29459332 6.33556287 11.27247373
-0.00004079 -0.00043853 0.00113291
-0.00781617 0.00294816 -0.01656098
-3.07373903 -16.37426619 11.91356396
0.00035078 -0.00036255 -0.00062689
0.00308952 0.00084423 -0.00433879
-4.34137176 -13.78248304 11.83777808
0.00046242 0.00096531 -0.00014019
0.02007678 -0.00687371 -0.00417215
8.13417150 0.15893098 -3.08061171
0.00045969 0.00039106 0.00052780
-0.00062284 0.01317323 -0.04128115
7.62250831 2.18959640 -5.57911107
-0.00002416 0.00070729 -0.00007188
0.00812222 -0.01833611 0.00921782
1.11561061 -10.55689686 1.88662761
0.00079728 -0.00070044 -0.00072884
-0.00337748 0.00693527 -0.00066028
0.39961815 -8.32518133 -0.04172145
-0.00085744 -0.00010673 0.00044853
0.00276515 -0.00110854 0.00837382
-19.84967290 -1.46724850 6.56036241
-0.00019452 0.00039206 -0.00017216
-0.00165967 -0.00113524 0.02713709
-20.76758272 0.09882500 4.26889913
-0.00096265 0.00072305 -0.00027730
-0.01588697 0.02897354 -0.00392405
-3.71255102 7.97037256 -24.89952759
0.00016430 0.00148868 -0.00018674
0.02805557 0.02233340 -0.03162209
-4.47236789 8.86256874 -22.21351204
0.00024781 0.00107326 -0.00083950
0.01070082 0.01657783 0.00861208
3.57877763 0.87826989 -1.01557523
0.00102015 0.00011147 0.00067757
-0.02518265 0.02003814 -0.01204660
0.92529600 2.04273401 -2.17461504
-0.00013187 -0.00034034 -0.00036379
0.00042736 -0.02499416 0.00522248
16.27910304 7.61192462 6.38561367
-0.00019629 -0.00062768 0.00065456
-0.01094989 0.00043254 -0.01054832
15.87134809 9.37264954 3.98548236
-0.00019220 -0.00029962 -0.00048706
-0.01010290 -0.05117778 0.01892548
-0.35002800 -11.81896184 -13.40508344
-0.00003248 0.00001877 0.00024672
0.00540137 -0.00337639 0.00022160
-13.93065248 14.54824672 22.10502558
-0.00001810 -0.00009620 0.00014097
0.00265288 -0.00135390 0.00151867
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02721801
0.32950330
439.04662131
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1392969173
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.2647820233 (a.u.)
total exchange computation time: 2.7355580330 s
-153.6561153663
-931.36168239
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1392969173
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.2654137146 (a.u.)
total exchange computation time: 2.7316210270 s
-153.6521035180
Anderson extrapolation: theta=1.3722670009 (1.3722670009)
-931.36194551
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1392969173
ExchangeOperator: bisection time: 1.156 s
total exchange = -52.2662237466 (a.u.)
total exchange computation time: 2.7327580452 s
-153.6469969460
Anderson extrapolation: theta=0.0607783183 (0.0607783183)
-931.36211014
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1392969173
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.2662153403 (a.u.)
total exchange computation time: 2.7357540131 s
-153.6471189520
Anderson extrapolation: theta=2.2766779200 (2.0000000000)
-931.36211882
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1392969173
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.2661639028 (a.u.)
total exchange computation time: 2.7332148552 s
-153.6475067863
Anderson extrapolation: theta=0.4093908404 (0.4093908404)
-931.36213045
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1392969173
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.2661263469 (a.u.)
total exchange computation time: 2.7313320637 s
-153.6476658060
Anderson extrapolation: theta=1.2059648953 (1.2059648953)
-931.36213394
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1392969173
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.2660836111 (a.u.)
total exchange computation time: 2.7337639332 s
-153.6477327349
Anderson extrapolation: theta=0.5120668520 (0.5120668520)
-931.36213691
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1392969173
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.2660693306 (a.u.)
total exchange computation time: 2.7327399254 s
-153.6476355543
Anderson extrapolation: theta=0.7968997712 (0.7968997712)
-931.36213795
-209.203491 50.644005 -160.576010
-134.251391 459.667129 -798.641200
-343.454882 510.311134 -959.217210
1139.507072
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1392969173
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.2660650003 (a.u.)
total exchange computation time: 2.7322108746 s
677.30759513
-1080.47043583
89.91931307
-391.31098094
-174.54156483
76.45592138
551.60419304
0.00000000
-931.36213841
-10.86162601 -4.23242663 6.73708210
-0.00022757 -0.00002713 -0.00001122
-0.02223816 0.01609936 -0.03189248
-14.16565515 3.49010017 9.45241783
0.00021856 0.00006712 -0.00020582
0.02233610 0.02380146 -0.00807542
-15.97517107 1.30463335 3.50081754
-0.00006942 0.00013671 -0.00023325
-0.02321892 -0.02947196 0.00234667
2.42453298 -19.80641470 12.80941803
0.00022407 0.00000014 0.00003650
0.02296020 0.01173637 0.05389277
9.58051493 20.41466233 0.90616283
0.00027389 -0.00013347 0.00034596
0.00242211 -0.01390683 -0.01353404
-11.85163522 12.63902648 15.07823801
-0.00056734 -0.00021661 0.00006012
0.01682963 0.02859256 0.02905382
-6.33751717 1.51956302 -12.16261306
0.00019926 -0.00008319 -0.00039037
-0.00036334 0.02833480 -0.02135302
-7.39667066 7.82060843 -5.90129429
-0.00001646 0.00002953 -0.00007457
-0.01506201 -0.02083831 0.00813714
-7.63829988 -4.43852636 17.85229912
-0.00015957 0.00031289 -0.00019778
-0.02405710 -0.01330167 0.04018595
-23.44181817 -4.89789184 -22.51913330
-0.00018272 -0.00042588 -0.00027129
-0.00312565 -0.01643909 0.01652997
6.63724432 12.78633513 6.06407755
-0.00003510 0.00001569 -0.00009543
0.01344360 -0.01441147 -0.01106961
24.67431757 30.35907987 -2.85530544
0.00009938 0.00026937 -0.00020268
-0.01241653 0.02898990 0.02865096
7.91440350 -1.28144813 -14.38893411
0.00003264 0.00018731 -0.00026669
0.00520403 0.00359486 -0.02404768
-7.17026559 -0.90237930 14.35038865
-0.00036209 -0.00017497 0.00020805
-0.03268529 -0.02466127 0.00978541
-1.95093230 -26.23580791 11.33303009
0.00019442 -0.00006227 0.00005106
0.01844572 0.02008964 -0.04431702
-14.22514658 -4.64088510 -7.07098567
0.00028562 0.00015771 0.00011501
0.00592662 0.01761023 0.00661047
-20.01344504 -12.50969086 -17.87577611
0.00013058 -0.00020310 0.00025032
0.02586454 0.02948158 0.04024311
22.66244913 3.61730992 3.06645723
0.00025036 0.00011255 -0.00017887
-0.00157935 0.00307473 0.01231710
17.79349368 -10.06784079 -14.35471761
-0.00014359 -0.00026082 -0.00006090
-0.02580430 0.00435349 0.02125874
-2.17037874 1.91779887 -7.15958602
0.00020233 -0.00019635 0.00035868
0.00484342 -0.00537448 -0.01555087
-4.10961088 -3.03133677 -15.62499405
-0.00025766 -0.00008439 0.00001907
-0.02101391 0.00133932 -0.00900017
13.38975347 17.19331494 -20.20114865
-0.00019342 0.00017131 0.00027698
0.00687892 0.02599285 -0.01228267
-16.44151561 16.06018531 -12.06496972
0.00044200 0.00008233 0.00004616
-0.01091515 -0.02927182 -0.03480946
1.50596995 14.28236032 7.55185587
0.00068571 0.00027621 -0.00011490
0.00059698 0.02537068 0.00433006
-5.19510935 -9.58654131 2.06958879
-0.00035260 0.00002071 0.00015160
-0.02943241 0.00449553 0.00208715
3.09115717 -6.33443378 2.48914246
-0.00007783 -0.00013408 0.00018658
-0.01340374 0.06503543 0.01234122
10.86027816 4.84421640 4.60037176
-0.00001485 0.00013417 -0.00039445
-0.02804802 0.01219993 0.00167124
-8.53078972 -9.72845576 -2.62384269
0.00009008 0.00003934 -0.00031298
-0.01021468 -0.01640985 0.02615376
3.14276063 -15.99188975 -13.25809960
0.00016969 -0.00003913 0.00007377
-0.04144208 0.02118212 0.02503331
4.87176963 -8.44547981 -5.71306749
0.00002534 0.00015899 0.00020414
-0.02130021 -0.02159931 0.00473051
18.56644805 0.76510411 24.81604939
0.00003657 0.00043081 -0.00023223
-0.02112431 0.01454975 0.00118331
-8.15845990 3.14423070 1.04047492
-0.00055846 -0.00001456 0.00024095
0.02187999 0.01088895 -0.01681823
-7.88356632 14.20893991 -10.61282564
0.00029699 0.00003884 0.00039851
-0.03074691 -0.00783262 0.00483353
1.68657361 11.36460140 -9.00527965
0.00008622 0.00015272 0.00030960
-0.00815518 0.00152151 -0.01008004
-11.85953698 9.96513763 -13.82160261
0.00015546 0.00027813 -0.00005188
0.01051855 -0.02778638 0.04009330
7.26126196 4.21545535 14.71209135
-0.00039049 0.00041117 -0.00005975
-0.01094958 0.05596096 -0.00375799
-14.59417465 9.40399802 -9.35244201
-0.00015479 -0.00030947 0.00050813
-0.05101574 -0.01672860 -0.01154425
8.52111649 8.36444107 -3.09779575
0.00015952 -0.00016241 0.00006821
0.00624398 -0.00444730 0.00754720
13.67541785 -20.37911181 -25.72702786
0.00013777 -0.00006364 0.00004235
-0.02214688 -0.00458610 -0.02894873
6.35570488 6.49079229 2.70939949
-0.00001806 0.00013889 -0.00024036
-0.03787654 -0.05411404 0.00156527
19.22599898 -5.76686693 -6.47565280
-0.00012716 -0.00000685 -0.00037196
0.03358649 -0.02558430 0.01279194
-1.75117155 0.09703601 -2.46846548
0.00010199 -0.00016360 -0.00034533
0.05515825 -0.00806534 -0.02987243
2.42281999 -1.92493100 -12.40168673
-0.00021151 0.00001281 0.00042252
-0.04685102 0.02710824 0.01178186
20.57892591 9.35388659 -5.23935211
-0.00055888 0.00015338 -0.00003330
0.01262077 -0.04551465 -0.03164501
-7.46901880 6.48096280 9.42413116
0.00001393 -0.00004161 -0.00011265
-0.00838462 -0.00965485 0.03110670
-2.68396862 -14.60904761 11.60500503
0.00001608 0.00000150 -0.00030950
-0.01649288 0.00525802 0.01333939
8.14696418 0.43934586 -4.97440238
-0.00004454 -0.00016968 -0.00006096
0.00073011 -0.01145220 0.04055040
-0.01770596 -10.02559235 0.51301227
-0.00008954 -0.00012464 -0.00014145
-0.00440097 -0.01571013 -0.00874538
-20.07011240 -1.46131741 4.76366827
-0.00011338 0.00016059 0.00012158
0.00806727 -0.01800110 -0.02989184
-4.69670677 7.62600438 -23.48595890
0.00005633 -0.00023733 -0.00021270
-0.03440908 -0.02945845 0.02888102
2.56643452 2.39738291 -1.42157388
0.00001428 -0.00025050 0.00043388
0.02613292 0.00598360 0.00850659
15.51107645 7.56281696 4.69216623
0.00002739 -0.00016896 -0.00008229
0.01835594 0.05372947 -0.01545395
-9.36844536 -4.87315052 7.40561497
-0.00015318 0.00067725 -0.00005193
0.03017074 -0.01634235 0.01402960
-10.55292970 -3.76957576 4.93979838
0.00048483 0.00049216 0.00017123
0.00376406 -0.01182239 0.02038688
-12.92938070 4.78166239 8.90571139
0.00036953 -0.00054396 -0.00087248
-0.01566256 -0.00716664 0.00663451
-13.40984754 2.01800443 8.66274915
-0.00028378 0.00048584 0.00013492
-0.00371693 -0.00357472 -0.00167262
-14.79040863 1.25756823 4.88714340
-0.00028639 0.00139255 0.00131157
0.00007843 0.00087518 0.00582598
-17.25418638 -0.11070544 4.02112039
0.00019791 0.00016866 0.00019389
0.02363995 0.03281792 -0.01036242
2.62929092 -21.18796670 11.66944731
0.00129054 -0.00047493 -0.00016383
0.00381292 -0.01780549 -0.01269878
3.56858657 -20.17237621 14.32614271
-0.00018833 0.00037781 0.00000004
-0.02377616 0.01152998 -0.04096119
8.64366742 18.79810315 0.83346056
-0.00068855 0.00045045 0.00115539
0.00427436 0.01373483 0.00098742
8.62013499 21.66003574 1.83578146
-0.00076557 -0.00049239 0.00051793
-0.01193957 0.00051273 0.00344220
-10.61230812 12.21033454 16.41802071
-0.00047691 -0.00091103 0.00032772
-0.00965404 -0.00089014 -0.01064319
-12.57207056 14.23263217 15.78091491
0.00021208 -0.00044011 0.00027270
0.00613031 -0.01527003 -0.01525914
-5.67374315 0.22002027 -13.20106461
0.00109036 -0.00024842 -0.00061660
0.00630271 -0.01342527 -0.00839633
-6.71923098 0.81475446 -10.55316564
-0.00057339 -0.00023530 0.00066216
-0.00609851 -0.01532838 0.02482674
-6.73134211 6.42342915 -4.85358640
-0.00009604 -0.00056675 -0.00002131
-0.00820718 0.01593614 -0.01178708
-9.21591843 7.74741417 -5.50675460
0.00036796 0.00034755 0.00030318
0.01722563 0.00102547 -0.00622843
-8.71691936 -3.39948853 19.03598116
0.00043580 0.00000853 0.00031997
0.02471435 -0.01955182 -0.02512619
-7.70637809 -6.17703654 18.60835780
-0.00011842 0.00042031 -0.00010202
-0.00246522 0.02249344 -0.00948793
-23.20172180 -3.35626883 -23.38481500
0.00010173 -0.00022201 0.00081237
0.00008026 0.02417249 -0.01917786
-23.30128369 -4.39518307 -20.76670469
0.00091838 -0.00033615 0.00000270
-0.00309806 -0.00514359 -0.00406841
6.75139182 13.26209706 4.28278376
-0.00070144 0.00008340 0.00047159
0.00090493 0.00115207 0.00628670
8.09892960 11.61444689 6.33019351
0.00053126 -0.00006932 0.00058586
-0.01335606 0.01156220 0.00503832
24.55247767 28.73651125 -2.06436456
0.00051631 -0.00037270 -0.00026756
0.00235957 -0.01078621 0.00127780
23.79600516 31.55238906 -1.61213023
0.00040874 0.00011051 -0.00022126
0.01701873 -0.01465209 -0.01877913
9.45135784 -2.36706744 -14.40077054
0.00001634 0.00051554 -0.00150406
-0.00639475 -0.00024653 0.00142860
7.58867935 -0.73252173 -12.74269960
0.00111898 -0.00083348 -0.00048992
-0.00862622 -0.00194950 0.02913847
-7.36880942 -0.25388092 16.11814014
0.00010025 0.00109755 0.00027422
0.00379799 -0.00761057 -0.02303695
-8.39042036 -2.39342161 14.21067572
-0.00050229 0.00022170 -0.00142318
0.03335032 0.03703005 0.00895129
-2.50802405 -26.72074052 12.99044828
0.00000848 0.00042936 -0.00022572
-0.01674678 -0.00782317 0.01340125
-3.15479430 -25.93022669 9.93309568
0.00022951 0.00027538 0.00008799
0.00498670 -0.00714400 0.02209906
-13.95130580 -2.90453190 -6.39759969
-0.00108504 0.00038192 0.00048066
-0.00747501 -0.01252914 -0.00516072
-15.01036335 -4.48030038 -8.71000231
0.00015405 -0.00013514 0.00023543
0.00158307 -0.00162480 -0.00619604
-18.83946964 -11.46064055 -16.68122385
-0.00157030 0.00077275 -0.00001819
-0.02493028 -0.02352932 -0.03492926
-18.88141217 -13.87378360 -18.30536571
-0.00020594 0.00040983 -0.00025363
0.01007204 -0.00253501 -0.00375951
23.27271529 3.43558369 1.33448961
0.00094037 -0.00156407 -0.00014423
0.00561540 0.00285141 -0.00015447
23.05533478 5.27513937 3.73125930
-0.00082217 -0.00038288 0.00101418
-0.00130080 -0.00541108 -0.00326099
16.27554672 -9.65971192 -13.21189969
0.00018552 -0.00101239 -0.00047494
0.02938612 -0.00299223 -0.02948164
17.46236576 -9.55146372 -16.09352463
-0.00079494 -0.00114782 0.00067426
-0.00581101 0.00168454 0.00930707
-0.56785854 2.53841134 -7.91477477
0.00027403 -0.00036066 -0.00070024
-0.00837710 -0.01270338 0.00308405
-2.56014189 0.36561047 -8.12113328
0.00120387 -0.00061243 0.00130802
0.00122214 0.01732072 0.01016711
-5.73725327 -3.10727502 -16.54854353
0.00038369 -0.00063965 -0.00013305
0.02265205 -0.00111153 0.01006326
-3.10317294 -1.93792029 -16.70416979
-0.00059668 0.00055177 0.00008498
-0.00472151 0.00244956 -0.00115448
12.81672493 18.70020328 -21.16609693
0.00031440 0.00063293 0.00080905
0.00974770 -0.01192646 0.01367955
11.86868355 16.22747663 -20.32986551
0.00041096 -0.00035345 0.00087709
-0.01395111 -0.01715700 -0.00121417
-15.32893505 15.43255817 -13.49441641
0.00070383 -0.00016816 -0.00157284
-0.01194236 0.01386571 0.02467886
-17.97380589 15.03535090 -12.61459103
0.00026512 0.00030098 0.00024689
0.02267844 0.01437813 0.02000063
2.61846668 15.20464710 6.43124610
0.00057777 0.00006582 -0.00052079
0.00631605 -0.01494514 -0.01731802
0.60553614 15.75473658 8.17011185
-0.00002421 0.00113445 0.00060372
-0.01433297 -0.00934710 0.00940332
-6.41594518 -8.37736384 1.27132484
0.00101696 -0.00074636 0.00004437
0.03126309 -0.01295985 0.01341039
-3.45168055 -9.21215178 1.64773907
-0.00000227 -0.00062342 0.00024570
0.00353703 0.00315611 -0.00967740
2.55611728 -4.46787388 2.78542749
-0.00014355 -0.00179493 -0.00031618
0.00961230 -0.04877140 0.00197620
4.48490539 -6.00217082 1.36696379
-0.00027930 -0.00051547 -0.00008054
0.01186602 -0.01305914 -0.00511209
9.26388110 5.85996491 4.29772486
-0.00006866 -0.00046408 0.00032460
0.02722233 -0.01709220 -0.00157269
12.23627591 6.05305703 4.71250462
-0.00030385 0.00054351 0.00008511
0.00411378 0.00402546 0.00215781
-7.70721479 -11.27195868 -2.01074856
-0.00008786 0.00136154 -0.00062164
0.00992388 0.00594344 -0.01819955
-9.82460184 -9.63173604 -1.29480770
0.00055831 0.00022764 -0.00014117
-0.00205412 0.01379915 -0.01342897
4.57943198 -16.72275791 -14.02132199
0.00012885 0.00058907 -0.00181309
0.01737706 -0.01589974 0.00899474
2.75822261 -16.62132420 -11.51949832
0.00050254 -0.00021539 0.00158497
0.02022976 -0.00339646 -0.03305050
5.89372738 -7.00837810 -6.15962072
-0.00071007 -0.00046717 0.00000092
0.00662344 0.01230122 0.01167607
4.86254623 -8.76555556 -3.90186561
-0.00000793 0.00063364 0.00136679
0.00749753 0.01171650 -0.01089647
16.92499582 1.57206025 24.39807830
-0.00065585 -0.00054111 0.00034721
0.00609919 -0.01260883 0.00150059
19.49425521 2.27359501 25.32870741
0.00086673 0.00005456 -0.00094383
0.01003271 -0.00674831 -0.00307682
-9.57632597 3.01693536 2.12516263
-0.00025754 0.00038720 0.00017802
-0.02103428 0.00639903 0.02079604
-7.81959450 4.95448878 0.87949672
0.00035641 -0.00039614 -0.00052621
0.00313208 -0.01101953 0.00494551
-6.61758643 14.75628864 -9.45430084
-0.00020592 -0.00112529 -0.00013834
0.00651220 0.00311482 0.01018038
-9.44648135 13.83556216 -9.55510662
0.00079048 0.00017544 -0.00007993
0.02710219 0.00225749 -0.01629431
0.06289891 10.99434930 -8.24072106
-0.00001506 -0.00041107 -0.00053639
0.00471479 -0.00167724 0.00571982
2.39900816 12.65730738 -7.90722653
0.00012709 -0.00054074 -0.00081272
0.00782071 -0.00272258 0.00156812
-10.37872066 8.78630042 -13.67559274
0.00010069 0.00017935 0.00026435
-0.01858041 0.01950217 -0.00650671
-12.64002255 9.79980216 -12.04388979
0.00091505 0.00009279 -0.00098220
0.00665169 0.00651304 -0.03539832
7.12678376 6.09421505 14.99770186
-0.00004846 -0.00040170 0.00120343
0.00645967 -0.03025115 -0.00084082
7.36028277 4.23313249 12.87418861
-0.00076152 -0.00049038 -0.00016435
0.00486722 -0.01447203 -0.00354903
-14.13054938 10.71080283 -8.18387163
-0.00002161 -0.00009281 -0.00096232
0.01301482 0.01263696 0.01019476
-16.47196057 9.63268072 -9.53976778
0.00031912 0.00085609 -0.00048539
0.03051996 -0.00330226 -0.00148885
8.79398168 9.79169655 -2.01669578
-0.00056254 -0.00036068 -0.00041689
0.00826919 0.00777371 0.00673162
6.87355797 8.78512133 -3.67694335
-0.00068204 -0.00056988 -0.00243876
-0.01701304 -0.00233246 -0.01005009
12.07500550 -20.49512597 -26.69069465
0.00008050 0.00023630 -0.00035898
0.01536306 0.00373822 0.01471929
13.27051210 -19.67688800 -24.06228231
0.00067018 -0.00008772 -0.00043841
0.00605570 -0.00664219 0.00191682
5.60517975 4.64484590 2.66658150
-0.00021674 0.00057281 0.00005784
0.02715103 0.03916923 0.01345200
6.33896372 6.79070276 0.92947165
-0.00042104 0.00106384 0.00016170
0.00909605 0.01188723 -0.01302473
20.56149488 -6.66803358 -5.47378944
0.00014218 0.00025147 -0.00053744
-0.02917249 0.01812993 -0.01685543
18.01302262 -5.07146636 -5.32682020
-0.00090326 -0.00039208 0.00021664
-0.00827569 0.00648969 0.01078554
-3.07713303 0.08401145 -1.34165786
0.00029284 -0.00019129 0.00045560
-0.04069301 0.01168925 0.02570863
-1.99500051 0.91692584 -4.11176762
-0.00057831 0.00062116 0.00025932
-0.01831055 -0.00359673 -0.00240846
3.48797299 -3.29793527 -12.10562858
-0.00061138 0.00023133 0.00001705
0.03762653 -0.03226126 0.00331885
0.82655786 -2.43479997 -11.46690475
0.00055268 0.00065707 -0.00018575
0.01151688 0.00167363 -0.01691990
20.33801955 8.16477228 -6.74867527
-0.00092282 0.00007909 0.00040575
-0.00140051 0.02975921 0.03126819
22.24717012 8.67364495 -4.54845121
-0.00028055 -0.00094311 -0.00032218
-0.02103497 0.01358902 -0.00975814
-7.57971116 4.68336329 8.96188135
-0.00017520 0.00008985 -0.00031453
0.00480503 0.00417222 0.00334252
-7.29544474 6.32907532 11.28895986
-0.00007391 -0.00042537 0.00104877
-0.00839516 0.00349361 -0.02462545
-3.06838269 -16.37967859 11.90402763
0.00036208 -0.00035457 -0.00064497
0.00244072 0.00306094 -0.00451006
-4.33382017 -13.76821408 11.83554741
0.00054392 0.00093429 -0.00015702
0.01981706 -0.00830827 -0.00406635
8.14104772 0.16520055 -3.07395967
0.00045711 0.00044440 0.00035447
-0.00063896 0.01293746 -0.04356620
7.62239484 2.19964387 -5.57990688
0.00001084 0.00062594 -0.00003352
0.00900942 -0.02148617 0.00956050
1.12746635 -10.56719094 1.87567470
0.00078047 -0.00067064 -0.00073329
-0.00485290 0.00765004 -0.00151551
0.38684126 -8.32681632 -0.03473688
-0.00084438 -0.00010668 0.00048062
0.00362614 0.00113319 0.00733172
-19.85264150 -1.46140236 6.55861159
-0.00020108 0.00038800 -0.00005829
-0.00155333 -0.00085362 0.02860389
-20.78250927 0.11055866 4.26461932
-0.00102019 0.00082625 -0.00028795
-0.01227894 0.02154189 -0.00128500
-3.70922684 7.99338711 -24.90329762
0.00027320 0.00157662 -0.00031117
0.02525390 0.02071589 -0.02928874
-4.46832285 8.87917567 -22.22584060
0.00028816 0.00113507 -0.00080808
0.00904980 0.01367514 0.00676777
3.59330827 0.88055602 -1.00578084
0.00091468 0.00019504 0.00062683
-0.02644718 0.02087080 -0.01279169
0.92333104 2.03686300 -2.17991193
-0.00012430 -0.00044251 -0.00033968
0.00327648 -0.02502042 0.00658126
16.27582322 7.60252264 6.39510885
-0.00024353 -0.00062461 0.00060428
-0.01217429 0.00107373 -0.01406546
15.86815547 9.36658695 3.97875645
-0.00023237 -0.00050741 -0.00040858
-0.00955778 -0.05053506 0.01949049
-0.35050075 -11.81868940 -13.40138199
-0.00003052 0.00001758 0.00024679
0.00554682 -0.00327013 0.00016711
-13.93091944 14.54680140 22.10714275
-0.00001752 -0.00009653 0.00014132
0.00241029 -0.00148228 0.00153521
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02776485
0.33437356
445.53600383
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1392969173
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.2674450750 (a.u.)
total exchange computation time: 2.7333419323 s
-153.6709942127
-931.36687134
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1392969173
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.2681771894 (a.u.)
total exchange computation time: 2.7324471474 s
-153.6663140021
Anderson extrapolation: theta=1.3626377108 (1.3626377108)
-931.36712550
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1392969173
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.2691565657 (a.u.)
total exchange computation time: 2.7323589325 s
-153.6601787974
Anderson extrapolation: theta=0.0587565728 (0.0587565728)
-931.36728249
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1392969173
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.2691897021 (a.u.)
total exchange computation time: 2.7335171700 s
-153.6601147461
Anderson extrapolation: theta=2.2441064470 (2.0000000000)
-931.36729046
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1392969173
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.2692411382 (a.u.)
total exchange computation time: 2.7335290909 s
-153.6600558177
Anderson extrapolation: theta=0.3852684944 (0.3852684944)
-931.36730107
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1392969173
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.2692572496 (a.u.)
total exchange computation time: 2.7316448689 s
-153.6599928834
Anderson extrapolation: theta=1.2416195473 (1.2416195473)
-931.36730415
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1392969173
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.2692846708 (a.u.)
total exchange computation time: 2.7345609665 s
-153.6597832703
Anderson extrapolation: theta=0.4734268476 (0.4734268476)
-931.36730691
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1392969173
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.2693063694 (a.u.)
total exchange computation time: 2.7324540615 s
-153.6595599808
Anderson extrapolation: theta=0.8190531134 (0.8190531134)
-931.36730787
-209.165114 50.622284 -160.591884
-134.232342 459.679260 -798.675288
-343.397456 510.301544 -959.267173
1139.527528
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0572674419
ExchangeOperator: pair fraction: ispin=0: 0.1392969173
ExchangeOperator: bisection time: 1.150 s
total exchange = -52.2693301991 (a.u.)
total exchange computation time: 2.7325630188 s
677.35985805
-1080.56229093
89.90502307
-391.25096328
-174.54960507
76.50223198
551.60419304
0.00000000
-931.36730836
-10.86512531 -4.23277149 6.73679084
-0.00023911 -0.00001880 -0.00002788
-0.02263325 0.01627913 -0.03292807
-14.16229054 3.49119882 9.44929933
0.00022946 0.00008014 -0.00020946
0.02005334 0.02680011 -0.00608396
-15.97630192 1.30657028 3.49732789
-0.00007994 0.00012168 -0.00023052
-0.01768710 -0.02896540 0.00824236
2.42798265 -19.80636730 12.81017337
0.00023565 0.00000523 0.00006289
0.02203710 0.00805144 0.04873487
9.58463261 20.41260666 0.91130004
0.00027426 -0.00014001 0.00033965
-0.00097627 -0.01154464 -0.01100569
-11.86008034 12.63588761 15.07925183
-0.00055788 -0.00020268 0.00007532
0.01992330 0.02559307 0.03008091
-6.33452963 1.51842440 -12.16855097
0.00019899 -0.00007033 -0.00039996
-0.00070500 0.02169462 -0.01593806
-7.39697563 7.82097103 -5.90238140
-0.00002339 0.00001828 -0.00007014
-0.01187883 -0.02292174 0.00908886
-7.64078624 -4.43388428 17.84948746
-0.00017165 0.00030586 -0.00017723
-0.02291349 -0.01403308 0.03972459
-23.44457099 -4.90434352 -22.52313891
-0.00018430 -0.00043443 -0.00026173
-0.00302694 -0.01680479 0.02064072
6.63676974 12.78651493 6.06260338
-0.00002771 0.00000767 -0.00009975
0.01529381 -0.01678820 -0.00571765
24.67576031 30.36323222 -2.85823518
0.00009308 0.00028296 -0.00018789
-0.01207982 0.02387366 0.02886026
7.91491322 -1.27862461 -14.39302727
0.00003527 0.00018897 -0.00028062
0.00501378 0.00286198 -0.03010514
-7.17582308 -0.90509891 14.35354711
-0.00037846 -0.00018684 0.00021296
-0.03095474 -0.02152518 0.00931737
-1.94794484 -26.23666441 11.33362510
0.00020404 -0.00005185 0.00002776
0.01898038 0.02040411 -0.04629786
-14.22083936 -4.63845147 -7.06923497
0.00028866 0.00016695 0.00011861
0.00589551 0.01831224 0.00736356
-20.01138658 -12.51262358 -17.87186616
0.00014235 -0.00018736 0.00027058
0.01991142 0.03171471 0.03857674
22.66619839 3.61901004 3.06382169
0.00024931 0.00011314 -0.00017290
-0.00248276 -0.00078764 0.01088423
17.79124027 -10.07173629 -14.35554913
-0.00015600 -0.00025917 -0.00004907
-0.02244852 0.00205777 0.02475498
-2.16732507 1.91483297 -7.15426578
0.00020561 -0.00019843 0.00035054
0.00791808 -0.00274433 -0.01609471
-4.11355691 -3.03259751 -15.62474275
-0.00026755 -0.00008343 0.00001459
-0.01742101 0.00240009 -0.00839441
13.38687866 17.19598483 -20.19704134
-0.00018912 0.00018479 0.00027093
0.00985506 0.02643026 -0.01123067
-16.43492778 16.06130742 -12.06441163
0.00043751 0.00006691 0.00002698
-0.00651200 -0.03071758 -0.03977116
1.51625798 14.28660140 7.55014905
0.00068481 0.00029096 -0.00011189
-0.00412726 0.03195837 0.00738745
-5.20051195 -9.58621328 2.07187087
-0.00036585 0.00002169 0.00015334
-0.02208851 -0.00071292 0.00466239
3.08993799 -6.33619415 2.49198879
-0.00008425 -0.00010266 0.00019260
-0.01155252 0.05715761 0.01105463
10.85994723 4.84627603 4.59446150
-0.00002873 0.00014024 -0.00039333
-0.02591415 0.01141867 0.00268984
-8.52947797 -9.72792891 -2.62843656
0.00008402 0.00003287 -0.00030047
-0.01333573 -0.00877480 0.02249860
3.14514615 -15.99239492 -13.25689648
0.00014882 -0.00002914 0.00008778
-0.03972768 0.01763019 0.02943733
4.87206754 -8.44317832 -5.70998714
0.00001342 0.00014625 0.00020887
-0.02504762 -0.02793584 0.01367172
18.56691519 0.77162246 24.81257055
0.00002561 0.00043777 -0.00023167
-0.02149675 0.01251379 0.00099332
-8.16675237 3.14405436 1.04402425
-0.00054664 -0.00000939 0.00023184
0.02407477 0.00920144 -0.01858617
-7.87923010 14.20949229 -10.60682931
0.00028034 0.00003432 0.00039910
-0.03401137 -0.00973690 -0.00255436
1.68783539 11.36689812 -9.00067451
0.00008149 0.00015191 0.00030279
-0.01022606 -0.00467875 -0.01641500
-11.85716449 9.96920233 -13.82222608
0.00016150 0.00026388 -0.00003242
0.01296252 -0.02759585 0.03557652
7.25536230 4.22183873 14.71118063
-0.00039602 0.00043850 -0.00006155
-0.01053009 0.05032146 -0.00324058
-14.59669330 9.39929145 -9.34486461
-0.00018102 -0.00031899 0.00050120
-0.05098755 -0.02028009 -0.01538458
8.52353333 8.36198782 -3.09674350
0.00015968 -0.00016512 0.00007021
-0.00560283 -0.00611399 0.00021707
13.67739895 -20.38008409 -25.72650420
0.00012646 -0.00006636 0.00002634
-0.02182532 -0.00599665 -0.03333287
6.35528782 6.49266693 2.70580008
-0.00003741 0.00011148 -0.00023897
-0.03735145 -0.05250267 0.00385276
19.22422119 -5.76706839 -6.48118282
-0.00011107 -0.00001932 -0.00036445
0.02898248 -0.02291190 0.01640281
-1.74942890 0.09455093 -2.47376061
0.00012929 -0.00016778 -0.00035973
0.05100783 -0.00818625 -0.02614756
2.41946669 -1.92463423 -12.39530352
-0.00023481 0.00002789 0.00042772
-0.04377696 0.03153471 0.00844648
20.57059143 9.35601172 -5.23997362
-0.00055176 0.00012984 -0.00004905
0.01505394 -0.04604072 -0.02960075
-7.46884226 6.48030141 9.42256141
0.00000972 -0.00004650 -0.00009490
-0.00798452 -0.00936758 0.03789761
-2.68379106 -14.60900485 11.60041397
0.00000793 0.00000395 -0.00030266
-0.01518606 0.00427651 0.01325360
8.14629887 0.43675644 -4.97516037
-0.00004438 -0.00017466 -0.00003997
-0.00009352 -0.00789105 0.04107288
-0.01906607 -10.02752255 0.51085680
-0.00009168 -0.00013345 -0.00014541
-0.00392250 -0.01854937 -0.00666400
-20.07178191 -1.45897795 4.76537665
-0.00011017 0.00015328 0.00010538
0.00440968 -0.01043090 -0.03310298
-4.69599457 7.62233085 -23.48903795
0.00004005 -0.00025096 -0.00019822
-0.02889855 -0.02356857 0.02740764
2.56674954 2.39364849 -1.41503287
0.00002714 -0.00024754 0.00043809
0.02385406 0.00551295 0.00786237
15.51155810 7.56048987 4.69087229
0.00003690 -0.00014186 -0.00008945
0.01861745 0.05164480 -0.01238902
-9.36981857 -4.86349250 7.40526588
-0.00002781 0.00061002 0.00000737
0.03120140 -0.01656983 0.01500052
-10.54554191 -3.76255570 4.94299150
0.00049917 0.00044361 0.00025395
0.00325472 -0.01194031 0.02010436
-12.92431764 4.77328342 8.89282748
0.00030670 -0.00057044 -0.00084505
-0.01509625 -0.00579844 0.00679233
-13.41421816 2.02518256 8.66472169
-0.00029546 0.00046190 0.00012435
-0.00200020 -0.00814606 -0.00349987
-14.79470205 1.27848336 4.90699551
-0.00029586 0.00139552 0.00132287
-0.00471294 0.00057809 -0.00029574
-17.25049327 -0.10716986 4.02371122
0.00029281 0.00030165 0.00015165
0.02281085 0.03228187 -0.01031420
2.64876588 -21.19563621 11.66660074
0.00130431 -0.00053926 -0.00020941
0.00292683 -0.01368507 -0.00961287
3.56503297 -20.16635580 14.32488813
-0.00028246 0.00042399 -0.00016306
-0.02229923 0.01107620 -0.03887547
8.63347014 18.80528076 0.85082173
-0.00066898 0.00050402 0.00115754
0.00530793 0.01248966 0.00006212
8.60828562 21.65266556 1.84365593
-0.00080937 -0.00049152 0.00052921
-0.00950410 -0.00008701 0.00208021
-10.61975767 12.19664184 16.42261043
-0.00051967 -0.00091306 0.00028035
-0.01127322 -0.00010452 -0.01254888
-12.56870146 14.22556263 15.78453780
0.00023434 -0.00049762 0.00021231
0.00476339 -0.01288016 -0.01429956
-5.65719454 0.21588253 -13.21057083
0.00111180 -0.00029623 -0.00064345
0.00418952 -0.00997770 -0.00474839
-6.72801871 0.81075525 -10.54247243
-0.00059329 -0.00029191 0.00074600
-0.00364441 -0.01238404 0.01621404
-6.73303426 6.41541616 -4.85426730
-0.00013087 -0.00049734 -0.00007228
-0.00884193 0.01804190 -0.01316231
-9.20987124 7.75265890 -5.50239774
0.00043323 0.00035176 0.00027853
0.01472466 0.00103587 -0.00584052
-8.70962497 -3.39995973 19.04001083
0.00053459 -0.00006881 0.00021851
0.02364343 -0.01830669 -0.02454135
-7.70822988 -6.17004263 18.60653682
-0.00012837 0.00051063 -0.00014078
-0.00240860 0.02171896 -0.00948484
-23.20019333 -3.35885820 -23.37321708
0.00010269 -0.00011993 0.00073000
0.00038938 0.02579300 -0.02114207
-23.28760294 -4.40038300 -20.76678890
0.00090465 -0.00036003 -0.00001810
-0.00362380 -0.00654484 -0.00611141
6.74089796 13.26338339 4.29005027
-0.00069572 0.00008926 0.00048923
0.00189638 0.00171512 0.00234880
8.10648921 11.61376142 6.33913582
0.00047159 -0.00001792 0.00060361
-0.01585433 0.01359691 0.00365193
24.56029456 28.73059025 -2.06833885
0.00052619 -0.00040831 -0.00026554
0.00247906 -0.00664639 -0.00028906
23.80265781 31.55359779 -1.61602465
0.00047642 0.00005183 -0.00029626
0.01610758 -0.01407328 -0.01793098
9.45140702 -2.35934183 -14.42328759
-0.00000779 0.00051274 -0.00149747
-0.00541903 -0.00112648 0.00179714
7.60519979 -0.74508369 -12.74915551
0.00108191 -0.00083785 -0.00035864
-0.00952309 -0.00018714 0.03512333
-7.36718934 -0.23765093 16.12154748
0.00011380 0.00106167 0.00017603
0.00283531 -0.00995164 -0.02502789
-8.39693270 -2.38896141 14.18960238
-0.00036775 0.00037218 -0.00138242
0.03250578 0.03663080 0.01099897
-2.50841009 -26.71453982 12.98747318
-0.00006141 0.00039632 -0.00016720
-0.01746069 -0.00834888 0.01524305
-3.15119885 -25.92631484 9.93509272
0.00024948 0.00024616 0.00017816
0.00478774 -0.00716217 0.02203883
-13.96781041 -2.89918703 -6.39054786
-0.00111476 0.00032941 0.00045880
-0.00707254 -0.01317487 -0.00554223
-15.00800414 -4.48237732 -8.70666076
0.00016010 -0.00014167 0.00020924
0.00137966 -0.00157018 -0.00662506
-18.86378806 -11.44977029 -16.68256710
-0.00166635 0.00067683 -0.00015770
-0.02208568 -0.02342256 -0.03336150
-18.88419269 -13.86771389 -18.30928542
-0.00015867 0.00039455 -0.00026924
0.01307107 -0.00494119 -0.00388078
23.28699285 3.41221005 1.33232145
0.00096306 -0.00154815 -0.00014086
0.00549476 0.00493869 0.00180300
23.04296234 5.26923036 3.74637212
-0.00082517 -0.00040146 0.00099915
-0.00016814 -0.00368231 -0.00409937
16.27923005 -9.67498948 -13.21992721
0.00030046 -0.00102285 -0.00059068
0.02687482 -0.00212626 -0.02717313
17.45026357 -9.56862935 -16.08312557
-0.00082003 -0.00113758 0.00070042
-0.00647002 0.00332582 0.00350009
-0.56400478 2.53261220 -7.92518381
0.00023612 -0.00041300 -0.00068426
-0.01017897 -0.01291824 0.00473508
-2.54204644 0.35695471 -8.10120137
0.00120622 -0.00054639 0.00134676
-0.00006990 0.01500893 0.00879478
-5.73080373 -3.11690382 -16.55023088
0.00046967 -0.00064476 -0.00009491
0.01943441 -0.00139116 0.00860725
-3.11226781 -1.92956866 -16.70293052
-0.00061650 0.00056036 0.00008158
-0.00498242 0.00175494 -0.00051051
12.82173966 18.70933180 -21.15354202
0.00035159 0.00058295 0.00086403
0.00845727 -0.01254137 0.01323499
11.87442046 16.22164912 -20.31674638
0.00035087 -0.00042316 0.00087069
-0.01546406 -0.01696562 -0.00191835
-15.31874357 15.43046059 -13.51725276
0.00064611 -0.00010781 -0.00146110
-0.01631283 0.01567654 0.03001658
-17.96913413 15.04030625 -12.61027481
0.00035758 0.00035888 0.00032761
0.02258113 0.01396079 0.01951100
2.62732675 15.20517644 6.42290352
0.00060169 0.00000538 -0.00058950
0.00539573 -0.01464145 -0.01631366
0.60473376 15.77146684 8.17945581
-0.00007202 0.00108164 0.00063442
-0.00907084 -0.01650047 0.00562555
-6.39973274 -8.38895635 1.27240135
0.00113283 -0.00078834 0.00009214
0.02545628 -0.00758914 0.00997006
-3.45160627 -9.22140633 1.65112798
0.00000933 -0.00061142 0.00020731
0.00214109 0.00271725 -0.00911402
2.55425861 -4.49629238 2.78074534
-0.00010831 -0.00197824 -0.00030553
0.00763653 -0.04095887 0.00323743
4.48107955 -6.01030307 1.36559905
-0.00023016 -0.00056877 -0.00010180
0.01218879 -0.01303207 -0.00529266
9.26368537 5.85247991 4.30254574
0.00003900 -0.00053081 0.00031673
0.02547613 -0.01557367 -0.00228146
12.23184421 6.06133306 4.71384743
-0.00028780 0.00055881 0.00009347
0.00374258 0.00346224 0.00193310
-7.70822854 -11.25135345 -2.02063089
-0.00003879 0.00136981 -0.00069018
0.01409366 -0.00189449 -0.01535102
-9.81629010 -9.62789856 -1.29733676
0.00054736 0.00028440 -0.00019415
-0.00330876 0.01398457 -0.01250676
4.58189721 -16.71440911 -14.04824265
0.00019167 0.00052758 -0.00177009
0.01337533 -0.01419895 0.01205276
2.76638055 -16.62465911 -11.49673651
0.00058958 -0.00022551 0.00143465
0.02237883 -0.00155607 -0.04053196
5.88327926 -7.01500870 -6.15924919
-0.00067528 -0.00040667 0.00004561
0.01040717 0.01731323 0.01020163
4.86265703 -8.75569192 -3.88169767
0.00002302 0.00068401 0.00130702
0.00765448 0.01293736 -0.01835996
16.91534495 1.56355719 24.40333241
-0.00062853 -0.00059047 0.00035404
0.00727321 -0.01154981 0.00184576
19.50756356 2.27420656 25.31445561
0.00090611 0.00002917 -0.00095651
0.00924499 -0.00567933 -0.00312980
-9.58083359 3.02293945 2.12847023
-0.00034667 0.00041414 0.00026509
-0.02259491 0.00679068 0.02182419
-7.81415245 4.94820900 0.87175510
0.00036869 -0.00043887 -0.00050527
0.00288343 -0.00989734 0.00530322
-6.62047562 14.73950475 -9.45606404
-0.00016615 -0.00110706 -0.00008545
0.01295327 0.00580971 0.01570958
-9.43379364 13.83826294 -9.55680481
0.00089448 0.00018324 -0.00014262
0.02380812 0.00156268 -0.01439721
0.06281742 10.98813186 -8.24859169
0.00000340 -0.00041680 -0.00051095
0.00432387 -0.00112943 0.00673573
2.40115416 12.64911290 -7.91936932
0.00016356 -0.00054024 -0.00079532
0.01003211 0.00296434 0.00695203
-10.37777962 8.78958829 -13.67182680
0.00002576 0.00025874 0.00023642
-0.01810200 0.01936130 -0.00716910
-12.62609292 9.80139362 -12.05970744
0.00093656 0.00011936 -0.00111622
0.00387781 0.00649425 -0.03020799
7.12625482 6.08726263 15.01572758
-0.00002255 -0.00051781 0.00119736
0.00622388 -0.02658945 -0.00212997
7.34900918 4.22533328 12.87161455
-0.00074161 -0.00054618 -0.00017670
0.00487483 -0.01284301 -0.00249208
-14.13047468 10.70979787 -8.19799406
0.00003469 -0.00003304 -0.00091326
0.01454535 0.01662280 0.01381994
-16.46623861 9.64542084 -9.54709429
0.00044035 0.00084153 -0.00049115
0.02882301 -0.00382372 -0.00132806
8.78579698 9.78652464 -2.02274280
-0.00052958 -0.00032141 -0.00038472
0.00786535 0.01144634 0.00901632
6.86280608 8.77650170 -3.71383271
-0.00072648 -0.00058328 -0.00246942
-0.00474305 -0.00422934 -0.00495874
12.07668377 -20.49146690 -26.69562829
0.00014505 0.00025164 -0.00029667
0.01623592 0.00377061 0.01578137
13.28075030 -19.67840739 -24.06879965
0.00069211 -0.00011204 -0.00042361
0.00467942 -0.00525962 0.00532765
5.60276057 4.65463827 2.66786135
-0.00010685 0.00073012 0.00011085
0.02664110 0.03783705 0.01249580
6.33292680 6.80702466 0.93149804
-0.00038413 0.00111192 0.00010543
0.00897161 0.01164471 -0.01451866
20.56273366 -6.66370592 -5.48236752
0.00002380 0.00032478 -0.00060529
-0.02877542 0.01775190 -0.01635741
17.99922019 -5.07714870 -5.32324015
-0.00092861 -0.00037017 0.00025268
-0.00413362 0.00423665 0.00685639
-3.07398747 0.08150034 -1.33403612
0.00013483 -0.00014334 0.00055512
-0.03665330 0.01178002 0.02300768
-2.00423628 0.92613310 -4.10795165
-0.00065244 0.00060681 0.00024819
-0.01797731 -0.00343177 -0.00303693
3.47995533 -3.29545384 -12.10527112
-0.00045312 0.00009386 0.00003171
0.03983886 -0.03503475 0.00385743
0.83520091 -2.42489264 -11.47020943
0.00059012 0.00066094 -0.00024874
0.00681201 0.00022251 -0.01391667
20.32413435 8.16687056 -6.74163081
-0.00092956 0.00019873 0.00053019
-0.00189787 0.02880574 0.02964341
22.24231730 8.65991477 -4.55358293
-0.00036963 -0.00088435 -0.00036218
-0.02257041 0.01517230 -0.00982276
-7.58219193 4.68483894 8.95726583
-0.00015543 0.00010535 -0.00030071
0.00487165 0.00341349 0.00342084
-7.29681067 6.32280188 11.30393680
-0.00010907 -0.00041005 0.00093420
-0.00881438 0.00400396 -0.03145600
-3.06287677 -16.38490340 11.89421490
0.00037068 -0.00033779 -0.00066366
0.00177184 0.00515322 -0.00464078
-4.32505407 -13.75445430 11.83306752
0.00062320 0.00089799 -0.00017327
0.01899132 -0.00946220 -0.00389069
8.14788478 0.17226301 -3.06997763
0.00045441 0.00049637 0.00017411
-0.00068066 0.01250025 -0.04471969
7.62283352 2.20837454 -5.58011676
0.00004909 0.00053267 0.00000587
0.00971414 -0.02417148 0.00972120
1.13902467 -10.57701618 1.86462892
0.00075767 -0.00063799 -0.00074108
-0.00630595 0.00833569 -0.00229897
0.37428660 -8.32838185 -0.02730299
-0.00082793 -0.00009749 0.00050848
0.00442944 0.00336702 0.00630585
-19.85570531 -1.45560853 6.55861380
-0.00020747 0.00038511 0.00005948
-0.00157347 -0.00056291 0.02904375
-20.79818835 0.12361253 4.26026076
-0.00106244 0.00089841 -0.00028753
-0.00840618 0.01378018 0.00149000
-3.70435495 8.01767126 -24.90886265
0.00036859 0.00165668 -0.00042314
0.02143703 0.01847080 -0.02552329
-4.46372319 8.89662070 -22.23775438
0.00032167 0.00118270 -0.00078550
0.00735750 0.00964019 0.00428581
3.60621806 0.88412123 -0.99677041
0.00080527 0.00028055 0.00057357
-0.02710824 0.02098627 -0.01327992
0.92156688 2.02945858 -2.18480547
-0.00010525 -0.00054450 -0.00031001
0.00605033 -0.02490328 0.00794411
16.27179727 7.59318647 6.40374202
-0.00029529 -0.00061897 0.00054063
-0.01316277 0.00168348 -0.01708874
15.86437709 9.35742726 3.97322503
-0.00027011 -0.00071106 -0.00032863
-0.00892000 -0.04915177 0.01964678
-0.35094373 -11.81843452 -13.39767965
-0.00002851 0.00001643 0.00024684
0.00570392 -0.00315812 0.00011860
-13.93117800 14.54535091 22.10926526
-0.00001699 -0.00009688 0.00014168
0.00217277 -0.00159593 0.00156124
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02776535
0.33954301
452.42403403
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571220930
ExchangeOperator: pair fraction: ispin=0: 0.1389075176
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.2735325431 (a.u.)
total exchange computation time: 2.7358601093 s
-153.6944101859
-931.37146476
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571220930
ExchangeOperator: pair fraction: ispin=0: 0.1389075176
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.2742722398 (a.u.)
total exchange computation time: 2.7354359627 s
-153.6896703914
Anderson extrapolation: theta=1.3597058131 (1.3597058131)
-931.37171349
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571220930
ExchangeOperator: pair fraction: ispin=0: 0.1389075176
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.2752570207 (a.u.)
total exchange computation time: 2.7354280949 s
-153.6835155477
Anderson extrapolation: theta=0.0556801031 (0.0556801031)
-931.37186459
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571220930
ExchangeOperator: pair fraction: ispin=0: 0.1389075176
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.2752859324 (a.u.)
total exchange computation time: 2.7364101410 s
-153.6834998539
Anderson extrapolation: theta=2.0532539856 (2.0000000000)
-931.37187098
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571220930
ExchangeOperator: pair fraction: ispin=0: 0.1389075176
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.2753283772 (a.u.)
total exchange computation time: 2.7370831966 s
-153.6835464963
Anderson extrapolation: theta=0.2555765407 (0.2555765407)
-931.37187826
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571220930
ExchangeOperator: pair fraction: ispin=0: 0.1389075176
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.2753342764 (a.u.)
total exchange computation time: 2.7370820045 s
-153.6835419370
Anderson extrapolation: theta=1.6802886001 (1.6802886001)
-931.37187975
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571220930
ExchangeOperator: pair fraction: ispin=0: 0.1389075176
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.2753527924 (a.u.)
total exchange computation time: 2.7357270718 s
-153.6834047603
Anderson extrapolation: theta=0.3238857317 (0.3238857317)
-931.37188137
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571220930
ExchangeOperator: pair fraction: ispin=0: 0.1389075176
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.2753675231 (a.u.)
total exchange computation time: 2.7361638546 s
-153.6832429823
Anderson extrapolation: theta=1.1975475801 (1.1975475801)
-931.37188176
-209.118656 50.596853 -160.610255
-134.209122 459.691058 -798.711586
-343.327779 510.287912 -959.321841
1139.546450
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571220930
ExchangeOperator: pair fraction: ispin=0: 0.1389075176
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.2753904134 (a.u.)
total exchange computation time: 2.7364799976 s
677.46310590
-1080.75839415
89.88563497
-391.12064940
-174.56618889
76.60490118
551.60419304
0.00000000
-931.37188199
-10.86879923 -4.23299077 6.73624556
-0.00025047 -0.00001061 -0.00004474
-0.02154339 0.01559652 -0.03260243
-14.15877122 3.49250422 9.44613389
0.00023910 0.00009457 -0.00021205
0.01741723 0.02934578 -0.00395037
-15.97756923 1.30828375 3.49390184
-0.00008755 0.00010711 -0.00022485
-0.01192739 -0.02771026 0.01380326
2.43160233 -19.80625778 12.81130469
0.00024659 0.00000836 0.00008627
0.02053755 0.00413582 0.04217882
9.58874275 20.41046192 0.91635235
0.00027287 -0.00014524 0.00033468
-0.00441714 -0.00877228 -0.00832728
-11.86837176 12.63294619 15.08049771
-0.00054691 -0.00019041 0.00009088
0.02276760 0.02211926 0.03042294
-6.33154753 1.51745315 -12.17461184
0.00019856 -0.00006094 -0.00040678
-0.00097023 0.01483038 -0.01059313
-7.39737225 7.82115679 -5.90339840
-0.00002861 0.00000610 -0.00006535
-0.00843163 -0.02442863 0.00951653
-7.64344937 -4.42935045 17.84698227
-0.00018298 0.00029848 -0.00015717
-0.02114521 -0.01468499 0.03827410
-23.44734715 -4.91092484 -22.52698528
-0.00018578 -0.00044290 -0.00025033
-0.00272098 -0.01612096 0.02371199
6.63641315 12.78656521 6.06108511
-0.00001948 -0.00000148 -0.00010128
0.01671232 -0.01879693 -0.00023538
24.67710986 30.36756875 -2.86094227
0.00008706 0.00029376 -0.00017309
-0.01131041 0.01812279 0.02872067
7.91546163 -1.27577901 -14.39735268
0.00003769 0.00019041 -0.00029728
0.00437797 0.00272846 -0.03469657
-7.18161938 -0.90798458 14.35677745
-0.00039372 -0.00019694 0.00021752
-0.02838790 -0.01772143 0.00841162
-1.94481096 -26.23736350 11.33386293
0.00021394 -0.00004139 0.00000381
0.01949163 0.02029220 -0.04684988
-14.21648666 -4.63587657 -7.06742745
0.00029164 0.00017646 0.00012250
0.00567822 0.01867108 0.00778255
-20.00917451 -12.51531163 -17.86765859
0.00015099 -0.00017074 0.00028979
0.01366331 0.03289892 0.03610582
22.66992849 3.62070408 3.06127011
0.00024782 0.00011173 -0.00016773
-0.00330996 -0.00468036 0.00923334
17.78881367 -10.07561593 -14.35618968
-0.00016646 -0.00025875 -0.00003557
-0.01822202 -0.00040591 0.02772598
-2.16421032 1.91184589 -7.14906970
0.00021039 -0.00019911 0.00034222
0.01064855 0.00013033 -0.01627785
-4.11763734 -3.03383972 -15.62455620
-0.00027542 -0.00008190 0.00001053
-0.01320200 0.00357306 -0.00740094
13.38407989 17.19885862 -20.19302068
-0.00018345 0.00019825 0.00026549
0.01220814 0.02592105 -0.00994816
-16.42839018 16.06219256 -12.06416035
0.00043524 0.00005097 0.00000557
-0.00234041 -0.03124650 -0.04347563
1.52651416 14.29108902 7.54849922
0.00068161 0.00030887 -0.00010740
-0.00831365 0.03770152 0.01007387
-5.20608496 -9.58589075 2.07418893
-0.00037503 0.00001984 0.00015662
-0.01360964 -0.00648305 0.00808622
3.08862969 -6.33751357 2.49492040
-0.00008948 -0.00007579 0.00019782
-0.00876858 0.04731535 0.00926393
10.85941639 4.84842375 4.58857199
-0.00004127 0.00014585 -0.00039166
-0.02288304 0.01038288 0.00379199
-8.52826910 -9.72746976 -2.63285685
0.00007634 0.00003043 -0.00028997
-0.01652305 -0.00070353 0.01832095
3.14722518 -15.99276408 -13.25546627
0.00012911 -0.00002096 0.00010359
-0.03690805 0.01417868 0.03204432
4.87217222 -8.44109233 -5.70680132
-0.00000032 0.00013044 0.00021794
-0.02838578 -0.03353378 0.02158859
18.56721649 0.77823734 24.80909938
0.00001454 0.00044364 -0.00023119
-0.02154908 0.01030740 0.00085821
-8.17485910 3.14394901 1.04743020
-0.00053398 -0.00000519 0.00022204
0.02516543 0.00713276 -0.01954978
-7.87515626 14.20996955 -10.60085269
0.00026229 0.00002895 0.00039585
-0.03614232 -0.01115463 -0.01006105
1.68901827 11.36915875 -8.99619601
0.00007566 0.00014787 0.00029275
-0.01244438 -0.01103291 -0.02261545
-11.85469200 9.97305414 -13.82257510
0.00016876 0.00024990 -0.00001559
0.01526934 -0.02678675 0.02984029
7.24938140 4.22861032 14.71024491
-0.00040129 0.00046265 -0.00006316
-0.00998616 0.04358825 -0.00302845
-14.59960531 9.39442841 -9.33740589
-0.00020696 -0.00033019 0.00049251
-0.04989385 -0.02330404 -0.01841906
8.52590694 8.35948740 -3.09568957
0.00015396 -0.00016868 0.00006846
-0.01663060 -0.00773246 -0.00699485
13.67921169 -20.38110263 -25.72623770
0.00011547 -0.00006979 0.00000819
-0.02091123 -0.00734372 -0.03724360
6.35458261 6.49413654 2.70223038
-0.00005635 0.00008516 -0.00023657
-0.03631538 -0.04981780 0.00549552
19.22266699 -5.76744662 -6.48658631
-0.00009759 -0.00003028 -0.00035521
0.02343933 -0.01971533 0.01953374
-1.74729275 0.09200270 -2.47925746
0.00015405 -0.00017200 -0.00037191
0.04528079 -0.00822524 -0.02122329
2.41577567 -1.92409417 -12.38885515
-0.00025597 0.00004485 0.00043120
-0.03850078 0.03438683 0.00508738
20.56237309 9.35778167 -5.24082350
-0.00054362 0.00010622 -0.00006362
0.01660383 -0.04577717 -0.02708618
-7.46872732 6.47956774 9.42128402
0.00000569 -0.00005120 -0.00007400
-0.00768722 -0.00890837 0.04338147
-2.68373065 -14.60892910 11.59592516
0.00000061 0.00000587 -0.00029591
-0.01328814 0.00317979 0.01300111
8.14563285 0.43410614 -4.97560150
-0.00004460 -0.00017787 -0.00001897
-0.00076622 -0.00458592 0.04059233
-0.02045644 -10.02959586 0.50864992
-0.00009358 -0.00014368 -0.00014836
-0.00343563 -0.02121253 -0.00479221
-20.07341739 -1.45671896 4.76682966
-0.00010883 0.00014984 0.00008782
0.00076943 -0.00293697 -0.03517680
-4.69550531 7.61847549 -23.49190556
0.00002683 -0.00026132 -0.00018476
-0.02251940 -0.01670285 0.02496106
2.56724859 2.38995661 -1.40843121
0.00003869 -0.00024469 0.00044192
0.02109644 0.00559447 0.00702504
15.51218338 7.55856120 4.68948276
0.00004641 -0.00011614 -0.00009504
0.01838697 0.04838497 -0.00935085
-9.36927957 -4.85484998 7.40583612
0.00009863 0.00054317 0.00006928
0.03069101 -0.01615274 0.01530622
-10.53795466 -3.75626743 4.94741674
0.00051158 0.00039493 0.00033427
0.00282260 -0.01188727 0.01921363
-12.92017977 4.76454909 8.88035985
0.00024694 -0.00059065 -0.00081731
-0.01415792 -0.00409174 0.00678616
-13.41871136 2.03186144 8.66647973
-0.00030023 0.00041937 0.00010639
-0.00033570 -0.01267053 -0.00529187
-14.79928430 1.29943392 4.92682949
-0.00032425 0.00139694 0.00130945
-0.00918493 0.00011725 -0.00627112
-17.24540216 -0.10165585 4.02566994
0.00038333 0.00043132 0.00011000
0.02150202 0.03118945 -0.01007682
2.66842022 -21.20414443 11.66316504
0.00131409 -0.00058595 -0.00024176
0.00186102 -0.00917355 -0.00622428
3.56011274 -20.15965657 14.32125102
-0.00036912 0.00046790 -0.00031559
-0.02012253 0.01041873 -0.03579190
8.62359816 18.81322381 0.86818670
-0.00064549 0.00055194 0.00115588
0.00618861 0.01096741 -0.00087331
8.59585378 21.64529004 1.85165789
-0.00084289 -0.00049326 0.00053469
-0.00690023 -0.00076251 0.00060107
-10.62789812 12.18294273 16.42643107
-0.00056833 -0.00091208 0.00022596
-0.01254979 0.00058501 -0.01407108
-12.56504043 14.21770371 15.78728432
0.00025064 -0.00054434 0.00015640
0.00321837 -0.00998994 -0.01307050
-5.64038918 0.21113330 -13.22036807
0.00112428 -0.00032959 -0.00065519
0.00191980 -0.00634983 -0.00099684
-6.73702979 0.80599707 -10.53078552
-0.00060300 -0.00033650 0.00079468
-0.00110740 -0.00944169 0.00761299
-6.73526830 6.40850889 -4.85575487
-0.00016771 -0.00042042 -0.00012802
-0.00918947 0.01961357 -0.01412011
-9.20292162 7.75796711 -5.49839883
0.00048724 0.00035604 0.00025572
0.01171306 0.00105557 -0.00532487
-8.70088157 -3.40155288 19.04253645
0.00062786 -0.00013989 0.00012080
0.02201290 -0.01648605 -0.02328819
-7.71022928 -6.16171764 18.60413455
-0.00013813 0.00059649 -0.00017902
-0.00236726 0.02031055 -0.00923422
-23.19864099 -3.35986682 -23.36291488
0.00010453 -0.00001358 0.00064112
0.00050774 0.02626756 -0.02236924
-23.27414428 -4.40598404 -20.76724765
0.00088876 -0.00038935 -0.00004669
-0.00415202 -0.00780660 -0.00788572
6.73052032 13.26477484 4.29746073
-0.00068598 0.00009751 0.00049047
0.00286874 0.00232442 -0.00174225
8.11307716 11.61390924 6.34830194
0.00040260 0.00004105 0.00061573
-0.01791214 0.01527012 0.00228051
24.56826339 28.72426192 -2.07233085
0.00053656 -0.00042670 -0.00026996
0.00259474 -0.00235411 -0.00187519
23.81029763 31.55394403 -1.62101799
0.00053984 -0.00000371 -0.00036680
0.01493722 -0.01311487 -0.01659899
9.45112409 -2.35168525 -14.44569450
-0.00002787 0.00050636 -0.00148943
-0.00441148 -0.00199880 0.00213453
7.62113660 -0.75765713 -12.75345885
0.00104191 -0.00083612 -0.00020574
-0.01005541 0.00103477 0.03972417
-7.36539550 -0.22203084 16.12342096
0.00012333 0.00101680 0.00007096
0.00182915 -0.01201007 -0.02640253
-8.40145289 -2.38225625 14.16920312
-0.00023817 0.00051918 -0.00133373
0.03092447 0.03532887 0.01283306
-2.50986624 -26.70885078 12.98543227
-0.00013346 0.00036162 -0.00010276
-0.01781150 -0.00863957 0.01629989
-3.14730998 -25.92284194 9.93844043
0.00026792 0.00021711 0.00026705
0.00423982 -0.00705680 0.02147398
-13.98474847 -2.89464960 -6.38383568
-0.00114268 0.00027489 0.00043564
-0.00659652 -0.01351511 -0.00579294
-15.00556037 -4.48455049 -8.70372523
0.00016549 -0.00014803 0.00018169
0.00126055 -0.00154097 -0.00685906
-18.88946002 -11.44033551 -16.68595494
-0.00174973 0.00058270 -0.00028941
-0.01873006 -0.02265892 -0.03111144
-18.88617214 -13.86194700 -18.31344296
-0.00009969 0.00037009 -0.00028524
0.01579640 -0.00703151 -0.00394958
23.30160716 3.38913909 1.33026380
0.00098513 -0.00152373 -0.00012946
0.00530730 0.00701733 0.00377629
23.03057958 5.26309567 3.76123371
-0.00082358 -0.00041288 0.00098098
0.00094883 -0.00190929 -0.00479491
16.28456044 -9.69039734 -13.22962007
0.00040350 -0.00102951 -0.00069561
0.02356726 -0.00113358 -0.02419093
17.43776486 -9.58559115 -16.07251200
-0.00084788 -0.00112075 0.00070245
-0.00716262 0.00491487 -0.00250845
-0.56077484 2.52602135 -7.93530265
0.00019160 -0.00046581 -0.00066183
-0.01161761 -0.01293215 0.00624738
-2.52395527 0.34921879 -8.08073046
0.00120318 -0.00049066 0.00137949
-0.00141717 0.01227092 0.00722690
-5.72316312 -3.12661787 -16.55139072
0.00054121 -0.00065118 -0.00006349
0.01558349 -0.00175009 0.00677137
-3.12166803 -1.92110948 -16.70172254
-0.00063730 0.00056608 0.00008082
-0.00519607 0.00104681 0.00013936
12.82727270 18.71769171 -21.14017600
0.00038314 0.00053136 0.00091660
0.00698452 -0.01271167 0.01249889
11.87920964 16.21478185 -20.30374482
0.00028609 -0.00049106 0.00086153
-0.01624524 -0.01627306 -0.00256703
-15.30955184 15.42932377 -13.53824951
0.00057222 -0.00004095 -0.00132952
-0.01985476 0.01705359 0.03439582
-17.96307846 15.04611721 -12.60476284
0.00044838 0.00041422 0.00040583
0.02186549 0.01312947 0.01878195
2.63651751 15.20480846 6.41356115
0.00062153 -0.00005382 -0.00065375
0.00431289 -0.01433720 -0.01513681
0.60337547 15.78718585 8.18914454
-0.00009906 0.00100120 0.00065007
-0.00416286 -0.02287516 0.00203198
-6.38196018 -8.40101397 1.27408890
0.00122305 -0.00080648 0.00012439
0.01870404 -0.00129240 0.00582085
-3.45140077 -9.23049436 1.65395833
0.00001485 -0.00060134 0.00017140
0.00056351 0.00221512 -0.00846224
2.55286794 -4.52722109 2.77626160
-0.00008235 -0.00212577 -0.00028928
0.00506977 -0.03125613 0.00471625
4.47800070 -6.01923400 1.36390993
-0.00018034 -0.00062199 -0.00012326
0.01219417 -0.01301969 -0.00521577
9.26505098 5.84404046 4.30722679
0.00013813 -0.00059052 0.00030584
0.02305256 -0.01365413 -0.00305099
12.22764187 6.06982128 4.71530871
-0.00027358 0.00057148 0.00010086
0.00321979 0.00274006 0.00168435
-7.70837855 -11.23086432 -2.03145403
0.00002780 0.00134516 -0.00074648
0.01850137 -0.01017296 -0.01220895
-9.80818116 -9.62320401 -1.30063231
0.00053114 0.00034172 -0.00024294
-0.00462956 0.01407115 -0.01137531
4.58518215 -16.70693051 -14.07442464
0.00023711 0.00047363 -0.00171398
0.00886621 -0.01220915 0.01541036
2.77591001 -16.62808939 -11.47645875
0.00068433 -0.00022894 0.00125669
0.02400024 -0.00012522 -0.04657980
5.87346895 -7.02057825 -6.15825245
-0.00062563 -0.00032641 0.00008427
0.01389874 0.02197710 0.00872502
4.86323694 -8.74503540 -3.86265495
0.00005450 0.00073870 0.00121879
0.00775404 0.01383581 -0.02482914
16.90613983 1.55434629 24.40869965
-0.00059689 -0.00063512 0.00036217
0.00821475 -0.01030708 0.00213241
19.52143851 2.27447004 25.30001199
0.00094216 0.00000815 -0.00096942
0.00840228 -0.00461101 -0.00318659
-9.58672595 3.02935970 2.13311534
-0.00044019 0.00044289 0.00035484
-0.02318372 0.00728005 0.02210869
-7.80853368 4.94132264 0.86433849
0.00038012 -0.00047644 -0.00048299
0.00270936 -0.00849167 0.00560407
-6.62257096 14.72307692 -9.45686445
-0.00010075 -0.00107840 -0.00001068
0.01906144 0.00821796 0.02089434
-9.41964682 13.84105949 -9.55938535
0.00098351 0.00018789 -0.00019663
0.01977206 0.00070947 -0.01203805
0.06300094 10.98184519 -8.25604951
0.00002065 -0.00041989 -0.00048180
0.00411982 -0.00038076 0.00753282
2.40391498 12.64110010 -7.93108604
0.00020926 -0.00051633 -0.00075588
0.01234045 0.00874199 0.01235339
-10.37794798 8.79406274 -13.66850023
-0.00004610 0.00033666 0.00020591
-0.01707212 0.01877747 -0.00776209
-12.61192563 9.80338309 -12.07737642
0.00094586 0.00014559 -0.00122677
0.00067051 0.00634385 -0.02390623
7.12610731 6.07868064 15.03362276
0.00000227 -0.00061714 0.00118640
0.00592597 -0.02203103 -0.00323549
7.33803436 4.21674698 12.86888775
-0.00072169 -0.00059513 -0.00018441
0.00488000 -0.01111656 -0.00128669
-14.12950855 10.70981166 -8.21126951
0.00009689 0.00004175 -0.00085076
0.01589775 0.01998787 0.01677492
-16.45875020 9.65792661 -9.55450219
0.00055309 0.00082508 -0.00049646
0.02636629 -0.00422918 -0.00127444
8.77809433 9.78205422 -2.02823724
-0.00049854 -0.00026783 -0.00034388
0.00732960 0.01478397 0.01097200
6.85176351 8.76762288 -3.75102597
-0.00072219 -0.00060380 -0.00247884
0.00684583 -0.00581666 0.00034770
12.07935708 -20.48757674 -26.69959474
0.00021199 0.00026702 -0.00023078
0.01652934 0.00375753 0.01647256
13.29127529 -19.68024913 -24.07499048
0.00070851 -0.00013067 -0.00039492
0.00334891 -0.00386313 0.00871433
5.60197412 4.66674953 2.66990702
0.00000008 0.00088034 0.00015971
0.02570455 0.03569813 0.01142287
6.32743972 6.82406022 0.93263464
-0.00034781 0.00115868 0.00004446
0.00880686 0.01124485 -0.01532689
20.56220890 -6.65829032 -5.49194807
-0.00009134 0.00039549 -0.00067001
-0.02758762 0.01686304 -0.01532469
17.98516442 -5.08257138 -5.31923989
-0.00093688 -0.00035738 0.00027245
0.00008563 0.00202317 0.00282051
-3.07308824 0.07971119 -1.32500433
-0.00000373 -0.00009507 0.00064108
-0.03117095 0.01184991 0.01907029
-2.01457381 0.93513004 -4.10432180
-0.00072501 0.00059306 0.00023473
-0.01754276 -0.00329784 -0.00355240
3.47437925 -3.29511956 -12.10467726
-0.00028871 -0.00005139 0.00004777
0.04064248 -0.03606413 0.00400335
0.84426143 -2.41497167 -11.47436701
0.00060695 0.00065847 -0.00029863
0.00142665 -0.00143505 -0.01050393
20.31013283 8.17073425 -6.73276961
-0.00093906 0.00031348 0.00064634
-0.00275143 0.02736409 0.02721426
22.23608122 8.64711445 -4.55931666
-0.00046439 -0.00081941 -0.00040273
-0.02381341 0.01661678 -0.01002456
-7.58437414 4.68652379 8.95285995
-0.00013542 0.00011753 -0.00028668
0.00492484 0.00254675 0.00344964
-7.29871679 6.31677382 11.31698591
-0.00014562 -0.00039274 0.00079430
-0.00907950 0.00446965 -0.03702905
-3.05726226 -16.38981240 11.88411775
0.00037651 -0.00031283 -0.00068279
0.00108034 0.00706533 -0.00472162
-4.31512407 -13.74127442 11.83034919
0.00069800 0.00085758 -0.00018866
0.01762218 -0.01032015 -0.00363913
8.15468013 0.18009155 -3.06873629
0.00045152 0.00054620 -0.00000872
-0.00073550 0.01189193 -0.04477571
7.62386755 2.21562382 -5.57973087
0.00008986 0.00042937 0.00004557
0.01024273 -0.02639377 0.00971515
1.15019653 -10.58633055 1.85344224
0.00072906 -0.00060265 -0.00075188
-0.00769782 0.00896167 -0.00298511
0.36200341 -8.32974103 -0.01948263
-0.00080835 -0.00007942 0.00053224
0.00515298 0.00548055 0.00532853
-19.85886555 -1.44984920 6.56039599
-0.00021420 0.00038339 0.00017689
-0.00172038 -0.00027908 0.02842872
-20.81438261 0.13751094 4.25599352
-0.00108873 0.00093900 -0.00027579
-0.00446033 0.00609062 0.00425686
-3.69816927 8.04308741 -24.91599190
0.00044684 0.00172651 -0.00051754
0.01686972 0.01571490 -0.02068252
-4.45867261 8.91465654 -22.24940550
0.00034817 0.00121337 -0.00077310
0.00561006 0.00537400 0.00178217
3.61746649 0.88897262 -0.98857386
0.00069440 0.00036512 0.00051884
-0.02716384 0.02041170 -0.01351052
0.92017353 2.02052793 -2.18921215
-0.00007519 -0.00064574 -0.00027484
0.00866585 -0.02465498 0.00927239
16.26696464 7.58395347 6.41132788
-0.00035055 -0.00061087 0.00046573
-0.01388905 0.00228506 -0.01957531
15.86005204 9.34525524 3.96889769
-0.00030485 -0.00090677 -0.00024906
-0.00808344 -0.04665058 0.01930137
-0.35135609 -11.81819660 -13.39397667
-0.00002644 0.00001532 0.00024688
0.00587565 -0.00304168 0.00007198
-13.93142900 14.54389487 22.11139321
-0.00001651 -0.00009727 0.00014204
0.00192715 -0.00173389 0.00156301
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02727575
0.34460624
459.17054174
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571220930
ExchangeOperator: pair fraction: ispin=0: 0.1389075176
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.2834075053 (a.u.)
total exchange computation time: 2.8593931198 s
-153.7301482328
-931.37600478
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571220930
ExchangeOperator: pair fraction: ispin=0: 0.1389075176
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.2840673967 (a.u.)
total exchange computation time: 2.8600950241 s
-153.7256207189
Anderson extrapolation: theta=1.3631891562 (1.3631891562)
-931.37624941
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571220930
ExchangeOperator: pair fraction: ispin=0: 0.1389075176
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.2849006481 (a.u.)
total exchange computation time: 2.8616340160 s
-153.7199004848
Anderson extrapolation: theta=0.0560139506 (0.0560139506)
-931.37639799
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571220930
ExchangeOperator: pair fraction: ispin=0: 0.1389075176
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.2848844280 (a.u.)
total exchange computation time: 2.8592181206 s
-153.7200378997
Anderson extrapolation: theta=2.0277988616 (2.0000000000)
-931.37640420
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571220930
ExchangeOperator: pair fraction: ispin=0: 0.1389075176
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.2848186204 (a.u.)
total exchange computation time: 2.8593659401 s
-153.7204523072
Anderson extrapolation: theta=0.2347337438 (0.2347337438)
-931.37641120
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571220930
ExchangeOperator: pair fraction: ispin=0: 0.1389075176
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.2847860208 (a.u.)
total exchange computation time: 2.8605041504 s
-153.7205753204
Anderson extrapolation: theta=1.7230090081 (1.7230090081)
-931.37641260
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571220930
ExchangeOperator: pair fraction: ispin=0: 0.1389075176
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.2847363683 (a.u.)
total exchange computation time: 2.8633260727 s
-153.7206626186
Anderson extrapolation: theta=0.2934606044 (0.2934606044)
-931.37641424
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571220930
ExchangeOperator: pair fraction: ispin=0: 0.1389075176
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.2847305482 (a.u.)
total exchange computation time: 2.8595030308 s
-153.7205688997
Anderson extrapolation: theta=1.2576415344 (1.2576415344)
-931.37641466
-209.065690 50.570539 -160.628054
-134.181995 459.703005 -798.750116
-343.247685 510.273544 -959.378170
1139.563309
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571220930
ExchangeOperator: pair fraction: ispin=0: 0.1389075176
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.2847306362 (a.u.)
total exchange computation time: 2.8515098095 s
677.61006359
-1081.05276921
89.86396148
-390.92253981
-174.59040042
76.76331361
551.60419304
0.00000000
-931.37641501
-10.87263934 -4.23308973 6.73544875
-0.00026091 -0.00000295 -0.00006111
-0.01906676 0.01416675 -0.03108702
-14.15511754 3.49403602 9.44293798
0.00024733 0.00011019 -0.00021352
0.01459831 0.03137668 -0.00178910
-15.97892855 1.30978344 3.49058227
-0.00009220 0.00009333 -0.00021645
-0.00614878 -0.02583921 0.01886924
2.43538046 -19.80611635 12.81276140
0.00025663 0.00000949 0.00010600
0.01850661 0.00023444 0.03456425
9.59281881 20.40824951 0.92134042
0.00026973 -0.00014897 0.00033110
-0.00781753 -0.00574949 -0.00561012
-11.87648754 12.63017541 15.08197829
-0.00053453 -0.00018000 0.00010646
0.02537611 0.01834219 0.03016600
-6.32857291 1.51659630 -12.18075444
0.00019801 -0.00005503 -0.00041094
-0.00115782 0.00812013 -0.00559385
-7.39783391 7.82115409 -5.90434197
-0.00003202 -0.00000672 -0.00006048
-0.00484506 -0.02542035 0.00942330
-7.64627564 -4.42492992 17.84477235
-0.00019326 0.00029077 -0.00013808
-0.01884989 -0.01530595 0.03598093
-23.45014431 -4.91763053 -22.53064872
-0.00018705 -0.00045075 -0.00023760
-0.00223324 -0.01439037 0.02579399
6.63618549 12.78647048 6.05956502
-0.00001062 -0.00001157 -0.00010001
0.01774208 -0.02045256 0.00518142
24.67837216 30.37204510 -2.86342778
0.00008153 0.00030152 -0.00015850
-0.01021571 0.01206069 0.02800836
7.91604380 -1.27291236 -14.40194577
0.00003967 0.00019195 -0.00031587
0.00333425 0.00325187 -0.03758127
-7.18763468 -0.91100696 14.36007269
-0.00040747 -0.00020493 0.00022152
-0.02509913 -0.01336147 0.00714663
-1.94152671 -26.23790604 11.33373933
0.00022410 -0.00003107 -0.00002009
0.02001255 0.01982683 -0.04609322
-14.21209016 -4.63315763 -7.06555990
0.00029446 0.00018608 0.00012653
0.00529488 0.01874482 0.00786945
-20.00685703 -12.51774588 -17.86317248
0.00015638 -0.00015381 0.00030753
0.00730593 0.03295188 0.03290219
22.67363306 3.62236201 3.05878977
0.00024592 0.00010834 -0.00016343
-0.00406968 -0.00852107 0.00750872
17.78624649 -10.07949869 -14.35661633
-0.00017454 -0.00025960 -0.00002073
-0.01320020 -0.00289560 0.02999422
-2.16101341 1.90885981 -7.14399921
0.00021647 -0.00019826 0.00033387
0.01300718 0.00316054 -0.01619086
-4.12181961 -3.03505437 -15.62442676
-0.00028101 -0.00007974 0.00000707
-0.00853770 0.00482272 -0.00607681
13.38137529 17.20193238 -20.18907675
-0.00017670 0.00021121 0.00026075
0.01400567 0.02445714 -0.00846856
-16.42187064 16.06283663 -12.06424448
0.00043506 0.00003497 -0.00001747
0.00163064 -0.03100566 -0.04611461
1.53670621 14.29586750 7.54692711
0.00067641 0.00032952 -0.00010163
-0.01190979 0.04259079 0.01236963
-5.21176296 -9.58561823 2.07656937
-0.00037963 0.00001481 0.00016179
-0.00426102 -0.01305270 0.01204903
3.08725373 -6.33846796 2.49792348
-0.00009302 -0.00005448 0.00020201
-0.00503181 0.03557180 0.00700644
10.85870901 4.85065157 4.58271173
-0.00005207 0.00015087 -0.00038940
-0.01908162 0.00912352 0.00497443
-8.52718770 -9.72701603 -2.63713581
0.00006701 0.00003220 -0.00028171
-0.01975454 0.00757068 0.01383510
3.14901947 -15.99302385 -13.25378885
0.00011102 -0.00001449 0.00012036
-0.03342808 0.01098051 0.03316099
4.87205792 -8.43926506 -5.70344894
-0.00001565 0.00011199 0.00023078
-0.03120918 -0.03820952 0.02832331
18.56735154 0.78493174 24.80563482
0.00000352 0.00044835 -0.00023077
-0.02134156 0.00800346 0.00078704
-8.18277169 3.14389869 1.05068533
-0.00052103 -0.00000213 0.00021193
0.02518392 0.00475597 -0.01973473
-7.87136125 14.21036076 -10.59495369
0.00024351 0.00002300 0.00038880
-0.03689231 -0.01198229 -0.01737005
1.69010514 11.37133426 -8.99189198
0.00006868 0.00014064 0.00027955
-0.01467582 -0.01708360 -0.02872309
-11.85210171 9.97669930 -13.82269390
0.00017719 0.00023646 -0.00000200
0.01750238 -0.02545802 0.02300463
7.24332347 4.23571819 14.70928582
-0.00040627 0.00048311 -0.00006475
-0.00936882 0.03599151 -0.00314596
-14.60290224 9.38938560 -9.33008927
-0.00023210 -0.00034279 0.00048250
-0.04786089 -0.02566299 -0.02052831
8.52815225 8.35692732 -3.09468961
0.00014289 -0.00017304 0.00006313
-0.02643214 -0.00921691 -0.01373170
13.68086309 -20.38217782 -25.72625853
0.00010508 -0.00007389 -0.00001184
-0.01951526 -0.00860348 -0.04065852
6.35359724 6.49522182 2.69870309
-0.00007466 0.00006048 -0.00023349
-0.03489061 -0.04616563 0.00645669
19.22129362 -5.76797694 -6.49183910
-0.00008713 -0.00003952 -0.00034451
0.01723429 -0.01617756 0.02208213
-1.74480726 0.08939101 -2.48491804
0.00017562 -0.00017622 -0.00038137
0.03857469 -0.00820008 -0.01555582
2.41178763 -1.92328883 -12.38236753
-0.00027389 0.00006287 0.00043296
-0.03119762 0.03568937 0.00177169
20.55428284 9.35919845 -5.24188234
-0.00053466 0.00008301 -0.00007672
0.01822992 -0.04448202 -0.02382981
-7.46867169 6.47876535 9.42034131
0.00000178 -0.00005564 -0.00005058
-0.00751288 -0.00834821 0.04771006
-2.68377276 -14.60882882 11.59153665
-0.00000561 0.00000721 -0.00028931
-0.01088752 0.00204012 0.01266305
8.14496091 0.43142046 -4.97572947
-0.00004513 -0.00017945 0.00000156
-0.00130708 -0.00158540 0.03925616
-0.02187332 -10.03183281 0.50640607
-0.00009523 -0.00015519 -0.00015040
-0.00298610 -0.02356690 -0.00315593
-20.07504695 -1.45448263 4.76801128
-0.00010933 0.00015015 0.00006948
-0.00269063 0.00413282 -0.03613291
-4.69518978 7.61449128 -23.49458060
0.00001699 -0.00026800 -0.00017274
-0.01571589 -0.00928507 0.02177596
2.56791039 2.38630788 -1.40177535
0.00004874 -0.00024165 0.00044528
0.01797708 0.00620396 0.00606858
15.51295052 7.55700580 4.68802110
0.00005570 -0.00009235 -0.00009908
0.01771557 0.04409101 -0.00634911
-9.36685963 -4.84719740 7.40734442
0.00021993 0.00047922 0.00013112
0.02868409 -0.01514929 0.01496324
-10.53019441 -3.75070767 4.95301950
0.00052242 0.00034682 0.00040976
0.00248329 -0.01166314 0.01774274
-12.91690958 4.75556400 8.86830812
0.00019172 -0.00060326 -0.00078993
-0.01286909 -0.00208269 0.00661564
-13.42322514 2.03776380 8.66791345
-0.00029848 0.00035882 0.00008135
0.00119274 -0.01697112 -0.00696508
-14.80442947 1.32039167 4.94627914
-0.00036998 0.00139619 0.00127230
-0.01320189 -0.00048395 -0.01191549
-17.23899328 -0.09423036 4.02701109
0.00046754 0.00055538 0.00006971
0.01971633 0.02953903 -0.00964245
2.68818862 -21.21321485 11.65934788
0.00131922 -0.00061388 -0.00026001
0.00064886 -0.00449455 -0.00270651
3.55395928 -20.15231881 14.31542037
-0.00044546 0.00050873 -0.00045348
-0.01724240 0.00956632 -0.03170475
8.61410546 18.82183902 0.88549816
-0.00061873 0.00059313 0.00115040
0.00691210 0.00919213 -0.00180734
8.58299905 21.63786780 1.85969668
-0.00086554 -0.00049777 0.00053401
-0.00418856 -0.00144548 -0.00093649
-10.63680769 12.16927947 16.42938936
-0.00062148 -0.00090851 0.00016619
-0.01346493 0.00116391 -0.01518796
-12.56118216 14.20923254 15.78922979
0.00026033 -0.00057832 0.00010601
0.00152529 -0.00664404 -0.01159626
-5.62346616 0.20599492 -13.23022641
0.00112735 -0.00034808 -0.00065168
-0.00041607 -0.00270406 0.00271145
-6.74610874 0.80066025 -10.51863204
-0.00060237 -0.00036934 0.00080896
0.00141707 -0.00663184 -0.00062411
-6.73806552 6.40280366 -4.85810780
-0.00020538 -0.00033821 -0.00018680
-0.00925072 0.02062828 -0.01465475
-9.19525416 7.76334001 -5.49472626
0.00052805 0.00036042 0.00023524
0.00826589 0.00109128 -0.00469738
-8.69078907 -3.40415640 19.04363483
0.00071338 -0.00020237 0.00002958
0.01984636 -0.01409891 -0.02136405
-7.71237377 -6.15214789 18.60116634
-0.00014775 0.00067533 -0.00021573
-0.00234048 0.01828258 -0.00873759
-23.19705754 -3.35926560 -23.35398360
0.00010641 0.00009226 0.00054872
0.00041382 0.02554218 -0.02286041
-23.26094007 -4.41206351 -20.76818969
0.00087074 -0.00042350 -0.00008188
-0.00466955 -0.00890932 -0.00933626
6.72031850 13.26630874 4.30476442
-0.00067234 0.00010828 0.00047498
0.00380909 0.00294633 -0.00584050
8.11856735 11.61499291 6.35760783
0.00032615 0.00010610 0.00062231
-0.01951066 0.01657257 0.00093910
24.57639124 28.71778931 -2.07643778
0.00054723 -0.00042766 -0.00028078
0.00262984 0.00188166 -0.00341998
23.81885290 31.55348651 -1.62702862
0.00059775 -0.00005446 -0.00043097
0.01341245 -0.01172865 -0.01481122
9.45057080 -2.34415117 -14.46797060
-0.00004377 0.00049642 -0.00148009
-0.00336860 -0.00286392 0.00243899
7.63645715 -0.77016714 -12.75532765
0.00100054 -0.00083066 -0.00003756
-0.01019638 0.00163383 0.04260054
-7.36348955 -0.20714679 16.12367633
0.00012867 0.00096412 -0.00003848
0.00078744 -0.01377725 -0.02717085
-8.40407783 -2.37338591 14.14959035
-0.00011656 0.00065904 -0.00127806
0.02860581 0.03313284 0.01442116
-2.51241398 -26.70369123 12.98439032
-0.00020616 0.00032621 -0.00003571
-0.01777638 -0.00869137 0.01652102
-3.14316126 -25.91980151 9.94310420
0.00028342 0.00018875 0.00035261
0.00334767 -0.00682675 0.02040766
-14.00209080 -2.89094045 -6.37747854
-0.00116854 0.00021960 0.00041174
-0.00606103 -0.01354655 -0.00590958
-15.00303934 -4.48681810 -8.70121007
0.00017059 -0.00015431 0.00015359
0.00123219 -0.00153532 -0.00689473
-18.91627988 -11.43228941 -16.69124949
-0.00181833 0.00049316 -0.00041047
-0.01485168 -0.02116881 -0.02814674
-18.88718349 -13.85661104 -18.31784256
-0.00003035 0.00033800 -0.00030131
0.01814655 -0.00867838 -0.00391544
23.31654673 3.36649819 1.32843757
0.00100633 -0.00149087 -0.00011011
0.00506964 0.00906873 0.00569831
23.01825498 5.25684398 3.77580143
-0.00081750 -0.00041710 0.00096022
0.00202779 -0.00015716 -0.00536515
16.29133517 -9.70587468 -13.24079550
0.00049133 -0.00103184 -0.00078693
0.01942661 -0.00000877 -0.02051320
17.42482718 -9.60225174 -16.06205216
-0.00087856 -0.00109762 0.00067992
-0.00785350 0.00640479 -0.00851654
-0.55825691 2.51863794 -7.94503862
0.00014198 -0.00051825 -0.00063355
-0.01267204 -0.01273770 0.00759649
-2.50595095 0.34223491 -8.05981665
0.00119458 -0.00044686 0.00140552
-0.00279477 0.00916951 0.00551418
-5.71456746 -3.13643918 -16.55213557
0.00059589 -0.00065924 -0.00004029
0.01118102 -0.00219574 0.00458686
-3.13138669 -1.91258614 -16.70050601
-0.00065885 0.00056893 0.00008268
-0.00535255 0.00034554 0.00077242
12.83323380 18.72527257 -21.12604397
0.00040835 0.00047999 0.00096560
0.00535569 -0.01243591 0.01148550
11.88300320 16.20691727 -20.29090058
0.00021967 -0.00055507 0.00084982
-0.01626926 -0.01506036 -0.00316272
-15.30157692 15.42923211 -13.55713827
0.00048544 0.00003074 -0.00118189
-0.02262676 0.01804058 0.03787023
-17.95568274 15.05273281 -12.59809979
0.00053500 0.00046534 0.00048063
0.02053369 0.01189467 0.01782960
2.64597258 15.20356181 6.40329110
0.00063667 -0.00011177 -0.00071290
0.00309824 -0.01403104 -0.01382002
0.60176205 15.80150293 8.19895781
-0.00010695 0.00089655 0.00065155
0.00029908 -0.02835459 -0.00130810
-6.36304131 -8.41315080 1.27613318
0.00128409 -0.00079723 0.00013839
0.01117531 0.00582097 0.00102813
-3.45116073 -9.23944662 1.65627006
0.00001366 -0.00059344 0.00013835
-0.00114816 0.00165574 -0.00771652
2.55178799 -4.56006537 2.77206691
-0.00006821 -0.00222954 -0.00026651
0.00185195 -0.01954278 0.00642965
4.47566920 -6.02896287 1.36190117
-0.00013117 -0.00067516 -0.00014388
0.01187935 -0.01300728 -0.00487655
9.26782938 5.83476420 4.31172086
0.00022600 -0.00064161 0.00029170
0.01995663 -0.01135178 -0.00387137
12.22363686 6.07847742 4.71687322
-0.00026174 0.00058092 0.00010719
0.00257459 0.00188376 0.00141478
-7.70739468 -11.21099866 -2.04302541
0.00011255 0.00128647 -0.00078961
0.02298465 -0.01855801 -0.00890383
-9.80035593 -9.61764709 -1.30462500
0.00050945 0.00039918 -0.00028672
-0.00598827 0.01405686 -0.01005488
4.58901047 -16.70020017 -14.09966219
0.00026360 0.00042813 -0.00164381
0.00410329 -0.01006643 0.01894059
2.78691035 -16.63152734 -11.45903568
0.00078470 -0.00022727 0.00105680
0.02513431 0.00094438 -0.05126948
5.86451045 -7.02480090 -6.15672099
-0.00056267 -0.00022832 0.00011708
0.01691827 0.02603875 0.00733505
4.86429207 -8.73353093 -3.84513390
0.00008624 0.00079640 0.00110632
0.00778262 0.01441030 -0.03022466
16.89743815 1.54450370 24.41419757
-0.00056190 -0.00067435 0.00037135
0.00891275 -0.00889961 0.00235858
19.53582839 2.27445093 25.28537308
0.00097465 -0.00000858 -0.00098257
0.00750137 -0.00357446 -0.00325117
-9.59403917 3.03622613 2.13911541
-0.00053407 0.00047381 0.00044419
-0.02277508 0.00785622 0.02162833
-7.80274887 4.93391586 0.85726534
0.00039099 -0.00050778 -0.00045959
0.00261065 -0.00685009 0.00584942
-6.62349809 14.70715273 -9.45638433
-0.00001179 -0.00104075 0.00008395
0.02448694 0.01021129 0.02542411
-9.40428824 13.84389953 -9.56270366
0.00105455 0.00018871 -0.00024004
0.01499989 -0.00030580 -0.00921368
0.06343694 10.97553519 -8.26304567
0.00003669 -0.00042024 -0.00044909
0.00373302 0.00020680 0.00847931
2.40743210 12.63362305 -7.94204568
0.00026433 -0.00046920 -0.00069475
0.01461571 0.01432623 0.01757188
-10.37916262 8.79968800 -13.66564937
-0.00011266 0.00041131 0.00017314
-0.01550761 0.01776357 -0.00827977
-12.59771724 9.80576135 -12.09651053
0.00094114 0.00017092 -0.00130928
-0.00297855 0.00605394 -0.01648241
7.12632298 6.06874845 15.05131965
0.00002577 -0.00069610 0.00117134
0.00557632 -0.01661854 -0.00413563
7.32735861 4.20747939 12.86608211
-0.00070174 -0.00063683 -0.00018697
0.00488518 -0.00929714 0.00003463
-14.12756811 10.71105043 -8.22351689
0.00016408 0.00012858 -0.00077786
0.01699374 0.02251304 0.01890941
-16.44964590 9.67017320 -9.56198820
0.00065427 0.00080726 -0.00050182
0.02316369 -0.00449403 -0.00134628
8.77084087 9.77848987 -2.03305926
-0.00046994 -0.00020162 -0.00029595
0.00666806 0.01762222 0.01249015
6.84114049 8.75838757 -3.78819792
-0.00067273 -0.00063005 -0.00246662
0.01736566 -0.00702897 0.00563389
12.08304341 -20.48345630 -26.70255166
0.00027894 0.00028226 -0.00016284
0.01624470 0.00370367 0.01678306
13.30200552 -19.68232763 -24.08064724
0.00071964 -0.00014370 -0.00035270
0.00210186 -0.00251426 0.01195119
5.60276301 4.68104858 2.67265275
0.00010228 0.00102006 0.00020399
0.02432245 0.03269546 0.01025112
6.32249238 6.84178493 0.93283192
-0.00031222 0.00120342 -0.00001830
0.00861801 0.01065905 -0.01539684
20.55999341 -6.65184125 -5.50246782
-0.00020004 0.00046156 -0.00072945
-0.02562037 0.01548016 -0.01377399
17.97111390 -5.08787008 -5.31506678
-0.00092809 -0.00035337 0.00027584
0.00421590 -0.00005955 -0.00115740
-3.07409936 0.07864827 -1.31480379
-0.00011781 -0.00004658 0.00070909
-0.02466980 0.01188563 0.01422410
-2.02598647 0.94392486 -4.10090967
-0.00079557 0.00057975 0.00021946
-0.01700014 -0.00321751 -0.00392349
3.47129399 -3.29699551 -12.10383806
-0.00012400 -0.00019713 0.00006364
0.03998497 -0.03527686 0.00376740
0.85340939 -2.40513865 -11.47916834
0.00060051 0.00064882 -0.00033384
-0.00457705 -0.00328875 -0.00673022
20.29596269 8.17627497 -6.72224056
-0.00095188 0.00042055 0.00075096
-0.00352880 0.02504808 0.02399878
22.22838571 8.63533250 -4.56566475
-0.00056262 -0.00074914 -0.00044290
-0.02427356 0.01777875 -0.00963979
-7.58625452 4.68836472 8.94866548
-0.00011521 0.00012601 -0.00027262
0.00496659 0.00160682 0.00343366
-7.30117937 6.31101970 11.32776566
-0.00018296 -0.00037363 0.00063413
-0.00919892 0.00488471 -0.04137392
-3.05158155 -16.39428838 11.87373123
0.00037946 -0.00028051 -0.00070214
0.00036576 0.00875551 -0.00475187
-4.30411406 -13.72872702 11.82740783
0.00076616 0.00081427 -0.00020288
0.01574300 -0.01087604 -0.00332562
8.16143040 0.18864891 -3.07023909
0.00044840 0.00059324 -0.00018958
-0.00079090 0.01113559 -0.04375696
7.62552931 2.22125554 -5.57874957
0.00013244 0.00031792 0.00008494
0.01060205 -0.02816164 0.00955711
1.16089662 -10.59509570 1.84207261
0.00069496 -0.00056489 -0.00076521
-0.00899711 0.00952355 -0.00354141
0.35003602 -8.33076433 -0.01133571
-0.00078601 -0.00005313 0.00055218
0.00578274 0.00738523 0.00443321
-19.86213122 -1.44410698 6.56392046
-0.00022177 0.00038277 0.00028969
-0.00198620 -0.00002170 0.02678991
-20.83085023 0.15178262 4.25198716
-0.00109906 0.00094894 -0.00025299
-0.00059732 -0.00122406 0.00690041
-3.69094970 8.06946667 -24.92438871
0.00050545 0.00178408 -0.00059070
0.01182030 0.01246418 -0.01513334
-4.45327821 8.93302174 -22.26094741
0.00036751 0.00122623 -0.00077085
0.00386096 0.00092144 -0.00068185
3.62705015 0.89507496 -0.98120531
0.00058454 0.00044598 0.00046369
-0.02661566 0.01916714 -0.01348644
0.91931127 2.01008627 -2.19305056
-0.00003490 -0.00074573 -0.00023438
0.01105400 -0.02428975 0.01052912
16.26128079 7.57486051 6.41771404
-0.00040825 -0.00060034 0.00038182
-0.01435363 0.00286817 -0.02150182
15.85523158 9.33022419 3.96575325
-0.00033580 -0.00109004 -0.00017190
-0.00706466 -0.04306141 0.01847039
-0.35173690 -11.81797501 -13.39027330
-0.00002430 0.00001425 0.00024690
0.00606434 -0.00292684 0.00003293
-13.93167329 14.54243280 22.11352660
-0.00001609 -0.00009769 0.00014241
0.00168701 -0.00187718 0.00156172
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02728488
0.34913013
465.19839719
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1386046512
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.2954594184 (a.u.)
total exchange computation time: 2.7456500530 s
-153.7785435677
-931.37951964
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1386046512
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.2960904795 (a.u.)
total exchange computation time: 2.7453749180 s
-153.7743426378
Anderson extrapolation: theta=1.3487268309 (1.3487268309)
-931.37975204
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1386046512
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.2968964882 (a.u.)
total exchange computation time: 2.7460770607 s
-153.7690626366
Anderson extrapolation: theta=0.0515919132 (0.0515919132)
-931.37989044
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1386046512
ExchangeOperator: bisection time: 1.156 s
total exchange = -52.2968940223 (a.u.)
total exchange computation time: 2.7474179268 s
-153.7691797997
Anderson extrapolation: theta=1.9490964801 (1.9490964801)
-931.37989557
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1386046512
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.2968667289 (a.u.)
total exchange computation time: 2.7484321594 s
-153.7695080240
Anderson extrapolation: theta=0.2179593389 (0.2179593389)
-931.37990097
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1386046512
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.2968505455 (a.u.)
total exchange computation time: 2.7463719845 s
-153.7695828130
Anderson extrapolation: theta=1.9026673033 (1.9026673033)
-931.37990198
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1386046512
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.2968283259 (a.u.)
total exchange computation time: 2.7483558655 s
-153.7695920507
Anderson extrapolation: theta=0.2860183449 (0.2860183449)
-931.37990320
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1386046512
ExchangeOperator: bisection time: 1.154 s
total exchange = -52.2968311888 (a.u.)
total exchange computation time: 2.7475068569 s
-153.7694724317
Anderson extrapolation: theta=1.3291976459 (1.3291976459)
-931.37990348
-253.383582 50.545230 -160.645324
-134.151364 459.715579 -798.790777
-387.534946 510.260809 -959.436101
1153.718796
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1386046512
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.2968412478 (a.u.)
total exchange computation time: 2.7490770817 s
677.80213174
-1081.44310935
89.83882510
-390.65870672
-174.62220320
76.97480752
551.60419304
0.00000000
-931.37990367
-10.87662655 -4.23307939 6.73441212
-0.00026976 0.00000379 -0.00007642
-0.01532987 0.01205085 -0.02842647
-14.15135124 3.49580988 9.43972826
0.00025409 0.00012667 -0.00021390
0.01167441 0.03272257 0.00031641
-15.98033530 1.31108380 3.48740828
-0.00009389 0.00008070 -0.00020561
-0.00039889 -0.02331224 0.02328702
2.43930135 -19.80597312 12.81448476
0.00026547 0.00000865 0.00012157
0.01586686 -0.00348360 0.02595374
9.59683456 20.40599274 0.92628521
0.00026486 -0.00015112 0.00032893
-0.01109378 -0.00259526 -0.00280777
-11.88440754 12.62754614 15.08369160
-0.00052088 -0.00017161 0.00012175
0.02768898 0.01430338 0.02927545
-6.32560722 1.51580211 -12.18694018
0.00019739 -0.00005250 -0.00041265
-0.00127242 0.00173913 -0.00103964
-7.39833295 7.82095528 -5.90521285
-0.00003358 -0.00001990 -0.00005579
-0.00120080 -0.02586317 0.00882983
-7.64924732 -4.42062747 17.84284001
-0.00020223 0.00028275 -0.00012039
-0.01602205 -0.01588119 0.03278264
-23.45295869 -4.92444724 -22.53411316
-0.00018802 -0.00045742 -0.00022406
-0.00152279 -0.01157785 0.02684735
6.63609470 12.78621797 6.05808491
-0.00000133 -0.00002241 -0.00009601
0.01834656 -0.02169619 0.01037125
24.67955564 30.37661448 -2.86569722
0.00007664 0.00030610 -0.00014443
-0.00879892 0.00573961 0.02668989
7.91665170 -1.27002062 -14.40682878
0.00004101 0.00019392 -0.00033543
0.00189489 0.00443183 -0.03849374
-7.19384361 -0.91413243 14.36342306
-0.00041934 -0.00021053 0.00022479
-0.02103289 -0.00841671 0.00554944
-1.93808806 -26.23829562 11.33326013
0.00023452 -0.00002109 -0.00004325
0.02051037 0.01899477 -0.04396947
-14.20765280 -4.63029407 -7.06363163
0.00029704 0.00019566 0.00013051
0.00474358 0.01850310 0.00762029
-20.00448319 -12.51992592 -17.85843254
0.00015848 -0.00013720 0.00032341
0.00087986 0.03164971 0.02881902
22.67730624 3.62395420 3.05636735
0.00024365 0.00010300 -0.00016001
-0.00476244 -0.01222604 0.00577270
17.78357748 -10.08340379 -14.35681158
-0.00017983 -0.00026172 -0.00000498
-0.00736671 -0.00537125 0.03127146
-2.15771617 1.90589812 -7.13905362
0.00022366 -0.00019583 0.00032563
0.01495407 0.00627556 -0.01583873
-4.12606775 -3.03623182 -15.62434419
-0.00028411 -0.00007692 0.00000436
-0.00350478 0.00613234 -0.00443175
13.37877875 17.20519483 -20.18519816
-0.00016919 0.00022316 0.00025683
0.01522673 0.02201295 -0.00679076
-16.41533852 16.06324151 -12.06468437
0.00043689 0.00001928 -0.00004159
0.00548588 -0.03000008 -0.04770923
1.54680637 14.30097455 7.54545043
0.00066951 0.00035244 -0.00009478
-0.01489457 0.04653137 0.01425485
-5.21747384 -9.58544641 2.07904276
-0.00037926 0.00000625 0.00016914
0.00569671 -0.02022751 0.01651932
3.08583897 -6.33914793 2.50098061
-0.00009439 -0.00003973 0.00020491
-0.00029584 0.02177774 0.00427048
10.85785442 4.85294978 4.57688985
-0.00006071 0.00015517 -0.00038653
-0.01451529 0.00761221 0.00622154
-8.52625870 -9.72650390 -2.64130803
0.00005606 0.00003817 -0.00027578
-0.02284555 0.01566664 0.00919713
3.15055588 -15.99319891 -13.25185559
0.00009484 -0.00000959 0.00013736
-0.02949884 0.00808177 0.03296905
4.87170284 -8.43773255 -5.69987806
-0.00003224 0.00009145 0.00024674
-0.03331763 -0.04169367 0.03376481
18.56732195 0.79168789 24.80217634
-0.00000733 0.00045186 -0.00023037
-0.02082615 0.00562598 0.00077547
-8.19048999 3.14388506 1.05378821
-0.00050835 -0.00000036 0.00020194
0.02413221 0.00212941 -0.01913829
-7.86785086 14.21065952 -10.58918870
0.00022480 0.00001681 0.00037811
-0.03589444 -0.01210073 -0.02418564
1.69107880 11.37337797 -8.98780953
0.00006063 0.00013042 0.00026333
-0.01663444 -0.02266681 -0.03436090
-11.84937639 9.98014806 -13.82263523
0.00018674 0.00022385 0.00000778
0.01964127 -0.02357706 0.01503550
7.23719325 4.24310372 14.70830246
-0.00041091 0.00049945 -0.00006648
-0.00868175 0.02752451 -0.00357628
-14.60656839 9.38414480 -9.32293102
-0.00025592 -0.00035637 0.00047167
-0.04476755 -0.02717135 -0.02158726
8.53019365 8.35429614 -3.09379558
0.00012714 -0.00017809 0.00005453
-0.03482304 -0.01042105 -0.01972880
13.68236395 -20.38331939 -25.72659302
0.00009552 -0.00007860 -0.00003346
-0.01764184 -0.00971266 -0.04338974
6.35234269 6.49595094 2.69522561
-0.00009212 0.00003797 -0.00023011
-0.03300793 -0.04136338 0.00670089
19.22005321 -5.76863207 -6.49692153
-0.00008000 -0.00004685 -0.00033268
0.01047153 -0.01234117 0.02391030
-1.74202418 0.08671605 -2.49069863
0.00019357 -0.00018040 -0.00038781
0.03122670 -0.00805418 -0.00947637
2.40755890 -1.92220816 -12.37586624
-0.00028757 0.00008116 0.00043303
-0.02197205 0.03544541 -0.00150640
20.54633323 9.36027208 -5.24312502
-0.00052494 0.00006067 -0.00008795
0.01957517 -0.04239238 -0.01984017
-7.46867401 6.47789856 9.41976667
-0.00000207 -0.00005977 -0.00002523
-0.00745007 -0.00770773 0.05085746
-2.68389887 -14.60871279 11.58724583
-0.00001047 0.00000795 -0.00028293
-0.00801214 0.00085106 0.01216758
8.14427889 0.42872255 -4.97555460
-0.00004591 -0.00017958 0.00002119
-0.00173409 0.00110379 0.03705509
-0.02331324 -10.03425158 0.50413788
-0.00009665 -0.00016781 -0.00015168
-0.00256841 -0.02551289 -0.00180907
-20.07669726 -1.45221441 4.76891415
-0.00011153 0.00015394 0.00005095
-0.00587996 0.01061352 -0.03593174
-4.69499550 7.61043544 -23.49708765
0.00001070 -0.00027077 -0.00016249
-0.00874103 -0.00148105 0.01808521
2.56871088 2.38270702 -1.39507268
0.00005709 -0.00023817 0.00044812
0.01449414 0.00735041 0.00497514
15.51385432 7.55579056 4.68651046
0.00006452 -0.00007108 -0.00010158
0.01657463 0.03864057 -0.00336995
-9.36268175 -4.84047326 7.40976976
0.00033024 0.00042041 0.00019035
0.02531535 -0.01364110 0.01402860
-10.52228198 -3.74586271 4.95970966
0.00053207 0.00029998 0.00047813
0.00224115 -0.01126883 0.01572132
-12.91442809 4.74645126 8.85666184
0.00014244 -0.00060713 -0.00076359
-0.01125424 0.00018691 0.00628119
-13.42766582 2.04262607 8.66892031
-0.00029094 0.00028154 0.00004990
0.00250063 -0.02085943 -0.00843252
-14.81038372 1.34131975 4.96499853
-0.00043102 0.00139277 0.00121303
-0.01667497 -0.00119478 -0.01709615
-17.23137606 -0.08499453 4.02776129
0.00054345 0.00067152 0.00003163
0.01744396 0.02731405 -0.00899907
2.70799678 -21.22256073 11.65536484
0.00131917 -0.00062274 -0.00026393
-0.00067299 0.00015498 0.00078746
3.54674909 -20.14439477 14.30764665
-0.00050856 0.00054568 -0.00057258
-0.01364644 0.00852369 -0.02659678
8.60503637 18.83101757 0.90269885
-0.00058928 0.00062657 0.00114127
0.00749961 0.00717912 -0.00266460
8.56988762 21.63035696 1.86767808
-0.00087698 -0.00050499 0.00052706
-0.00141127 -0.00208882 -0.00246442
-10.64654248 12.15568754 16.43141683
-0.00067759 -0.00090283 0.00010273
-0.01400181 0.00161518 -0.01587855
-12.55723041 14.20035419 15.79046458
0.00026288 -0.00059782 0.00006208
-0.00028028 -0.00290379 -0.00990527
-5.60656863 0.20069081 -13.23991856
0.00112091 -0.00035192 -0.00063337
-0.00273876 0.00082463 0.00625502
-6.75510084 0.79491699 -10.50651681
-0.00059160 -0.00039113 0.00079082
0.00385397 -0.00403734 -0.00825419
-6.74142969 6.39836266 -4.86135887
-0.00024272 -0.00025302 -0.00024690
-0.00902701 0.02107102 -0.01476442
-9.18708012 7.76877979 -5.49134157
0.00055407 0.00036499 0.00021753
0.00447061 0.00114684 -0.00397075
-8.67948027 -3.40762398 19.04342389
0.00078898 -0.00025395 -0.00005239
0.01716313 -0.01115180 -0.01876195
-7.71466170 -6.14145768 18.59766265
-0.00015728 0.00074465 -0.00024992
-0.00232828 0.01564758 -0.00799821
-23.19544873 -3.35709900 -23.34645335
0.00010747 0.00019274 0.00045573
0.00010692 0.02364093 -0.02265698
-23.24802205 -4.41868901 -20.76970391
0.00085066 -0.00046179 -0.00012225
-0.00515873 -0.00983536 -0.01042811
6.71035012 13.26802321 4.31171016
-0.00065494 0.00012153 0.00044306
0.00470624 0.00353998 -0.00978644
8.12286181 11.61709225 6.36697127
0.00024415 0.00017570 0.00062350
-0.02063287 0.01749474 -0.00035859
24.58468026 28.71143202 -2.08075430
0.00055795 -0.00041164 -0.00029769
0.00261577 0.00596273 -0.00485652
23.82823017 31.55231018 -1.63394698
0.00064888 -0.00009875 -0.00048689
0.01161381 -0.00995200 -0.01256318
9.44981106 -2.33679261 -14.49009722
-0.00005539 0.00048301 -0.00146956
-0.00232044 -0.00370130 0.00271495
7.65115280 -0.78257703 -12.75458563
0.00095937 -0.00082409 0.00013835
-0.00995590 0.00158293 0.04350568
-7.36153535 -0.19310710 16.12226650
0.00012971 0.00090484 -0.00014984
-0.00028157 -0.01524133 -0.02733970
-8.40494964 -2.36248499 14.13086139
-0.00000596 0.00078809 -0.00121647
0.02553467 0.03003578 0.01572666
-2.51605117 -26.69906435 12.98436088
-0.00027790 0.00029108 0.00003052
-0.01734107 -0.00850921 0.01589820
-3.13880738 -25.91717948 9.94901868
0.00029459 0.00016158 0.00043280
0.00211996 -0.00647061 0.01884595
-14.01980459 -2.88806152 -6.37148357
-0.00119211 0.00016482 0.00038763
-0.00547903 -0.01327178 -0.00589212
-15.00044280 -4.48917981 -8.69911747
0.00017575 -0.00016061 0.00012575
0.00129716 -0.00155062 -0.00673486
-18.94400994 -11.42554066 -16.69826904
-0.00187000 0.00041135 -0.00051789
-0.01043843 -0.01887832 -0.02443605
-18.88708270 -13.85180695 -18.32248212
0.00004764 0.00030030 -0.00031694
0.02003220 -0.00977549 -0.00373807
23.33179700 3.34441308 1.32696057
0.00102649 -0.00144971 -0.00008312
0.00479892 0.01107601 0.00751129
23.00605465 5.25058265 3.79004035
-0.00080712 -0.00041433 0.00093734
0.00305139 0.00151318 -0.00583658
16.29930049 -9.72135256 -13.25322811
0.00056048 -0.00102931 -0.00086177
0.01441833 0.00124524 -0.01611958
17.41140818 -9.61851981 -16.05211427
-0.00091194 -0.00106875 0.00063337
-0.00848954 0.00772957 -0.01427232
-0.55651559 2.51047389 -7.95430902
0.00008885 -0.00056947 -0.00060013
-0.01333088 -0.01233415 0.00876222
-2.48811792 0.33581299 -8.03856488
0.00118034 -0.00041632 0.00142437
-0.00417610 0.00578199 0.00371318
-5.70528656 -3.14639506 -16.55259931
0.00063166 -0.00066930 -0.00002663
0.00633009 -0.00272919 0.00209958
-3.14143339 -1.90404163 -16.69924215
-0.00068089 0.00056897 0.00008705
-0.00543905 -0.00032583 0.00136774
12.83952312 18.73209128 -21.11120803
0.00042660 0.00043066 0.00100992
0.00358095 -0.01170795 0.01021016
11.88579969 16.19812970 -20.27825018
0.00015465 -0.00061306 0.00083578
-0.01555875 -0.01332502 -0.00371192
-15.29498872 15.43024607 -13.57370610
0.00038878 0.00010576 -0.00102180
-0.02468679 0.01867833 0.04049503
-17.94702859 15.06007740 -12.59034404
0.00061490 0.00051060 0.00055110
0.01858023 0.01026005 0.01666603
2.65561753 15.20145525 6.39217407
0.00064664 -0.00016845 -0.00076645
0.00178425 -0.01371371 -0.01239361
0.60016696 15.81408227 8.20869090
-0.00009762 0.00077144 0.00063998
0.00426762 -0.03288409 -0.00435435
-6.34343756 -8.42493088 1.27824047
0.00131317 -0.00075755 0.00013164
0.00306082 0.01360204 -0.00433031
-3.45099106 -9.24829741 1.65810888
0.00000540 -0.00058789 0.00010846
-0.00289234 0.00106054 -0.00691383
2.55082153 -4.59410736 2.76826626
-0.00006862 -0.00228128 -0.00023626
-0.00205171 -0.00578402 0.00837762
4.47406573 -6.03948890 1.35959353
-0.00008390 -0.00072823 -0.00016259
0.01125637 -0.01297058 -0.00428342
9.27183086 5.82479223 4.31597767
0.00029985 -0.00068254 0.00027412
0.01619702 -0.00868591 -0.00473453
12.21978964 6.08724902 4.71852443
-0.00025273 0.00058666 0.00011238
0.00183620 0.00092256 0.00112516
-7.70500217 -11.19227035 -2.05514248
0.00021533 0.00119410 -0.00081923
0.02733066 -0.02665604 -0.00559474
-9.79289771 -9.61122869 -1.30923392
0.00048221 0.00045635 -0.00032478
-0.00734269 0.01392893 -0.00857549
4.59309027 -16.69408675 -14.12373894
0.00027059 0.00039145 -0.00155914
-0.00068190 -0.00788775 0.02250602
2.79945107 -16.63490741 -11.44475473
0.00088881 -0.00022188 0.00084034
0.02582560 0.00169469 -0.05468944
5.85658880 -7.02742773 -6.15473999
-0.00048869 -0.00011537 0.00014457
0.01929476 0.02924696 0.00611833
4.86582416 -8.72114332 -3.82946521
0.00011794 0.00085580 0.00097410
0.00773343 0.01466298 -0.03450089
16.88928271 1.53411569 24.41984004
-0.00052458 -0.00070753 0.00038132
0.00935872 -0.00734293 0.00252278
19.55067801 2.27421275 25.27053492
0.00100333 -0.00002117 -0.00099601
0.00653639 -0.00259262 -0.00332584
-9.60274817 3.04357403 2.14644100
-0.00062431 0.00050722 0.00053005
-0.02139840 0.00850020 0.02040151
-7.79680406 4.92608927 0.85055067
0.00040160 -0.00053202 -0.00043530
0.00258537 -0.00501576 0.00604065
-6.62292451 14.69185436 -9.45434606
0.00009723 -0.00099604 0.00019511
0.02887449 0.01167574 0.02898909
-9.38801038 13.84672082 -9.56658664
0.00110463 0.00018506 -0.00027098
0.00951649 -0.00148257 -0.00592999
0.06410172 10.96923786 -8.26952217
0.00005129 -0.00041820 -0.00041259
0.00341294 0.00079174 0.00938571
2.41184497 12.62702401 -7.95192840
0.00032830 -0.00040028 -0.00061319
0.01669800 0.01941372 0.02235157
-10.38132767 8.80640191 -13.66330594
-0.00017175 0.00048095 0.00013843
-0.01342085 0.01632697 -0.00871487
-12.58369140 9.80851064 -12.11665477
0.00092064 0.00019477 -0.00135924
-0.00705497 0.00561998 -0.00797357
7.12688041 6.05779778 15.06876308
0.00004776 -0.00075132 0.00115307
0.00518947 -0.01041558 -0.00480903
7.31698225 4.19764201 12.86327858
-0.00068176 -0.00067092 -0.00018397
0.00489321 -0.00738902 0.00143571
-14.12458619 10.71366894 -8.23460538
0.00023508 0.00022362 -0.00069813
0.01776106 0.02401024 0.02011926
-16.43912199 9.68214436 -9.56955671
0.00074093 0.00078869 -0.00050775
0.01925381 -0.00459677 -0.00155804
8.76399608 9.77600550 -2.03711579
-0.00044430 -0.00012517 -0.00024291
0.00588234 0.01980484 0.01347245
6.83158174 8.74872149 -3.82502459
-0.00058294 -0.00066044 -0.00243320
0.02658483 -0.00785073 0.01072630
12.08772531 -20.47910888 -26.70448001
0.00034356 0.00029722 -0.00009444
0.01538471 0.00361745 0.01670165
13.31286457 -19.68456022 -24.08557156
0.00072593 -0.00015144 -0.00029784
0.00097466 -0.00127227 0.01490687
5.60504253 4.69735142 2.67602674
0.00019786 0.00114559 0.00024331
0.02246497 0.02874926 0.00899388
6.31807320 6.86016289 0.93208558
-0.00027744 0.00124536 -0.00007985
0.00840759 0.00986738 -0.01472943
20.55620774 -6.64444345 -5.51383172
-0.00029913 0.00052101 -0.00078153
-0.02288412 0.01362030 -0.01171478
17.95732176 -5.09317243 -5.31096460
-0.00090289 -0.00035746 0.00026338
0.00812110 -0.00194455 -0.00494313
-3.07662240 0.07831377 -1.30373152
-0.00020410 0.00000195 0.00075617
-0.01757244 0.01187100 0.00881817
-2.03844100 0.95252250 -4.09773799
-0.00086368 0.00056661 0.00020303
-0.01633780 -0.00321231 -0.00411773
3.47065926 -3.30103344 -12.10276796
0.00003514 -0.00033608 0.00007786
0.03791526 -0.03274187 0.00319112
0.86227684 -2.39550719 -11.48438213
0.00056853 0.00063124 -0.00035305
-0.01108152 -0.00531396 -0.00267362
20.28157629 8.18335080 -6.71024072
-0.00096834 0.00051685 0.00084076
-0.00452609 0.02208860 0.01995926
22.21920257 8.62464015 -4.57260363
-0.00066188 -0.00067461 -0.00048119
-0.02431376 0.01870749 -0.00910280
-7.58783052 4.69030412 8.94468146
-0.00009486 0.00013058 -0.00025871
0.00499631 0.00062750 0.00337550
-7.30420571 6.30556494 11.33600976
-0.00022052 -0.00035294 0.00045865
-0.00918311 0.00524439 -0.04452581
-3.04587841 -16.39822777 11.86305349
0.00037944 -0.00024183 -0.00072151
-0.00037567 0.01017890 -0.00472849
-4.29213924 -13.71684618 11.82426266
0.00082566 0.00076933 -0.00021570
0.01338146 -0.01112315 -0.00294725
8.16813220 0.19788873 -3.07442358
0.00044502 0.00063700 -0.00036431
-0.00086480 0.01028401 -0.04177588
7.62784083 2.22516134 -5.57718256
0.00017616 0.00020016 0.00012337
0.01079695 -0.02947907 0.00925347
1.17104530 -10.60327719 1.83048594
0.00065581 -0.00052500 -0.00078050
-0.01016623 0.01000096 -0.00394270
0.33842303 -8.33133502 -0.00291709
-0.00076132 -0.00001968 0.00056869
0.00630320 0.00898793 0.00364581
-19.86551862 -1.43836609 6.56908679
-0.00023064 0.00038312 0.00039387
-0.00235391 0.00019221 0.02420505
-20.84735446 0.16597928 4.24840371
-0.00109402 0.00093019 -0.00021983
0.00306635 -0.00795437 0.00933330
-3.68300571 8.09660981 -24.93371298
0.00054303 0.00182761 -0.00064057
0.00657433 0.00884280 -0.00927933
-4.44764719 8.95144340 -22.27253109
0.00037975 0.00122090 -0.00077829
0.00212874 -0.00352978 -0.00295889
3.63500264 0.90235198 -0.97466330
0.00047814 0.00052043 0.00040915
-0.02546623 0.01727653 -0.01320886
0.91912647 1.99815599 -2.19624368
0.00001457 -0.00084400 -0.00018901
0.01316223 -0.02381351 0.01168346
16.25471727 7.56594333 6.42278244
-0.00046729 -0.00058746 0.00029121
-0.01455097 0.00343594 -0.02285013
15.84997816 9.31255407 3.96374079
-0.00036216 -0.00125621 -0.00009924
-0.00584243 -0.03828233 0.01709728
-0.35208515 -11.81776913 -13.38656976
-0.00002210 0.00001322 0.00024690
0.00626604 -0.00281159 -0.00000630
-13.93191171 14.54096418 22.11566543
-0.00001573 -0.00009814 0.00014277
0.00144810 -0.00202786 0.00155514
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02723175
0.35267192
469.91765010
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1386046512
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3104788070 (a.u.)
total exchange computation time: 2.7477469444 s
-153.8355079550
-931.38168761
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1386046512
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3109929986 (a.u.)
total exchange computation time: 2.7478709221 s
-153.8321086375
Anderson extrapolation: theta=1.3479575554 (1.3479575554)
-931.38191297
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1386046512
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3116244854 (a.u.)
total exchange computation time: 2.7468709946 s
-153.8280071653
Anderson extrapolation: theta=0.0511029350 (0.0511029350)
-931.38204678
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1386046512
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3116000893 (a.u.)
total exchange computation time: 2.7466199398 s
-153.8282605309
Anderson extrapolation: theta=1.9154934953 (1.9154934953)
-931.38205166
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1386046512
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3115253728 (a.u.)
total exchange computation time: 2.7491869926 s
-153.8288864558
Anderson extrapolation: theta=0.2104569504 (0.2104569504)
-931.38205674
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1386046512
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3114953885 (a.u.)
total exchange computation time: 2.7453429699 s
-153.8290540672
Anderson extrapolation: theta=1.8842227156 (1.8842227156)
-931.38205769
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1386046512
ExchangeOperator: bisection time: 1.155 s
total exchange = -52.3114462350 (a.u.)
total exchange computation time: 2.7457311153 s
-153.8292521927
Anderson extrapolation: theta=0.2827828823 (0.2827828823)
-931.38205889
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1386046512
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3114411306 (a.u.)
total exchange computation time: 2.7489430904 s
-153.8291944478
Anderson extrapolation: theta=1.3402473193 (1.3402473193)
-931.38205918
-253.320111 50.521506 -160.661509
-134.117801 459.729257 -798.833402
-387.437911 510.250762 -959.494911
1153.730670
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1386046512
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3114411506 (a.u.)
total exchange computation time: 2.7470369339 s
678.03384560
-1081.91973364
89.81144355
-390.33553713
-174.66063665
77.23455437
551.60419304
0.00000000
-931.38205942
-10.88073202 -4.23297609 6.73315619
-0.00027641 0.00000930 -0.00009009
-0.01055547 0.00936912 -0.02473915
-14.14749487 3.49783618 9.43652099
0.00025934 0.00014363 -0.00021323
0.00875033 0.03323646 0.00227656
-15.98174514 1.31220430 3.48441393
-0.00009263 0.00006953 -0.00019269
0.00528081 -0.02011018 0.02694307
2.44334465 -19.80585676 12.81640835
0.00027279 0.00000599 0.00013247
0.01257361 -0.00686671 0.01645814
9.60076473 20.40371596 0.93120834
0.00025835 -0.00015162 0.00032819
-0.01422125 0.00063512 -0.00007205
-11.89211394 12.62502721 15.08563076
-0.00050613 -0.00016533 0.00013641
0.02966148 0.01009594 0.02775353
-6.32265135 1.51502132 -12.19313395
0.00019672 -0.00005312 -0.00041214
-0.00132764 -0.00415260 0.00301816
-7.39884125 7.82055694 -5.90601561
-0.00003327 -0.00003317 -0.00005153
0.00241195 -0.02573526 0.00774456
-7.65234261 -4.41644753 17.84116058
-0.00020961 0.00027444 -0.00010459
-0.01268603 -0.01640762 0.02867239
-23.45578483 -4.93135326 -22.53737049
-0.00018856 -0.00046241 -0.00021025
-0.00060444 -0.00779680 0.02686661
6.63614545 12.78579807 6.05668480
0.00000814 -0.00003377 -0.00008945
0.01849720 -0.02247276 0.01514695
24.68067125 30.38122815 -2.86776076
0.00007257 0.00030740 -0.00013120
-0.00702267 -0.00070910 0.02476652
7.91727422 -1.26709469 -14.41200876
0.00004153 0.00019665 -0.00035493
0.00012329 0.00619366 -0.03731997
-7.20021481 -0.91732282 14.36681624
-0.00042891 -0.00021344 0.00022715
-0.01617502 -0.00289762 0.00366627
-1.93449119 -26.23853867 11.33244172
0.00024518 -0.00001162 -0.00006498
0.02096216 0.01780968 -0.04051446
-14.20317886 -4.62728777 -7.06164458
0.00029930 0.00020503 0.00013428
0.00403959 0.01794365 0.00704325
-20.00210256 -12.52186178 -17.85347027
0.00015728 -0.00012164 0.00033694
-0.00554698 0.02884056 0.02379370
22.68094267 3.62545207 3.05398947
0.00024104 0.00009582 -0.00015747
-0.00538995 -0.01570908 0.00410466
17.78085163 -10.08735033 -14.35676558
-0.00018192 -0.00026510 0.00001111
-0.00077717 -0.00775325 0.03129411
-2.15430355 1.90298485 -7.13423022
0.00023174 -0.00019181 0.00031763
0.01644699 0.00937703 -0.01526543
-4.13034293 -3.03736196 -15.62429581
-0.00028456 -0.00007342 0.00000258
0.00175867 0.00747108 -0.00250230
13.37629967 17.20862709 -20.18137196
-0.00016118 0.00023360 0.00025382
0.01591291 0.01860791 -0.00491731
-16.40876408 16.06341494 -12.06549232
0.00044068 0.00000429 -0.00006628
0.00928146 -0.02826246 -0.04830127
1.55679163 14.30644057 7.54408372
0.00066124 0.00037713 -0.00008707
-0.01727253 0.04947782 0.01573474
-5.22314076 -9.58543064 2.08164360
-0.00037372 -0.00000609 0.00017887
0.01586538 -0.02776934 0.02133148
3.08442191 -6.33965989 2.50407069
-0.00009308 -0.00003258 0.00020629
0.00539458 0.00603566 0.00110563
10.85688785 4.85530671 4.57111596
-0.00006681 0.00015863 -0.00038299
-0.00924025 0.00584136 0.00752181
-8.52550595 -9.72587090 -2.64540930
0.00004361 0.00004815 -0.00027223
-0.02556174 0.02312502 0.00461682
3.15186472 -15.99331163 -13.24966800
0.00008074 -0.00000609 0.00015398
-0.02534305 0.00554240 0.03166886
4.87109073 -8.43652170 -5.69604670
-0.00004969 0.00006947 0.00026515
-0.03454634 -0.04376038 0.03780376
18.56713169 0.79848744 24.79872384
-0.00001782 0.00045413 -0.00022995
-0.01997929 0.00320611 0.00082407
-8.19802212 3.14388785 1.05674344
-0.00049646 0.00000002 0.00019243
0.02208580 -0.00066611 -0.01781554
-7.86461737 14.21086494 -10.58361029
0.00020711 0.00001075 0.00036413
-0.03287886 -0.01144738 -0.03020264
1.69192413 11.37524682 -8.98399217
0.00005167 0.00011754 0.00024440
-0.01823566 -0.02741791 -0.03925779
-11.84649955 9.98341493 -13.82246057
0.00019735 0.00021235 0.00001320
0.02163777 -0.02114801 0.00604104
7.23099606 4.25070159 14.70729152
-0.00041519 0.00051122 -0.00006850
-0.00794215 0.01827413 -0.00428741
-14.61057992 9.37869438 -9.31593931
-0.00027787 -0.00037049 0.00046057
-0.04058621 -0.02770272 -0.02154004
8.53196640 8.35158456 -3.09305376
0.00010746 -0.00018365 0.00004308
-0.04169636 -0.01120177 -0.02478231
13.68372870 -20.38453589 -25.72726225
0.00008704 -0.00008383 -0.00005626
-0.01532459 -0.01061284 -0.04527756
6.35083350 6.49636096 2.69179982
-0.00010849 0.00001826 -0.00022678
-0.03061843 -0.03528748 0.00625772
19.21889358 -5.76938241 -6.50181950
-0.00007647 -0.00005215 -0.00032012
0.00326569 -0.00827299 0.02492486
-1.73900020 0.08397897 -2.49655232
0.00020767 -0.00018447 -0.00039111
0.02359153 -0.00775090 -0.00334183
2.40316067 -1.92085404 -12.36937657
-0.00029608 0.00009896 0.00043143
-0.01115739 0.03379191 -0.00471289
20.53853464 9.36101866 -5.24452075
-0.00051461 0.00003966 -0.00009698
0.02060239 -0.03930532 -0.01526757
-7.46873381 6.47697231 9.41958437
-0.00000591 -0.00006355 0.00000144
-0.00747834 -0.00700962 0.05284394
-2.68408678 -14.60859021 11.58304889
-0.00001373 0.00000809 -0.00027683
-0.00467593 -0.00032804 0.01155376
8.14358349 0.42603316 -4.97509385
-0.00004689 -0.00017841 0.00003943
-0.00206198 0.00344792 0.03386707
-0.02477297 -10.03686717 0.50185572
-0.00009788 -0.00018130 -0.00015235
-0.00220001 -0.02694043 -0.00079147
-20.07839293 -1.44986432 4.76953982
-0.00011529 0.00016089 0.00003281
-0.00873230 0.01638788 -0.03461792
-4.69486865 7.60636817 -23.49945517
0.00000798 -0.00026949 -0.00015420
-0.00186743 0.00646250 0.01414113
2.56962318 2.37916286 -1.38833162
0.00006357 -0.00023396 0.00045036
0.01069448 0.00900974 0.00372664
15.51488599 7.55487341 4.68497382
0.00007262 -0.00005293 -0.00010254
0.01494713 0.03193182 -0.00037007
-9.35695239 -4.83458513 7.41305486
0.00042446 0.00036856 0.00024474
0.02080507 -0.01173953 0.01259544
-10.51423219 -3.74170837 4.96736331
0.00054096 0.00025507 0.00053721
0.00210874 -0.01071254 0.01319964
-12.91263633 4.73734998 8.84540051
0.00010036 -0.00060131 -0.00073893
-0.00934738 0.00266623 0.00578853
-13.43195324 2.04620994 8.66941037
-0.00027866 0.00018961 0.00001305
0.00350675 -0.02414178 -0.00960540
-14.81735992 1.36217462 4.98267017
-0.00050502 0.00138629 0.00113375
-0.01955257 -0.00197532 -0.02171298
-17.22268976 -0.07408473 4.02795997
0.00060904 0.00077736 -0.00000337
0.01466459 0.02449406 -0.00813101
2.72776369 -21.23189712 11.65143007
0.00131357 -0.00061301 -0.00025388
-0.00206608 0.00461132 0.00413219
3.53870257 -20.13594835 14.29824291
-0.00055550 0.00057801 -0.00066873
-0.00933455 0.00730061 -0.02046647
8.59642691 18.84063611 0.91973623
-0.00055783 0.00065140 0.00112854
0.00789823 0.00497590 -0.00356818
8.55668970 21.62271811 1.87550845
-0.00087712 -0.00051458 0.00051393
0.00133985 -0.00260746 -0.00396115
-10.65713539 12.14219460 16.43247116
-0.00073510 -0.00089560 0.00003734
-0.01414837 0.00192414 -0.01612778
-12.55329583 14.19129788 15.79109231
0.00025790 -0.00060141 0.00002543
-0.00215481 0.00114942 -0.00803749
-5.58983896 0.19543724 -13.24922738
0.00110514 -0.00034181 -0.00060111
-0.00497753 0.00412480 0.00953653
-6.76385675 0.78892630 -10.49490745
-0.00057117 -0.00040286 0.00074306
0.00614819 -0.00170426 -0.01512346
-6.74534709 6.39521302 -4.86551479
-0.00027857 -0.00016723 -0.00030658
-0.00852188 0.02092354 -0.01444883
-9.17863208 7.77428986 -5.48820024
0.00056409 0.00036984 0.00020296
0.00043340 0.00122535 -0.00316575
-8.66711961 -3.41177502 19.04206310
0.00085262 -0.00029238 -0.00012236
0.01398828 -0.00765626 -0.01548857
-7.71709231 -6.12980848 18.59366877
-0.00016680 0.00080201 -0.00028061
-0.00232981 0.01243097 -0.00702530
-23.19383336 -3.35348353 -23.34031166
0.00010687 0.00028324 0.00036484
-0.00040132 0.02066046 -0.02183559
-23.23542018 -4.42591727 -20.77185724
0.00082867 -0.00050349 -0.00016630
-0.00560472 -0.01057390 -0.01113569
6.70067016 13.26995463 4.31805613
-0.00063399 0.00013705 0.00039568
0.00555022 0.00405839 -0.01340503
8.12589175 11.62026378 6.37631273
0.00015856 0.00024826 0.00061950
-0.02126197 0.01802630 -0.00159584
24.59312959 28.70544017 -2.08536846
0.00056847 -0.00037952 -0.00032014
0.00253766 0.00976164 -0.00613090
23.83831920 31.55052394 -1.64163528
0.00069207 -0.00013496 -0.00053269
0.00952753 -0.00777321 -0.00985581
9.44890911 -2.32966089 -14.51205745
-0.00006277 0.00046627 -0.00145795
-0.00129396 -0.00449246 0.00296990
7.66523829 -0.79488990 -12.75117730
0.00091989 -0.00081900 0.00031370
-0.00937074 0.00091017 0.04233331
-7.35959840 -0.18000150 16.11918113
0.00012633 0.00084023 -0.00026067
-0.00137193 -0.01638860 -0.02691112
-8.40425652 -2.34974330 14.11309627
0.00009053 0.00090263 -0.00115020
0.02169543 0.02603221 0.01671123
-2.52075112 -26.69495896 12.98530577
-0.00034705 0.00025712 0.00009256
-0.01650824 -0.00811143 0.01447112
-3.13432357 -25.91495400 9.95608816
0.00030009 0.00013613 0.00050563
0.00057153 -0.00599104 0.01680734
-14.03785417 -2.88599597 -6.36584971
-0.00121324 0.00011178 0.00036388
-0.00486155 -0.01268967 -0.00573321
-14.99776676 -4.49163655 -8.69743761
0.00018137 -0.00016701 0.00009894
0.00145486 -0.00158225 -0.00638585
-18.97237974 -11.41994889 -16.70678618
-0.00190254 0.00034067 -0.00060858
-0.00549276 -0.01572115 -0.01995827
-18.88575422 -13.84760197 -18.32735077
0.00013224 0.00025942 -0.00033148
0.02137909 -0.01023821 -0.00337743
23.34734138 3.32300678 1.32594391
0.00104551 -0.00140049 -0.00004906
0.00451003 0.01301877 0.00916455
22.99404133 5.24441406 3.80392156
-0.00079271 -0.00040503 0.00091267
0.00400429 0.00304109 -0.00623928
16.30814945 -9.73675412 -13.26664862
0.00060737 -0.00102142 -0.00091721
0.00853809 0.00262045 -0.01101622
17.39746890 -9.63431416 -16.04305108
-0.00094769 -0.00103493 0.00056437
-0.00900850 0.00882412 -0.01950493
-0.55559128 2.50155392 -7.96304243
0.00003387 -0.00061861 -0.00056236
-0.01358520 -0.01172126 0.00972481
-2.47054083 0.32974542 -8.01708556
0.00116050 -0.00040000 0.00143581
-0.00553305 0.00220405 0.00188644
-5.69561771 -3.15651820 -16.55293438
0.00064698 -0.00068172 -0.00002361
0.00116843 -0.00334774 -0.00062288
-3.15181343 -1.89551708 -16.69789446
-0.00070313 0.00056637 0.00009374
-0.00544589 -0.00094613 0.00190571
12.84603191 18.73819246 -21.09574636
0.00043738 0.00038522 0.00104853
0.00169304 -0.01053771 0.00868755
11.88764264 16.18852548 -20.26582726
0.00009392 -0.00066296 0.00081957
-0.01416926 -0.01110179 -0.00422368
-15.28991348 15.43240477 -13.58779215
0.00028507 0.00018273 -0.00085262
-0.02608297 0.01900063 0.04231739
-17.93723573 15.06805079 -12.58156689
0.00068556 0.00054838 0.00061641
0.01600583 0.00823402 0.01530643
2.66537184 15.19850822 6.38029749
0.00065110 -0.00022380 -0.00081401
0.00039702 -0.01337700 -0.01088506
0.59883341 15.82464626 8.21815713
-0.00007314 0.00062981 0.00061662
0.00771590 -0.03644507 -0.00708000
-6.32364622 -8.43587734 1.28008237
0.00130855 -0.00068527 0.00010222
-0.00532410 0.02177883 -0.01007222
-3.45099865 -9.25708320 1.65952398
-0.00000987 -0.00058480 0.00008193
-0.00458583 0.00045049 -0.00607230
2.54972933 -4.62850383 2.76497904
-0.00008636 -0.00227291 -0.00019763
-0.00662926 0.00988403 0.01053536
4.47315212 -6.05080984 1.35702339
-0.00003978 -0.00078105 -0.00017840
0.01034190 -0.01288208 -0.00345429
9.27682498 5.81428794 4.31994432
0.00035705 -0.00071191 0.00025294
0.01180094 -0.00568752 -0.00562956
12.21605495 6.09607715 4.72024461
-0.00024686 0.00058832 0.00011635
0.00103767 -0.00011107 0.00081870
-7.70093467 -11.17517568 -2.06760242
0.00033505 0.00107020 -0.00083571
0.03126969 -0.03399559 -0.00247212
-9.78588949 -9.60395663 -1.31436841
0.00044954 0.00051275 -0.00035655
-0.00865015 0.01367804 -0.00697439
4.59712827 -16.68845675 -14.14643639
0.00025839 0.00036355 -0.00146010
-0.00529084 -0.00576960 0.02597690
2.81357455 -16.63818362 -11.43382549
0.00099491 -0.00021401 0.00061237
0.02611335 0.00215743 -0.05690442
5.84984965 -7.02826214 -6.15238402
-0.00040662 0.00000848 0.00016759
0.02088116 0.03138086 0.00515028
4.86783021 -8.70785706 -3.81591095
0.00014926 0.00091558 0.00082672
0.00759966 0.01460410 -0.03763974
16.88170083 1.52327766 24.42563712
-0.00048595 -0.00073409 0.00039183
0.00954757 -0.00565593 0.00262437
19.56592821 2.27381569 25.25549292
0.00102792 -0.00002992 -0.00100977
0.00550267 -0.00168774 -0.00341068
-9.61276861 3.05144288 2.15501692
-0.00070712 0.00054336 0.00060949
-0.01913703 0.00918783 0.01848513
-7.79070080 4.91795528 0.84420622
0.00041225 -0.00054849 -0.00041034
0.00262610 -0.00304553 0.00618099
-6.62058132 14.67727155 -9.45053116
0.00022139 -0.00094660 0.00031829
0.03190308 0.01252694 0.03131201
-9.37114929 13.84945124 -9.57083305
0.00113099 0.00017628 -0.00028762
0.00338577 -0.00281162 -0.00221516
0.06497567 10.96298906 -8.27542345
0.00006458 -0.00041379 -0.00037245
0.00309363 0.00136851 0.01026235
2.41728119 12.62161476 -7.96044128
0.00040000 -0.00031226 -0.00051352
0.01839719 0.02367285 0.02643628
-10.38431522 8.81411645 -13.66149662
-0.00022129 0.00054388 0.00010212
-0.01082903 0.01447820 -0.00905805
-12.57009793 9.81160435 -12.13728769
0.00088272 0.00021655 -0.00137246
-0.01150798 0.00504548 0.00149997
7.12775588 6.04620877 15.08591178
0.00006814 -0.00077983 0.00113253
0.00478351 -0.00353927 -0.00524454
7.30690578 4.18735178 12.86056304
-0.00066174 -0.00069705 -0.00017516
0.00490627 -0.00540129 0.00287597
-14.12051576 10.71775894 -8.24446085
0.00030842 0.00032241 -0.00061544
0.01813904 0.02434845 0.02035722
-16.42741808 9.69383381 -9.57722071
0.00081027 0.00077007 -0.00051486
0.01468819 -0.00451855 -0.00192161
8.75751179 9.77473491 -2.04034665
-0.00042211 -0.00004140 -0.00018712
0.00498181 0.02119941 0.01384065
6.82365228 8.73857427 -3.86119388
-0.00045836 -0.00069343 -0.00237964
0.03439904 -0.00829605 0.01548893
12.09335009 -20.47453975 -26.70538478
0.00040348 0.00031176 -0.00002717
0.01394655 0.00350073 0.01622749
13.32378335 -19.68687078 -24.08958229
0.00072790 -0.00015445 -0.00023175
-0.00000852 -0.00020202 0.01744296
5.60869884 4.71541619 2.67995193
0.00028482 0.00125288 0.00027734
0.02010033 0.02376920 0.00766842
6.31416929 6.87914559 0.93043653
-0.00024355 0.00128360 -0.00013721
0.00818116 0.00885127 -0.01335139
20.55101959 -6.63621093 -5.52591358
-0.00038549 0.00057192 -0.00082417
-0.01939195 0.01130009 -0.00916162
17.94402733 -5.09859395 -5.30716536
-0.00086240 -0.00036876 0.00023606
0.01169483 -0.00358577 -0.00843085
-3.08022239 0.07870681 -1.29211881
-0.00026098 0.00005029 0.00078069
-0.01027104 0.01178981 0.00318694
-2.05189682 0.96092327 -4.09481866
-0.00092881 0.00055331 0.00018623
-0.01554377 -0.00330165 -0.00410762
3.47234820 -3.30707800 -12.10150229
0.00018324 -0.00046152 0.00008916
0.03458023 -0.02866165 0.00234311
0.87046515 -2.38620140 -11.48975979
0.00050932 0.00060514 -0.00035535
-0.01789894 -0.00746470 0.00154855
20.26691249 8.19178035 -6.69701765
-0.00098922 0.00059962 0.00091243
-0.00569723 0.01843132 0.01512325
22.20852932 8.61509431 -4.58010038
-0.00076022 -0.00059680 -0.00051687
-0.02382455 0.01938165 -0.00836501
-7.58910032 4.69228199 8.94090430
-0.00007441 0.00013113 -0.00024511
0.00501503 -0.00035534 0.00328169
-7.30779485 6.30043159 11.34152503
-0.00025774 -0.00033090 0.00027267
-0.00904054 0.00554316 -0.04650829
-3.04019830 -16.40154334 11.85208596
0.00037634 -0.00019794 -0.00074067
-0.00114201 0.01130410 -0.00464869
-4.27934431 -13.70564703 11.82093686
0.00087462 0.00072401 -0.00022685
0.01058331 -0.01106175 -0.00250926
8.17478100 0.20775881 -3.08116836
0.00044145 0.00067697 -0.00052844
-0.00088078 0.00928275 -0.03856666
7.63081406 2.22726047 -5.57504843
0.00022034 0.00007797 0.00016030
0.01083077 -0.03033516 0.00882575
1.18057094 -10.61084576 1.81865764
0.00061221 -0.00048337 -0.00079707
-0.01117497 0.01037909 -0.00417022
0.32719635 -8.33135487 0.00572496
-0.00073476 0.00001952 0.00058224
0.00670071 0.01020541 0.00298599
-19.86905028 -1.43261341 6.57573655
-0.00024117 0.00038422 0.00048581
-0.00280146 0.00034871 0.02080110
-20.86367076 0.17968845 4.24539225
-0.00107459 0.00088542 -0.00017728
0.00644431 -0.01396301 0.01149372
-3.67465881 8.12429489 -24.94360594
0.00055926 0.00185580 -0.00066659
0.00137014 0.00495707 -0.00345571
-4.44188571 8.96964874 -22.28429612
0.00038501 0.00119762 -0.00079446
0.00044722 -0.00786456 -0.00495431
3.64139441 0.91068781 -0.96893080
0.00037768 0.00058587 0.00035625
-0.02371176 0.01475891 -0.01268601
0.91974833 1.98476627 -2.19872077
0.00007200 -0.00094011 -0.00013918
0.01495178 -0.02323088 0.01270751
16.24726197 7.55723673 6.42645044
-0.00052660 -0.00057230 0.00019631
-0.01447866 0.00398439 -0.02360445
15.84436668 9.29253777 3.96277617
-0.00038310 -0.00140027 -0.00003339
-0.00440537 -0.03223544 0.01513721
-0.35239976 -11.81757834 -13.38286625
-0.00001981 0.00001224 0.00024689
0.00647850 -0.00269608 -0.00004607
-13.93214508 14.53948851 22.11780967
-0.00001542 -0.00009863 0.00014313
0.00121383 -0.00219279 0.00153821
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02723928
0.35482014
472.78004567
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1386046512
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3275091758 (a.u.)
total exchange computation time: 2.6599512100 s
-153.9012324098
-931.38212272
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1386046512
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3278798146 (a.u.)
total exchange computation time: 2.6641769409 s
-153.8989059897
Anderson extrapolation: theta=1.3455856888 (1.3455856888)
-931.38234126
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1386046512
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3283114235 (a.u.)
total exchange computation time: 2.6587889194 s
-153.8962921504
Anderson extrapolation: theta=0.0502164936 (0.0502164936)
-931.38247038
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1386046512
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3282735268 (a.u.)
total exchange computation time: 2.6578221321 s
-153.8966434524
Anderson extrapolation: theta=1.8971981365 (1.8971981365)
-931.38247494
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1386046512
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3281746345 (a.u.)
total exchange computation time: 2.6604139805 s
-153.8974502509
Anderson extrapolation: theta=0.2096216132 (0.2096216132)
-931.38247959
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1386046512
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3281409080 (a.u.)
total exchange computation time: 2.6588389874 s
-153.8976518017
Anderson extrapolation: theta=1.9065308540 (1.9065308540)
-931.38248044
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1386046512
ExchangeOperator: bisection time: 1.152 s
total exchange = -52.3280857627 (a.u.)
total exchange computation time: 2.6592628956 s
-153.8979079708
Anderson extrapolation: theta=0.2858764270 (0.2858764270)
-931.38248152
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1386046512
ExchangeOperator: bisection time: 1.151 s
total exchange = -52.3280804708 (a.u.)
total exchange computation time: 2.6582901478 s
-153.8978567808
Anderson extrapolation: theta=1.3299685578 (1.3299685578)
-931.38248179
-253.253892 50.500208 -160.675723
-134.082033 459.744495 -798.877764
-387.335925 510.244703 -959.553487
1153.742462
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1386046512
ExchangeOperator: bisection time: 1.153 s
total exchange = -52.3280815144 (a.u.)
total exchange computation time: 2.6803500652 s
678.29954052
-1082.46974146
89.78210271
-389.96163978
-174.70466247
77.53538545
551.60419304
0.00000000
-931.38248199
-10.88491893 -4.23280051 6.73170940
-0.00028042 0.00001332 -0.00010165
-0.00504164 0.00627038 -0.02022177
-14.14357100 3.50011889 9.43333128
0.00026312 0.00016062 -0.00021162
0.00594249 0.03282126 0.00399173
-15.98311423 1.31316967 3.48162744
-0.00008847 0.00006017 -0.00017811
0.01088652 -0.01628115 0.02976158
2.44748496 -19.80579338 12.81845891
0.00027824 0.00000170 0.00013831
0.00862644 -0.00980270 0.00623230
9.60458519 20.40144407 0.93613091
0.00025028 -0.00015045 0.00032879
-0.01716955 0.00394293 0.00240520
-11.89959150 12.62258617 15.08778402
-0.00049047 -0.00016123 0.00015015
0.03125250 0.00584781 0.02565465
-6.31970572 1.51420851 -12.19930444
0.00019603 -0.00005662 -0.00040968
-0.00134774 -0.00943968 0.00656570
-7.39933094 7.81996006 -5.90675863
-0.00003114 -0.00004623 -0.00004794
0.00586758 -0.02504067 0.00620802
-7.65553577 -4.41239418 17.83970234
-0.00021517 0.00026588 -0.00009112
-0.00890128 -0.01690100 0.02371083
-23.45861562 -4.93831944 -22.54042055
-0.00018860 -0.00046526 -0.00019667
0.00045893 -0.00329658 0.02591619
6.63633890 12.78520481 6.05540155
0.00001757 -0.00004540 -0.00008058
0.01818526 -0.02274469 0.01931570
24.68173267 30.38583634 -2.86963323
0.00006950 0.00030537 -0.00011911
-0.00490071 -0.00715548 0.02224058
7.91789769 -1.26412098 -14.41747666
0.00004108 0.00020041 -0.00037330
-0.00188719 0.00840537 -0.03412866
-7.20671079 -0.92053557 14.37023770
-0.00043578 -0.00021337 0.00022849
-0.01054224 0.00315352 0.00154413
-1.93073260 -26.23864432 11.33131076
0.00025607 -0.00000284 -0.00008462
0.02137586 0.01632646 -0.03587470
-14.19867374 -4.62414304 -7.05960319
0.00030116 0.00021404 0.00013768
0.00320083 0.01706811 0.00615890
-19.99976472 -12.52357515 -17.84832444
0.00015280 -0.00010794 0.00034764
-0.01189148 0.02445377 0.01782550
22.68453752 3.62682875 3.05164325
0.00023812 0.00008692 -0.00015575
-0.00596341 -0.01889447 0.00258541
17.77811979 -10.09135668 -14.35647816
-0.00018047 -0.00026965 0.00002684
0.00644501 -0.00996819 0.02986174
-2.15076405 1.90014391 -7.12952459
0.00024046 -0.00018622 0.00030997
0.01746723 0.01235739 -0.01452798
-4.13460454 -3.03843446 -15.62426674
-0.00028229 -0.00006923 0.00000184
0.00707078 0.00881315 -0.00036343
13.37394336 17.21220291 -20.17758370
-0.00015294 0.00024208 0.00025181
0.01612513 0.01434686 -0.00287507
-16.40211803 16.06337034 -12.06667290
0.00044643 -0.00000962 -0.00009104
0.01304889 -0.02585234 -0.04796907
1.56664364 14.31228831 7.54283840
0.00065190 0.00040308 -0.00007869
-0.01906499 0.05144970 0.01682488
-5.22868530 -9.58562910 2.08440900
-0.00036302 -0.00002231 0.00019111
0.02573594 -0.03529257 0.02625330
3.08304648 -6.34012528 2.50716930
-0.00008863 -0.00003393 0.00020596
0.01191146 -0.01127217 -0.00239098
10.85584999 4.85770871 4.56540011
-0.00007006 0.00016112 -0.00037878
-0.00336676 0.00382370 0.00885699
-8.52495040 -9.72505950 -2.64947495
0.00002992 0.00006167 -0.00027096
-0.02765566 0.02945800 0.00034175
3.15297804 -15.99338158 -13.24723608
0.00006878 -0.00000378 0.00016970
-0.02117154 0.00342036 0.02944607
4.87021211 -8.43564845 -5.69192369
-0.00006753 0.00004683 0.00028526
-0.03480979 -0.04428641 0.04039743
18.56678729 0.80531172 24.79527770
-0.00002780 0.00045515 -0.00022950
-0.01880520 0.00078176 0.00092917
-8.20538387 3.14388551 1.05956123
-0.00048584 -0.00000106 0.00018377
0.01920402 -0.00353110 -0.01586813
-7.86163754 14.21098204 -10.57826488
0.00019152 0.00000523 0.00034732
-0.02774999 -0.01001748 -0.03517335
1.69262877 11.37690414 -8.98047767
0.00004202 0.00010251 0.00022319
-0.01926404 -0.03102160 -0.04319973
-11.84345578 9.98651865 -13.82223931
0.00020894 0.00020223 0.00001379
0.02342429 -0.01821657 -0.00374681
7.22473760 4.25844044 14.70624749
-0.00041908 0.00051810 -0.00007095
-0.00719029 0.00845730 -0.00524892
-14.61490455 9.37303025 -9.30911377
-0.00029741 -0.00038461 0.00044979
-0.03538616 -0.02721990 -0.02041587
8.53341748 8.34878657 -3.09250312
0.00008464 -0.00018947 0.00002931
-0.04706435 -0.01143806 -0.02875847
13.68497523 -20.38583426 -25.72828078
0.00007987 -0.00008945 -0.00007979
-0.01258462 -0.01125081 -0.04621625
6.34908810 6.49649875 2.68842231
-0.00012349 0.00000202 -0.00022383
-0.02771921 -0.02787924 0.00519258
19.21775915 -5.77019657 -6.50652518
-0.00007672 -0.00005532 -0.00030726
-0.00425878 -0.00404055 0.02508556
-1.73579422 0.08118208 -2.50243180
0.00021785 -0.00018833 -0.00039131
0.01600181 -0.00726943 0.00253270
2.39867636 -1.91923923 -12.36292327
-0.00029876 0.00011562 0.00042822
0.00073853 0.03097476 -0.00779213
20.53089498 9.36146201 -5.24603428
-0.00050382 0.00002047 -0.00010350
0.02135490 -0.03532662 -0.01009168
-7.46885130 6.47599197 9.41980975
-0.00000979 -0.00006697 0.00002884
-0.00759611 -0.00629091 0.05370260
-2.68431077 -14.60847015 11.57894107
-0.00001518 0.00000763 -0.00027107
-0.00094499 -0.00146909 0.01083646
8.14287218 0.42337036 -4.97437183
-0.00004802 -0.00017612 0.00005577
-0.00231520 0.00543865 0.02968973
-0.02624967 -10.03969060 0.49956747
-0.00009893 -0.00019537 -0.00015259
-0.00189476 -0.02778649 -0.00013741
-20.08015597 -1.44738779 4.76989842
-0.00012042 0.00017060 0.00001559
-0.01120998 0.02138846 -0.03234155
-4.69475620 7.60235076 -23.50171360
0.00000870 -0.00026414 -0.00014795
0.00468204 0.01432706 0.01014959
2.57061799 2.37568821 -1.38156182
0.00006803 -0.00022877 0.00045192
0.00663433 0.01116766 0.00234088
15.51603297 7.55420261 4.68343432
0.00007977 -0.00003857 -0.00010195
0.01284055 0.02392823 0.00267049
-9.34994797 -4.82941647 7.41711188
0.00049851 0.00032502 0.00029250
0.01544360 -0.00957570 0.01078669
-10.50605317 -3.73821057 4.97582591
0.00054953 0.00021274 0.00058508
0.00208861 -0.01000714 0.01023470
-12.91141744 4.72841210 8.83449393
0.00006655 -0.00058505 -0.00071658
-0.00719807 0.00529041 0.00514988
-13.43602575 2.04831425 8.66931176
-0.00026303 0.00008585 -0.00002784
0.00414587 -0.02664849 -0.01040986
-14.82553443 1.38290842 4.99901110
-0.00058953 0.00137656 0.00103689
-0.02181255 -0.00278924 -0.02570301
-17.21310473 -0.06167378 4.02766033
0.00066223 0.00087044 -0.00003433
0.01137085 0.02107049 -0.00702786
2.74740398 -21.24095089 11.64774854
0.00130222 -0.00058572 -0.00023067
-0.00349060 0.00874325 0.00722810
3.53008396 -20.12705450 14.28758486
-0.00058344 0.00060502 -0.00073784
-0.00434108 0.00591969 -0.01336464
8.58830150 18.85055960 0.93655494
-0.00052502 0.00066693 0.00111218
0.00816015 0.00262537 -0.00443863
8.54357390 21.61491946 1.88309606
-0.00086615 -0.00052600 0.00049486
0.00403281 -0.00297884 -0.00537390
-10.66859539 12.12881959 16.43253709
-0.00079240 -0.00088742 -0.00002815
-0.01390167 0.00207978 -0.01592968
-12.54949332 14.18231201 15.79122746
0.00024524 -0.00058802 -0.00000335
-0.00404611 0.00540368 -0.00604803
-5.57341434 0.19043646 -13.25795173
0.00108053 -0.00031886 -0.00055613
-0.00707219 0.00710790 0.01247939
-6.77223586 0.78283115 -10.48422495
-0.00054173 -0.00040563 0.00066895
0.00826243 0.00034822 -0.02115440
-6.74978676 6.39334570 -4.87055623
-0.00031180 -0.00008326 -0.00036412
-0.00774558 0.02018272 -0.01371627
-9.17015749 7.77987502 -5.48525292
0.00055739 0.00037506 0.00019177
-0.00371257 0.00133028 -0.00231061
-8.65390166 -3.41639527 19.03975308
0.00090240 -0.00031548 -0.00017765
0.01037678 -0.00365441 -0.01157792
-7.71966572 -6.11739744 18.58924434
-0.00017635 0.00084513 -0.00030688
-0.00234503 0.00867783 -0.00583418
-23.19224259 -3.34860187 -23.33550819
0.00010384 0.00035972 0.00027834
-0.00108490 0.01677654 -0.02050813
-23.22316181 -4.43379357 -20.77469302
0.00080498 -0.00054780 -0.00021244
-0.00599558 -0.01112072 -0.01145004
6.69133036 13.27213478 4.32358056
-0.00060971 0.00015445 0.00033454
0.00633763 0.00445569 -0.01652580
8.12761863 11.62454007 6.38555639
0.00007143 0.00032219 0.00061062
-0.02138802 0.01816411 -0.00275534
24.60173444 28.70004657 -2.09035836
0.00057856 -0.00033264 -0.00034737
0.00239901 0.01318507 -0.00720189
23.84899213 31.54826130 -1.64992761
0.00072621 -0.00016150 -0.00056654
0.00718581 -0.00521800 -0.00671659
9.44792785 -2.32280449 -14.53383567
-0.00006607 0.00044643 -0.00144532
-0.00032142 -0.00521780 0.00320941
7.67874948 -0.80714699 -12.74517453
0.00088336 -0.00081775 0.00048018
-0.00850891 -0.00029818 0.03915960
-7.35774553 -0.16790029 16.11444647
0.00011847 0.00077159 -0.00036855
-0.00247356 -0.01720943 -0.02589962
-8.40223377 -2.33540619 14.09635531
0.00016978 0.00099900 -0.00108064
0.01709699 0.02114401 0.01734115
-2.52646281 -26.69135068 12.98713755
-0.00041204 0.00022517 0.00014731
-0.01530139 -0.00752956 0.01233195
-3.12980473 -25.91309570 9.96418769
0.00029866 0.00011286 0.00056924
-0.00127014 -0.00539561 0.01432911
-14.05620170 -2.88470812 -6.36056721
-0.00123180 0.00006172 0.00034105
-0.00422423 -0.01181611 -0.00544027
-14.99500156 -4.49419026 -8.69614912
0.00018782 -0.00017357 0.00007391
0.00169827 -0.00162681 -0.00586826
-19.00108616 -11.41532061 -16.71652650
-0.00191386 0.00028472 -0.00067946
-0.00005058 -0.01166545 -0.01473482
-18.88311549 -13.84402444 -18.33242642
0.00022116 0.00021802 -0.00034411
0.02214843 -0.01002509 -0.00280539
23.36316217 3.30239834 1.32548892
0.00106333 -0.00134350 -0.00000864
0.00421596 0.01487907 0.01062096
22.98227342 5.23843184 3.81742039
-0.00077457 -0.00038988 0.00088643
0.00487546 0.00437181 -0.00660451
16.31752168 -9.75199508 -13.28074427
0.00062857 -0.00100769 -0.00095045
0.00183859 0.00409812 -0.00525891
17.38297752 -9.64956771 -16.03518326
-0.00098518 -0.00099722 0.00047560
-0.00934480 0.00963427 -0.02394850
-0.55549954 2.49191560 -7.97117983
-0.00002133 -0.00066484 -0.00052111
-0.01343703 -0.01090746 0.01046973
-2.45330283 0.32381294 -7.99549062
0.00113523 -0.00039845 0.00143988
-0.00683824 -0.00144512 0.00010520
-5.68587725 -3.16684652 -16.55330762
0.00064093 -0.00069681 -0.00003201
-0.00413044 -0.00404315 -0.00348926
-3.16252723 -1.88705052 -16.69642998
-0.00072522 0.00056138 0.00010247
-0.00536847 -0.00149540 0.00236915
12.85264446 18.74364782 -21.07975225
0.00044025 0.00034541 0.00108047
-0.00028756 -0.00894833 0.00694967
11.88861720 16.17824088 -20.25366320
0.00004003 -0.00070290 0.00080132
-0.01220685 -0.00844997 -0.00470729
-15.28643676 15.43572794 -13.59928473
0.00017691 0.00026044 -0.00067754
-0.02686157 0.01904151 0.04338444
-17.92646193 15.07652881 -12.57185166
0.00074447 0.00057713 0.00067582
0.01283229 0.00583938 0.01377553
2.67515047 15.19474138 6.36775380
0.00064980 -0.00027770 -0.00085530
-0.00103110 -0.01300822 -0.00932672
0.59797274 15.83297668 8.22718946
-0.00003565 0.00047558 0.00058280
0.01063624 -0.03905333 -0.00947305
-6.30418117 -8.44548906 1.28130698
0.00126998 -0.00057958 0.00004912
-0.01355575 0.02995690 -0.01592021
-3.45128729 -9.26584139 1.66056692
-0.00003180 -0.00058420 0.00005888
-0.00614564 -0.00015530 -0.00521399
2.54823085 -4.66229454 2.76233750
-0.00012396 -0.00219745 -0.00014987
-0.01177827 0.02705054 0.01284143
4.47287233 -6.06292028 1.35424154
0.00000009 -0.00083333 -0.00019041
0.00917621 -0.01271234 -0.00242260
9.28254234 5.80343508 4.32356595
0.00039512 -0.00072845 0.00022807
0.00683649 -0.00241022 -0.00654354
12.21238386 6.10489848 4.72201495
-0.00024430 0.00058567 0.00011904
0.00021398 -0.00118143 0.00049977
-7.69495076 -11.16016447 -2.08021387
0.00046942 0.00091886 -0.00084022
0.03450543 -0.04008359 0.00026517
-9.77941141 -9.59584630 -1.31993032
0.00041171 0.00056786 -0.00038161
-0.00986847 0.01329812 -0.00529273
4.60084202 -16.68318035 -14.16754181
0.00022805 0.00034402 -0.00134730
-0.00956137 -0.00378769 0.02923505
2.82929841 -16.64132761 -11.42638370
0.00110145 -0.00020479 0.00037767
0.02603940 0.00235606 -0.05798252
5.84439023 -7.02717332 -6.14971240
-0.00031987 0.00013855 0.00018727
0.02158236 0.03228776 0.00448521
4.87030201 -8.69367578 -3.80466349
0.00017986 0.00097454 0.00066883
0.00737878 0.01425282 -0.03964974
16.87470408 1.51209300 24.43159504
-0.00044708 -0.00075353 0.00040264
0.00948231 -0.00386137 0.00266464
19.58151566 2.27331519 25.24024190
0.00104815 -0.00003516 -0.00102390
0.00439764 -0.00087772 -0.00350545
-9.62396188 3.05987481 2.16472572
-0.00077918 0.00058233 0.00067991
-0.01613683 0.00988994 0.01598765
-7.78443659 4.90963464 0.83824057
0.00042318 -0.00055677 -0.00038488
0.00272415 -0.00100653 0.00627888
-6.61628292 14.66345646 -9.44479726
0.00035469 -0.00089499 0.00044806
0.03334951 0.01273317 0.03220912
-9.35408070 13.85200936 -9.57521521
0.00113123 0.00016182 -0.00028834
-0.00326813 -0.00426976 0.00186408
0.06603921 10.95682413 -8.28069579
0.00007660 -0.00040704 -0.00032882
0.00278729 0.00193697 0.01109744
2.42384490 12.61765633 -7.96733398
0.00047748 -0.00020914 -0.00039906
0.01953257 0.02680262 0.02959216
-10.38796645 8.82271829 -13.66024243
-0.00025928 0.00059846 0.00006461
-0.00776427 0.01223995 -0.00930141
-12.55720974 9.81500728 -12.15782868
0.00082604 0.00023574 -0.00134550
-0.01623756 0.00434678 0.01169694
7.12892451 6.03440286 15.10273907
0.00008685 -0.00077923 0.00111068
0.00437871 0.00383322 -0.00545232
7.29713000 4.17673053 12.85802376
-0.00064165 -0.00071492 -0.00016049
0.00492702 -0.00334598 0.00430688
-14.11533366 10.72334117 -8.25306869
0.00038244 0.00042013 -0.00053371
0.01809372 0.02348543 0.01965370
-16.41481399 9.70524632 -9.58500248
0.00085980 0.00075216 -0.00052377
0.00955919 -0.00424668 -0.00244139
8.75133282 9.77476354 -2.04272928
-0.00040379 0.00004630 -0.00013115
0.00398356 0.02172797 0.01355662
6.81783100 8.72791861 -3.89641392
-0.00030473 -0.00072754 -0.00230749
0.04080179 -0.00839942 0.01982955
12.09982959 -20.46975608 -26.70529502
0.00045638 0.00032578 0.00003737
0.01194996 0.00336279 0.01536308
13.33470160 -19.68919372 -24.09252402
0.00072621 -0.00015356 -0.00015640
-0.00082162 0.00063992 0.01943924
5.61358702 4.73493769 2.68434708
0.00036104 0.00133757 0.00030588
0.01721240 0.01769147 0.00629901
6.31076678 6.89867075 0.92796922
-0.00021061 0.00131722 -0.00018765
0.00794127 0.00760669 -0.01133816
20.54464298 -6.62728586 -5.53855691
-0.00045614 0.00061249 -0.00085545
-0.01518844 0.00855730 -0.00614925
17.93144963 -5.10423522 -5.30388282
-0.00080816 -0.00038621 0.00019526
0.01485828 -0.00495419 -0.01154126
-3.08445185 0.07982239 -1.28031078
-0.00028831 0.00009813 0.00078237
-0.00310642 0.01163108 -0.00236745
-2.06630525 0.96912169 -4.09215108
-0.00099041 0.00053941 0.00016992
-0.01460974 -0.00350173 -0.00387869
3.47615644 -3.31487912 -12.10009302
0.00031563 -0.00056780 0.00009663
0.03022412 -0.02336082 0.00130918
0.87755650 -2.37735309 -11.49504253
0.00042217 0.00057013 -0.00034039
-0.02476459 -0.00967320 0.00577467
20.25189954 8.20133948 -6.68286773
-0.00101531 0.00066613 0.00096278
-0.00707168 0.01412421 0.00952327
22.19639597 8.60673629 -4.58810980
-0.00085556 -0.00051678 -0.00054921
-0.02284470 0.01978699 -0.00746325
-7.59006276 4.69423807 8.93732827
-0.00005390 0.00012774 -0.00023195
0.00502426 -0.00130691 0.00315820
-7.31193804 6.29563796 11.34419000
-0.00029416 -0.00030778 0.00008093
-0.00878353 0.00577607 -0.04735390
-3.03458818 -16.40416612 11.84083353
0.00037006 -0.00015012 -0.00075938
-0.00193155 0.01210544 -0.00451406
-4.26590077 -13.69512581 11.81745728
0.00091137 0.00067954 -0.00023610
0.00740943 -0.01070544 -0.00202083
8.18137582 0.21819780 -3.09027673
0.00043791 0.00071266 -0.00067716
-0.00085592 0.00818587 -0.03423391
7.63445106 2.22750048 -5.57237341
0.00026435 -0.00004680 0.00019524
0.01071068 -0.03074025 0.00827380
1.18941171 -10.61777823 1.80657376
0.00056488 -0.00044042 -0.00081419
-0.01199748 0.01064508 -0.00420857
0.31638032 -8.33074927 0.01455002
-0.00070683 0.00006279 0.00059338
0.00696866 0.01097143 0.00246623
-19.87275364 -1.42683937 6.58366113
-0.00025363 0.00038583 0.00056253
-0.00330107 0.00043626 0.01675471
-20.87959211 0.19254188 4.24308521
-0.00104206 0.00081772 -0.00012654
0.00947731 -0.01917514 0.01334353
-3.66622794 8.15228377 -24.95371069
0.00055473 0.00186782 -0.00066944
-0.00358778 0.00092870 0.00206213
-4.43609682 8.98737209 -22.29636478
0.00038356 0.00115711 -0.00081805
-0.00115596 -0.01196844 -0.00659367
3.64633297 0.91992817 -0.96397579
0.00028557 0.00063984 0.00030597
-0.02137471 0.01165731 -0.01192826
0.92128653 1.96995281 -2.20041906
0.00013604 -0.00103363 -0.00008547
0.01639541 -0.02254824 0.01358123
16.23891933 7.54877431 6.42867182
-0.00058507 -0.00055495 0.00009955
-0.01414229 0.00451125 -0.02376174
15.83848521 9.27054589 3.96273924
-0.00039771 -0.00151693 0.00002318
-0.00274715 -0.02486835 0.01255336
-0.35267958 -11.81740203 -13.37916299
-0.00001746 0.00001129 0.00024687
0.00669871 -0.00258078 -0.00008941
-13.93237423 14.53800520 22.11995927
-0.00001516 -0.00009916 0.00014348
0.00099334 -0.00234660 0.00152394
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02723889
0.35524309
473.34361186
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1382585181
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3460179523 (a.u.)
total exchange computation time: 2.7625410557 s
-153.9722662084
-931.38046014
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1382585181
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3462047977 (a.u.)
total exchange computation time: 2.7640709877 s
-153.9713653924
Anderson extrapolation: theta=1.3521046583 (1.3521046583)
-931.38067700
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1382585181
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3463852769 (a.u.)
total exchange computation time: 2.7643630505 s
-153.9706934903
Anderson extrapolation: theta=0.0516602031 (0.0516602031)
-931.38080569
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1382585181
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3463329071 (a.u.)
total exchange computation time: 2.7622950077 s
-153.9711554237
Anderson extrapolation: theta=1.9105323315 (1.9105323315)
-931.38081035
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1382585181
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3462082509 (a.u.)
total exchange computation time: 2.7654361725 s
-153.9721659672
Anderson extrapolation: theta=0.2118693437 (0.2118693437)
-931.38081516
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1382585181
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3461716789 (a.u.)
total exchange computation time: 2.7644920349 s
-153.9723960313
Anderson extrapolation: theta=1.8924134834 (1.8924134834)
-931.38081607
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1382585181
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3461145019 (a.u.)
total exchange computation time: 2.7639629841 s
-153.9726837931
Anderson extrapolation: theta=0.2865330357 (0.2865330357)
-931.38081721
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1382585181
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3461109730 (a.u.)
total exchange computation time: 2.7629909515 s
-153.9726250564
Anderson extrapolation: theta=1.3348252567 (1.3348252567)
-931.38081749
-253.186751 50.484531 -160.688043
-134.044929 459.761716 -798.923588
-387.231680 510.246247 -959.611631
1153.756512
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1382585181
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3461157066 (a.u.)
total exchange computation time: 2.7651448250 s
678.59247879
-1083.07628157
89.75059142
-389.54849786
-174.75299277
77.86775901
551.60419304
0.00000000
-931.38081771
-10.88914473 -4.23257655 6.73010660
-0.00028149 0.00001568 -0.00011073
0.00090350 0.00290416 -0.01506338
-14.13960128 3.50265480 9.43017236
0.00026551 0.00017714 -0.00020921
0.00335049 0.03140306 0.00538272
-15.98439934 1.31400942 3.47907056
-0.00008146 0.00005294 -0.00016231
0.01639896 -0.01183303 0.03168633
2.45169181 -19.80580562 12.82055755
0.00028150 -0.00000396 0.00013874
0.00406169 -0.01222515 -0.00455335
9.60827319 20.39920260 0.94107204
0.00024076 -0.00014759 0.00033063
-0.01985774 0.00714696 0.00475698
-11.90682796 12.62019024 15.09013521
-0.00047410 -0.00015929 0.00016267
0.03239934 0.00170008 0.02302940
-6.31677049 1.51332286 -12.20542427
0.00019533 -0.00006266 -0.00040551
-0.00135814 -0.01405113 0.00963154
-7.39977537 7.81917001 -5.90745375
-0.00002731 -0.00005878 -0.00004525
0.00902688 -0.02377277 0.00425922
-7.65879759 -4.40847121 17.83842703
-0.00021867 0.00025707 -0.00008040
-0.00474332 -0.01734856 0.01796787
-23.46144288 -4.94531105 -22.54327067
-0.00018808 -0.00046568 -0.00018380
0.00158141 0.00166258 0.02412470
6.63667264 12.78443608 6.05426731
0.00002672 -0.00005702 -0.00006978
0.01738310 -0.02246172 0.02269757
24.68275629 30.39038934 -2.87133412
0.00006761 0.00030007 -0.00010848
-0.00247301 -0.01347863 0.01911567
7.91850660 -1.26108243 -14.42320784
0.00003956 0.00020537 -0.00038956
-0.00401705 0.01089133 -0.02908608
-7.21328810 -0.92372400 14.37367108
-0.00043956 -0.00021007 0.00022869
-0.00416679 0.00967573 -0.00077295
-1.92680909 -26.23862401 11.32990303
0.00026716 0.00000511 -0.00010162
0.02174062 0.01459459 -0.03021666
-14.19414394 -4.62086663 -7.05751429
0.00030257 0.00022251 0.00014055
0.00225217 0.01589137 0.00499989
-19.99751863 -12.52509987 -17.84304109
0.00014509 -0.00009689 0.00035504
-0.01806809 0.01848504 0.01095845
22.68808637 3.62805967 3.04931698
0.00023492 0.00007648 -0.00015476
-0.00648804 -0.02170963 0.00127525
17.77543768 -10.09543994 -14.35596036
-0.00017518 -0.00027529 0.00004142
0.01411197 -0.01193681 0.02683948
-2.14708980 1.89739831 -7.12493103
0.00024958 -0.00017916 0.00030272
0.01798926 0.01508502 -0.01367908
-4.13881161 -3.03943897 -15.62424047
-0.00027733 -0.00006436 0.00000224
0.01222756 0.01012118 0.00189129
13.37171145 17.21588941 -20.17381761
-0.00014469 0.00024817 0.00025090
0.01596284 0.00933809 -0.00068662
-16.39537132 16.06312630 -12.06822354
0.00045410 -0.00002214 -0.00011540
0.01678161 -0.02281311 -0.04674421
1.57634857 14.31853296 7.54172287
0.00064178 0.00042980 -0.00006986
-0.02029512 0.05244725 0.01753950
-5.23403128 -9.58609983 2.08737693
-0.00034747 -0.00004226 0.00020582
0.03471798 -0.04229171 0.03092633
3.08176294 -6.34067764 2.51024946
-0.00008067 -0.00004445 0.00020375
0.01906615 -0.02965120 -0.00621070
10.85478616 4.86014020 4.55975258
-0.00007016 0.00016251 -0.00037388
0.00296535 0.00159121 0.01020097
-8.52460820 -9.72402085 -2.65353796
0.00001539 0.00007804 -0.00027174
-0.02886020 0.03419357 -0.00340325
3.15392803 -15.99342515 -13.24457700
0.00005893 -0.00000245 0.00018407
-0.01713045 0.00175792 0.02643105
4.86906493 -8.43511685 -5.68748903
-0.00008524 0.00002433 0.00030632
-0.03405602 -0.04320273 0.04151201
18.56629782 0.81214203 24.79183873
-0.00003708 0.00045494 -0.00022899
-0.01729686 -0.00161508 0.00108624
-8.21259746 3.14385592 1.06225661
-0.00047688 -0.00000361 0.00017624
0.01566773 -0.00635793 -0.01342710
-7.85887179 14.21102186 -10.57319083
0.00017909 0.00000063 0.00032827
-0.02057689 -0.00787238 -0.03889986
1.69318480 11.37832215 -8.97729645
0.00003204 0.00008599 0.00020026
-0.01955778 -0.03321702 -0.04598341
-11.84023130 9.98948183 -13.82204694
0.00022136 0.00019373 0.00000923
0.02487154 -0.01483789 -0.01396881
7.21842367 4.26624453 14.70516298
-0.00042259 0.00051984 -0.00007394
-0.00645890 -0.00167941 -0.00638066
-14.61950218 9.36715612 -9.30244573
-0.00031404 -0.00039823 0.00043983
-0.02927058 -0.02574755 -0.01830113
8.53450547 8.34590033 -3.09217434
0.00005942 -0.00019526 0.00001380
-0.05098200 -0.01105595 -0.03158894
13.68612467 -20.38721943 -25.72965585
0.00007420 -0.00009532 -0.00010352
-0.00946584 -0.01158602 -0.04609210
6.34712886 6.49642145 2.68508486
-0.00013686 -0.00001006 -0.00022157
-0.02428947 -0.01909518 0.00359622
19.21659186 -5.77104190 -6.51103734
-0.00008090 -0.00005628 -0.00029454
-0.01197819 0.00028962 0.02438167
-1.73246478 0.07832912 -2.50829174
0.00022420 -0.00019189 -0.00038863
0.00869557 -0.00659115 0.00790573
2.39419775 -1.91738545 -12.35653007
-0.00029521 0.00013059 0.00042348
0.01309571 0.02724763 -0.01063795
20.52342008 9.36163282 -5.24762565
-0.00049272 0.00000356 -0.00010723
0.02179930 -0.03045254 -0.00440686
-7.46902739 6.47496311 9.42044943
-0.00001374 -0.00007002 0.00005638
-0.00779370 -0.00557494 0.05342156
-2.68454205 -14.60836143 11.57491685
-0.00001462 0.00000660 -0.00026570
0.00310846 -0.00253351 0.01003176
8.14214301 0.42074953 -4.97342076
-0.00004925 -0.00017292 0.00006972
-0.00250137 0.00702872 0.02454414
-0.02774099 -10.04272839 0.49727815
-0.00009985 -0.00020972 -0.00015259
-0.00167280 -0.02799183 0.00013434
-20.08200549 -1.44474627 4.77000752
-0.00012672 0.00018268 -0.00000025
-0.01329651 0.02558938 -0.02927246
-4.69460764 7.59844388 -23.50389373
0.00001267 -0.00025483 -0.00014373
0.01073630 0.02190645 0.00625550
2.57166399 2.37229972 -1.37477395
0.00007035 -0.00022236 0.00045274
0.00238190 0.01377439 0.00084127
15.51727901 7.55371641 4.68191543
0.00008571 -0.00002866 -0.00009978
0.01026146 0.01460620 0.00576346
-9.34199706 -4.82483468 7.42182998
0.00054955 0.00029058 0.00033238
0.00954045 -0.00727960 0.00873395
-10.49774614 -3.73532606 4.98491577
0.00055825 0.00017357 0.00062009
0.00217970 -0.00917095 0.00689963
-12.91063969 4.71979845 8.82390297
0.00004191 -0.00055793 -0.00069711
-0.00486668 0.00798569 0.00438433
-13.43984417 2.04878537 8.66857516
-0.00024563 -0.00002628 -0.00007115
0.00437224 -0.02823889 -0.01078808
-14.83504574 1.40347128 5.01377679
-0.00068199 0.00136351 0.00092509
-0.02345080 -0.00359792 -0.02902452
-17.20282283 -0.04797150 4.02692998
0.00070091 0.00094832 -0.00006029
0.00756151 0.01705329 -0.00567882
2.76683035 -21.24946882 11.64450999
0.00128506 -0.00054242 -0.00019547
-0.00490950 0.01245596 0.01000444
3.52119931 -20.11779786 14.27610775
-0.00058974 0.00062613 -0.00077616
0.00126014 0.00441596 -0.00539462
8.58067620 18.86064399 0.95310162
-0.00049142 0.00067261 0.00109233
0.00828673 0.00015375 -0.00527743
8.53070525 21.60693825 1.89035431
-0.00084439 -0.00053855 0.00047027
0.00662013 -0.00316742 -0.00666499
-10.68090738 12.11557203 16.43162674
-0.00084789 -0.00087894 -0.00009190
-0.01326117 0.00207251 -0.01527982
-12.54593877 14.17365731 15.79099194
0.00022493 -0.00055712 -0.00002388
-0.00589332 0.00972041 -0.00400225
-5.55742314 0.18587130 -13.26591127
0.00104775 -0.00028451 -0.00049993
-0.00897396 0.00970847 0.01502970
-6.78010859 0.77675735 -10.47483892
-0.00050406 -0.00040058 0.00057195
0.01017461 0.00212388 -0.02632830
-6.75470113 6.39271531 -4.87643828
-0.00034133 -0.00000352 -0.00041783
-0.00670912 0.01884696 -0.01257541
-9.16191042 7.78554171 -5.48244721
0.00053383 0.00038077 0.00018411
-0.00781836 0.00146249 -0.00143807
-8.64004775 -3.42123950 19.03673349
0.00093667 -0.00032133 -0.00021580
0.00640335 0.00078986 -0.00709267
-7.72238284 -6.10445457 18.58446236
-0.00018599 0.00087195 -0.00032788
-0.00237442 0.00445086 -0.00444710
-23.19071831 -3.34269203 -23.33196158
0.00009771 0.00041892 0.00019804
-0.00191214 0.01220318 -0.01879898
-23.21127088 -4.44235142 -20.77823054
0.00077979 -0.00059398 -0.00025907
-0.00633128 -0.01148240 -0.01137388
6.68237897 13.27458799 4.32809218
-0.00058233 0.00017312 0.00026198
0.00706159 0.00468774 -0.01899263
8.12803472 11.62992956 6.39463119
-0.00001516 0.00039587 0.00059719
-0.02099949 0.01790321 -0.00381816
24.61048633 28.69546103 -2.09578964
0.00058795 -0.00027270 -0.00037851
0.00220035 0.01615613 -0.00804040
23.86010546 31.54567887 -1.65863157
0.00075033 -0.00017690 -0.00058678
0.00462089 -0.00231920 -0.00318829
9.44692690 -2.31626787 -14.55541719
-0.00006557 0.00042381 -0.00143174
0.00056600 -0.00585898 0.00343955
7.69173920 -0.81942236 -12.73677182
0.00085076 -0.00082227 0.00063006
-0.00745292 -0.00191534 0.03420429
-7.35604426 -0.15685378 16.10812453
0.00010611 0.00070029 -0.00047113
-0.00357806 -0.01769187 -0.02431355
-8.39916321 -2.31977324 14.08067713
0.00022874 0.00107369 -0.00100929
0.01176593 0.01541537 0.01758660
-2.53311225 -26.68820387 12.98972511
-0.00047140 0.00019589 0.00019213
-0.01375665 -0.00680134 0.00960507
-3.12536374 -25.91156806 9.97316540
0.00028919 0.00009225 0.00062193
-0.00336591 -0.00469647 0.01146420
-14.07480811 -2.88414444 -6.35561813
-0.00124774 0.00001578 0.00031968
-0.00358031 -0.01067167 -0.00502022
-14.99213228 -4.49684367 -8.69522028
0.00019541 -0.00018032 0.00005129
0.00201770 -0.00167934 -0.00520545
-19.02979568 -11.41140726 -16.72716985
-0.00190209 0.00024717 -0.00072760
0.00581499 -0.00671813 -0.00883268
-18.87911937 -13.84106131 -18.33767399
0.00031202 0.00017889 -0.00035394
0.02232833 -0.00913160 -0.00200596
23.37924133 3.28270179 1.32568483
0.00107996 -0.00127911 0.00003728
0.00392590 0.01664123 0.01185503
22.97080431 5.23271756 3.83051446
-0.00075305 -0.00036980 0.00085871
0.00565851 0.00545994 -0.00696410
16.32700659 -9.76698488 -13.29516223
0.00062097 -0.00098779 -0.00095907
-0.00556098 0.00564575 0.00104286
17.36791343 -9.66423082 -16.02878316
-0.00102354 -0.00095687 0.00037078
-0.00943276 0.01011796 -0.02736190
-0.55623132 2.48160881 -7.97867559
-0.00007512 -0.00070735 -0.00047728
-0.01289080 -0.00990218 0.01098380
-2.43648392 0.31779189 -7.97388923
0.00110479 -0.00041168 0.00143691
-0.00806404 -0.00503046 -0.00155722
-5.67638994 -3.17742262 -16.55389470
0.00061337 -0.00071488 -0.00005218
-0.00936020 -0.00480020 -0.00638475
-3.17357004 -1.87867560 -16.69482031
-0.00074682 0.00055433 0.00011292
-0.00520538 -0.00195556 0.00274421
12.85923938 18.74855477 -21.06333223
0.00043490 0.00031287 0.00110495
-0.00233243 -0.00697921 0.00503470
11.88884366 16.16743842 -20.24178763
-0.00000492 -0.00073130 0.00078114
-0.00979747 -0.00545273 -0.00517052
-15.28460628 15.44021809 -13.60811844
0.00006677 0.00033779 -0.00049960
-0.02705026 0.01882021 0.04371814
-17.91490169 15.08536470 -12.56129219
0.00078927 0.00059541 0.00072869
0.00909717 0.00310816 0.01210213
2.68486592 15.19017731 6.35463851
0.00064265 -0.00033001 -0.00089019
-0.00247181 -0.01260157 -0.00775127
0.59776393 15.83891366 8.23564122
0.00001269 0.00031258 0.00053991
0.01302786 -0.04073493 -0.01152539
-6.28554691 -8.45326484 1.28155591
0.00119914 -0.00044153 -0.00002733
-0.02112177 0.03762065 -0.02149996
-3.45195257 -9.27460909 1.66129032
-0.00005967 -0.00058603 0.00003932
-0.00749666 -0.00074206 -0.00435868
2.54601052 -4.69442742 2.76048296
-0.00018321 -0.00205109 -0.00009281
-0.01722446 0.04459475 0.01508878
4.47315491 -6.07580981 1.35131122
0.00003473 -0.00088481 -0.00019784
0.00777772 -0.01248761 -0.00121628
9.28867869 5.79243450 4.32678656
0.00041196 -0.00073118 0.00019947
0.00140702 0.00107422 -0.00745933
12.20872588 6.11364740 4.72381593
-0.00024509 0.00057866 0.00012042
-0.00060136 -0.00225151 0.00017375
-7.68685215 -11.14760984 -2.09280906
0.00061495 0.00074616 -0.00083471
0.03673632 -0.04445286 0.00243355
-9.77353813 -9.58692098 -1.32581661
0.00036917 0.00062114 -0.00039972
-0.01095710 0.01278545 -0.00357468
4.60396980 -16.67813607 -14.18685552
0.00018121 0.00033221 -0.00122185
-0.01336955 -0.00199570 0.03217775
2.84661813 -16.64432721 -11.42249544
0.00120702 -0.00019527 0.00014082
0.02563810 0.00230111 -0.05795766
5.84025351 -7.02410572 -6.14676591
-0.00023215 0.00026966 0.00020491
0.02135887 0.03189038 0.00415039
4.87322603 -8.67862099 -3.79584600
0.00020938 0.00103150 0.00050502
0.00707116 0.01363021 -0.04053646
16.86828846 1.50067169 24.43771627
-0.00040897 -0.00076547 0.00041349
0.00917044 -0.00198323 0.00264589
19.59737262 2.27276089 25.22477605
0.00106371 -0.00003731 -0.00103843
0.00322010 -0.00017526 -0.00360739
-9.63614412 3.06891286 2.17541434
-0.00083783 0.00062414 0.00073921
-0.01256979 0.01057676 0.01303836
-7.77800544 4.90125232 0.83265973
0.00043460 -0.00055672 -0.00035910
0.00286629 0.00102838 0.00634257
-6.60994065 14.65042175 -9.43708940
0.00049045 -0.00084383 0.00057841
0.03310407 0.01231223 0.03159977
-9.33721240 13.85430580 -9.57948313
0.00110360 0.00014121 -0.00027186
-0.01025861 -0.00581877 0.00620079
0.06727358 10.95077790 -8.28528801
0.00008737 -0.00039801 -0.00028185
0.00248658 0.00248416 0.01189366
2.43160569 12.61534053 -7.97241309
0.00055813 -0.00009605 -0.00027398
0.01994367 0.02855510 0.03163498
-10.39209352 8.83207028 -13.65955828
-0.00028386 0.00064316 0.00002633
-0.00427001 0.00964253 -0.00943537
-12.54531669 9.81867660 -12.17765280
0.00074979 0.00025188 -0.00127616
-0.02108670 0.00355328 0.02224679
7.13036149 6.02283187 15.11923221
0.00010397 -0.00074799 0.00108839
0.00399785 0.01145927 -0.00546137
7.28765618 4.16590422 12.85574843
-0.00062146 -0.00072429 -0.00014009
0.00495759 -0.00124004 0.00567757
-14.10904267 10.73036273 -8.26047204
0.00045538 0.00051194 -0.00045658
0.01761458 0.02145938 0.01810126
-16.40162405 9.71639858 -9.59293387
0.00088748 0.00073577 -0.00053512
0.00399134 -0.00377783 -0.00311329
8.74539799 9.77612380 -2.04428106
-0.00038971 0.00013432 -0.00007768
0.00290818 0.02135862 0.01261651
6.81451031 8.71674818 -3.93041868
-0.00012774 -0.00076145 -0.00221859
0.04583839 -0.00820263 0.02368700
12.10704146 -20.46476632 -26.70426373
0.00050003 0.00033921 0.00009759
0.00941565 0.00321120 0.01411818
13.34556951 -19.69147744 -24.09427438
0.00072156 -0.00014978 -0.00007421
-0.00145139 0.00120808 0.02079401
5.61953009 4.75554342 2.68912828
0.00042439 0.00139512 0.00032878
0.01379623 0.01047673 0.00491226
6.30785095 6.91866210 0.92480704
-0.00017868 0.00134530 -0.00022878
0.00768780 0.00613934 -0.00879475
20.53733553 -6.61783634 -5.55157711
-0.00050829 0.00064108 -0.00087359
-0.01033970 0.00544202 -0.00272846
17.91978253 -5.11018013 -5.30130760
-0.00074194 -0.00040866 0.00014264
0.01755580 -0.00603585 -0.01421789
-3.08887169 0.08165080 -1.26864785
-0.00028718 0.00014516 0.00076199
0.00366007 0.01138752 -0.00760745
-2.08160906 0.97710550 -4.08972121
-0.00104789 0.00052445 0.00015499
-0.01352757 -0.00382187 -0.00342709
3.48181700 -3.32411194 -12.09860351
0.00042870 -0.00065068 0.00009967
0.02512736 -0.01721251 0.00017868
0.88313012 -2.36909761 -11.49997137
0.00030755 0.00052616 -0.00030856
-0.03134133 -0.01184878 0.00980564
20.23645318 8.21176424 -6.66813417
-0.00104742 0.00071382 0.00098885
-0.00864603 0.00922044 0.00323468
22.18286254 8.59959095 -4.59657660
-0.00094587 -0.00043570 -0.00057752
-0.02136077 0.01990286 -0.00639718
-7.59071729 4.69611406 8.93394579
-0.00003337 0.00012058 -0.00021935
0.00502526 -0.00219351 0.00301204
-7.31661955 6.29119832 11.34395282
-0.00032930 -0.00028385 -0.00011197
-0.00842163 0.00593681 -0.04706968
-3.02909644 -16.40604700 11.82930445
0.00036052 -0.00009973 -0.00077744
-0.00274154 0.01256322 -0.00432655
-4.25200314 -13.68526069 11.81385385
0.00093454 0.00063709 -0.00024328
0.00393211 -0.01007613 -0.00149209
8.18791818 0.22913847 -3.10148318
0.00043458 0.00074370 -0.00080589
-0.00077251 0.00701116 -0.02877864
7.63874448 2.22585654 -5.56919132
0.00030755 -0.00017227 0.00022766
0.01043914 -0.03067840 0.00759948
1.19751720 -10.62405831 1.79423196
0.00051462 -0.00039662 -0.00083105
-0.01260520 0.01079663 -0.00404553
0.30599138 -8.32947127 0.02352622
-0.00067806 0.00010815 0.00060270
0.00711429 0.01123536 0.00209644
-19.87665930 -1.42103859 6.59261255
-0.00026820 0.00038766 0.00062179
-0.00382783 0.00046246 0.01225406
-20.89493264 0.20422013 4.24159593
-0.00099791 0.00073042 -0.00006889
0.01213505 -0.02355905 0.01487879
-3.65801695 8.18032957 -24.96368907
0.00053075 0.00186332 -0.00065077
-0.00815055 -0.00313283 0.00707705
-4.43037877 9.00436194 -22.30883754
0.00037578 0.00110049 -0.00084750
-0.00265640 -0.01574812 -0.00782533
3.64996155 0.92988295 -0.95975181
0.00020415 0.00068005 0.00025922
-0.01848281 0.00802729 -0.01095366
0.92382954 1.95375746 -2.20128501
0.00020523 -0.00112416 -0.00002854
0.01747502 -0.02176927 0.01428694
16.22970997 7.54058837 6.42943692
-0.00064163 -0.00053549 0.00000337
-0.01354660 0.00501322 -0.02331657
15.83243538 9.24702991 3.96347166
-0.00040510 -0.00160075 0.00006787
-0.00086888 -0.01616202 0.00932164
-0.35292345 -11.81723958 -13.37546020
-0.00001502 0.00001039 0.00024683
0.00692403 -0.00246609 -0.00013910
-13.93259992 14.53651373 22.12211417
-0.00001495 -0.00009972 0.00014384
0.00078728 -0.00249575 0.00150731
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02704649
0.35377122
471.38240881
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1380421850
ExchangeOperator: bisection time: 1.246 s
total exchange = -52.3657079562 (a.u.)
total exchange computation time: 2.7225899696 s
-154.0458459087
-931.37700058
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1380421850
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3656631489 (a.u.)
total exchange computation time: 2.7203290462 s
-154.0466863018
Anderson extrapolation: theta=1.3634812098 (1.3634812098)
-931.37722120
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1380421850
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3655150229 (a.u.)
total exchange computation time: 2.7200779915 s
-154.0484507609
Anderson extrapolation: theta=0.0572667997 (0.0572667997)
-931.37735471
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1380421850
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3654337071 (a.u.)
total exchange computation time: 2.7207119465 s
-154.0491111860
Anderson extrapolation: theta=2.0425922914 (2.0000000000)
-931.37736035
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1380421850
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3652434728 (a.u.)
total exchange computation time: 2.7196230888 s
-154.0505881654
Anderson extrapolation: theta=0.2441352002 (0.2441352002)
-931.37736679
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1380421850
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3651869108 (a.u.)
total exchange computation time: 2.7190701962 s
-154.0509726778
Anderson extrapolation: theta=1.6658963866 (1.6658963866)
-931.37736812
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1380421850
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3651065271 (a.u.)
total exchange computation time: 2.7201571465 s
-154.0514626870
Anderson extrapolation: theta=0.3078929081 (0.3078929081)
-931.37736962
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1380421850
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3650971361 (a.u.)
total exchange computation time: 2.7199778557 s
-154.0514633817
Anderson extrapolation: theta=1.2227422094 (1.2227422094)
-931.37736999
-253.120171 50.472419 -160.699067
-134.007462 459.781236 -798.970556
-387.127633 510.253654 -959.669623
1153.773106
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1380421850
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3650977311 (a.u.)
total exchange computation time: 2.7211451530 s
678.90048491
-1083.71764833
89.71974424
-389.11103262
-174.80382071
78.21989019
551.60419304
0.00000000
-931.37737024
-10.89336356 -4.23233019 6.72838760
-0.00027946 0.00001628 -0.00011704
0.00697762 -0.00057365 -0.00949903
-14.13560571 3.50543299 9.42705497
0.00026665 0.00019267 -0.00020618
0.00106795 0.02899553 0.00638933
-15.98555793 1.31475790 3.47675812
-0.00007163 0.00004814 -0.00014575
0.02181290 -0.00682017 0.03270474
2.45593000 -19.80591217 12.82262106
0.00028229 -0.00001073 0.00013354
-0.00101137 -0.01412045 -0.01565561
9.61180799 20.39701626 0.94604987
0.00022992 -0.00014313 0.00033363
-0.02227879 0.01019777 0.00689959
-11.91381447 12.61780743 15.09266406
-0.00045727 -0.00015941 0.00017372
0.03305537 -0.00218070 0.01996597
-6.31384574 1.51232882 -12.21146980
0.00019463 -0.00007089 -0.00039988
-0.00138861 -0.01795474 0.01226762
-7.40015016 7.81819655 -5.90811601
-0.00002196 -0.00007056 -0.00004365
0.01175151 -0.02200623 0.00195393
-7.66209602 -4.40468208 17.83729034
-0.00021998 0.00024805 -0.00007280
-0.00032652 -0.01774441 0.01159075
-23.46425793 -4.95228983 -22.54593468
-0.00018698 -0.00046349 -0.00017203
0.00269938 0.00685601 0.02167954
6.63714049 12.78349406 6.05330818
0.00003532 -0.00006836 -0.00005748
0.01607526 -0.02160001 0.02514517
24.68376083 30.39483834 -2.87288754
0.00006702 0.00029157 -0.00009959
0.00019902 -0.01954841 0.01545773
7.91908452 -1.25795985 -14.42916342
0.00003695 0.00021164 -0.00040283
-0.00612306 0.01349402 -0.02251699
-7.21989755 -0.92683777 14.37709850
-0.00043989 -0.00020333 0.00022766
0.00286637 0.01655908 -0.00324764
-1.92271787 -26.23849112 11.32826220
0.00027842 0.00001212 -0.00011551
0.02205812 0.01268916 -0.02378347
-14.18959676 -4.61746763 -7.05538681
0.00030346 0.00023032 0.00014276
0.00122138 0.01444636 0.00361056
-19.99541192 -12.52648198 -17.83767321
0.00013428 -0.00008929 0.00035872
-0.02397298 0.01106826 0.00333424
22.69158516 3.62912311 3.04700055
0.00023146 0.00006470 -0.00015437
-0.00697875 -0.02410411 0.00022851
17.77286443 -10.09961528 -14.35523551
-0.00016590 -0.00028185 0.00005404
0.02195642 -0.01359347 0.02224252
-2.14327676 1.89476908 -7.12044301
0.00025883 -0.00017080 0.00029591
0.01801175 0.01743064 -0.01278432
-4.14292434 -3.04036540 -15.62419961
-0.00026982 -0.00005885 0.00000379
0.01696319 0.01133724 0.00415625
13.36960269 17.21964795 -20.17005682
-0.00013659 0.00025153 0.00025113
0.01554069 0.00375277 0.00159406
-16.38849514 16.06270626 -12.07013480
0.00046367 -0.00003295 -0.00013891
0.02044394 -0.01922300 -0.04468670
1.58589692 14.32518222 7.54074266
0.00063116 0.00045679 -0.00006074
-0.02099829 0.05250545 0.01791743
-5.23910943 -9.58689683 2.09058346
-0.00032769 -0.00006553 0.00022275
0.04221082 -0.04820776 0.03493916
3.08062649 -6.34145875 2.51328171
-0.00006901 -0.00006433 0.00019962
0.02625546 -0.04766752 -0.00982989
10.85374521 4.86258397 4.55418375
-0.00006694 0.00016271 -0.00036829
0.00956472 -0.00079376 0.01152727
-8.52448865 -9.72271840 -2.65762723
0.00000049 0.00009638 -0.00027424
-0.02909385 0.03715207 -0.00629001
3.15474586 -15.99345516 -13.24171402
0.00005109 -0.00000185 0.00019671
-0.01334867 0.00059449 0.02273619
4.86765503 -8.43491855 -5.68273412
-0.00010231 0.00000279 0.00032758
-0.03233647 -0.04057623 0.04118138
18.56567492 0.81895989 24.78840813
-0.00004551 0.00045351 -0.00022837
-0.01547912 -0.00395204 0.00128968
-8.21969018 3.14377729 1.06484840
-0.00046984 -0.00000757 0.00017005
0.01170221 -0.00903988 -0.01065451
-7.85626479 14.21100094 -10.56841687
0.00017080 -0.00000272 0.00030765
-0.01166452 -0.00514973 -0.04128846
1.69358995 11.37948389 -8.97446997
0.00002212 0.00006874 0.00017621
-0.01900555 -0.03386551 -0.04751770
-11.83681495 9.99233055 -13.82196235
0.00023440 0.00018706 -0.00000056
0.02583183 -0.01111392 -0.02412758
7.21205991 4.27403567 14.70402924
-0.00042574 0.00051638 -0.00007753
-0.00579143 -0.01179573 -0.00758206
-14.62432562 9.36108336 -9.29591889
-0.00032734 -0.00041087 0.00043117
-0.02244971 -0.02340510 -0.01535903
8.53520015 8.34292881 -3.09208927
0.00003254 -0.00020068 -0.00000289
-0.05357159 -0.01004109 -0.03328324
13.68720108 -20.38869399 -25.73138652
0.00007021 -0.00010129 -0.00012692
-0.00601324 -0.01159864 -0.04487526
6.34498222 6.49619685 2.68177515
-0.00014834 -0.00001728 -0.00022024
-0.02035914 -0.00898558 0.00158731
19.21533216 -5.77188499 -6.51536140
-0.00008906 -0.00005502 -0.00028239
-0.01974672 0.00462990 0.02287016
-1.72906827 0.07542531 -2.51409068
0.00022691 -0.00019506 -0.00038335
0.00185889 -0.00572007 0.01260768
2.38982017 -1.91532147 -12.35021895
-0.00028535 0.00014349 0.00041737
0.02521875 0.02289644 -0.01310606
20.51611335 9.36156871 -5.24925103
-0.00048148 -0.00001065 -0.00010793
0.02192184 -0.02479341 0.00165699
-7.46926361 6.47389124 9.42150124
-0.00001782 -0.00007272 0.00008350
-0.00807111 -0.00488939 0.05201524
-2.68474935 -14.60827225 11.57097003
-0.00001192 0.00000505 -0.00026076
0.00739088 -0.00347919 0.00916510
8.14139454 0.41818291 -4.97228034
-0.00005058 -0.00016900 0.00008078
-0.00263607 0.00818024 0.01847377
-0.02924521 -10.04598213 0.49498986
-0.00010068 -0.00022400 -0.00015255
-0.00154167 -0.02754150 0.00001802
-20.08395759 -1.44190732 4.76989079
-0.00013400 0.00019673 -0.00001436
-0.01500103 0.02902733 -0.02558903
-4.69437625 7.59470600 -23.50602560
0.00001959 -0.00024173 -0.00014147
0.01620037 0.02902149 0.00256515
2.57272836 2.36901749 -1.36797960
0.00007045 -0.00021450 0.00045277
-0.00198820 0.01676284 -0.00073461
15.51860422 7.55334289 4.68044100
0.00009021 -0.00002386 -0.00009601
0.00724514 0.00404174 0.00889282
-9.33346146 -4.82069902 7.42708335
0.00057603 0.00026555 0.00036365
0.00342184 -0.00497138 0.00657100
-10.48930553 -3.73300360 4.99442847
0.00056756 0.00013803 0.00064089
0.00237723 -0.00822600 0.00328472
-12.91016020 4.71167421 8.81358071
0.00002701 -0.00051983 -0.00068096
-0.00242717 0.01066650 0.00351904
-13.44339464 2.04752585 8.66717740
-0.00022818 -0.00014285 -0.00011506
0.00416763 -0.02882512 -0.01071050
-14.84599426 1.42381364 5.02676368
-0.00077991 0.00134724 0.00080112
-0.02447787 -0.00436733 -0.03165553
-17.19207750 -0.03322409 4.02585159
0.00072298 0.00100858 -0.00008026
0.00324510 0.01244536 -0.00409540
2.78595583 -21.25722337 11.64188458
0.00126219 -0.00048493 -0.00014967
-0.00628856 0.01568488 0.01241437
3.51239189 -20.10827058 14.26430002
-0.00057218 0.00064096 -0.00078053
0.00733558 0.00284122 0.00325728
8.57355875 18.87073780 0.96932487
-0.00045756 0.00066804 0.00106915
0.00829129 -0.00238807 -0.00607131
8.51824232 21.59876291 1.89720410
-0.00081237 -0.00055146 0.00044072
0.00905093 -0.00315091 -0.00780130
-10.69403209 12.10245150 16.42977996
-0.00090001 -0.00087078 -0.00015209
-0.01225372 0.00191831 -0.01417913
-12.54274541 14.16559834 15.79051114
0.00019731 -0.00050879 -0.00003609
-0.00762906 0.01393997 -0.00197548
-5.54198193 0.18190114 -13.27294969
0.00100766 -0.00024040 -0.00043419
-0.01064755 0.01188199 0.01715184
-6.78735777 0.77081371 -10.46706645
-0.00045902 -0.00038881 0.00045552
0.01187386 0.00363896 -0.03066621
-6.76002667 6.39323998 -4.88309104
-0.00036614 0.00006953 -0.00046611
-0.00543378 0.01691573 -0.01105885
-9.15414251 7.79129804 -5.47972964
0.00049394 0.00038702 0.00017996
-0.01170959 0.00159897 -0.00059404
-8.62580141 -3.42603531 19.03327921
0.00095420 -0.00030833 -0.00023465
0.00217655 0.00557784 -0.00213825
-7.72524548 -6.09123892 18.57940782
-0.00019578 0.00088072 -0.00034288
-0.00241922 -0.00016000 -0.00289383
-23.18931121 -3.33603431 -23.32956710
0.00008801 0.00045852 0.00012525
-0.00283611 0.00718037 -0.01682904
-23.19976798 -4.45161298 -20.78246511
0.00075341 -0.00064124 -0.00030458
-0.00658421 -0.01164955 -0.01090264
6.67386035 13.27732850 4.33143982
-0.00055210 0.00019233 0.00018096
0.00773905 0.00471363 -0.02066635
8.12716383 11.63641628 6.40347198
-0.00009908 0.00046766 0.00057966
-0.02008170 0.01723633 -0.00476345
24.61937306 28.69186564 -2.10171368
0.00059642 -0.00020167 -0.00041256
0.00194587 0.01861101 -0.00862566
23.87150198 31.54295431 -1.66753093
0.00076362 -0.00017989 -0.00059196
0.00188549 0.00085627 0.00065371
9.44596064 -2.31009033 -14.57678792
-0.00006169 0.00039878 -0.00141722
0.00133307 -0.00639310 0.00366725
7.70427215 -0.83181511 -12.72627285
0.00082268 -0.00083393 0.00075675
-0.00629238 -0.00379021 0.02781144
-7.35456228 -0.14689153 16.10031250
0.00008925 0.00062774 -0.00056608
-0.00467664 -0.01782453 -0.02216359
-8.39537156 -2.30319554 14.06607676
0.00026456 0.00112344 -0.00093775
0.00576859 0.00893843 0.01743091
-2.54060479 -26.68547389 12.99290132
-0.00052386 0.00016981 0.00022491
-0.01192441 -0.00596823 0.00644100
-3.12112903 -25.91032826 9.98284571
0.00027075 0.00007466 0.00066229
-0.00566019 -0.00391382 0.00829282
-14.09363395 -2.88423478 -6.35097672
-0.00126107 -0.00002498 0.00030027
-0.00294375 -0.00928196 -0.00448335
-14.98913934 -4.49960000 -8.69461045
0.00020443 -0.00018730 0.00003161
0.00239929 -0.00173441 -0.00442760
-19.05814883 -11.40790565 -16.73835452
-0.00186574 0.00023147 -0.00075050
0.01197734 -0.00096449 -0.00237714
-18.87375484 -13.83865783 -18.34304450
0.00040247 0.00014470 -0.00036004
0.02194588 -0.00760534 -0.00098093
23.39556110 3.26402512 1.32660730
0.00109544 -0.00120775 0.00008775
0.00364874 0.01828663 0.01284865
22.95968198 5.22733789 3.84318172
-0.00072852 -0.00034584 0.00082947
0.00635004 0.00626670 -0.00734940
16.33615068 -9.78162868 -13.30951627
0.00058213 -0.00096151 -0.00094119
-0.01344948 0.00721508 0.00770689
17.35227125 -9.67827383 -16.02405997
-0.00106164 -0.00091525 0.00025449
-0.00921661 0.01025501 -0.02955914
-0.55775312 2.47069515 -7.98549819
-0.00012588 -0.00074539 -0.00043184
-0.01195799 -0.00872128 0.01125852
-2.42015923 0.31146254 -7.95238328
0.00106955 -0.00043913 0.00142755
-0.00918515 -0.00840410 -0.00302678
-5.66747627 -3.18829290 -16.55487308
0.00056492 -0.00073616 -0.00008409
-0.01435411 -0.00561673 -0.00923590
-3.18493187 -1.87042054 -16.69304245
-0.00076752 0.00054566 0.00012470
-0.00492878 -0.00228784 0.00302542
12.86569136 18.75303399 -21.04660365
0.00042113 0.00028905 0.00112135
-0.00440639 -0.00468284 0.00299252
11.88846967 16.15630177 -20.23022894
-0.00003940 -0.00074696 0.00075911
-0.00708225 -0.00221304 -0.00561403
-15.28443361 15.44586166 -13.61427284
-0.00004296 0.00041373 -0.00032178
-0.02666636 0.01835385 0.04332792
-17.90278392 15.09439108 -12.54999102
0.00081780 0.00060195 0.00077451
0.00486846 0.00009405 0.01032652
2.69442987 15.18484093 6.34104818
0.00062963 -0.00038054 -0.00091865
-0.00390119 -0.01213143 -0.00618041
0.59835355 15.84235416 8.24338663
0.00006973 0.00014456 0.00048933
0.01489044 -0.04151437 -0.01323341
-6.26820711 -8.45873500 1.28048718
0.00109986 -0.00027442 -0.00012512
-0.02747411 0.04418091 -0.02636964
-3.45307729 -9.28342228 1.66174660
-0.00009252 -0.00059019 0.00002322
-0.00858463 -0.00129470 -0.00352372
2.54273458 -4.72382727 2.75955315
-0.00026484 -0.00183298 -0.00002657
-0.02273409 0.06217093 0.01733497
4.47391416 -6.08946466 1.34830636
0.00006341 -0.00093498 -0.00020016
0.00626227 -0.01206843 0.00008181
9.29490126 5.78149976 4.32955001
0.00040599 -0.00071945 0.00016716
-0.00433315 0.00466600 -0.00835636
12.20503104 6.12225833 4.72562755
-0.00024913 0.00056735 0.00012046
-0.00137610 -0.00328616 -0.00015353
-7.67650212 -11.13777955 -2.10525512
0.00076699 0.00055995 -0.00082178
0.03768820 -0.04669958 0.00389593
-9.76833636 -9.57721209 -1.33192197
0.00032262 0.00067217 -0.00041078
-0.01182634 0.01219287 -0.00183884
4.60627820 -16.67321411 -14.20419719
0.00011993 0.00032725 -0.00108518
-0.01662626 -0.00043139 0.03472105
2.86550911 -16.64718578 -11.42215918
0.00131035 -0.00018651 -0.00009371
0.02494226 0.00198933 -0.05684380
5.83742579 -7.01908367 -6.14356506
-0.00014717 0.00039652 0.00022185
0.02023966 0.03021204 0.00414020
4.87658341 -8.66273086 -3.78951284
0.00023748 0.00108541 0.00033985
0.00668195 0.01276269 -0.04031600
16.86243487 1.48912884 24.44399965
-0.00037261 -0.00076962 0.00042415
0.00862840 -0.00004915 0.00257246
19.61342692 2.27219586 25.20908911
0.00107431 -0.00003683 -0.00105338
0.00197059 0.00041016 -0.00371470
-9.64909671 3.07859912 2.18690204
-0.00088113 0.00066867 0.00078583
-0.00862748 0.01121912 0.00978275
-7.77139862 4.89293302 0.82746760
0.00044666 -0.00054853 -0.00033310
0.00303789 0.00297912 0.00638247
-6.60156956 14.63814160 -9.42744490
0.00062181 -0.00079551 0.00070329
0.03120189 0.01133841 0.02953033
-9.32097281 13.85624562 -9.58337103
0.00104724 0.00011421 -0.00023746
-0.01732661 -0.00739945 0.01063635
0.06866034 10.94488392 -8.28915132
0.00009693 -0.00038680 -0.00023171
0.00219221 0.00300037 0.01264980
2.44058876 12.61477476 -7.97555341
0.00063875 0.00002108 -0.00014304
0.01952055 0.02878288 0.03246069
-10.39648229 8.84201322 -13.65945240
-0.00029342 0.00067661 -0.00001225
-0.00040749 0.00672901 -0.00945214
-12.53471596 9.82256370 -12.19611351
0.00065393 0.00026467 -0.00116404
-0.02583772 0.00270822 0.03263958
7.13204349 6.01196318 15.13539063
0.00011962 -0.00068571 0.00106634
0.00366408 0.01902597 -0.00532922
7.27848618 4.15500191 12.85382106
-0.00060112 -0.00072499 -0.00011432
0.00500058 0.00089456 0.00693534
-14.10167214 10.73869946 -8.26676603
0.00052552 0.00059335 -0.00038722
0.01671838 0.01839055 0.01584770
-16.38818950 9.72731931 -9.60105607
0.00089186 0.00072167 -0.00054949
-0.00184752 -0.00312258 -0.00392163
8.73964139 9.77879304 -2.04505963
-0.00038013 0.00021904 -0.00002931
0.00178139 0.02011604 0.01105793
6.81399888 8.70507505 -3.96297175
0.00006720 -0.00079404 -0.00211500
0.04958440 -0.00775078 0.02702336
12.11483038 -20.45957976 -26.70236718
0.00053229 0.00035201 0.00015200
0.00637992 0.00305459 0.01251472
13.35634846 -19.69368712 -24.09475036
0.00071473 -0.00014431 0.00001206
-0.00189434 0.00147034 0.02143810
5.62631867 4.77679124 2.69421053
0.00047275 0.00142089 0.00034604
0.00987487 0.00213857 0.00353811
6.30540628 6.93902970 0.92110587
-0.00014782 0.00136696 -0.00025870
0.00742010 0.00446419 -0.00585209
20.52939440 -6.60805331 -5.56476453
-0.00053953 0.00065635 -0.00087707
-0.00495263 0.00203248 0.00102268
17.90919137 -5.11649494 -5.29960374
-0.00066573 -0.00043493 0.00008004
0.01975141 -0.00682480 -0.01642124
-3.09306722 0.08417711 -1.25745115
-0.00025960 0.00019101 0.00072120
0.00984250 0.01105622 -0.01235666
-2.09774192 0.98485509 -4.08750138
-0.00110064 0.00050792 0.00014236
-0.01229368 -0.00426641 -0.00275761
3.48901751 -3.33439964 -12.09710306
0.00052004 -0.00070750 0.00009805
0.01958470 -0.01059936 -0.00096866
0.88678295 -2.36156831 -11.50429926
0.00016745 0.00047359 -0.00026112
-0.03723714 -0.01388269 0.01341622
20.22047695 8.22275408 -6.65320237
-0.00108635 0.00074047 0.00098808
-0.01041219 0.00382692 -0.00360991
22.16802000 8.59366537 -4.60543547
-0.00102908 -0.00035477 -0.00060117
-0.01937492 0.01970996 -0.00517756
-7.59106384 4.69785562 8.93074790
-0.00001285 0.00011000 -0.00020737
0.00501975 -0.00298546 0.00285048
-7.32181719 6.28712252 11.34083093
-0.00036278 -0.00025943 -0.00030138
-0.00796503 0.00601648 -0.04564836
-3.02377271 -16.40715793 11.81751021
0.00034762 -0.00004819 -0.00079464
-0.00356891 0.01266412 -0.00408984
-4.23786452 -13.67601309 11.81015897
0.00094306 0.00059769 -0.00024824
0.00023969 -0.00921123 -0.00093723
8.19441320 0.24050883 -3.11445336
0.00043174 0.00076984 -0.00091008
-0.00061749 0.00578329 -0.02222306
7.64367768 2.22233243 -5.56554348
0.00034935 -0.00029651 0.00025708
0.01001964 -0.03013989 0.00680155
1.20485016 -10.62967670 1.78164222
0.00046232 -0.00035248 -0.00084683
-0.01299263 0.01080586 -0.00367577
0.29603845 -8.32750470 0.03263090
-0.00064898 0.00015354 0.00061078
0.00712275 0.01098043 0.00185979
-19.88079955 -1.41520946 6.60231496
-0.00028489 0.00038941 0.00066217
-0.00434390 0.00039311 0.00751114
-20.90952945 0.21445455 4.24101852
-0.00094374 0.00062690 -0.00000569
0.01438282 -0.02711783 0.01605542
-3.65030547 8.20818337 -24.97323371
0.00048913 0.00184233 -0.00061287
-0.01222188 -0.00714065 0.01147246
-4.42482353 9.02038664 -22.32178989
0.00036211 0.00102921 -0.00088111
-0.00403559 -0.01913991 -0.00862489
3.65245739 0.94032969 -0.95619913
0.00013557 0.00070449 0.00021687
-0.01508425 0.00393341 -0.00977904
0.92744353 1.93622796 -2.20127537
0.00027808 -0.00121133 0.00003091
0.01818351 -0.02090158 0.01481553
16.21967038 7.53270968 6.42877305
-0.00069525 -0.00051404 -0.00008975
-0.01270025 0.00548642 -0.02226855
15.82633229 9.22252343 3.96477537
-0.00040439 -0.00164638 0.00009805
0.00121368 -0.00617533 0.00545057
-0.35313013 -11.81709037 -13.37175817
-0.00001250 0.00000953 0.00024677
0.00715081 -0.00235565 -0.00019478
-13.93282287 14.53501356 22.12427432
-0.00001479 -0.00010032 0.00014418
0.00060439 -0.00264156 0.00148346
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02691863
0.35045162
466.95920751
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1370037858
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3853338019 (a.u.)
total exchange computation time: 2.7761609554 s
-154.1200343218
-931.37176890
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1370037858
ExchangeOperator: bisection time: 1.247 s
total exchange = -52.3850417314 (a.u.)
total exchange computation time: 2.7761559486 s
-154.1228539078
Anderson extrapolation: theta=1.3645757721 (1.3645757721)
-931.37199634
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1370037858
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.3845574006 (a.u.)
total exchange computation time: 2.7817249298 s
-154.1272921372
Anderson extrapolation: theta=0.0567258761 (0.0567258761)
-931.37213383
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1370037858
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.3844602174 (a.u.)
total exchange computation time: 2.7753510475 s
-154.1280704005
Anderson extrapolation: theta=2.0488299485 (2.0000000000)
-931.37213956
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1370037858
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.3842433149 (a.u.)
total exchange computation time: 2.7763559818 s
-154.1297441849
Anderson extrapolation: theta=0.2505321940 (0.2505321940)
-931.37214603
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1370037858
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.3841837480 (a.u.)
total exchange computation time: 2.7778239250 s
-154.1301488269
Anderson extrapolation: theta=1.6407398229 (1.6407398229)
-931.37214732
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1370037858
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3841037135 (a.u.)
total exchange computation time: 2.7763731480 s
-154.1306288057
Anderson extrapolation: theta=0.3081159348 (0.3081159348)
-931.37214867
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1370037858
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3840975220 (a.u.)
total exchange computation time: 2.7770509720 s
-154.1305985741
Anderson extrapolation: theta=1.1942346603 (1.1942346603)
-931.37214898
-253.055627 50.465895 -160.704543
-133.970682 459.803314 -799.018272
-387.026309 510.269209 -959.722815
1153.790237
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1370037858
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.3841039656 (a.u.)
total exchange computation time: 2.7758159637 s
679.21395853
-1084.36964022
89.68883017
-388.66581015
-174.85538352
78.57800345
551.60419304
0.00000000
-931.37214916
-10.89752856 -4.23208825 6.72659532
-0.00027435 0.00001509 -0.00012045
0.01291357 -0.00404027 -0.00373795
-14.13160191 3.50843486 9.42398687
0.00026670 0.00020672 -0.00020275
-0.00083923 0.02565084 0.00697365
-15.98654824 1.31545375 3.47469799
-0.00005905 0.00004605 -0.00012890
0.02708886 -0.00131382 0.03280902
2.46016038 -19.80612766 12.82456379
0.00028038 -0.00001835 0.00012263
-0.00641469 -0.01550930 -0.02676563
9.61517092 20.39490860 0.95108092
0.00021792 -0.00013716 0.00033767
-0.02439122 0.01301284 0.00881697
-11.92054597 12.61540779 15.09534694
-0.00044024 -0.00016142 0.00018312
0.03317222 -0.00561120 0.01656544
-6.31093170 1.51119627 -12.21742068
0.00019389 -0.00008094 -0.00039299
-0.00146211 -0.02113113 0.01452995
-7.40043429 7.81705332 -5.90876320
-0.00001538 -0.00008127 -0.00004332
0.01386192 -0.01965061 -0.00066293
-7.66539696 -4.40102984 17.83624306
-0.00021898 0.00023884 -0.00006859
0.00420075 -0.01806659 0.00477011
-23.46705216 -4.95921572 -22.54843144
-0.00018531 -0.00045862 -0.00016164
0.00376199 0.01207441 0.01872591
6.63773236 12.78238541 6.05254304
0.00004312 -0.00007908 -0.00004418
0.01422270 -0.02011432 0.02654232
24.68476690 30.39913654 -2.87432171
0.00006785 0.00028006 -0.00009269
0.00303973 -0.02521743 0.01134417
7.91961521 -1.25473317 -14.43529270
0.00003331 0.00021925 -0.00041244
-0.00805200 0.01609313 -0.01484379
-7.22648489 -0.92982380 14.38050086
-0.00043647 -0.00019299 0.00022532
0.01043210 0.02363557 -0.00586216
-1.91845648 -26.23826033 11.32643788
0.00028983 0.00001813 -0.00012595
0.02230281 0.01067405 -0.01682647
-14.18504015 -4.61395718 -7.05323148
0.00030381 0.00023731 0.00014421
0.00014295 0.01275100 0.00203926
-19.99349015 -12.52777870 -17.83227959
0.00012054 -0.00008582 0.00035833
-0.02946925 0.00245126 -0.00482014
22.69503011 3.63000058 3.04468588
0.00022775 0.00005180 -0.00015444
-0.00743841 -0.02603561 -0.00051117
17.77046056 -10.10389550 -14.35433906
-0.00015264 -0.00028917 0.00006393
0.02962297 -0.01486413 0.01621219
-2.13932478 1.89227433 -7.11605362
0.00026797 -0.00016137 0.00028957
0.01752673 0.01925257 -0.01190271
-4.14690621 -3.04120436 -15.62412668
-0.00026003 -0.00005273 0.00000648
0.02111151 0.01245562 0.00627463
13.36761382 17.22343545 -20.16628374
-0.00012874 0.00025193 0.00025256
0.01497386 -0.00222048 0.00395337
-16.38146125 16.06213792 -12.07239081
0.00047508 -0.00004179 -0.00016115
0.02393935 -0.01515206 -0.04180962
1.59528328 14.33223655 7.53990068
0.00062031 0.00048357 -0.00005152
-0.02118126 0.05164198 0.01794863
-5.24386193 -9.58806574 2.09405952
-0.00030458 -0.00009141 0.00024147
0.04764562 -0.05244371 0.03783257
3.07969259 -6.34260759 2.51623813
-0.00005376 -0.00009302 0.00019372
0.03305246 -0.06388264 -0.01313781
10.85277805 4.86502162 4.54870385
-0.00006031 0.00016167 -0.00036204
0.01619348 -0.00324905 0.01280051
-8.52459355 -9.72112933 -2.66176503
-0.00001418 0.00011565 -0.00027803
-0.02793020 0.03777771 -0.00846130
3.15546071 -15.99348058 -13.23867563
0.00004511 -0.00000170 0.00020729
-0.00990198 -0.00003481 0.01841253
4.86599566 -8.43503328 -5.67766151
-0.00011827 -0.00001704 0.00034831
-0.02972582 -0.03652905 0.03943184
18.56493259 0.82574725 24.78498749
-0.00005292 0.00045090 -0.00022765
-0.01336143 -0.00620015 0.00153488
-8.22669262 3.14362892 1.06735799
-0.00046490 -0.00001284 0.00016532
0.00751593 -0.01147571 -0.00770489
-7.85374777 14.21094030 -10.56396144
0.00016741 -0.00000457 0.00028616
-0.00150765 -0.00203826 -0.04227537
1.69384847 11.38038438 -8.97201008
0.00001272 0.00005157 0.00015171
-0.01755522 -0.03292455 -0.04777239
-11.83319930 9.99509352 -13.82206389
0.00024777 0.00018235 -0.00001541
0.02615543 -0.00718038 -0.03361901
7.20565147 4.28173581 14.70283700
-0.00042857 0.00050781 -0.00008172
-0.00521872 -0.02150371 -0.00872056
-14.62932225 9.35483003 -9.28951053
-0.00033702 -0.00042211 0.00042421
-0.01519555 -0.02030454 -0.01173719
8.53548154 8.33987981 -3.09226096
0.00000463 -0.00020543 -0.00002016
-0.05492718 -0.00842198 -0.03388875
13.68823111 -20.39025802 -25.73346338
0.00006808 -0.00010717 -0.00014940
-0.00227290 -0.01128603 -0.04254815
6.34267853 6.49590292 2.67847768
-0.00015769 -0.00001900 -0.00022001
-0.01597029 0.00232343 -0.00070308
19.21392013 -5.77269237 -6.51950902
-0.00010118 -0.00005154 -0.00027120
-0.02738695 0.00887550 0.02062738
-1.72565741 0.07247737 -2.51979237
0.00022626 -0.00019773 -0.00037586
-0.00440740 -0.00466404 0.01653641
2.38563715 -1.91308085 -12.34400893
-0.00026950 0.00015404 0.00041013
0.03641248 0.01814263 -0.01503869
20.50897573 9.36131332 -5.25086362
-0.00047027 -0.00002177 -0.00010548
0.02167369 -0.01846505 0.00789402
-7.46956210 6.47278164 9.42295433
-0.00002206 -0.00007507 0.00010959
-0.00842037 -0.00424739 0.04943907
-2.68489963 -14.60820991 11.56709391
-0.00000698 0.00000306 -0.00025629
0.01179723 -0.00425587 0.00825374
8.14062574 0.41567941 -4.97099741
-0.00005195 -0.00016463 0.00008850
-0.00272761 0.00883711 0.01153622
-0.03076133 -10.04944835 0.49270172
-0.00010146 -0.00023788 -0.00015266
-0.00151294 -0.02642497 -0.00046575
-20.08602542 -1.43884445 4.76957665
-0.00014205 0.00021233 -0.00002647
-0.01633083 0.03166446 -0.02150139
-4.69401988 7.59119201 -23.50813768
0.00002916 -0.00022513 -0.00014103
0.02098874 0.03553652 -0.00087392
2.57377739 2.36586458 -1.36119091
0.00006829 -0.00020504 0.00045198
-0.00639589 0.02004129 -0.00234389
15.51998532 7.55300055 4.67903517
0.00009306 -0.00002478 -0.00009064
0.00383820 -0.00760019 0.01199559
-9.32471615 -4.81686803 7.43273943
0.00057757 0.00024978 0.00038607
-0.00266989 -0.00275213 0.00440689
-10.48071923 -3.73118529 5.00414248
0.00057786 0.00010650 0.00064657
0.00266458 -0.00720758 -0.00050338
-12.90982946 4.70420368 8.80347412
0.00002212 -0.00047098 -0.00066849
0.00003475 0.01324190 0.00258383
-13.44668969 2.04449974 8.66512324
-0.00021243 -0.00025971 -0.00015773
0.00354266 -0.02837410 -0.01017615
-14.85844294 1.44388835 5.03781052
-0.00088079 0.00132797 0.00066787
-0.02490695 -0.00506246 -0.03357553
-17.18113330 -0.01771395 4.02452222
0.00072648 0.00104895 -0.00009330
-0.00153273 0.00731590 -0.00228921
2.80469591 -21.26401666 11.64001999
0.00123382 -0.00041531 -0.00009483
-0.00759716 0.01839139 0.01442958
3.50403403 -20.09856917 14.25269191
-0.00052924 0.00064935 -0.00074874
0.01368056 0.00126715 0.01230375
8.56694945 18.88068526 0.98517603
-0.00042387 0.00065304 0.00104282
0.00820127 -0.00495414 -0.00681761
8.50633409 21.59039447 1.90357577
-0.00077081 -0.00056386 0.00040688
0.01129361 -0.00291745 -0.00876014
-10.70790779 12.08944853 16.42706419
-0.00094721 -0.00086366 -0.00020687
-0.01085061 0.00156672 -0.01263942
-12.54001960 14.15839369 15.78990927
0.00016296 -0.00044380 -0.00004024
-0.00918123 0.01787172 -0.00005441
-5.52719326 0.17865917 -13.27893695
0.00096128 -0.00018836 -0.00036070
-0.01205597 0.01359559 0.01882314
-6.79387924 0.76509310 -10.46117339
-0.00040748 -0.00037133 0.00032298
0.01335758 0.00491674 -0.03421214
-6.76568523 6.39480134 -4.89042154
-0.00038527 0.00013356 -0.00050739
-0.00392978 0.01442285 -0.00915037
-9.14709224 7.79715235 -5.47704847
0.00043887 0.00039392 0.00017916
-0.01524558 0.00177685 0.00020242
-8.61142168 -3.43048928 19.02969389
0.00095423 -0.00027534 -0.00023263
-0.00216232 0.01056815 0.00313004
-7.72825638 -6.07803308 18.57417594
-0.00020579 0.00087011 -0.00035129
-0.00247666 -0.00503382 -0.00122187
-23.18807793 -3.32893653 -23.32820400
0.00007442 0.00047715 0.00006080
-0.00381719 0.00194254 -0.01471889
-23.18866859 -4.46158849 -20.78736787
0.00072615 -0.00068881 -0.00034741
-0.00675902 -0.01163791 -0.01006384
6.66581603 13.28035789 4.33352090
-0.00051919 0.00021116 0.00009490
0.00836932 0.00450588 -0.02145936
8.12506222 11.64395935 6.41202084
-0.00017810 0.00053585 0.00055855
-0.01859902 0.01614161 -0.00556614
24.62837905 28.68941085 -2.10816636
0.00060376 -0.00012176 -0.00044845
0.00164376 0.02050553 -0.00894596
23.88301406 31.54028222 -1.67639023
0.00076553 -0.00016951 -0.00058100
-0.00094937 0.00422310 0.00471009
9.44507607 -2.30430460 -14.59793390
-0.00005499 0.00037181 -0.00140177
0.00195060 -0.00680747 0.00389572
7.71641947 -0.84444015 -12.71406943
0.00079938 -0.00085345 0.00085522
-0.00511244 -0.00576772 0.02039280
-7.35336690 -0.13802169 16.09114215
0.00006792 0.00055537 -0.00065111
-0.00576140 -0.01759834 -0.01946193
-8.39122638 -2.28607004 14.05254466
0.00027475 0.00114550 -0.00086766
-0.00078083 0.00186009 0.01687627
-2.54882813 -26.68310967 12.99647228
-0.00056837 0.00014725 0.00024419
-0.00986047 -0.00507368 0.00299937
-3.11724122 -25.90932832 9.99303425
0.00024268 0.00006040 0.00068924
-0.00808131 -0.00306547 0.00489607
-14.11264019 -2.88489397 -6.34661007
-0.00127184 -0.00005964 0.00028326
-0.00232680 -0.00768420 -0.00384472
-14.98599936 -4.50246263 -8.69427198
0.00021511 -0.00019449 0.00001528
0.00282691 -0.00178785 -0.00356699
-19.08576792 -11.40446314 -16.74968488
-0.00180399 0.00024059 -0.00074633
0.01825263 0.00543029 0.00441784
-18.86704532 -13.83672044 -18.34847513
0.00049031 0.00011788 -0.00036153
0.02105496 -0.00552343 0.00025297
23.41210448 3.24646916 1.32831722
0.00110982 -0.00112994 0.00014177
0.00339128 0.01980343 0.01359563
22.94894883 5.22234229 3.85539857
-0.00070134 -0.00031920 0.00079856
0.00695381 0.00677335 -0.00778379
16.34447051 -9.79583030 -13.32339798
0.00051071 -0.00092892 -0.00089588
-0.02151341 0.00873842 0.01447539
17.33606422 -9.69168835 -16.02114834
-0.00109815 -0.00087379 0.00013195
-0.00865515 0.01004288 -0.03042678
-0.56000778 2.45924699 -7.99163080
-0.00017207 -0.00077829 -0.00038578
-0.01065254 -0.00738234 0.01128589
-2.40439746 0.30461814 -7.93106282
0.00102999 -0.00047961 0.00141271
-0.01017866 -0.01141533 -0.00423698
-5.65944231 -3.19950742 -16.55641750
0.00049735 -0.00076075 -0.00012702
-0.01872150 -0.00641975 -0.01177704
-3.19659577 -1.86230568 -16.69107917
-0.00078698 0.00053583 0.00013739
-0.00459538 -0.00252533 0.00318630
12.87187329 18.75722622 -21.02969167
0.00039889 0.00027508 0.00112926
-0.00647870 -0.00215476 0.00088020
11.88766163 16.14502950 -20.21901432
-0.00006246 -0.00074909 0.00073529
-0.00420318 0.00117151 -0.00604421
-15.28589522 15.45263006 -13.61777183
-0.00014996 0.00048727 -0.00014708
-0.02571018 0.01764165 0.04219106
-17.89036778 15.10342322 -12.53805698
0.00082825 0.00059574 0.00081296
0.00024677 -0.00313220 0.00849507
2.70375474 15.17876107 6.32707907
0.00061084 -0.00042901 -0.00094075
-0.00529363 -0.01159408 -0.00463795
0.59985574 15.84325040 8.25032102
0.00013329 -0.00002487 0.00043249
0.01622333 -0.04142033 -0.01459001
-6.25255110 -8.46149747 1.27780236
0.00097817 -0.00008399 -0.00024040
-0.03209645 0.04903397 -0.03006288
-3.45472813 -9.29231480 1.66198692
-0.00012918 -0.00059652 0.00001045
-0.00935981 -0.00180479 -0.00272904
2.53806534 -4.74941689 2.75968573
-0.00036798 -0.00154667 0.00004812
-0.02775473 0.07797871 0.01922811
4.47505721 -6.10385914 1.34530651
0.00008575 -0.00098312 -0.00019707
0.00467121 -0.01149990 0.00142861
9.30085827 5.77085099 4.33180133
0.00037634 -0.00069307 0.00013128
-0.01017988 0.00824733 -0.00920711
12.20125187 6.13066787 4.72742977
-0.00025620 0.00055196 0.00011918
-0.00208492 -0.00424487 -0.00047195
-7.66384231 -11.13081130 -2.11746241
0.00092002 0.00036910 -0.00080443
0.03721935 -0.04672211 0.00459408
-9.76385939 -9.56675594 -1.33814003
0.00027283 0.00072038 -0.00041492
-0.01254900 0.01140928 -0.00018815
4.60756764 -16.66831858 -14.21941093
0.00004660 0.00032818 -0.00093908
-0.01926920 0.00088465 0.03679444
2.88592871 -16.64992244 -11.42530666
0.00141030 -0.00017957 -0.00032143
0.02398193 0.00140779 -0.05462949
5.83583849 -7.01221005 -6.14011046
-0.00006841 0.00051413 0.00023933
0.01831357 0.02735941 0.00441886
4.88035031 -8.64605856 -3.78565050
0.00026383 0.00113534 0.00017783
0.00621859 0.01167814 -0.03899549
16.85711008 1.47758298 24.45044068
-0.00033890 -0.00076581 0.00043441
0.00787664 0.00191695 0.00244902
19.62960200 2.27165596 25.19317451
0.00107968 -0.00003420 -0.00106878
0.00065578 0.00087709 -0.00381949
-9.66257804 3.08897296 2.19898928
-0.00090796 0.00071568 0.00081883
-0.00450351 0.01179408 0.00636932
-7.76460562 4.88479629 0.82266663
0.00045944 -0.00053271 -0.00030697
0.00321565 0.00476687 0.00641216
-6.59128623 14.62655634 -9.41599060
0.00074236 -0.00075209 0.00081708
0.02780606 0.00991688 0.02616818
-9.30579510 13.85773197 -9.58660707
0.00096254 0.00008084 -0.00018514
-0.02413746 -0.00893258 0.01497833
0.07018145 10.93917382 -8.29223936
0.00010530 -0.00037357 -0.00017857
0.00190591 0.00347824 0.01336298
2.45076816 12.61597298 -7.97670434
0.00071585 0.00013597 -0.00001124
0.01821986 0.02745697 0.03205863
-10.40089602 8.85236855 -13.65992580
-0.00028667 0.00069769 -0.00005072
0.00371172 0.00359205 -0.00937649
-12.52569873 9.82661677 -12.21257386
0.00053994 0.00027412 -0.00101265
-0.02996432 0.00191649 0.04146264
7.13395005 6.00226051 15.15122245
0.00013404 -0.00059339 0.00104495
0.00339671 0.02616579 -0.00514086
7.26962266 4.14415442 12.85231873
-0.00058057 -0.00071697 -0.00008375
0.00505569 0.00303279 0.00802886
-14.09327701 10.74816327 -8.27208877
0.00059124 0.00066044 -0.00032817
0.01545311 0.01445173 0.01305882
-16.37486818 9.73804866 -9.60941860
0.00087221 0.00071054 -0.00056720
-0.00777122 -0.00232474 -0.00474751
8.73399396 9.78269512 -2.04516051
-0.00037521 0.00029706 0.00001156
0.00063150 0.01807517 0.00895078
6.81652629 8.69292690 -3.99386867
0.00027497 -0.00082435 -0.00199889
0.05212254 -0.00708291 0.02981547
12.12301031 -20.45420599 -26.69970365
0.00055124 0.00036418 0.00019920
0.00289400 0.00290029 0.01058744
13.36701132 -19.69580669 -24.09391248
0.00070644 -0.00013842 0.00009945
-0.00215989 0.00141298 0.02134056
5.63371245 4.79817012 2.69950962
0.00050418 0.00141052 0.00035778
0.00551067 -0.00721298 0.00220690
6.30341636 6.95967089 0.91704604
-0.00011808 0.00138141 -0.00027608
0.00713568 0.00261065 -0.00265616
20.52114975 -6.59814572 -5.57788927
-0.00054797 0.00065730 -0.00086478
0.00081833 -0.00157064 0.00499242
17.89981069 -5.12322802 -5.29890627
-0.00058161 -0.00046384 0.00000946
0.02142280 -0.00732820 -0.01812901
-3.09665955 0.08738102 -1.24701174
-0.00020819 0.00023533 0.00066225
0.01532141 0.01063897 -0.01650157
-2.11462821 0.99234320 -4.08545054
-0.00114804 0.00048934 0.00013286
-0.01090836 -0.00483133 -0.00189138
3.49741830 -3.34533694 -12.09566197
0.00058838 -0.00073706 0.00009185
0.01386777 -0.00387101 -0.00206522
0.88815366 -2.35488982 -11.50780492
0.00000549 0.00041324 -0.00020026
-0.04204247 -0.01565989 0.01637587
20.20386259 8.23397846 -6.63849180
-0.00113283 0.00074443 0.00095862
-0.01233895 -0.00189166 -0.01080954
22.15199004 8.58894775 -4.61461165
-0.00110315 -0.00027530 -0.00061954
-0.01688040 0.01919089 -0.00381431
-7.59110274 4.69941421 8.92772472
0.00000764 0.00009644 -0.00019607
0.00500859 -0.00365577 0.00268030
-7.32750297 6.28341546 11.33491141
-0.00039421 -0.00023487 -0.00048262
-0.00741873 0.00600394 -0.04307158
-3.01866771 -16.40749273 11.80546532
0.00033133 0.00000302 -0.00081078
-0.00440770 0.01240410 -0.00381068
-4.22371121 -13.66733002 11.80640666
0.00093627 0.00056221 -0.00025092
-0.00356402 -0.00815704 -0.00037252
8.20087038 0.25223362 -3.12878550
0.00042971 0.00079090 -0.00098536
-0.00037446 0.00452809 -0.01462868
7.64922494 2.21696117 -5.56147881
0.00038913 -0.00041754 0.00028298
0.00945299 -0.02910321 0.00587351
1.21138685 -10.63463284 1.76882721
0.00040895 -0.00030860 -0.00086065
-0.01313372 0.01067555 -0.00309088
0.28652204 -8.32486519 0.04184957
-0.00062010 0.00019682 0.00061815
0.00701483 0.01020829 0.00174790
-19.88520603 -1.40935625 6.61247771
-0.00030363 0.00039072 0.00068306
-0.00483044 0.00024715 0.00271165
-20.92324480 0.22302701 4.24142509
-0.00088123 0.00051048 0.00006162
0.01621648 -0.02986888 0.01689753
-3.64334303 8.23559955 -24.98207526
0.00043201 0.00180527 -0.00055846
-0.01573946 -0.01099946 0.01516188
-4.41951561 9.03523834 -22.33527082
0.00034308 0.00094505 -0.00091703
-0.00527623 -0.02205946 -0.00895775
3.65402878 0.95101750 -0.95324578
0.00008178 0.00071146 0.00017965
-0.01124971 -0.00051699 -0.00843977
0.93217192 1.91741747 -2.20035774
0.00035306 -0.00129479 0.00009214
0.01852137 -0.01994885 0.01515874
16.20885244 7.52516722 6.42674442
-0.00074492 -0.00049072 -0.00017736
-0.01161438 0.00592964 -0.02061807
15.82030359 9.19763849 3.96641312
-0.00039484 -0.00164893 0.00011122
0.00346139 0.00492838 0.00099582
-0.35329843 -11.81695380 -13.36805718
-0.00000990 0.00000870 0.00024669
0.00737770 -0.00224913 -0.00025840
-13.93304372 14.53350420 22.12643964
-0.00001467 -0.00010095 0.00014452
0.00042759 -0.00278081 0.00146074
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02654701
0.34560215
460.49753676
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.4048253635 (a.u.)
total exchange computation time: 2.7369570732 s
-154.1906318906
-931.36579115
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.4042228924 (a.u.)
total exchange computation time: 2.7387781143 s
-154.1957667636
Anderson extrapolation: theta=1.3653496506 (1.3653496506)
-931.36603175
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.4032926771 (a.u.)
total exchange computation time: 2.7370169163 s
-154.2034470735
Anderson extrapolation: theta=0.0576350718 (0.0576350718)
-931.36617810
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.4031539974 (a.u.)
total exchange computation time: 2.7365200520 s
-154.2044779953
Anderson extrapolation: theta=2.0640415065 (2.0000000000)
-931.36618457
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.4028511236 (a.u.)
total exchange computation time: 2.7366831303 s
-154.2066787719
Anderson extrapolation: theta=0.2605215578 (0.2605215578)
-931.36619224
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.4027672786 (a.u.)
total exchange computation time: 2.7374689579 s
-154.2072434138
Anderson extrapolation: theta=1.5870794343 (1.5870794343)
-931.36619395
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.4026559473 (a.u.)
total exchange computation time: 2.7378048897 s
-154.2079416820
Anderson extrapolation: theta=0.3191393776 (0.3191393776)
-931.36619587
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.4026434940 (a.u.)
total exchange computation time: 2.7376949787 s
-154.2079669289
Anderson extrapolation: theta=1.1494309341 (1.1494309341)
-931.36619638
-208.618891 50.464014 -160.708292
-133.935616 459.828090 -799.066332
-342.554506 510.292104 -959.774624
1139.696868
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.4026472944 (a.u.)
total exchange computation time: 2.7378871441 s
679.51804618
-1085.00345243
89.65957267
-388.23242459
-174.90529130
78.92706122
551.60419304
0.00000000
-931.36619677
-10.90159394 -4.23187748 6.72477420
-0.00026627 0.00001216 -0.00012089
0.01849680 -0.00736897 0.00200109
-14.12760457 3.51163462 9.42097257
0.00026589 0.00021884 -0.00019912
-0.00231291 0.02149162 0.00711527
-15.98732958 1.31613947 3.47289097
-0.00004382 0.00004689 -0.00011224
0.03216132 0.00456081 0.03201315
2.46434128 -19.80646280 12.82630004
0.00027567 -0.00002657 0.00010612
-0.01189218 -0.01645170 -0.03746570
9.61834568 20.39290133 0.95617999
0.00020491 -0.00012982 0.00034263
-0.02620508 0.01554899 0.01047881
-11.92702156 12.61296487 15.09815761
-0.00042331 -0.00016502 0.00019070
0.03266478 -0.00838928 0.01290103
-6.30802894 1.50990069 -12.22325948
0.00019310 -0.00009244 -0.00038502
-0.00160876 -0.02358267 0.01647233
-7.40061148 7.81575850 -5.90941550
-0.00000789 -0.00009063 -0.00004438
0.01524556 -0.01676239 -0.00349106
-7.66866549 -4.39751698 17.83523259
-0.00021567 0.00022949 -0.00006794
0.00866510 -0.01826826 -0.00223217
-23.46981737 -4.96604846 -22.55078374
-0.00018313 -0.00045111 -0.00015286
0.00473801 0.01715127 0.01541265
6.63843395 12.78112158 6.05198266
0.00004983 -0.00008887 -0.00003045
0.01187792 -0.01794982 0.02686308
24.68579643 30.40324020 -2.87566836
0.00007016 0.00026578 -0.00008800
0.00594444 -0.03032558 0.00690762
7.92008377 -1.25138234 -14.44153650
0.00002875 0.00022817 -0.00041795
-0.00969211 0.01859956 -0.00658918
-7.23299176 -0.93262749 14.38385799
-0.00042908 -0.00017902 0.00022159
0.01833687 0.03067536 -0.00862221
-1.91402302 -26.23794719 11.32448374
0.00030133 0.00002309 -0.00013275
0.02244261 0.00862310 -0.00962059
-14.18048245 -4.61034836 -7.05106042
0.00030360 0.00024338 0.00014483
-0.00095639 0.01086178 0.00034228
-19.99179574 -12.52905652 -17.82692317
0.00010414 -0.00008696 0.00035373
-0.03431896 -0.00689256 -0.01309712
22.69841768 3.63067721 3.04236727
0.00022381 0.00003804 -0.00015481
-0.00789041 -0.02748400 -0.00092252
17.76828523 -10.10829038 -14.35331754
-0.00013559 -0.00029703 0.00007043
0.03666619 -0.01569210 0.00905628
-2.13523757 1.88992810 -7.11175605
0.00027673 -0.00015116 0.00028365
0.01653996 0.02043025 -0.01108186
-4.15072520 -3.04194723 -15.62400535
-0.00024833 -0.00004608 0.00001017
0.02438220 0.01340824 0.00809244
13.36574046 17.22720581 -20.16248015
-0.00012121 0.00024920 0.00025519
0.01431079 -0.00838758 0.00627917
-16.37424266 16.06145269 -12.07496936
0.00048821 -0.00004843 -0.00018171
0.02712517 -0.01068815 -0.03813061
1.60450624 14.33968928 7.53919716
0.00060950 0.00050967 -0.00004236
-0.02086488 0.04986893 0.01765189
-5.24824687 -9.58963923 2.09782746
-0.00027931 -0.00011892 0.00026128
0.05061902 -0.05450262 0.03922840
3.07901368 -6.34424927 2.51909319
-0.00003529 -0.00012923 0.00018626
0.03878544 -0.07695289 -0.01585455
10.85193581 4.86743420 4.54332270
-0.00005034 0.00015938 -0.00035515
0.02257997 -0.00566111 0.01398221
-8.52491393 -9.71924882 -2.66596810
-0.00002792 0.00013468 -0.00028273
-0.02553045 0.03623359 -0.00980919
3.15609917 -15.99350627 -13.23549519
0.00004080 -0.00000174 0.00021550
-0.00687032 -0.00009835 0.01348796
4.86410697 -8.43542982 -5.67228469
-0.00013270 -0.00003448 0.00036780
-0.02639096 -0.03128192 0.03634291
18.56408719 0.83248679 24.78157869
-0.00005919 0.00044716 -0.00022679
-0.01099393 -0.00834968 0.00181157
-8.23363708 3.14339201 1.06980814
-0.00046211 -0.00001928 0.00016212
0.00332645 -0.01356904 -0.00474210
-7.85124239 14.21086393 -10.55983216
0.00016940 -0.00000477 0.00026451
0.00924643 0.00123199 -0.04188505
1.69397156 11.38103086 -8.96991873
0.00000428 0.00003526 0.00012738
-0.01525520 -0.03049013 -0.04682427
-11.82938188 9.99780110 -13.82242479
0.00026105 0.00017969 -0.00003481
0.02549691 -0.00316362 -0.04180366
7.19920277 4.28927006 14.70157749
-0.00043114 0.00049447 -0.00008644
-0.00477109 -0.03038073 -0.00963279
-14.63443611 9.34842006 -9.28319272
-0.00034293 -0.00043162 0.00041919
-0.00778875 -0.01668861 -0.00776806
8.53533918 8.33676585 -3.09269410
-0.00002367 -0.00020922 -0.00003749
-0.05515908 -0.00629216 -0.03347964
13.68924360 -20.39190912 -25.73586848
0.00006794 -0.00011281 -0.00017041
0.00170105 -0.01065082 -0.03917197
6.34025163 6.49562692 2.67517480
-0.00016468 -0.00001465 -0.00022100
-0.01122876 0.01456416 -0.00314225
19.21229681 -5.77343128 -6.52349751
-0.00011714 -0.00004594 -0.00026132
-0.03467064 0.01289959 0.01779033
-1.72228056 0.06949344 -2.52536648
0.00022254 -0.00019981 -0.00036655
-0.01003795 -0.00344651 0.01965726
2.38173503 -1.91070026 -12.33791494
-0.00024830 0.00016209 0.00040208
0.04604916 0.01317705 -0.01629350
20.50200533 9.36091548 -5.25241531
-0.00045929 -0.00002953 -0.00009983
0.02099819 -0.01169601 0.01404847
-7.46992554 6.47163928 9.42478883
-0.00002650 -0.00007710 0.00013404
-0.00884008 -0.00365387 0.04566524
-2.68495889 -14.60818041 11.56328147
0.00000021 0.00000073 -0.00025228
0.01620087 -0.00480791 0.00732240
8.13983590 0.41324408 -4.96962547
-0.00005337 -0.00016006 0.00009246
-0.00278289 0.00894372 0.00387079
-0.03228912 -10.05311842 0.49040998
-0.00010227 -0.00025102 -0.00015312
-0.00161504 -0.02468005 -0.00130012
-20.08821923 -1.43553729 4.76909663
-0.00015070 0.00022911 -0.00003642
-0.01730013 0.03357297 -0.01717076
-4.69350158 7.58795217 -23.51025651
0.00004099 -0.00020535 -0.00014229
0.02502741 0.04139048 -0.00404071
2.57477707 2.36286628 -1.35442030
0.00006388 -0.00019385 0.00045036
-0.01074301 0.02348093 -0.00393679
15.52139603 7.55259958 4.67772189
0.00009408 -0.00003188 -0.00008371
0.00012017 -0.02000310 0.01494861
-9.31613447 -4.81320572 7.43866560
0.00055476 0.00024272 0.00039988
-0.00849164 -0.00070309 0.00234966
-10.47196963 -3.72980870 5.01382565
0.00058948 0.00007921 0.00063667
0.00302030 -0.00615194 -0.00434293
-12.90949659 4.69754470 8.79352588
0.00002714 -0.00041203 -0.00065988
0.00242460 0.01561419 0.00163379
-13.44976762 2.03973469 8.66244542
-0.00020001 -0.00037266 -0.00019734
0.00253826 -0.02691747 -0.00921421
-14.87241807 1.46365279 5.04679965
-0.00098225 0.00130608 0.00052825
-0.02475553 -0.00565581 -0.03476960
-17.17028303 -0.00175545 4.02305255
0.00070967 0.00106749 -0.00009858
-0.00669586 0.00175933 -0.00029502
2.82297039 -21.26968281 11.63903975
0.00120031 -0.00033575 -0.00003259
-0.00880773 0.02055520 0.01603692
3.49651461 -20.08879010 14.24183786
-0.00046041 0.00065149 -0.00067999
0.02001341 -0.00021763 0.02135026
8.56084277 18.89032910 1.00060936
-0.00039068 0.00062762 0.00101354
0.00804523 -0.00749280 -0.00751393
8.49511800 21.58184723 1.90941057
-0.00072054 -0.00057485 0.00036953
0.01331622 -0.00246262 -0.00952482
-10.72244848 12.07654157 16.42357379
-0.00098796 -0.00085832 -0.00025451
-0.00909361 0.00104821 -0.01067971
-12.53785647 14.15228433 15.78930407
0.00012280 -0.00036371 -0.00003694
-0.01048016 0.02133213 0.00166999
-5.51314346 0.17625043 -13.28377061
0.00090973 -0.00013028 -0.00028132
-0.01318065 0.01483433 0.02003347
-6.79958207 0.75967381 -10.45737707
-0.00035031 -0.00034907 0.00017747
0.01462440 0.00598081 -0.03701568
-6.77158463 6.39724663 -4.89831284
-0.00039786 0.00018631 -0.00054020
-0.00223448 0.01140047 -0.00690651
-9.14097631 7.80311557 -5.47435489
0.00037049 0.00040156 0.00018138
-0.01822929 0.00196628 0.00088705
-8.59717446 -3.43429557 19.02630040
0.00093667 -0.00022193 -0.00020887
-0.00643477 0.01557667 0.00850148
-7.73141907 -6.06513574 18.56886917
-0.00021606 0.00083934 -0.00035273
-0.00255162 -0.01002614 0.00051664
-23.18707859 -3.32171970 -23.32774296
0.00005679 0.00047440 0.00000505
-0.00481539 -0.00328850 -0.01257125
-23.17798344 -4.47227725 -20.79288741
0.00069835 -0.00073599 -0.00038610
-0.00685232 -0.01145561 -0.00887687
6.65828464 13.28366343 4.33428681
-0.00048377 0.00022865 0.00000751
0.00897163 0.00405529 -0.02131856
8.12182073 11.65249167 6.42022858
-0.00025000 0.00059884 0.00053448
-0.01659567 0.01469634 -0.00621705
24.63748577 28.68821276 -2.11516730
0.00060977 -0.00003534 -0.00048510
0.00130122 0.02180041 -0.00899390
23.89446796 31.53786895 -1.68496086
0.00075584 -0.00014523 -0.00055330
-0.00379503 0.00766141 0.00884570
9.44431105 -2.29893607 -14.61884112
-0.00004612 0.00034343 -0.00138538
0.00239136 -0.00708628 0.00413024
7.72825347 -0.85741867 -12.70061621
0.00078079 -0.00088098 0.00092217
-0.00398588 -0.00770663 0.01238112
-7.35252462 -0.13023037 16.08077905
0.00004221 0.00048468 -0.00072402
-0.00682434 -0.01700530 -0.01622570
-8.38712905 -2.26883054 14.04004685
0.00025742 0.00113786 -0.00080060
-0.00770382 -0.00560028 0.01595294
-2.55765578 -26.68105640 13.00022706
-0.00060409 0.00012839 0.00024918
-0.00762752 -0.00415839 -0.00055905
-3.11384867 -25.90851625 10.00352285
0.00020464 0.00004968 0.00070210
-0.01053688 -0.00218417 0.00139752
-14.13178904 -2.88602410 -6.34247906
-0.00128015 -0.00008744 0.00026902
-0.00174059 -0.00592301 -0.00312464
-14.98268612 -4.50543482 -8.69415212
0.00022759 -0.00020190 0.00000255
0.00328341 -0.00183680 -0.00266115
-19.11226839 -11.40068783 -16.76074449
-0.00171704 0.00027646 -0.00071442
0.02430948 0.01212460 0.01120099
-18.85904542 -13.83512157 -18.35389026
0.00057362 0.00010042 -0.00035765
0.01972480 -0.00302096 0.00164423
23.42885570 3.23012688 1.33086036
0.00112320 -0.00104622 0.00019833
0.00315719 0.02117904 0.01409311
22.93864185 5.21776180 3.86713838
-0.00067187 -0.00029114 0.00076572
0.00747187 0.00696365 -0.00828827
16.35147187 -9.80949637 -13.33639255
0.00040682 -0.00089036 -0.00082335
-0.02933910 0.01013902 0.02102663
17.31932674 -9.70448739 -16.02010146
-0.00113162 -0.00083384 0.00000862
-0.00772782 0.00950860 -0.02994317
-0.56291529 2.44734640 -7.99707174
-0.00021221 -0.00080544 -0.00034013
-0.00899674 -0.00590824 0.01106454
-2.38925950 0.29707413 -7.91000204
0.00098667 -0.00053136 0.00139357
-0.01102814 -0.01391671 -0.00512982
-5.65255572 -3.21111537 -16.55868368
0.00041352 -0.00078855 -0.00017947
-0.02231290 -0.00718751 -0.01389775
-3.20854130 -1.85434560 -16.68892062
-0.00080493 0.00052527 0.00015051
-0.00419032 -0.00264594 0.00323436
12.87765816 18.76128639 -21.01272575
0.00036828 0.00027173 0.00112853
-0.00850607 0.00051280 -0.00123901
11.88659600 16.13382903 -20.20817012
-0.00007370 -0.00073733 0.00070973
-0.00130267 0.00458590 -0.00646730
-15.28893251 15.46047966 -13.61868509
-0.00025185 0.00055736 0.00002138
-0.02416576 0.01667013 0.04027032
-17.87793651 15.11226340 -12.52560230
0.00081931 0.00057612 0.00084393
-0.00461958 -0.00647229 0.00666745
2.71275518 15.17197065 6.31282572
0.00058650 -0.00047511 -0.00095666
-0.00662292 -0.01097338 -0.00315021
0.60235220 15.84160814 8.25636124
0.00020119 -0.00019216 0.00037085
0.01701635 -0.04046875 -0.01558258
-6.23886216 -8.46125484 1.27327510
0.00084188 0.00012175 -0.00036755
-0.03461500 0.05167904 -0.03217601
-3.45695260 -9.30131794 1.66205998
-0.00016830 -0.00060483 0.00000081
-0.00979164 -0.00226404 -0.00198870
2.53169513 -4.77022750 2.76099674
-0.00048946 -0.00120266 0.00012944
-0.03170795 0.09041982 0.02057863
4.47648653 -6.11895840 1.34239422
0.00010158 -0.00102860 -0.00018852
0.00307785 -0.01076253 0.00275574
9.30619140 5.76070766 4.33348838
0.00032309 -0.00065239 0.00009206
-0.01588310 0.01166476 -0.00999049
12.19734493 6.13881726 4.72920306
-0.00026597 0.00053286 0.00011662
-0.00269648 -0.00510707 -0.00078115
-7.64890148 -11.12670647 -2.12938814
0.00106802 0.00018289 -0.00078583
0.03522823 -0.04443264 0.00451411
-9.76015150 -9.55560056 -1.34436962
0.00022059 0.00076517 -0.00041256
-0.01302152 0.01051388 0.00134573
4.60767614 -16.66336884 -14.23236968
-0.00003620 0.00033394 -0.00078558
-0.02125957 0.00193818 0.03834574
2.90781806 -16.65257281 -11.43180218
0.00150584 -0.00017561 -0.00053781
0.02278659 0.00053001 -0.05128835
5.83537356 -7.00365967 -6.13638506
0.00000112 0.00061807 0.00025841
0.01572322 0.02351923 0.00492172
4.88449832 -8.62867054 -3.78417804
0.00028816 0.00118046 0.00002342
0.00569298 0.01040884 -0.03658658
16.85226801 1.46615459 24.45703181
-0.00030862 -0.00075395 0.00044407
0.00694407 0.00388589 0.00228092
19.64581727 2.27116982 25.17702583
0.00107955 -0.00002991 -0.00108458
-0.00071779 0.00122586 -0.00391566
-9.67633538 3.10006961 2.21146688
-0.00091791 0.00076486 0.00083783
-0.00037124 0.01227958 0.00293176
-7.75761555 4.87695172 0.81825864
0.00047291 -0.00051007 -0.00028071
0.00338022 0.00631360 0.00644091
-6.57929877 14.61557885 -9.40293255
0.00084653 -0.00071511 0.00091499
0.02318534 0.00818623 0.02176002
-9.29209669 13.85867087 -9.58892514
0.00085127 0.00004145 -0.00011579
-0.03032867 -0.01035073 0.01896857
0.07181937 10.93367689 -8.29450844
0.00011253 -0.00035847 -0.00012261
0.00163285 0.00391203 0.01402894
2.46206419 12.61885394 -7.97589052
0.00078591 0.00024248 0.00011659
0.01607382 0.02468050 0.03051566
-10.40508228 8.86294403 -13.66097385
-0.00026268 0.00070555 -0.00008853
0.00802979 0.00025303 -0.00913265
-12.51851789 9.83078729 -12.22649313
0.00040983 0.00028034 -0.00082648
-0.03372438 0.00112675 0.04967104
7.13606478 5.99416145 15.16673921
0.00014755 -0.00047356 0.00102422
0.00321566 0.03248997 -0.00500661
7.26106897 4.13349280 12.85130846
-0.00055977 -0.00070025 -0.00004915
0.00512924 0.00515002 0.00890771
-14.08393481 10.75851277 -8.27661119
0.00065116 0.00071020 -0.00028110
0.01387645 0.00990560 0.00998146
-16.36202312 9.74863555 -9.61807210
0.00082880 0.00070295 -0.00058862
-0.01347939 -0.00138995 -0.00573657
8.72838523 9.78770496 -2.04471282
-0.00037496 0.00036536 0.00004291
-0.00051112 0.01535847 0.00639524
6.82224809 8.68034466 -4.02293831
0.00049081 -0.00085155 -0.00187251
0.05353158 -0.00623366 0.03204494
12.13136759 -20.44865447 -26.69639126
0.00055518 0.00037574 0.00023796
-0.00096535 0.00275913 0.00838648
13.37754180 -19.69783967 -24.09176671
0.00069741 -0.00013340 0.00018494
-0.00226491 0.00104114 0.02050539
5.64144395 4.81910694 2.70494396
0.00051710 0.00136032 0.00036422
0.00081598 -0.01735953 0.00094473
6.30186375 6.98047208 0.91282342
-0.00008955 0.00138800 -0.00028020
0.00683320 0.00061568 0.00063854
20.51295524 -6.58833438 -5.59070805
-0.00053248 0.00064340 -0.00083613
0.00676701 -0.00523172 0.00903307
17.89174294 -5.13041022 -5.29931987
-0.00049178 -0.00049424 -0.00006705
0.02255240 -0.00755137 -0.01932427
-3.09931288 0.09123694 -1.23758365
-0.00013597 0.00027778 0.00058773
0.02002983 0.01014065 -0.01997601
-2.13218304 0.99953522 -4.08351563
-0.00118948 0.00046822 0.00012724
-0.00937785 -0.00550498 -0.00085966
3.50666900 -3.35651148 -12.09434745
0.00063349 -0.00073950 0.00008138
0.00821302 0.00267836 -0.00306099
0.88694774 -2.34917106 -11.51030697
-0.00017309 0.00034638 -0.00012905
-0.04537348 -0.01707037 0.01847938
20.18649203 8.24508690 -6.62444371
-0.00118740 0.00072480 0.00089959
-0.01437515 -0.00771398 -0.01808690
22.13492555 8.58540625 -4.62402159
-0.00116598 -0.00019866 -0.00063206
-0.01387792 0.01832783 -0.00231779
-7.59083469 4.70074875 8.92486579
0.00002807 0.00008042 -0.00018547
0.00499326 -0.00418326 0.00251051
-7.33364342 6.28007635 11.32635221
-0.00042326 -0.00021057 -0.00065089
-0.00680204 0.00589411 -0.03929608
-3.01383284 -16.40706732 11.79318689
0.00031159 0.00005244 -0.00082570
-0.00525446 0.01178484 -0.00349443
-4.20977633 -13.65914686 11.80263151
0.00091394 0.00053129 -0.00025130
-0.00736645 -0.00697631 0.00018415
8.20730460 0.26423592 -3.14401418
0.00042889 0.00080685 -0.00102775
-0.00003085 0.00327706 -0.00612044
7.65535153 2.20980628 -5.55705417
0.00042630 -0.00053326 0.00030479
0.00874096 -0.02754390 0.00480596
1.21711863 -10.63893472 1.75582276
0.00035550 -0.00026553 -0.00087166
-0.01302801 0.01040550 -0.00230072
0.27743554 -8.32160004 0.05117535
-0.00059187 0.00023596 0.00062527
0.00680257 0.00894971 0.00173986
-19.88990855 -1.40348788 6.62280665
-0.00032425 0.00039128 0.00068458
-0.00526279 0.00002497 -0.00196504
-20.93596630 0.22976893 4.24286724
-0.00081209 0.00038443 0.00013170
0.01762866 -0.03183286 0.01740697
-3.63734520 8.26234161 -24.98998759
0.00036168 0.00175286 -0.00049044
-0.01868837 -0.01465867 0.01813439
-4.41453105 9.04873809 -22.34930073
0.00031929 0.00084998 -0.00095337
-0.00637202 -0.02447679 -0.00883375
3.65491072 0.96167363 -0.95080967
0.00004434 0.00069980 0.00014815
-0.00707695 -0.00519292 -0.00697766
0.93803541 1.89738440 -2.19851109
0.00042868 -0.00137419 0.00015439
0.01849334 -0.01891848 0.01531304
16.19732271 7.51798818 6.42345219
-0.00078969 -0.00046566 -0.00025700
-0.01029899 0.00633801 -0.01836505
15.81448703 9.17305559 3.96811191
-0.00037589 -0.00160446 0.00010524
0.00581713 0.01683929 -0.00392339
-0.35342712 -11.81682931 -13.36435758
-0.00000722 0.00000791 0.00024658
0.00759246 -0.00214972 -0.00032491
-13.93326308 14.53198515 22.12861004
-0.00001459 -0.00010161 0.00014486
0.00028248 -0.00292246 0.00142938
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02639536
0.33980141
452.76833893
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.4227540583 (a.u.)
total exchange computation time: 2.7376120090 s
-154.2569758724
-931.35973234
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.4218835690 (a.u.)
total exchange computation time: 2.7380797863 s
-154.2642847473
Anderson extrapolation: theta=1.3468415736 (1.3468415736)
-931.35998636
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.4206005794 (a.u.)
total exchange computation time: 2.7380719185 s
-154.2748016482
Anderson extrapolation: theta=0.0512839953 (0.0512839953)
-931.36013691
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.4204466948 (a.u.)
total exchange computation time: 2.7384831905 s
-154.2759440977
Anderson extrapolation: theta=1.9177050889 (1.9177050889)
-931.36014247
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.4201218760 (a.u.)
total exchange computation time: 2.7374479771 s
-154.2783072271
Anderson extrapolation: theta=0.2205072246 (0.2205072246)
-931.36014835
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.4200392601 (a.u.)
total exchange computation time: 2.7364270687 s
-154.2788641690
Anderson extrapolation: theta=1.8899549600 (1.8899549600)
-931.36014950
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.4199021481 (a.u.)
total exchange computation time: 2.7377860546 s
-154.2797346576
Anderson extrapolation: theta=0.2862405247 (0.2862405247)
-931.36015094
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.4198838671 (a.u.)
total exchange computation time: 2.7374670506 s
-154.2797960614
Anderson extrapolation: theta=1.3119775666 (1.3119775666)
-931.36015127
-208.564084 50.468553 -160.708280
-133.903259 459.855560 -799.114251
-342.467343 510.324113 -959.822531
1139.725350
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.4198771798 (a.u.)
total exchange computation time: 2.7363610268 s
679.80068580
-1085.59206924
89.63252479
-387.82983130
-174.95158437
79.25154070
551.60419304
0.00000000
-931.36015150
-10.90551662 -4.23172356 6.72296851
-0.00025545 0.00000758 -0.00011845
0.02356055 -0.01044446 0.00749512
-14.12362509 3.51500018 9.41801316
0.00026444 0.00022867 -0.00019554
-0.00332855 0.01670362 0.00681717
-15.98786280 1.31686037 3.47133093
-0.00002606 0.00005079 -0.00009620
0.03689877 0.01063391 0.03034262
2.46843044 -19.80692485 12.82774725
0.00026821 -0.00003518 0.00008433
-0.01709864 -0.01701899 -0.04723914
9.62131827 20.39101401 0.96135991
0.00019105 -0.00012126 0.00034838
-0.02770886 0.01773619 0.01186428
-11.93324514 12.61045722 15.10106782
-0.00040681 -0.00016984 0.00019635
0.03149429 -0.01035058 0.00909597
-6.30513859 1.50842318 -12.22897119
0.00019222 -0.00010501 -0.00037612
-0.00184129 -0.02530331 0.01813720
-7.40067106 7.81433435 -5.91009474
0.00000009 -0.00009839 -0.00004694
0.01577674 -0.01340093 -0.00646367
-7.67186717 -4.39414505 17.83420489
-0.00021014 0.00022009 -0.00007085
0.01285325 -0.01829630 -0.00908950
-23.47254603 -4.97274888 -22.55301713
-0.00018047 -0.00044106 -0.00014585
0.00559407 0.02190264 0.01183307
6.63922717 12.77971927 6.05162952
0.00005519 -0.00009739 -0.00001685
0.00898966 -0.01517977 0.02602928
24.68687181 30.40710990 -2.87696173
0.00007395 0.00024906 -0.00008563
0.00879353 -0.03467414 0.00230223
7.92047756 -1.24788801 -14.44783114
0.00002343 0.00023832 -0.00041918
-0.01098077 0.02086595 0.00178067
-7.23935715 -0.93519453 14.38714861
-0.00041759 -0.00016153 0.00021640
0.02630692 0.03735847 -0.01155315
-1.90941643 -26.23756753 11.32245539
0.00031287 0.00002701 -0.00013586
0.02241650 0.00660840 -0.00245771
-14.17593212 -4.60665574 -7.04888671
0.00030283 0.00024844 0.00014455
-0.00204774 0.00881798 -0.00141857
-19.99036608 -12.53038750 -17.82166778
0.00008543 -0.00009301 0.00034491
-0.03842682 -0.01662099 -0.02120845
22.70174438 3.63114180 3.04004154
0.00021964 0.00002366 -0.00015530
-0.00833387 -0.02843073 -0.00098902
17.76639277 -10.11280632 -14.35222615
-0.00011521 -0.00030518 0.00007307
0.04258779 -0.01602185 0.00121884
-2.13102277 1.88773949 -7.10754397
0.00028486 -0.00014055 0.00027814
0.01506524 0.02084598 -0.01036197
-4.15435610 -3.04258667 -15.62382159
-0.00023522 -0.00003899 0.00001469
0.02658465 0.01414322 0.00949199
13.36397751 17.23091146 -20.15862812
-0.00011402 0.00024332 0.00025899
0.01365994 -0.01449021 0.00852289
-16.36681482 16.06068500 -12.07784208
0.00050285 -0.00005270 -0.00020016
0.02977568 -0.00593315 -0.03363303
1.61356822 14.34752673 7.53862982
0.00059898 0.00053462 -0.00003345
-0.02003040 0.04714276 0.01702011
-5.25224129 -9.59163319 2.10189803
-0.00025320 -0.00014683 0.00028136
0.05091488 -0.05405449 0.03882868
3.07863398 -6.34648462 2.52182594
-0.00001431 -0.00017096 0.00017764
0.04277316 -0.08530533 -0.01767585
10.85126777 4.86980311 4.53804942
-0.00003724 0.00015590 -0.00034769
0.02838739 -0.00789233 0.01503359
-8.52543126 -9.71708878 -2.67024684
-0.00004013 0.00015241 -0.00028791
-0.02192631 0.03269766 -0.01033250
3.15668463 -15.99353272 -13.23221070
0.00003792 -0.00000165 0.00022102
-0.00430170 0.00043816 0.00796827
4.86201468 -8.43606770 -5.66662749
-0.00014527 -0.00004898 0.00038537
-0.02250075 -0.02509842 0.03198080
18.56315697 0.83916190 24.77818386
-0.00006417 0.00044234 -0.00022578
-0.00839981 -0.01037193 0.00211369
-8.24055588 3.14305043 1.07222171
-0.00046143 -0.00002669 0.00016042
-0.00070017 -0.01523720 -0.00189574
-7.84866567 14.21079707 -10.55602600
0.00017689 -0.00000332 0.00024343
0.01987468 0.00444033 -0.04012214
1.69397697 11.38144212 -8.96818862
-0.00000278 0.00002054 0.00010382
-0.01219632 -0.02675606 -0.04481138
-11.82536776 10.00048428 -13.82310819
0.00027375 0.00017908 -0.00005789
0.02388282 0.00080401 -0.04793041
7.19271726 4.29656992 14.70024367
-0.00043352 0.00047689 -0.00009153
-0.00446404 -0.03799305 -0.01014930
-14.63961006 9.34188135 -9.27693484
-0.00034507 -0.00043918 0.00041625
-0.00055283 -0.01269547 -0.00366283
8.53477129 8.33360334 -3.09338552
-0.00005183 -0.00021180 -0.00005436
-0.05432933 -0.00377120 -0.03214342
13.69026921 -20.39364239 -25.73857579
0.00006987 -0.00011805 -0.00018945
0.00582326 -0.00972956 -0.03484017
6.33773810 6.49546327 2.67184767
-0.00016919 -0.00000389 -0.00022325
-0.00629081 0.02731489 -0.00558610
19.21040602 -5.77407067 -6.52734876
-0.00013667 -0.00003837 -0.00025302
-0.04130484 0.01653542 0.01452197
-1.71898114 0.06648293 -2.53078894
0.00021610 -0.00020124 -0.00035585
-0.01499593 -0.00209922 0.02196182
2.37818817 -1.90821802 -12.33194664
-0.00022267 0.00016757 0.00039358
0.05360848 0.00812700 -0.01676153
20.49519692 9.36042741 -5.25385862
-0.00044880 -0.00003376 -0.00009114
0.01981299 -0.00473945 0.01976159
-7.47035719 6.47046873 9.42697562
-0.00003117 -0.00007884 0.00015623
-0.00931310 -0.00311832 0.04061321
-2.68489318 -14.60818800 11.55952552
0.00000965 -0.00000181 -0.00024875
0.02047170 -0.00507056 0.00639403
8.13902458 0.41087775 -4.96822368
-0.00005481 -0.00015559 0.00009234
-0.00280239 0.00843100 -0.00431052
-0.03382937 -10.05697890 0.48810822
-0.00010316 -0.00026311 -0.00015408
-0.00185413 -0.02235618 -0.00244423
-20.09054651 -1.43197112 4.76848414
-0.00015976 0.00024668 -0.00004411
-0.01790058 0.03473420 -0.01275565
-4.69279021 7.58503165 -23.51240650
0.00005471 -0.00018276 -0.00014512
0.02834366 0.04644852 -0.00693418
2.57569388 2.36004913 -1.34768007
0.00005729 -0.00018089 0.00044795
-0.01489972 0.02691810 -0.00545551
15.52280767 7.55204429 4.67652393
0.00009313 -0.00004542 -0.00007535
-0.00380233 -0.03266925 0.01753885
-9.30807321 -4.80958649 7.44473576
0.00050912 0.00024357 0.00040565
-0.01385122 0.00111848 0.00047606
-10.46303492 -3.72880913 5.02324265
0.00060263 0.00005622 0.00061125
0.00341787 -0.00509975 -0.00809963
-12.90901512 4.69184265 8.78367777
0.00004158 -0.00034402 -0.00065509
0.00464146 0.01768177 0.00071035
-13.45269000 2.03331997 8.65920290
-0.00019234 -0.00047778 -0.00023227
0.00121841 -0.02454094 -0.00788334
-14.88791037 1.48307061 5.05365788
-0.00108193 0.00128202 0.00038526
-0.02403935 -0.00611771 -0.03522119
-17.15984313 0.01431087 4.02156480
0.00067123 0.00106277 -0.00009545
-0.01212283 -0.00407389 0.00182940
2.84070508 -21.27408921 11.63904234
0.00116210 -0.00024847 0.00003537
-0.00989592 0.02216982 0.01723128
3.49022173 -20.07902437 14.23229228
-0.00036645 0.00064796 -0.00057529
0.02598018 -0.00151144 0.02990086
8.55522916 18.89951373 1.01558220
-0.00035820 0.00059198 0.00098152
0.00785345 -0.00995028 -0.00816009
8.48471801 21.57314907 1.91466163
-0.00066250 -0.00058353 0.00032947
0.01509084 -0.00178592 -0.01008171
-10.73754648 12.06369886 16.41942888
-0.00102087 -0.00085544 -0.00029334
-0.00701624 0.00036457 -0.00832992
-12.53633564 14.14748234 15.78880121
0.00007798 -0.00027083 -0.00002714
-0.01145901 0.02413501 0.00312274
-5.49990145 0.17475083 -13.28737649
0.00085420 -0.00006813 -0.00019794
-0.01400217 0.01558891 0.02077922
-6.80438863 0.75462106 -10.45584930
-0.00028841 -0.00032285 0.00002192
0.01567749 0.00685337 -0.03912882
-6.77762098 6.40039060 -4.90662742
-0.00040320 0.00022574 -0.00056322
-0.00038102 0.00790051 -0.00436201
-9.13597758 7.80919928 -5.47160695
0.00029132 0.00040999 0.00018612
-0.02052612 0.00215836 0.00143348
-8.58332161 -3.43714723 19.02342793
0.00090221 -0.00014848 -0.00016348
-0.01043396 0.02037938 0.01371605
-7.73473814 -6.05285286 18.56359407
-0.00022667 0.00078830 -0.00034706
-0.00264220 -0.01495830 0.00225819
-23.18637437 -3.31470440 -23.32805237
0.00003511 0.00045068 -0.00004202
-0.00579361 -0.00832380 -0.01047056
-23.16771824 -4.48366808 -20.79895097
0.00067033 -0.00078210 -0.00041930
-0.00686263 -0.01111791 -0.00737357
6.65130308 13.28721751 4.33374619
-0.00044595 0.00024380 -0.00007752
0.00954014 0.00335705 -0.02030490
8.11756217 11.66192468 6.42805529
-0.00031259 0.00065503 0.00050812
-0.01404223 0.01280659 -0.00668768
24.64667224 28.68835074 -2.12271944
0.00061433 0.00005510 -0.00052138
0.00092766 0.02246818 -0.00876496
23.90568927 31.53592522 -1.69298938
0.00073472 -0.00010706 -0.00050888
-0.00654520 0.01102459 0.01290090
9.44369258 -2.29400183 -14.63949521
-0.00003585 0.00031421 -0.00136801
0.00263177 -0.00721514 0.00437327
7.73984319 -0.87086950 -12.68640420
0.00076658 -0.00091611 0.00095601
-0.00297016 -0.00949036 0.00418205
-7.35210058 -0.12348125 16.06942154
0.00001222 0.00041717 -0.00078266
-0.00785804 -0.01604234 -0.01247817
-8.38350386 -2.25193427 14.02852673
0.00021155 0.00109957 -0.00073792
-0.01475093 -0.01314411 0.01472666
-2.56695090 -26.67925799 13.00394757
-0.00063047 0.00011324 0.00023968
-0.00528618 -0.00325721 -0.00408872
-3.11110189 -25.90783804 10.01409710
0.00015673 0.00004255 0.00070072
-0.01291664 -0.00130479 -0.00207093
-14.15104456 -2.88751723 -6.33853954
-0.00128614 -0.00010781 0.00025784
-0.00119417 -0.00404803 -0.00234466
-14.97917166 -4.50851959 -8.69419534
0.00024196 -0.00020948 -0.00000644
0.00374875 -0.00187614 -0.00174346
-19.13727902 -11.39616944 -16.77111763
-0.00160606 0.00033976 -0.00065538
0.03001184 0.01886354 0.01770276
-18.84983667 -13.83370784 -18.35920461
0.00065083 0.00009387 -0.00034778
0.01806815 -0.00018376 0.00318615
23.44580042 3.21508259 1.33426721
0.00113567 -0.00095718 0.00025644
0.00294913 0.02240660 0.01434850
22.92879278 5.21360809 3.87837023
-0.00064043 -0.00026290 0.00073067
0.00791668 0.00686093 -0.00886941
16.35667514 -9.82254105 -13.34809849
0.00027248 -0.00084651 -0.00072529
-0.03642249 0.01132423 0.02697476
17.30211565 -9.71670367 -16.02088968
-0.00116056 -0.00079666 -0.00011011
-0.00643726 0.00869460 -0.02817667
-0.56637419 2.43508372 -8.00183458
-0.00024493 -0.00082635 -0.00029587
-0.00701882 -0.00432457 0.01059670
-2.37479741 0.28867722 -7.88925564
0.00094020 -0.00059203 0.00137152
-0.01172051 -0.01577854 -0.00566480
-5.64703660 -3.22316382 -16.56180160
0.00031709 -0.00081932 -0.00023946
-0.02489389 -0.00787434 -0.01546889
-3.22074363 -1.84654767 -16.68656385
-0.00082109 0.00051447 0.00016358
-0.00372093 -0.00263882 0.00316365
12.88292173 18.76537798 -20.99583575
0.00032957 0.00027930 0.00111928
-0.01044371 0.00319452 -0.00329025
11.88545053 16.12290960 -20.19772227
-0.00007330 -0.00071177 0.00068248
0.00150076 0.00792634 -0.00687480
-15.29345083 15.46935091 -13.61713034
-0.00034621 0.00062296 0.00018031
-0.02202062 0.01543997 0.03752317
-17.86578837 15.12070692 -12.51273901
0.00079034 0.00054286 0.00086757
-0.00956345 -0.00981143 0.00490408
2.72134973 15.16450771 6.29837931
0.00055687 -0.00051851 -0.00096665
-0.00788099 -0.01027229 -0.00173827
0.60589153 15.83748571 8.26144647
0.00027121 -0.00035383 0.00030593
0.01725514 -0.03867216 -0.01619760
-6.22729464 -8.45784499 1.26677589
0.00069997 0.00033314 -0.00049953
-0.03485386 0.05179687 -0.03243045
-3.45977716 -9.31045983 1.66201117
-0.00020845 -0.00061491 -0.00000594
-0.00986246 -0.00266915 -0.00131538
2.52338165 -4.78549662 2.76356893
-0.00062370 -0.00081767 0.00021470
-0.03400529 0.09803623 0.02115655
4.47810448 -6.13471726 1.33965081
0.00011100 -0.00107074 -0.00017470
0.00153606 -0.00986507 0.00401177
9.31055111 5.75127922 4.33456316
0.00024743 -0.00059840 0.00004984
-0.02115736 0.01476424 -0.01067644
12.19327272 6.14665365 4.73092848
-0.00027799 0.00051050 0.00011284
-0.00318841 -0.00583570 -0.00107052
-7.63180164 -11.12532475 -2.14103722
0.00120494 0.00001024 -0.00076890
0.03179574 -0.04007680 0.00377072
-9.75724164 -9.54380083 -1.35051674
0.00016695 0.00080606 -0.00040425
-0.01323644 0.00949958 0.00271972
4.60648173 -16.65830031 -14.24297837
-0.00012573 0.00034348 -0.00062692
-0.02256889 0.00272916 0.03932049
2.93110392 -16.65519070 -11.44144096
0.00159609 -0.00017590 -0.00073815
0.02138900 -0.00067177 -0.04678182
5.83587224 -6.99366788 -6.13235802
0.00005906 0.00070478 0.00027985
0.01263538 0.01892432 0.00557126
4.88899523 -8.61064461 -3.78494783
0.00031025 0.00122009 -0.00011895
0.00511718 0.00898872 -0.03310435
16.84785153 1.45496436 24.46376273
-0.00028244 -0.00073411 0.00045297
0.00586798 0.00583022 0.00207618
19.66198854 2.27075880 25.16063718
0.00107372 -0.00002441 -0.00110074
-0.00213841 0.00146594 -0.00399639
-9.69011547 3.11191883 2.22412415
-0.00091129 0.00081581 0.00084298
0.00361590 0.01266148 -0.00040883
-7.75041831 4.86949407 0.81424538
0.00048698 -0.00048175 -0.00025431
0.00350920 0.00755031 0.00648188
-6.56589036 14.60510306 -9.38854092
0.00093002 -0.00068554 0.00099339
0.01768342 0.00628936 0.01661683
-9.28025700 13.85897541 -9.59008070
0.00071682 -0.00000328 -0.00003138
-0.03548599 -0.01154451 0.02234777
0.07355736 10.92841972 -8.29591775
0.00011870 -0.00034170 -0.00006405
0.00138669 0.00429732 0.01464017
2.47434532 12.62324747 -7.97320651
0.00084567 0.00033510 0.00023612
0.01318263 0.02065851 0.02799520
-10.40877643 8.87353502 -13.66258160
-0.00022098 0.00069961 -0.00012510
0.01238190 -0.00315778 -0.00876900
-12.51340390 9.83502687 -12.23736824
0.00026645 0.00028363 -0.00061116
-0.03646186 0.00048345 0.05572749
7.13837658 5.98805357 15.18194913
0.00016050 -0.00033037 0.00100367
0.00312401 0.03760611 -0.00505452
7.25282964 4.12314681 12.85084411
-0.00053863 -0.00067499 -0.00001149
0.00521884 0.00721615 0.00952982
-14.07374218 10.76946935 -8.28052189
0.00070415 0.00074058 -0.00024688
0.01206257 0.00496646 0.00676937
-16.35000417 9.75913724 -9.62707716
0.00076301 0.00069927 -0.00061404
-0.01872543 -0.00041477 -0.00670903
8.72274518 9.79365606 -2.04387319
-0.00037931 0.00042149 0.00006315
-0.00162076 0.01211287 0.00351125
6.83125063 8.66738039 -4.05004404
0.00071021 -0.00087497 -0.00173822
0.05386658 -0.00523033 0.03369131
12.13966572 -20.44293386 -26.69256490
0.00054280 0.00038677 0.00026731
-0.00509605 0.00263970 0.00598149
13.38793348 -19.69980883 -24.08836425
0.00068821 -0.00013050 0.00026561
-0.00223572 0.00037951 0.01898308
5.64922547 4.83897986 2.71043620
0.00051051 0.00126780 0.00036569
-0.00404037 -0.02793206 -0.00022491
6.30072993 7.00131101 0.90863994
-0.00006230 0.00138625 -0.00027096
0.00650681 -0.00147305 0.00388753
20.50517546 -6.57884367 -5.60297322
-0.00049284 0.00061476 -0.00079119
0.01263721 -0.00879010 0.01296452
17.88505733 -5.13805522 -5.30091777
-0.00039845 -0.00052500 -0.00014738
0.02313131 -0.00750376 -0.01999614
-3.10073865 0.09571435 -1.22937982
-0.00004614 0.00031804 0.00050045
0.02394254 0.00956920 -0.02275065
-2.15031259 1.00638987 -4.08163339
-0.00122439 0.00044417 0.00012609
-0.00771203 -0.00626968 0.00029972
3.51642303 -3.36752188 -12.09322052
0.00065598 -0.00071599 0.00006711
0.00279761 0.00883076 -0.00392576
0.88296106 -2.34449848 -11.51167649
-0.00036165 0.00027468 -0.00005131
-0.04692919 -0.01802636 0.01957391
20.16824047 8.25572259 -6.61150410
-0.00125035 0.00068176 0.00081138
-0.01643522 -0.01335445 -0.02509021
22.11701053 8.58298801 -4.63357359
-0.00121553 -0.00012627 -0.00063823
-0.01037306 0.01710898 -0.00070031
-7.59026062 4.70182692 8.92216073
0.00004844 0.00006258 -0.00017555
0.00497639 -0.00455310 0.00234512
-7.34020074 6.27709847 11.31538470
-0.00044966 -0.00018694 -0.00080123
-0.00612019 0.00567265 -0.03429393
-3.00932000 -16.40591967 11.78069429
0.00028839 0.00009861 -0.00083927
-0.00610172 0.01081855 -0.00314994
-4.19629291 -13.65139125 11.79886766
0.00087635 0.00050531 -0.00024947
-0.01103671 -0.00574455 0.00070983
8.21373694 0.27643906 -3.15961796
0.00042968 0.00081776 -0.00103392
0.00042018 0.00206638 0.00309747
7.66201383 2.20096333 -5.55233499
0.00046026 -0.00064149 0.00032194
0.00788280 -0.02543411 0.00358772
1.22205198 -10.64259889 1.74267732
0.00030302 -0.00022387 -0.00087901
-0.01266406 0.00998884 -0.00129711
0.26876595 -8.31778640 0.06060776
-0.00056469 0.00026906 0.00063253
0.00650327 0.00725258 0.00181226
-19.89493360 -1.39761799 6.63301515
-0.00034649 0.00039078 0.00066755
-0.00562426 -0.00026806 -0.00637385
-20.94760740 0.23455993 4.24537620
-0.00073805 0.00025192 0.00020320
0.01861440 -0.03303047 0.01759109
-3.63249271 8.28818529 -24.99678853
0.00028045 0.00168599 -0.00041172
-0.02107078 -0.01807304 0.02040281
-4.40993700 9.06073776 -22.36387204
0.00029133 0.00074614 -0.00098828
-0.00731218 -0.02635295 -0.00825340
3.65535893 0.97201150 -0.94880120
0.00002438 0.00066891 0.00012278
-0.00269510 -0.00992768 -0.00544381
0.94503229 1.87619189 -2.19572596
0.00050346 -0.00144923 0.00021689
0.01811027 -0.01781686 0.01527924
16.18516179 7.51119756 6.41903443
-0.00082865 -0.00043900 -0.00032623
-0.00877127 0.00671075 -0.01552262
15.80902697 9.14950470 3.96957024
-0.00034727 -0.00151066 0.00007863
0.00818964 0.02907392 -0.00910160
-0.35351504 -11.81671636 -13.36065972
-0.00000446 0.00000716 0.00024645
0.00780677 -0.00205819 -0.00040413
-13.93348145 14.53045594 22.13078542
-0.00001454 -0.00010230 0.00014519
0.00015225 -0.00305311 0.00138226
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02633414
0.33381736
444.79489642
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.247 s
total exchange = -52.4385639442 (a.u.)
total exchange computation time: 2.7397758961 s
-154.3144755043
-931.35432062
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.4374252093 (a.u.)
total exchange computation time: 2.7364840508 s
-154.3239477700
Anderson extrapolation: theta=1.3434187230 (1.3434187230)
-931.35459449
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.4357794715 (a.u.)
total exchange computation time: 2.7366631031 s
-154.3373623834
Anderson extrapolation: theta=0.0503538473 (0.0503538473)
-931.35475616
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.241 s
total exchange = -52.4356053255 (a.u.)
total exchange computation time: 2.7390658855 s
-154.3386592079
Anderson extrapolation: theta=1.8840297306 (1.8840297306)
-931.35476195
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.245 s
total exchange = -52.4352475917 (a.u.)
total exchange computation time: 2.7363581657 s
-154.3412862333
Anderson extrapolation: theta=0.2153562534 (0.2153562534)
-931.35476785
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.4351600073 (a.u.)
total exchange computation time: 2.7366821766 s
-154.3418964979
Anderson extrapolation: theta=1.8835061147 (1.8835061147)
-931.35476898
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.244 s
total exchange = -52.4350153766 (a.u.)
total exchange computation time: 2.7383158207 s
-154.3428629988
Anderson extrapolation: theta=0.2837023419 (0.2837023419)
-931.35477038
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.243 s
total exchange = -52.4349967679 (a.u.)
total exchange computation time: 2.7371778488 s
-154.3429448294
Anderson extrapolation: theta=1.3125224265 (1.3125224265)
-931.35477071
-208.515710 50.479175 -160.703973
-133.874466 459.885566 -799.161528
-342.390176 510.364740 -959.865501
1139.756545
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.242 s
total exchange = -52.4349910644 (a.u.)
total exchange computation time: 2.7372679710 s
680.04956331
-1086.10875930
89.60816934
-387.47644861
-174.99230462
79.53662501
551.60419304
0.00000000
-931.35477094
-10.90925753 -4.23165022 6.72122065
-0.00024219 0.00000150 -0.00011330
0.02800963 -0.01319795 0.01253934
-14.11967128 3.51849461 9.41510635
0.00026259 0.00023593 -0.00019222
-0.00386176 0.01153010 0.00611156
-15.98811135 1.31766332 3.47000497
-0.00000598 0.00005782 -0.00008123
0.04116617 0.01667096 0.02788498
2.47238768 -19.80751821 12.82883002
0.00025825 -0.00004401 0.00005790
-0.02165878 -0.01731869 -0.05554112
9.62407710 20.38926353 0.96663135
0.00017648 -0.00011168 0.00035476
-0.02893256 0.01953393 0.01296887
-11.93922576 12.60786973 15.10404819
-0.00039107 -0.00017542 0.00020005
0.02969726 -0.01134145 0.00527217
-6.30226244 1.50675046 -12.23454298
0.00019118 -0.00011828 -0.00036642
-0.00218167 -0.02632465 0.01957308
-7.40060892 7.81280683 -5.91082384
0.00000810 -0.00010431 -0.00005105
0.01538830 -0.00964346 -0.00949404
-7.67496970 -4.39091428 17.83310707
-0.00020258 0.00021073 -0.00007716
0.01654246 -0.01811170 -0.01542886
-23.47523153 -4.97928033 -22.55515923
-0.00017741 -0.00042869 -0.00014072
0.00630371 0.02620322 0.00809908
6.64008974 12.77819985 6.05147719
0.00005891 -0.00010435 -0.00000394
0.00545107 -0.01189561 0.02415518
24.68801504 30.41071210 -2.87823733
0.00007916 0.00023035 -0.00008563
0.01145937 -0.03808938 -0.00228176
7.92078664 -1.24423272 -14.45411204
0.00001755 0.00024954 -0.00041618
-0.01189339 0.02274996 0.00990886
-7.24551960 -0.93747335 14.39035010
-0.00040208 -0.00014078 0.00020965
0.03401515 0.04333680 -0.01471703
-1.90463691 -26.23713689 11.32040808
0.00032434 0.00002992 -0.00013536
0.02217245 0.00471016 0.00437954
-14.17139759 -4.60289509 -7.04672395
0.00030151 0.00025243 0.00014337
-0.00309924 0.00668874 -0.00318207
-19.98923287 -12.53184671 -17.81657601
0.00006486 -0.00010397 0.00033209
-0.04153957 -0.02601823 -0.02861049
22.70500678 3.63138705 3.03770818
0.00021523 0.00000891 -0.00015574
-0.00878978 -0.02892800 -0.00071499
17.76482886 -10.11744587 -14.35112536
-0.00009220 -0.00031338 0.00007165
0.04689391 -0.01583530 -0.00673561
-2.12669174 1.88571170 -7.10341183
0.00029212 -0.00012993 0.00027296
0.01314955 0.02044619 -0.00978088
-4.15778190 -3.04311699 -15.62356460
-0.00022130 -0.00003160 0.00001979
0.02757504 0.01461834 0.01035258
13.36231995 17.23450533 -20.15471034
-0.00010714 0.00023437 0.00026391
0.01307547 -0.02030007 0.01061336
-16.35915727 16.05987154 -12.08097427
0.00051866 -0.00005450 -0.00021611
0.03170493 -0.00103135 -0.02835843
1.62247568 14.35572788 7.53819379
0.00058902 0.00055794 -0.00002493
-0.01869569 0.04355980 0.01608493
-5.25584292 -9.59404417 2.10626815
-0.00022760 -0.00017387 0.00030075
0.04864227 -0.05109506 0.03659429
3.07858427 -6.34937808 2.52442232
0.00000814 -0.00021554 0.00016835
0.04455002 -0.08806254 -0.01842571
10.85081873 4.87211113 4.53289211
-0.00002137 0.00015135 -0.00033972
0.03331218 -0.00980927 0.01592996
-8.52611775 -9.71467649 -2.67460530
-0.00005023 0.00016791 -0.00029317
-0.01735782 0.02756517 -0.01014241
3.15723690 -15.99355579 -13.22886473
0.00003624 -0.00000112 0.00022355
-0.00225341 0.00160775 0.00188245
4.85974880 -8.43689919 -5.66072358
-0.00015576 -0.00006014 0.00040041
-0.01827601 -0.01829978 0.02649781
18.56216195 0.84575701 24.77480534
-0.00006779 0.00043652 -0.00022461
-0.00565423 -0.01225923 0.00243279
-8.24748008 3.14259129 1.07462065
-0.00046275 -0.00003483 0.00016011
-0.00441395 -0.01642525 0.00071176
-7.84593562 14.21076446 -10.55252937
0.00018962 -0.00000028 0.00022357
0.02962181 0.00734723 -0.03708995
1.69388828 11.38164696 -8.96680422
-0.00000812 0.00000799 0.00008150
-0.00857378 -0.02202803 -0.04197714
-11.82116939 10.00317365 -13.82416136
0.00028532 0.00018046 -0.00008346
0.02112789 0.00454585 -0.05153644
7.18619732 4.30357669 14.69883154
-0.00043577 0.00045580 -0.00009674
-0.00430284 -0.04399409 -0.01010296
-14.64478828 9.33524469 -9.27070522
-0.00034365 -0.00044463 0.00041540
0.00609819 -0.00849470 0.00036245
8.53378427 8.33041174 -3.09432491
-0.00007931 -0.00021303 -0.00007034
-0.05253653 -0.00100739 -0.03000507
13.69133975 -20.39545072 -25.74155187
0.00007394 -0.00012276 -0.00020606
0.00999071 -0.00857870 -0.02976138
6.33517604 6.49551035 2.66847744
-0.00017116 0.00001343 -0.00022671
-0.00138029 0.04001182 -0.00790431
19.20819657 -5.77458249 -6.53108797
-0.00015938 -0.00002908 -0.00024644
-0.04700689 0.01961267 0.01104044
-1.71579741 0.06345622 -2.53604197
0.00020729 -0.00020195 -0.00034416
-0.01928152 -0.00066455 0.02349773
2.37505489 -1.90567308 -12.32610765
-0.00019376 0.00017046 0.00038505
0.05881645 0.00309962 -0.01640075
20.48854136 9.35990277 -5.25514948
-0.00043907 -0.00003444 -0.00007972
0.01803869 0.00206579 0.02464872
-7.47086068 6.46927413 9.42947573
-0.00003610 -0.00008032 0.00017550
-0.00984672 -0.00263410 0.03430831
-2.68466953 -14.60823470 11.55581889
0.00002120 -0.00000440 -0.00024569
0.02447731 -0.00498479 0.00550618
8.13819165 0.40857646 -4.96685513
-0.00005624 -0.00015156 0.00008797
-0.00278170 0.00723681 -0.01268412
-0.03538392 -10.06101184 0.48578760
-0.00010422 -0.00027389 -0.00015570
-0.00225429 -0.01954476 -0.00386854
-20.09301189 -1.42813699 4.76777325
-0.00016902 0.00026466 -0.00004955
-0.01814609 0.03519082 -0.00839453
-4.69186018 7.58246946 -23.51460999
0.00006996 -0.00015778 -0.00014936
0.03096150 0.05068906 -0.00957913
2.57649574 2.35743965 -1.34098192
0.00004864 -0.00016621 0.00044478
-0.01872148 0.03017798 -0.00684688
15.52418997 7.55123697 4.67546127
0.00009015 -0.00006538 -0.00006583
-0.00779031 -0.04494771 0.01950571
-9.30086083 -4.80589872 7.45083510
0.00044280 0.00025131 0.00040427
-0.01861318 0.00267367 -0.00115385
-10.45389074 -3.72812212 5.03216325
0.00061742 0.00003743 0.00057095
0.00382067 -0.00409885 -0.01163074
-12.90824920 4.68722425 8.77387319
0.00006452 -0.00026835 -0.00065391
0.00658782 0.01935484 -0.00013407
-13.45553770 2.02540124 8.65547723
-0.00019053 -0.00057159 -0.00026117
-0.00033435 -0.02138013 -0.00626143
-14.90487596 1.50211350 5.05835753
-0.00117756 0.00125640 0.00024200
-0.02277077 -0.00642380 -0.03490824
-17.15014618 0.03012752 4.02018916
0.00061043 0.00103405 -0.00008354
-0.01763987 -0.00998063 0.00400018
2.85783329 -21.27713690 11.64010097
0.00111974 -0.00015572 0.00010737
-0.01083864 0.02323263 0.01801155
3.48552108 -20.06935127 14.22457921
-0.00024968 0.00063974 -0.00043782
0.03118071 -0.00251250 0.03739256
8.55009685 18.90808854 1.03005493
-0.00032651 0.00054658 0.00094696
0.00765947 -0.01227504 -0.00875559
8.47524288 21.56434145 1.91929482
-0.00059777 -0.00058900 0.00028759
0.01659520 -0.00089372 -0.01042173
-10.75307448 12.05087849 16.41477346
-0.00104472 -0.00085565 -0.00032187
-0.00466128 -0.00046710 -0.00563210
-12.53551708 14.14415950 15.78848974
0.00002992 -0.00016817 -0.00001212
-0.01206503 0.02611840 0.00423210
-5.48751758 0.17420661 -13.28970889
0.00079595 -0.00000389 -0.00011247
-0.01450724 0.01585738 0.02106260
-6.80823438 0.74998832 -10.45671958
-0.00022264 -0.00029342 -0.00014095
0.01651730 0.00755013 -0.04059415
-6.78368067 6.40401878 -4.91520932
-0.00040075 0.00025006 -0.00057536
0.00158123 0.00400448 -0.00158102
-9.13223683 7.81541528 -5.46877116
0.00020441 0.00041917 0.00019274
-0.02201397 0.00233516 0.00180622
-8.57010822 -3.43874991 19.02139607
0.00085242 -0.00005634 -0.00009772
-0.01393788 0.02472259 0.01847414
-7.73821914 -6.04148672 18.55845736
-0.00023768 0.00071764 -0.00033442
-0.00274934 -0.01963201 0.00393077
-23.18602522 -3.30819925 -23.32900348
0.00000955 0.00040710 -0.00008074
-0.00672113 -0.01300940 -0.00848205
-23.15787362 -4.49574028 -20.80546643
0.00064243 -0.00082655 -0.00044579
-0.00679140 -0.01064154 -0.00559475
6.64490620 13.29097732 4.33196117
-0.00040585 0.00025561 -0.00015665
0.01008612 0.00242400 -0.01843005
8.11244300 11.67214255 6.43547215
-0.00036369 0.00070274 0.00048024
-0.01097166 0.01054624 -0.00696031
24.65591557 28.68986571 -2.13080875
0.00061731 0.00014693 -0.00055616
0.00053379 0.02248582 -0.00825925
23.91650945 31.53465715 -1.70022725
0.00070280 -0.00005565 -0.00044844
-0.00908020 0.01414093 0.01668696
9.44323541 -2.28950978 -14.65988129
-0.00002505 0.00028478 -0.00134962
0.00265679 -0.00718941 0.00462717
7.75125087 -0.88490195 -12.67193589
0.00075621 -0.00095804 0.00095669
-0.00210426 -0.01103598 -0.00385174
-7.35215813 -0.11771531 16.05729929
-0.00002193 0.00035433 -0.00082501
-0.00885648 -0.01471552 -0.00825548
-8.38078270 -2.23584354 14.01790916
0.00013727 0.00103104 -0.00068066
-0.02160617 -0.02040221 0.01330377
-2.57656998 -26.67765919 13.00741751
-0.00064719 0.00010169 0.00021609
-0.00289638 -0.00239905 -0.00746100
-3.10914672 -25.90723980 10.02454443
0.00009950 0.00003893 0.00068553
-0.01509806 -0.00046519 -0.00536601
-14.17037327 -2.88925845 -6.33474371
-0.00129000 -0.00012041 0.00024993
-0.00069326 -0.00211867 -0.00153175
-14.97542745 -4.51171934 -8.69434542
0.00025820 -0.00021721 -0.00001174
0.00420410 -0.00190408 -0.00085063
-19.16045034 -11.39049499 -16.78040583
-0.00147336 0.00042954 -0.00057135
0.03494643 0.02508525 0.02343007
-18.83952059 -13.83230537 -18.36432371
0.00072078 0.00009925 -0.00033146
0.01617174 0.00281701 0.00480097
23.46292587 3.20141150 1.33855342
0.00114735 -0.00086344 0.00031511
0.00276882 0.02347801 0.01437110
22.91942891 5.20987485 3.88905851
-0.00060731 -0.00023564 0.00069308
0.00829630 0.00648036 -0.00953190
16.35964622 -9.83489172 -13.35815124
0.00011180 -0.00079844 -0.00060496
-0.04223016 0.01220710 0.03192642
17.28451005 -9.72838710 -16.02340474
-0.00118354 -0.00076325 -0.00021930
-0.00481364 0.00766076 -0.02527518
-0.57026323 2.42255600 -8.00594798
-0.00026898 -0.00084062 -0.00025402
-0.00475550 -0.00266170 0.00989130
-2.36105363 0.27931331 -7.86885642
0.00089123 -0.00065879 0.00134806
-0.01225054 -0.01690019 -0.00582164
-5.64304313 -3.23569486 -16.56586756
0.00021248 -0.00085264 -0.00030452
-0.02631328 -0.00843721 -0.01637490
-3.23317401 -1.83891147 -16.68401318
-0.00083523 0.00050396 0.00017613
-0.00319893 -0.00250446 0.00297667
12.88754524 18.76966536 -20.97914741
0.00028322 0.00029757 0.00110194
-0.01224704 0.00575159 -0.00519587
11.88439704 16.11247596 -20.18769576
-0.00006186 -0.00067291 0.00065360
0.00409888 0.01109574 -0.00726198
-15.29931871 15.47916841 -13.61327593
-0.00043050 0.00068294 0.00032616
-0.01924186 0.01392348 0.03387141
-17.85422633 15.12854914 -12.49957516
0.00074147 0.00049624 0.00088427
-0.01435661 -0.01300860 0.00326924
2.72946128 15.15641523 6.28382636
0.00052229 -0.00055886 -0.00097105
-0.00904395 -0.00947949 -0.00041962
0.61048836 15.83099322 8.26553900
0.00034100 -0.00050642 0.00023931
0.01691157 -0.03602306 -0.01641159
-6.21786319 -8.45126072 1.25828915
0.00056157 0.00053973 -0.00062858
-0.03289231 0.04933166 -0.03074073
-3.46320615 -9.31976531 1.66188174
-0.00024816 -0.00062653 -0.00001010
-0.00957282 -0.00301767 -0.00071955
2.51298412 -4.79475747 2.76743772
-0.00076303 -0.00041334 0.00030046
-0.03419884 0.09988432 0.02082303
4.47981657 -6.15108071 1.33715327
0.00011437 -0.00110890 -0.00015601
0.00011355 -0.00881450 0.00513837
9.31361417 5.74275562 4.33498361
0.00015171 -0.00053272 0.00000507
-0.02569764 0.01738498 -0.01123845
12.18900511 6.15413239 4.73258829
-0.00029174 0.00048549 0.00010793
-0.00354282 -0.00640793 -0.00133372
-7.61275316 -11.12639918 -2.15245521
0.00132526 -0.00014111 -0.00075606
0.02709936 -0.03401289 0.00251463
-9.75514300 -9.53141890 -1.35649718
0.00011301 0.00084259 -0.00039075
-0.01316818 0.00838492 0.00389153
4.60390416 -16.65306453 -14.25117726
-0.00021919 0.00035570 -0.00046553
-0.02317869 0.00325416 0.03967975
2.95570063 -16.65784977 -11.45394683
0.00168029 -0.00018183 -0.00091764
0.01982778 -0.00223268 -0.04107766
5.83714529 -6.98251630 -6.12798953
0.00010373 0.00077170 0.00030407
0.00923374 0.01383457 0.00628236
4.89380575 -8.59206779 -3.78774646
0.00032991 0.00125369 -0.00024495
0.00450924 0.00745821 -0.02857537
16.84379467 1.44413144 24.47062089
-0.00026088 -0.00070642 0.00046098
0.00468979 0.00772279 0.00184274
19.67802877 2.27043763 25.14400360
0.00106201 -0.00001813 -0.00111719
-0.00359245 0.00160840 -0.00405453
-9.70367395 3.12454403 2.23675636
-0.00088892 0.00086810 0.00083489
0.00733268 0.01293086 -0.00355248
-7.74300601 4.86249916 0.81062938
0.00050147 -0.00044913 -0.00022770
0.00358078 0.00841919 0.00654534
-6.55139821 14.59501272 -9.37313090
0.00098995 -0.00066379 0.00104992
0.01165260 0.00435543 0.01105377
-9.27059211 13.85857244 -9.58986666
0.00056416 -0.00005224 0.00006506
-0.03924229 -0.01242340 0.02486367
0.07538034 10.92342591 -8.29642981
0.00012394 -0.00032345 -0.00000311
0.00118104 0.00463377 0.01519053
2.48743437 12.62890708 -7.96880678
0.00089242 0.00040934 0.00034381
0.00970229 0.01567985 0.02471854
-10.41171173 8.88393247 -13.66472678
-0.00016175 0.00067985 -0.00015991
0.01661464 -0.00651776 -0.00827333
-12.51052451 9.83929608 -12.24482804
0.00011433 0.00028462 -0.00037649
-0.03800175 0.00000506 0.05914863
7.14087984 5.98425043 15.19684928
0.00017326 -0.00016943 0.00098228
0.00311937 0.04117154 -0.00541472
7.24491015 4.11324307 12.85096380
-0.00051708 -0.00064145 0.00002811
0.00532694 0.00920135 0.00985451
-14.06281028 10.78073030 -8.28401771
0.00074940 0.00075048 -0.00022569
0.01008617 -0.00012362 0.00360415
-16.33913282 9.76961352 -9.63649339
0.00067730 0.00069950 -0.00064331
-0.02322798 0.00053121 -0.00761825
8.71700580 9.80034952 -2.04281837
-0.00038808 0.00046360 0.00007119
-0.00267162 0.00850310 0.00042606
6.84355446 8.65409557 -4.07508495
0.00092886 -0.00089401 -0.00159845
0.05316515 -0.00409223 0.03472806
12.14765152 -20.43705147 -26.68837195
0.00051325 0.00039737 0.00028660
-0.00936825 0.00255059 0.00346028
13.39818814 -19.70175474 -24.08379839
0.00067935 -0.00013081 0.00033883
-0.00210335 -0.00053153 0.01685753
5.65675936 4.85714094 2.71591466
0.00048423 0.00113226 0.00036259
-0.00882353 -0.03841487 -0.00129430
6.29999489 7.02205965 0.90469472
-0.00003642 0.00137588 -0.00024881
0.00615718 -0.00360505 0.00695218
20.49817016 -6.56989168 -5.61444385
-0.00042999 0.00057216 -0.00073084
0.01812702 -0.01206176 0.01657791
17.87978936 -5.14616009 -5.30374116
-0.00030391 -0.00055502 -0.00022936
0.02314987 -0.00719449 -0.02013562
-3.10069709 0.10077821 -1.22257028
0.00005805 0.00035584 0.00040326
0.02705834 0.00893429 -0.02482115
-2.16891479 1.01286026 -4.07973279
-0.00125226 0.00041685 0.00012986
-0.00592788 -0.00710257 0.00154183
3.52634852 -3.37799107 -12.09233419
0.00065711 -0.00066846 0.00004960
-0.00224475 0.01443213 -0.00464286
0.87609826 -2.34093067 -11.51184639
-0.00055259 0.00020011 0.00002869
-0.04653656 -0.01847558 0.01958665
20.14898165 8.26553983 -6.60010217
-0.00132152 0.00061672 0.00069596
-0.01840646 -0.01848466 -0.03141283
22.09845979 8.58161830 -4.64316850
-0.00124976 -0.00005959 -0.00063758
-0.00638638 0.01552976 0.00102027
-7.58938157 4.70262605 8.91959939
0.00006873 0.00004356 -0.00016628
0.00495745 -0.00475714 0.00219147
-7.34713314 6.27446824 11.30231545
-0.00047316 -0.00016446 -0.00092855
-0.00538672 0.00532809 -0.02803210
-3.00518111 -16.40410899 11.76800865
0.00026174 0.00014017 -0.00085140
-0.00694451 0.00952505 -0.00278584
-4.18348588 -13.64398770 11.79514730
0.00082429 0.00048428 -0.00024561
-0.01444646 -0.00454529 0.00118240
8.22019502 0.28876884 -3.17503191
0.00043254 0.00082389 -0.00100161
0.00097814 0.00093383 0.01272277
7.66915924 2.19056162 -5.54739593
0.00049041 -0.00073992 0.00033378
0.00687951 -0.02274773 0.00220702
1.22620919 -10.64565087 1.72945238
0.00025253 -0.00018420 -0.00088186
-0.01204887 0.00942896 -0.00009428
0.26049492 -8.31352828 0.07015125
-0.00053887 0.00029448 0.00064018
0.00613546 0.00519138 0.00193462
-19.90030334 -1.39176453 6.64283303
-0.00037004 0.00038895 0.00063329
-0.00590105 -0.00062599 -0.01039646
-20.95810771 0.23732662 4.24896325
-0.00066087 0.00011606 0.00027480
0.01916664 -0.03347501 0.01745665
-3.62893156 8.31292135 -25.00233906
0.00019062 0.00160573 -0.00032509
-0.02290620 -0.02121365 0.02199927
-4.40579109 9.07112235 -22.37894916
0.00025986 0.00063579 -0.00101990
-0.00809186 -0.02766419 -0.00722670
3.65564198 0.98174094 -0.94712635
0.00002242 0.00061896 0.00010369
0.00173822 -0.01452545 -0.00389930
0.95313908 1.85390744 -2.19200443
0.00057597 -0.00151965 0.00027887
0.01738796 -0.01665419 0.01506086
16.17246331 7.50481822 6.41366535
-0.00086097 -0.00041089 -0.00038268
-0.00705331 0.00704806 -0.01211215
15.80406883 9.12773565 3.97047077
-0.00030917 -0.00136757 0.00003093
0.01045980 0.04097334 -0.01424500
-0.35356105 -11.81661446 -13.35696403
-0.00000163 0.00000644 0.00024629
0.00801235 -0.00197867 -0.00049135
-13.93369930 14.52891609 22.13296561
-0.00001452 -0.00010303 0.00014550
0.00004737 -0.00318002 0.00134536
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02627772
0.32849322
437.70074673
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4515533791 (a.u.)
total exchange computation time: 2.7368898392 s
-154.3612990761
-931.35034057
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4501843466 (a.u.)
total exchange computation time: 2.7366368771 s
-154.3726389183
Anderson extrapolation: theta=1.3410182226 (1.3410182226)
-931.35063314
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4482277163 (a.u.)
total exchange computation time: 2.7364058495 s
-154.3885471074
Anderson extrapolation: theta=0.0501981934 (0.0501981934)
-931.35080565
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4480353756 (a.u.)
total exchange computation time: 2.7366569042 s
-154.3899800760
Anderson extrapolation: theta=1.8897902288 (1.8897902288)
-931.35081185
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4476430545 (a.u.)
total exchange computation time: 2.7387490273 s
-154.3928724359
Anderson extrapolation: theta=0.2177293554 (0.2177293554)
-931.35081821
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.4475485814 (a.u.)
total exchange computation time: 2.7408499718 s
-154.3935425392
Anderson extrapolation: theta=1.8839087803 (1.8839087803)
-931.35081943
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.4473935382 (a.u.)
total exchange computation time: 2.7367289066 s
-154.3946078662
Anderson extrapolation: theta=0.2823852690 (0.2823852690)
-931.35082096
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.4473746798 (a.u.)
total exchange computation time: 2.7373847961 s
-154.3947014313
Anderson extrapolation: theta=1.3000219198 (1.3000219198)
-931.35082131
-208.475615 50.495195 -160.694616
-133.849916 459.917772 -799.207659
-342.325530 510.412968 -959.902275
1139.789693
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4473708001 (a.u.)
total exchange computation time: 2.7377989292 s
680.25390606
-1086.53046599
89.58716642
-387.18830575
-175.02575149
79.76940245
551.60419304
0.00000000
-931.35082155
-10.91278237 -4.23167870 6.71956953
-0.00022681 -0.00000590 -0.00010572
0.03178911 -0.01554796 0.01695280
-14.11574726 3.52207798 9.41224668
0.00026059 0.00024049 -0.00018935
-0.00391758 0.00621474 0.00503857
-15.98804232 1.31859487 3.46889413
0.00001611 0.00006786 -0.00006770
0.04474300 0.02239948 0.02471381
2.47617783 -19.80824517 12.82948431
0.00024620 -0.00005295 0.00002773
-0.02518556 -0.01742545 -0.06179842
9.62661272 20.38766374 0.97200285
0.00016136 -0.00010128 0.00036164
-0.02988787 0.02089871 0.01378508
-11.94497727 12.60519473 15.10706924
-0.00037642 -0.00018123 0.00020180
0.02728537 -0.01126659 0.00152730
-6.29940313 1.50487466 -12.23996377
0.00018994 -0.00013191 -0.00035604
-0.00263856 -0.02665302 0.02080112
-7.40042807 7.81120490 -5.91162618
0.00001567 -0.00010823 -0.00005670
0.01405756 -0.00557898 -0.01248611
-7.67794460 -4.38782323 17.83189022
-0.00019331 0.00020153 -0.00008649
0.01951521 -0.01766113 -0.02086297
-23.47786840 -4.98560964 -22.55723885
-0.00017403 -0.00041425 -0.00013754
0.00684400 0.02993955 0.00429430
6.64099437 12.77658867 6.05151121
0.00006067 -0.00010949 0.00000775
0.00139623 -0.00809184 0.02133382
24.68924666 30.41402046 -2.87953053
0.00008566 0.00021018 -0.00008792
0.01380615 -0.04036539 -0.00664968
7.92100397 -1.24040191 -14.46031649
0.00001130 0.00026160 -0.00040912
-0.01241501 0.02414514 0.01755390
-7.25141964 -0.93941785 14.39343805
-0.00038277 -0.00011724 0.00020118
0.04108883 0.04820238 -0.01819468
-1.89968633 -26.23666990 11.31839456
0.00033560 0.00003190 -0.00013150
0.02162941 0.00299003 0.01063578
-14.16688697 -4.59908285 -7.04458574
0.00029966 0.00025532 0.00014129
-0.00408753 0.00453536 -0.00488300
-19.98842013 -12.53350665 -17.81170496
0.00004301 -0.00011952 0.00031579
-0.04343925 -0.03442679 -0.03479704
22.70820137 3.63140914 3.03536931
0.00021059 -0.00000598 -0.00015595
-0.00926544 -0.02899541 -0.00011174
17.76362672 -10.12220759 -14.35007654
-0.00006751 -0.00032134 0.00006626
0.04913122 -0.01512057 -0.01424702
-2.12225927 1.88384164 -7.09935515
0.00029828 -0.00011973 0.00026804
0.01083731 0.01919781 -0.00935108
-4.16099497 -3.04353453 -15.62322774
-0.00020719 -0.00002403 0.00002518
0.02728121 0.01479343 0.01059980
13.36076325 17.23794259 -20.15071069
-0.00010054 0.00022257 0.00026985
0.01259525 -0.02558119 0.01247609
-16.35125512 16.05905013 -12.08432524
0.00053520 -0.00005376 -0.00022912
0.03262320 0.00389305 -0.02226706
1.63123891 14.36426507 7.53788185
0.00057989 0.00057919 -0.00001699
-0.01683441 0.03906781 0.01482031
-5.25906929 -9.59684933 2.11092058
-0.00020375 -0.00019880 0.00031856
0.04411549 -0.04582990 0.03263865
3.07887825 -6.35295090 2.52687656
0.00003087 -0.00026004 0.00015898
0.04384897 -0.08497716 -0.01801603
10.85062669 4.87434347 4.52785771
-0.00000328 0.00014592 -0.00033135
0.03704552 -0.01128680 0.01663630
-8.52693814 -9.71205154 -2.67904200
-0.00005780 0.00018047 -0.00029820
-0.01209835 0.02128998 -0.00939168
3.15777179 -15.99356645 -13.22550424
0.00003546 0.00000017 0.00022281
-0.00078708 0.00343527 -0.00474407
4.85734193 -8.43787187 -5.65461524
-0.00016404 -0.00006772 0.00041237
-0.01391019 -0.01118379 0.02001581
18.56112330 0.85225753 24.77144559
-0.00006997 0.00042977 -0.00022327
-0.00281542 -0.01400098 0.00275971
-8.25443833 3.14200544 1.07702509
-0.00046586 -0.00004345 0.00016107
-0.00769995 -0.01708736 0.00300285
-7.84297705 14.21078854 -10.54931889
0.00020697 0.00000412 0.00020558
0.03785918 0.00976702 -0.03286089
1.69373345 11.38168187 -8.96574365
-0.00001150 -0.00000195 0.00006079
-0.00458854 -0.01662406 -0.03854854
-11.81680802 10.00589810 -13.82561212
0.00029520 0.00018366 -0.00011016
0.01727298 0.00788353 -0.05229025
7.17964417 4.31024405 14.69734148
-0.00043798 0.00043212 -0.00010174
-0.00427487 -0.04810898 -0.00934665
-14.64991945 9.32854250 -9.26447280
-0.00033903 -0.00044789 0.00041654
0.01186203 -0.00418958 0.00407649
8.53239194 8.32721237 -3.09549579
-0.00010563 -0.00021282 -0.00008504
-0.04980345 0.00184574 -0.02714614
13.69248736 -20.39732523 -25.74475756
0.00008013 -0.00012683 -0.00021992
0.01407546 -0.00725509 -0.02414306
6.33260333 6.49586611 2.66504624
-0.00017069 0.00003708 -0.00023131
0.00321896 0.05194524 -0.00996433
19.20562448 -5.77494301 -6.53474200
-0.00018470 -0.00001839 -0.00024166
-0.05143708 0.02194406 0.00755265
-1.71276244 0.06042439 -2.54111372
0.00019644 -0.00020191 -0.00033186
-0.02289725 0.00081639 0.02431334
2.37237535 -1.90310422 -12.32039519
-0.00016281 0.00017079 0.00037691
0.06155336 -0.00183294 -0.01523276
20.48202496 9.35939407 -5.25625018
-0.00043042 -0.00003176 -0.00006610
0.01557574 0.00837703 0.02830493
-7.47144014 6.46805920 9.43224052
-0.00004131 -0.00008156 0.00019120
-0.01042373 -0.00219013 0.02673948
-2.68425704 -14.60831986 11.55215475
0.00003472 -0.00000683 -0.00024307
0.02808658 -0.00449018 0.00468887
8.13733726 0.40633100 -4.96558444
-0.00005766 -0.00014833 0.00007935
-0.00270609 0.00530218 -0.02084590
-0.03695587 -10.06519557 0.48343713
-0.00010552 -0.00028312 -0.00015812
-0.00281525 -0.01634325 -0.00551523
-20.09561726 -1.42403138 4.76699760
-0.00017833 0.00028269 -0.00005278
-0.01802801 0.03493517 -0.00417955
-4.69069128 7.58029833 -23.51688739
0.00008639 -0.00013084 -0.00015491
0.03290883 0.05406598 -0.01200131
2.57715317 2.35506297 -1.33433659
0.00003816 -0.00014995 0.00044095
-0.02204395 0.03305150 -0.00805081
15.52551218 7.55008289 4.67454910
0.00008514 -0.00009135 -0.00005554
-0.01167407 -0.05604092 0.02050779
-9.29478918 -4.80204709 7.45686373
0.00035844 0.00026483 0.00039680
-0.02268277 0.00394195 -0.00249828
-10.44451241 -3.72768630 5.04037105
0.00063378 0.00002252 0.00051696
0.00418754 -0.00319625 -0.01479416
-12.90707954 4.68379203 8.76406040
0.00009467 -0.00018682 -0.00065592
0.00817312 0.02055417 -0.00084848
-13.45840589 2.01617219 8.65136783
-0.00019536 -0.00065123 -0.00028303
-0.00202943 -0.01760439 -0.00443978
-14.92323707 1.52076270 5.06091780
-0.00126690 0.00122990 0.00010162
-0.02096373 -0.00655190 -0.03380762
-17.14153032 0.04533250 4.01905868
0.00052735 0.00098158 -0.00006289
-0.02302491 -0.01570501 0.00610826
2.87429723 -21.27876076 11.64226346
0.00107387 -0.00005975 0.00018171
-0.01161572 0.02374640 0.01837978
3.48273138 -20.05983215 14.21915779
-0.00011404 0.00062821 -0.00027306
0.03521495 -0.00313305 0.04325903
8.54543396 18.91591107 1.04399106
-0.00029554 0.00049205 0.00091007
0.00749752 -0.01441582 -0.00930221
8.46678481 21.55547906 1.92328930
-0.00052748 -0.00059041 0.00024477
0.01781163 0.00020301 -0.01054048
-10.76888816 12.03802950 16.40977287
-0.00105851 -0.00085951 -0.00033878
-0.00208938 -0.00142271 -0.00264768
-12.53543794 14.14243734 15.78843763
-0.00001978 -0.00005932 0.00000664
-0.01226381 0.02716204 0.00495061
-5.47602280 0.17463423 -13.29075045
0.00073632 0.00006047 -0.00002676
-0.01468551 0.01564394 0.02089006
-6.81106784 0.74581831 -10.46007772
-0.00015388 -0.00026149 -0.00030854
0.01714346 0.00808121 -0.04144316
-6.78964346 6.40789236 -4.92388812
-0.00039018 0.00025788 -0.00057581
0.00359369 -0.00017687 0.00135994
-9.12984522 7.82177439 -5.46582468
0.00011324 0.00042901 0.00020049
-0.02261720 0.00248025 0.00198443
-8.55774903 -3.43883744 19.02049642
0.00078976 0.00005207 -0.00001408
-0.01673215 0.02834606 0.02246472
-7.74186864 -6.03132375 18.55356156
-0.00024917 0.00062884 -0.00031524
-0.00287232 -0.02383629 0.00545789
-23.18608797 -3.30249139 -23.33047442
-0.00001965 0.00034533 -0.00011165
-0.00757293 -0.01722854 -0.00665263
-23.14844523 -4.50846466 -20.81232477
0.00061499 -0.00086882 -0.00046456
-0.00664164 -0.01004669 -0.00358993
6.63912746 13.29488569 4.32904663
-0.00036356 0.00026320 -0.00022665
0.01061721 0.00129193 -0.01583391
8.10665143 11.68300676 6.44246243
-0.00040123 0.00074048 0.00045166
-0.00740143 0.00792794 -0.00702851
24.66519161 28.69275874 -2.13940424
0.00061867 0.00023748 -0.00058831
0.00013063 0.02183943 -0.00747996
23.92677315 31.53425572 -1.70644243
0.00066121 0.00000762 -0.00037347
-0.01127799 0.01682879 0.02000708
9.44294106 -2.28545834 -14.67998378
-0.00001460 0.00025578 -0.00133017
0.00246041 -0.00700840 0.00489254
7.76252960 -0.89961076 -12.65770364
0.00074903 -0.00100570 0.00092545
-0.00141128 -0.01229144 -0.01143582
-7.35275846 -0.11285122 16.04467109
-0.00006007 0.00029763 -0.00084926
-0.00981430 -0.01304279 -0.00361198
-8.37938569 -2.22100319 14.00810692
0.00003613 0.00093429 -0.00062932
-0.02790145 -0.02695512 0.01182897
-2.58636657 -26.67620743 13.01043018
-0.00065415 0.00009350 0.00017925
-0.00051186 -0.00160662 -0.01057000
-3.10811686 -25.90667007 10.03466290
0.00003403 0.00003859 0.00065752
-0.01695096 0.00029534 -0.00834340
-14.18974447 -2.89112951 -6.33104176
-0.00129190 -0.00012515 0.00024534
-0.00024039 -0.00019974 -0.00071540
-14.97142559 -4.51503578 -8.69454763
0.00027625 -0.00022502 -0.00001351
0.00463094 -0.00191937 -0.00001518
-19.18147992 -11.38328315 -16.78825810
-0.00132270 0.00054262 -0.00046640
0.03880268 0.03026563 0.02794474
-18.82821341 -13.83073025 -18.36914856
0.00078270 0.00011696 -0.00030851
0.01413926 0.00584981 0.00643597
23.48022102 3.18917930 1.34372039
0.00115836 -0.00076566 0.00037342
0.00261831 0.02438899 0.01417337
22.91057348 5.20653877 3.89916262
-0.00057275 -0.00021044 0.00065263
0.00862135 0.00585569 -0.01026878
16.36002917 -9.84649427 -13.36624734
-0.00006897 -0.00074753 -0.00046716
-0.04625846 0.01271493 0.03552686
17.26660944 -9.73960103 -16.02746881
-0.00119931 -0.00073437 -0.00031476
-0.00290588 0.00647488 -0.02144870
-0.57444373 2.40986515 -8.00945519
-0.00028330 -0.00084800 -0.00021550
-0.00225367 -0.00095361 0.00896535
-2.34806064 0.26891364 -7.84881398
0.00084042 -0.00072849 0.00132472
-0.01261913 -0.01721941 -0.00560356
-5.64066231 -3.24874299 -16.57093706
0.00010462 -0.00088792 -0.00037176
-0.02648368 -0.00883230 -0.01654215
-3.24580044 -1.83142876 -16.68128009
-0.00084715 0.00049425 0.00018768
-0.00263871 -0.00224845 0.00267868
12.89141818 18.77430523 -20.96277750
0.00022986 0.00032575 0.00107727
-0.01387162 0.00803966 -0.00688127
11.88359475 16.10272232 -20.17811431
-0.00004039 -0.00062162 0.00062319
0.00640898 0.01401178 -0.00762288
-15.30636584 15.48983923 -13.60734568
-0.00050209 0.00073610 0.00045508
-0.01580286 0.01209641 0.02923651
-17.84354415 15.13559411 -12.48621096
0.00067383 0.00043716 0.00089468
-0.01875328 -0.01591239 0.00182534
2.73701856 15.14774178 6.26924770
0.00048319 -0.00059578 -0.00097030
-0.01009882 -0.00859288 0.00078967
0.61612163 15.82229300 8.26862573
0.00040815 -0.00064646 0.00017269
0.01595647 -0.03252402 -0.01620111
-6.21044757 -8.44165309 1.24791842
0.00043505 0.00073142 -0.00074701
-0.02904194 0.04450024 -0.02723116
-3.46722182 -9.32925572 1.66170821
-0.00028597 -0.00063946 -0.00001199
-0.00893842 -0.00330992 -0.00020824
2.50049068 -4.79789680 2.77258268
-0.00089846 -0.00001364 0.00038292
-0.03209518 0.09577113 0.01954303
4.48153562 -6.16798436 1.33497065
0.00011227 -0.00114250 -0.00013306
-0.00113991 -0.00763095 0.00609312
9.31510231 5.73529748 4.33471531
0.00003953 -0.00045762 -0.00004170
-0.02921434 0.01938160 -0.01165441
12.18452038 6.16121842 4.73416636
-0.00030664 0.00045850 0.00010201
-0.00374642 -0.00680394 -0.00156419
-7.59204386 -11.12955813 -2.16371909
0.00142436 -0.00026519 -0.00074902
0.02141334 -0.02672592 0.00093220
-9.75385139 -9.51852309 -1.36223911
0.00005995 0.00087439 -0.00037295
-0.01280647 0.00718182 0.00482177
4.59990605 -16.64762931 -14.25694432
-0.00031368 0.00036953 -0.00030401
-0.02307430 0.00351494 0.03938544
2.98151251 -16.66064566 -11.46897018
0.00175787 -0.00019494 -0.00107136
0.01814784 -0.00418148 -0.03417021
5.83898425 -6.97051685 -6.12323603
0.00013423 0.00081734 0.00033114
0.00569555 0.00850595 0.00697152
4.89889262 -8.57303389 -3.79229637
0.00034707 0.00128090 -0.00035042
0.00388812 0.00585991 -0.02305246
16.84002523 1.43377182 24.47759198
-0.00024423 -0.00067116 0.00046799
0.00345838 0.00953824 0.00158898
19.69384882 2.27021502 25.12712153
0.00104433 -0.00001143 -0.00113381
-0.00506405 0.00166778 -0.00408282
-9.71678305 3.13796171 2.24917086
-0.00085211 0.00092124 0.00081451
0.01068462 0.01308384 -0.00642237
-7.73537426 4.85602023 0.80741451
0.00051609 -0.00041379 -0.00020076
0.00357583 0.00887963 0.00663971
-6.53619191 14.58518931 -9.35704344
0.00102486 -0.00064980 0.00108347
0.00543451 0.00249423 0.00536951
-9.26333224 13.85740808 -9.58812881
0.00039962 -0.00010400 0.00016960
-0.04129955 -0.01290988 0.02630751
0.07727569 10.91871608 -8.29601090
0.00012847 -0.00030393 0.00005994
0.00103552 0.00492216 0.01567099
2.50111803 12.63552765 -7.96289214
0.00092414 0.00046194 0.00043707
0.00582251 0.01007056 0.02093017
-10.41362879 8.89393048 -13.66737899
-0.00008585 0.00064675 -0.00019248
0.02053655 -0.00968423 -0.00766697
-12.50997411 9.84356560 -12.24866283
-0.00004124 0.00028406 -0.00013394
-0.03814800 -0.00028159 0.05958026
7.14357428 5.98297053 15.21141758
0.00018614 0.00000241 0.00095855
0.00318565 0.04294764 -0.00620070
7.23731713 4.10390324 12.85168744
-0.00049506 -0.00060003 0.00006837
0.00545451 0.01107730 0.00985393
-14.05126024 10.79198368 -8.28729265
0.00078639 0.00073969 -0.00021707
0.00802056 -0.00515722 0.00061709
-16.32968503 9.78012235 -9.64637652
0.00057525 0.00070335 -0.00067598
-0.02673021 0.00135097 -0.00837268
8.71110269 9.80756409 -2.04173744
-0.00040098 0.00049057 0.00006648
-0.00364254 0.00469752 -0.00273436
6.85911657 8.64055996 -4.09799752
0.00114257 -0.00090816 -0.00145576
0.05144564 -0.00283316 0.03511881
12.15506318 -20.43101276 -26.68396693
0.00046628 0.00040768 0.00029557
-0.01362281 0.00249859 0.00092884
13.40831389 -19.70373323 -24.07819940
0.00067117 -0.00013525 0.00040236
-0.00190159 -0.00163925 0.01424013
5.66375249 4.87294771 2.72131379
0.00043914 0.00095540 0.00035530
-0.01325024 -0.04816034 -0.00227143
6.29963719 7.04258736 0.90117556
-0.00001203 0.00135682 -0.00021477
0.00578394 -0.00572538 0.00971023
20.49227580 -6.56167891 -5.62489848
-0.00034614 0.00051717 -0.00065682
0.02291651 -0.01485774 0.01965574
17.87594015 -5.15470588 -5.30779858
-0.00021044 -0.00058327 -0.00031081
0.02260112 -0.00663321 -0.01973633
-3.09899721 0.10638963 -1.21728194
0.00017337 0.00039094 0.00029904
0.02939371 0.00824746 -0.02619869
-2.18788029 1.01889537 -4.07773770
-0.00127263 0.00038604 0.00013876
-0.00404617 -0.00797721 0.00281820
3.53613644 -3.38757576 -12.09173241
0.00063858 -0.00059937 0.00002948
-0.00682781 0.01938934 -0.00520797
0.86638342 -2.33849516 -11.51081591
-0.00073792 0.00012476 0.00010657
-0.04418588 -0.01841009 0.01853946
20.12859478 8.27422422 -6.59062541
-0.00140029 0.00053246 0.00055695
-0.02014884 -0.02276235 -0.03662929
22.07951765 8.58120036 -4.65270088
-0.00126681 -0.00000008 -0.00062973
-0.00195853 0.01359792 0.00281829
-7.58819869 4.70313362 8.91717235
0.00008894 0.00002404 -0.00015761
0.00493696 -0.00479551 0.00205442
-7.35439568 6.27216455 11.28752821
-0.00049360 -0.00014367 -0.00102773
-0.00461759 0.00485157 -0.02051584
-3.00146782 -16.40171456 11.75515228
0.00023167 0.00017584 -0.00086202
-0.00777517 0.00793692 -0.00241246
-4.17156423 -13.63686272 11.79149941
0.00075909 0.00046792 -0.00023997
-0.01746715 -0.00346650 0.00157908
8.22671306 0.30115585 -3.18966612
0.00043787 0.00082563 -0.00092995
0.00163118 -0.00008298 0.02235265
7.67672626 2.17876579 -5.54232162
0.00051618 -0.00082615 0.00033962
0.00573373 -0.01946481 0.00065406
1.22962797 -10.64812500 1.71622166
0.00020505 -0.00014710 -0.00087941
-0.01119516 0.00873460 0.00129066
0.25259990 -8.30895200 0.07981329
-0.00051465 0.00031091 0.00064838
0.00571915 0.00285261 0.00207751
-19.90603474 -1.38594943 6.65201374
-0.00039452 0.00038554 0.00058356
-0.00608445 -0.00104238 -0.01394477
-20.96743336 0.23804175 4.25362015
-0.00058233 -0.00002009 0.00034521
0.01927651 -0.03317363 0.01701060
-3.62677425 8.33635731 -25.00654134
0.00009433 0.00151324 -0.00023323
-0.02422444 -0.02406089 0.02296730
-4.40214111 9.07981151 -22.39446918
0.00022554 0.00052127 -0.00104645
-0.00870905 -0.02839375 -0.00576861
3.65603155 0.99058017 -0.94569048
0.00003831 0.00055095 0.00009080
0.00604081 -0.01876546 -0.00241079
0.96231150 1.83060233 -2.18735987
0.00064489 -0.00158522 0.00033960
0.01634758 -0.01544060 0.01466563
16.15933255 7.49887083 6.40755397
-0.00088595 -0.00038147 -0.00042412
-0.00517318 0.00735221 -0.00817288
15.79975173 9.10847769 3.97049828
-0.00026229 -0.00117817 -0.00003695
0.01248950 0.05173864 -0.01898340
-0.35356404 -11.81652318 -13.35327098
0.00000127 0.00000574 0.00024610
0.00820683 -0.00191218 -0.00058561
-13.93391697 14.52736517 22.13515049
-0.00001452 -0.00010378 0.00014581
-0.00003604 -0.00329920 0.00130236
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02623547
0.32458609
432.49468520
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4611924450 (a.u.)
total exchange computation time: 2.7374269962 s
-154.3956809724
-931.34833097
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4596446904 (a.u.)
total exchange computation time: 2.7376251221 s
-154.4084763222
Anderson extrapolation: theta=1.3391712779 (1.3391712779)
-931.34863758
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.4574461816 (a.u.)
total exchange computation time: 2.7374210358 s
-154.4263288576
Anderson extrapolation: theta=0.0499240477 (0.0499240477)
-931.34881813
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.4572389669 (a.u.)
total exchange computation time: 2.7366790771 s
-154.4278702730
Anderson extrapolation: theta=1.8885297717 (1.8885297717)
-931.34882459
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4568186823 (a.u.)
total exchange computation time: 2.7364740372 s
-154.4309699543
Anderson extrapolation: theta=0.2184008780 (0.2184008780)
-931.34883119
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4567183608 (a.u.)
total exchange computation time: 2.7377929688 s
-154.4316876056
Anderson extrapolation: theta=1.8871400625 (1.8871400625)
-931.34883245
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4565536384 (a.u.)
total exchange computation time: 2.7369029522 s
-154.4328361186
Anderson extrapolation: theta=0.2824051121 (0.2824051121)
-931.34883402
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4565337542 (a.u.)
total exchange computation time: 2.7390029430 s
-154.4329430915
Anderson extrapolation: theta=1.2954793415 (1.2954793415)
-931.34883438
-208.444879 50.515764 -160.679877
-133.830051 459.951681 -799.252166
-342.274930 510.467445 -959.932043
1139.823963
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.4565300608 (a.u.)
total exchange computation time: 2.6535148621 s
680.40549094
-1086.83945955
89.56999553
-386.97773204
-175.05059944
79.93993332
551.60419304
0.00000000
-931.34883462
-10.91606195 -4.23182712 6.71804919
-0.00020967 -0.00001438 -0.00009607
0.03487745 -0.01743789 0.02057287
-14.11185347 3.52570930 9.40942588
0.00025868 0.00024235 -0.00018712
-0.00351005 0.00100263 0.00364754
-15.98762812 1.31969923 3.46797395
0.00003980 0.00008070 -0.00005596
0.04737273 0.02749964 0.02092561
2.47977369 -19.80910656 12.82966184
0.00023269 -0.00006190 -0.00000501
-0.02734560 -0.01738602 -0.06550849
9.62891777 20.38622518 0.97748069
0.00014580 -0.00009030 0.00036887
-0.03059075 0.02179309 0.01430970
-11.95051829 12.60243282 15.11010208
-0.00036315 -0.00018672 0.00020166
0.02432205 -0.01008686 -0.00203795
-6.29656417 1.50279324 -12.24522409
0.00018844 -0.00014552 -0.00034508
-0.00321656 -0.02629302 0.02182400
-7.40013877 7.80955994 -5.91252486
0.00002233 -0.00011001 -0.00006385
0.01182373 -0.00132931 -0.01533355
-7.68076896 -4.38486843 17.83051242
-0.00018274 0.00019264 -0.00009829
0.02158460 -0.01691136 -0.02502107
-23.48045246 -4.99170796 -22.55928534
-0.00017042 -0.00039806 -0.00013630
0.00720057 0.03303688 0.00050357
6.64190977 12.77491506 6.05170981
0.00006022 -0.00011256 0.00001780
-0.00312470 -0.00385152 0.01772011
24.69058480 30.41701741 -2.88087503
0.00009325 0.00018917 -0.00009236
0.01570291 -0.04131142 -0.01060759
7.92112552 -1.23638483 -14.46638552
0.00000488 0.00027423 -0.00039829
-0.01253769 0.02500322 0.02452989
-7.25700268 -0.94099048 14.39638564
-0.00036008 -0.00009158 0.00019083
0.04714710 0.05155467 -0.02208018
-1.89456888 -26.23617986 11.31646309
0.00034649 0.00003306 -0.00012463
0.02070042 0.00150237 0.01608625
-14.16240788 -4.59523561 -7.04248520
0.00029732 0.00025711 0.00013837
-0.00499144 0.00242946 -0.00645965
-19.98794251 -12.53543218 -17.80710236
0.00002054 -0.00013896 0.00029673
-0.04393897 -0.04118615 -0.03931266
22.71132448 3.63120754 3.03302957
0.00020570 -0.00002081 -0.00015578
-0.00976833 -0.02867436 0.00079645
17.76280362 -10.12708595 -14.34913762
-0.00004228 -0.00032880 0.00005724
0.04896358 -0.01389644 -0.02080706
-2.11774319 1.88211969 -7.09537061
0.00030318 -0.00011040 0.00026330
0.00819032 0.01711591 -0.00907300
-4.16399758 -3.04383795 -15.62280911
-0.00019356 -0.00001646 0.00003053
0.02570813 0.01464009 0.01019712
13.35930373 17.24118250 -20.14661478
-0.00009416 0.00020825 0.00027667
0.01223364 -0.03011374 0.01404234
-16.34310130 16.05825874 -12.08784798
0.00055188 -0.00005052 -0.00023879
0.03225256 0.00870256 -0.01533327
1.63987227 14.37310366 7.53768424
0.00057185 0.00059789 -0.00000978
-0.01442838 0.03365812 0.01321558
-5.26195532 -9.60000806 2.11582481
-0.00018267 -0.00022053 0.00033396
0.03783178 -0.03869160 0.02725934
3.07951051 -6.35717930 2.52919180
0.00005263 -0.00030160 0.00015011
0.04073488 -0.07661951 -0.01650177
10.85072044 4.87648875 4.52295165
0.00001636 0.00013988 -0.00032267
0.03932774 -0.01221971 0.01712868
-8.52785188 -9.70926234 -2.68355116
-0.00006258 0.00018964 -0.00030273
-0.00647295 0.01437014 -0.00823812
3.15830061 -15.99355062 -13.22218036
0.00003526 0.00000258 0.00021855
0.00002977 0.00593418 -0.01183955
4.85482774 -8.43893083 -5.64835249
-0.00017008 -0.00007163 0.00042078
-0.00958046 -0.00402922 0.01269532
18.56006294 0.85865004 24.76810712
-0.00007068 0.00042216 -0.00022177
0.00004595 -0.01558894 0.00308338
-8.26145598 3.14128776 1.07945269
-0.00047053 -0.00005227 0.00016311
-0.01046619 -0.01720078 0.00493066
-7.83972641 14.21088796 -10.54636191
0.00022805 0.00000960 0.00019005
0.04411097 0.01156460 -0.02754869
1.69354322 11.38158852 -8.96498048
-0.00001280 -0.00000902 0.00004194
-0.00045979 -0.01086702 -0.03474875
-11.81231340 10.00868336 -13.82746628
0.00030285 0.00018843 -0.00013650
0.01246267 0.01067427 -0.05013003
7.17305805 4.31654026 14.69577931
-0.00044019 0.00040684 -0.00010614
-0.00435425 -0.05020146 -0.00777666
-14.65495910 9.32180799 -9.25820893
-0.00033175 -0.00044893 0.00041947
0.01645626 0.00014077 0.00729848
8.53061540 8.32402723 -3.09687609
-0.00013030 -0.00021115 -0.00009810
-0.04613296 0.00463518 -0.02362659
13.69374356 -20.39925571 -25.74814950
0.00008836 -0.00013020 -0.00023082
0.01792231 -0.00582066 -0.01823026
6.33005545 6.49662261 2.66153817
-0.00016801 0.00006646 -0.00023686
0.00719922 0.06232639 -0.01163324
19.20265557 -5.77513424 -6.53833777
-0.00021188 -0.00000674 -0.00023862
-0.05426638 0.02335529 0.00425935
-1.70990411 0.05739886 -2.54599790
0.00018391 -0.00020111 -0.00031932
-0.02584642 0.00230063 0.02446500
2.37017068 -1.90054951 -12.31480024
-0.00013106 0.00016862 0.00036956
0.06189918 -0.00659269 -0.01334894
20.47562872 9.35895000 -5.25713252
-0.00042324 -0.00002604 -0.00005101
0.01233588 0.01385435 0.03036402
-7.47210001 6.46682738 9.43521160
-0.00004683 -0.00008258 0.00020269
-0.01102586 -0.00177108 0.01795387
-2.68362788 -14.60843966 11.54852677
0.00004996 -0.00000890 -0.00024084
0.03117303 -0.00354172 0.00397402
8.13646198 0.40412645 -4.96447457
-0.00005901 -0.00014631 0.00006671
-0.00255064 0.00258669 -0.02829798
-0.03854953 -10.06950538 0.48104411
-0.00010715 -0.00029063 -0.00016142
-0.00353390 -0.01285943 -0.00732581
-20.09836171 -1.41965625 4.76618970
-0.00018747 0.00030041 -0.00005391
-0.01753309 0.03395559 -0.00017592
-4.68926851 7.57854429 -23.51925736
0.00010365 -0.00010239 -0.00016166
0.03421323 0.05654895 -0.01422534
2.57764054 2.35294128 -1.32775338
0.00002614 -0.00013236 0.00043656
-0.02469297 0.03531890 -0.00900751
15.52674432 7.54849647 4.67379514
0.00007822 -0.00012250 -0.00004507
-0.01527359 -0.06508631 0.02018659
-9.29010768 -4.79795387 7.46273924
0.00025899 0.00028292 0.00038449
-0.02599914 0.00491460 -0.00352964
-10.43487745 -3.72744637 5.04767218
0.00065147 0.00001102 0.00045108
0.00447384 -0.00243747 -0.01745559
-12.90540898 4.68161950 8.75419561
0.00013041 -0.00010149 -0.00066048
0.00932087 0.02121676 -0.00138570
-13.46139846 2.00586424 8.64698633
-0.00020722 -0.00071456 -0.00029723
-0.00377686 -0.01339683 -0.00251224
-14.94288297 1.53901036 5.06140612
-0.00134779 0.00120327 -0.00003259
-0.01863007 -0.00648169 -0.03188922
-17.13432557 0.05957498 4.01830255
0.00042309 0.00090670 -0.00003402
-0.02801415 -0.02095176 0.00802470
2.89004930 -21.27892929 11.64555238
0.00102520 0.00003720 0.00025672
-0.01220732 0.02371034 0.01833490
3.48209986 -20.05050504 14.21638755
0.00003498 0.00061504 -0.00008866
0.03773402 -0.00331489 0.04700248
8.54123057 18.92285011 1.05735710
-0.00026511 0.00042925 0.00087105
0.00739986 -0.01632467 -0.00980179
8.45941834 21.54662912 1.92663779
-0.00045285 -0.00058695 0.00020191
0.01872481 0.00149136 -0.01043537
-10.78482988 12.02509331 16.40461001
-0.00106151 -0.00086745 -0.00034308
0.00062431 -0.00246806 0.00054485
-12.53611040 14.14237985 15.78868893
-0.00006943 0.00005173 0.00002749
-0.01204119 0.02719611 0.00525493
-5.46542804 0.17602061 -13.29051173
0.00067664 0.00012298 0.00005732
-0.01452787 0.01495446 0.02026895
-6.81285065 0.74214356 -10.46597576
-0.00008300 -0.00022773 -0.00047837
0.01755103 0.00844770 -0.04168833
-6.79538600 6.41175511 -4.93248357
-0.00037142 0.00024832 -0.00056411
0.00558667 -0.00450352 0.00436432
-9.12883974 7.82828551 -5.46275657
0.00002147 0.00043934 0.00020854
-0.02230486 0.00257557 0.00195769
-8.54641528 -3.43718774 19.02097354
0.00071752 0.00017332 0.00008369
-0.01863178 0.03100647 0.02539436
-7.74569416 -6.02262162 18.54900025
-0.00026118 0.00052425 -0.00029027
-0.00300888 -0.02736064 0.00676252
-23.18661485 -3.29783940 -23.33235307
-0.00005214 0.00026744 -0.00013549
-0.00832984 -0.02089720 -0.00501350
-23.13942387 -4.52180477 -20.81940312
0.00058831 -0.00090845 -0.00047478
-0.00641914 -0.00935546 -0.00141636
6.63399941 13.29887324 4.32516169
-0.00031912 0.00026585 -0.00028486
0.01113835 0.00000602 -0.01266203
8.10040625 11.69435685 6.44902196
-0.00042326 0.00076689 0.00042323
-0.00338295 0.00500368 -0.00688998
24.67447566 28.69699023 -2.14845815
0.00061838 0.00032402 -0.00061673
-0.00027050 0.02052051 -0.00643215
23.93634565 31.53488566 -1.71143146
0.00061156 0.00008062 -0.00028629
-0.01302331 0.01890887 0.02266899
9.44279750 -2.28183642 -14.69978643
-0.00000539 0.00022782 -0.00130962
0.00204514 -0.00667589 0.00516857
7.77372183 -0.91507287 -12.64417224
0.00074431 -0.00105784 0.00086459
-0.00090016 -0.01323164 -0.01835929
-7.35396027 -0.10878647 16.03182153
-0.00010203 0.00024839 -0.00085383
-0.01072661 -0.01105737 0.00137489
-8.37969866 -2.20781482 13.99902963
-0.00008878 0.00081310 -0.00058375
-0.03324532 -0.03236887 0.01047429
-2.59619453 -26.67485412 13.01279507
-0.00065148 0.00008839 0.00013042
0.00181932 -0.00089609 -0.01333349
-3.10812585 -25.90608223 10.04427004
-0.00003808 0.00004111 0.00061827
-0.01834744 0.00093927 -0.01086823
-14.20913039 -2.89301281 -6.32738366
-0.00129206 -0.00012220 0.00024402
0.00016558 0.00164111 0.00007262
-14.96713992 -4.51846986 -8.69475076
0.00029595 -0.00023286 -0.00001204
0.00501226 -0.00192096 0.00073336
-19.20013144 -11.37421645 -16.79439774
-0.00115903 0.00067367 -0.00034627
0.04131508 0.03388596 0.03086001
-18.81603968 -13.82879663 -18.37357898
0.00083622 0.00014686 -0.00027895
0.01206070 0.00878676 0.00803309
23.49767663 3.17844180 1.34975599
0.00116881 -0.00066448 0.00043050
0.00249887 0.02513569 0.01376883
22.90224642 5.20356157 3.90863739
-0.00053695 -0.00018820 0.00060905
0.00890237 0.00503093 -0.01106546
16.35757712 -9.85731756 -13.37216613
-0.00026176 -0.00069540 -0.00031795
-0.04811154 0.01280230 0.03751262
17.24853074 -9.75041814 -16.03284740
-0.00120684 -0.00071051 -0.00039318
-0.00077756 0.00520537 -0.01693839
-0.57876234 2.39711586 -8.01241294
-0.00028703 -0.00084839 -0.00018116
0.00042989 0.00076329 0.00784362
-2.33584103 0.25745867 -7.82911497
0.00078843 -0.00079781 0.00130298
-0.01283246 -0.01671619 -0.00503590
-5.63990457 -3.26233241 -16.57702038
-0.00000137 -0.00092440 -0.00043813
-0.02540029 -0.00902352 -0.01594494
-3.25858859 -1.82408385 -16.67838284
-0.00085674 0.00048582 0.00019781
-0.00205525 -0.00188020 0.00227885
12.89444098 18.77943782 -20.94682932
0.00017031 0.00036243 0.00104630
-0.01527619 0.00991601 -0.00827817
11.88318525 16.09382742 -20.16900003
-0.00001021 -0.00055907 0.00059138
0.00836687 0.01660457 -0.00795087
-15.31438148 15.50125139 -13.59962363
-0.00055824 0.00078111 0.00056290
-0.01168255 0.00993583 0.02354283
-17.83401128 15.14166386 -12.47273489
0.00058957 0.00036712 0.00089968
-0.02249412 -0.01836917 0.00062274
2.74395692 15.13854171 6.25471743
0.00044002 -0.00062889 -0.00096485
-0.01103384 -0.00761100 0.00187611
0.62273282 15.81159951 8.27071956
0.00047007 -0.00077045 0.00010785
0.01435469 -0.02817119 -0.01553857
-6.20481183 -8.42931822 1.23587880
0.00032714 0.00089942 -0.00084800
-0.02377605 0.03773715 -0.02220162
-3.47178530 -9.33894899 1.66152193
-0.00032055 -0.00065347 -0.00001198
-0.00798588 -0.00354828 0.00021489
2.48603024 -4.79516668 2.77892536
-0.00102083 0.00035830 0.00045840
-0.02780308 0.08629781 0.01740345
4.48318481 -6.18535569 1.33316144
0.00010548 -0.00117104 -0.00010663
-0.00218538 -0.00633933 0.00684307
9.31480003 5.72902716 4.33373275
-0.00008443 -0.00037586 -0.00008983
-0.03146234 0.02063940 -0.01190879
12.17980604 6.16788746 4.73564857
-0.00032203 0.00043028 0.00009523
-0.00378970 -0.00700930 -0.00175649
-7.57002222 -11.13435501 -2.17492583
0.00149886 -0.00035805 -0.00074873
0.01505472 -0.01872507 -0.00079031
-9.75334463 -9.50518714 -1.36768554
0.00000897 0.00090113 -0.00035190
-0.01214672 0.00590543 0.00548018
4.59449381 -16.64197867 -14.26029760
-0.00040625 0.00038388 -0.00014511
-0.02223897 0.00351035 0.03839892
3.00843661 -16.66369783 -11.48608770
0.00182845 -0.00021683 -0.00119447
0.01640283 -0.00653495 -0.02609392
5.84117226 -6.95799610 -6.11805527
0.00015032 0.00084119 0.00036084
0.00217748 0.00316932 0.00756637
4.90421778 -8.55364085 -3.79825907
0.00036170 0.00130153 -0.00043146
0.00327398 0.00423933 -0.01661904
16.83646774 1.42399676 24.48466046
-0.00023262 -0.00062868 0.00047394
0.00222682 0.01125234 0.00132370
19.70935852 2.27009463 25.10998924
0.00102063 -0.00000463 -0.00115048
-0.00653518 0.00166057 -0.00407448
-9.72923732 3.15218124 2.26119175
-0.00080249 0.00097477 0.00078308
0.01360571 0.01311962 -0.00896308
-7.72752336 4.85008550 0.80460657
0.00053050 -0.00037745 -0.00017336
0.00347826 0.00890889 0.00677062
-6.52065256 14.57551876 -9.34062691
0.00103457 -0.00064309 0.00109406
-0.00067787 0.00078788 -0.00018404
-9.25860346 13.85545252 -9.58477867
0.00023051 -0.00015683 0.00027757
-0.04148078 -0.01295320 0.02654440
0.07923451 10.91430792 -8.29463157
0.00013257 -0.00028333 0.00012479
0.00097054 0.00516524 0.01607169
2.51515853 12.64276541 -7.95569478
0.00093958 0.00049100 0.00051428
0.00173844 0.00415284 0.01686694
-10.41428724 8.90333498 -13.67050109
0.00000504 0.00060141 -0.00022236
0.02395621 -0.01251087 -0.00696297
-12.51176165 9.84781786 -12.24884618
-0.00019447 0.00028270 0.00010422
-0.03685922 -0.00038331 0.05699913
7.14646395 5.98432273 15.22560587
0.00019938 0.00017762 0.00093058
0.00329771 0.04282117 -0.00749204
7.23005840 4.09524230 12.85301499
-0.00047247 -0.00055121 0.00010793
0.00560229 0.01281719 0.00950891
-14.03921865 10.80292099 -8.29052977
0.00081489 0.00070880 -0.00022008
0.00592964 -0.00996169 -0.00208956
-16.32187544 9.79071398 -9.65677278
0.00046135 0.00071010 -0.00071125
-0.02902073 0.00195217 -0.00889242
8.70497634 9.81506656 -2.04082409
-0.00041765 0.00050191 0.00004893
-0.00451704 0.00085297 -0.00585434
6.87783159 8.62685070 -4.11875778
0.00134715 -0.00091693 -0.00131291
0.04869858 -0.00146083 0.03481008
12.16163995 -20.42482092 -26.67950499
0.00040234 0.00041787 0.00029441
-0.01767599 0.00248779 -0.00149314
13.41832310 -19.70581218 -24.07172768
0.00066388 -0.00014449 0.00045444
-0.00166303 -0.00288453 0.01125602
5.66993357 4.88580292 2.72657372
0.00037732 0.00074172 0.00034416
-0.01701071 -0.05643806 -0.00318222
6.29963397 7.06276418 0.89825151
0.00001079 0.00132923 -0.00017030
0.00538860 -0.00777841 0.01205829
20.48778591 -6.55437671 -5.63414849
-0.00024480 0.00045209 -0.00057174
0.02669189 -0.01699946 0.02198995
17.87347608 -5.16365820 -5.31306557
-0.00012040 -0.00060873 -0.00038952
0.02147628 -0.00582811 -0.01879053
-3.09549591 0.11250650 -1.21359921
0.00029669 0.00042316 0.00019057
0.03096952 0.00752074 -0.02689833
-2.20709376 1.02444158 -4.07556989
-0.00128517 0.00035164 0.00015285
-0.00209165 -0.00886429 0.00407946
3.54550591 -3.39597217 -12.09144980
0.00060236 -0.00051144 0.00000735
-0.01090153 0.02365473 -0.00562414
0.85396060 -2.33718793 -11.50864921
-0.00090995 0.00005065 0.00017824
-0.04002412 -0.01786507 0.01654105
20.10697306 8.28151359 -6.58339352
-0.00148538 0.00043311 0.00039972
-0.02150573 -0.02586924 -0.04034043
22.06045548 8.58161578 -4.66206054
-0.00126500 0.00005085 -0.00061446
0.00284452 0.01133512 0.00466054
-7.58671325 4.70334730 8.91487123
0.00010907 0.00000470 -0.00014945
0.00491468 -0.00467492 0.00193850
-7.36194121 6.27015820 11.27148364
-0.00051086 -0.00012510 -0.00109374
-0.00383249 0.00423883 -0.01179620
-2.99823104 -16.39883370 11.74214805
0.00019825 0.00020451 -0.00087112
-0.00858578 0.00609675 -0.00204040
-4.16071307 -13.62995018 11.78794829
0.00068259 0.00045554 -0.00023290
-0.01998148 -0.00259428 0.00187860
8.23333106 0.31353778 -3.20293043
0.00044601 0.00082352 -0.00081995
0.00235431 -0.00095212 0.03149333
7.68464468 2.16577703 -5.53720721
0.00053699 -0.00089773 0.00033876
0.00445044 -0.01557431 -0.00107713
1.23236064 -10.65006381 1.70307005
0.00016150 -0.00011308 -0.00087098
-0.01012299 0.00791661 0.00283541
0.24505539 -8.30420090 0.08960266
-0.00049219 0.00031741 0.00065714
0.00527314 0.00032991 0.00221230
-19.91213902 -1.38019821 6.66033984
-0.00041956 0.00038033 0.00052043
-0.00616939 -0.00150983 -0.01695745
-20.97557763 0.23672380 4.25931957
-0.00050428 -0.00015348 0.00041317
0.01892930 -0.03211936 0.01625698
-3.62610156 8.35831866 -25.00933604
-0.00000634 0.00140975 -0.00013861
-0.02505623 -0.02660032 0.02334875
-4.39902486 9.08676053 -22.41034274
0.00018903 0.00040499 -0.00106619
-0.00916442 -0.02852898 -0.00389532
3.65679134 0.99826934 -0.94440236
0.00007111 0.00046682 0.00008374
0.01001556 -0.02241576 -0.00104729
0.97248581 1.80635092 -2.18181651
0.00070896 -0.00164574 0.00039837
0.01501392 -0.01418680 0.01410409
16.14588476 7.49337402 6.40094170
-0.00090299 -0.00035087 -0.00044851
-0.00316664 0.00762753 -0.00376555
15.79620006 9.09239060 3.96936237
-0.00020790 -0.00094886 -0.00012251
0.01413454 0.06050803 -0.02290220
-0.35352297 -11.81644217 -13.34958108
0.00000424 0.00000507 0.00024587
0.00838836 -0.00186065 -0.00068580
-13.93413478 14.52580276 22.13733989
-0.00001453 -0.00010456 0.00014611
-0.00009902 -0.00340933 0.00125059
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02621390
0.32262072
429.87593475
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4671287602 (a.u.)
total exchange computation time: 2.6547021866 s
-154.4165134761
-931.34848780
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4654661062 (a.u.)
total exchange computation time: 2.6537039280 s
-154.4302565293
Anderson extrapolation: theta=1.3381652748 (1.3381652748)
-931.34880152
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4631103306 (a.u.)
total exchange computation time: 2.6552450657 s
-154.4493879133
Anderson extrapolation: theta=0.0497970361 (0.0497970361)
-931.34898611
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.4628921210 (a.u.)
total exchange computation time: 2.6548180580 s
-154.4510094866
Anderson extrapolation: theta=1.8890130055 (1.8890130055)
-931.34899270
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.4624505783 (a.u.)
total exchange computation time: 2.6556870937 s
-154.4542657567
Anderson extrapolation: theta=0.2186218930 (0.2186218930)
-931.34899940
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4623457010 (a.u.)
total exchange computation time: 2.6557199955 s
-154.4550192004
Anderson extrapolation: theta=1.8874386873 (1.8874386873)
-931.34900066
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4621734632 (a.u.)
total exchange computation time: 2.6557130814 s
-154.4562294956
Anderson extrapolation: theta=0.2821247718 (0.2821247718)
-931.34900223
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.4621526408 (a.u.)
total exchange computation time: 2.6546709538 s
-154.4563467787
Anderson extrapolation: theta=1.2929340618 (1.2929340618)
-931.34900259
-208.424242 50.539858 -160.659509
-133.815060 459.986660 -799.294613
-342.239302 510.526518 -959.954121
1139.858316
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1363547864
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4621487204 (a.u.)
total exchange computation time: 2.6549949646 s
680.49900858
-1087.02456182
89.55707072
-386.85239068
-175.06598090
80.04202103
551.60419304
0.00000000
-931.34900283
-10.91907247 -4.23211007 6.71668757
-0.00019111 -0.00002370 -0.00008479
0.03728117 -0.01882586 0.02326585
-14.10798675 3.52934836 9.40663323
0.00025710 0.00024161 -0.00018566
-0.00266742 -0.00387862 0.00199453
-15.98684844 1.32101574 3.46721520
0.00006452 0.00009590 -0.00004631
0.04878784 0.03163892 0.01663174
2.48315858 -19.81010208 12.82933400
0.00021848 -0.00007079 -0.00003891
-0.02792087 -0.01720529 -0.06632785
9.63098682 20.38495474 0.98306893
0.00012995 -0.00007899 0.00037629
-0.03106096 0.02218978 0.01454438
-11.95587167 12.59959310 15.11311919
-0.00035151 -0.00019133 0.00019977
0.02091335 -0.00783867 -0.00533031
-6.29375003 1.50050897 -12.25031604
0.00018660 -0.00015878 -0.00033364
-0.00391420 -0.02525058 0.02262918
-7.39975825 7.80790472 -5.91354182
0.00002763 -0.00010959 -0.00007241
0.00878896 0.00295139 -0.01792648
-7.68342679 -4.38204409 17.82894160
-0.00017137 0.00018421 -0.00011182
0.02262069 -0.01586227 -0.02759670
-23.48298098 -4.99755142 -22.56132795
-0.00016667 -0.00038045 -0.00013699
0.00736937 0.03545362 -0.00318703
6.64280107 12.77321173 6.05204512
0.00005736 -0.00011337 0.00002583
-0.00802150 0.00070637 0.01349874
24.69204409 30.41969565 -2.88230137
0.00010167 0.00016806 -0.00009869
0.01704074 -0.04077537 -0.01398401
7.92115034 -1.23217486 -14.47226531
-0.00000150 0.00028718 -0.00038409
-0.01226907 0.02532891 0.03069834
-7.26222200 -0.94216539 14.39916288
-0.00033462 -0.00006468 0.00017835
0.05185646 0.05305942 -0.02646020
-1.88929174 -26.23567822 11.31465571
0.00035678 0.00003352 -0.00011521
0.01931106 0.00029206 0.02054957
-14.15796730 -4.59136963 -7.04043450
0.00029455 0.00025785 0.00013469
-0.00579597 0.00044378 -0.00785356
-19.98780386 -12.53767544 -17.80280305
-0.00000181 -0.00016132 0.00027586
-0.04296847 -0.04578088 -0.04185129
22.71437224 3.63078472 3.03069598
0.00020053 -0.00003539 -0.00015506
-0.01030498 -0.02802021 0.00197587
17.76235825 -10.13207152 -14.34835922
-0.00001780 -0.00033551 0.00004520
0.04625086 -0.01221705 -0.02603550
-2.11316393 1.88052978 -7.09145607
0.00030664 -0.00010233 0.00025867
0.00528957 0.01426644 -0.00893725
-4.16680185 -3.04402843 -15.62231181
-0.00018105 -0.00000906 0.00003551
0.02295066 0.01414916 0.00916094
13.35793858 17.24419009 -20.14241054
-0.00008792 0.00019184 0.00028421
0.01199649 -0.03370614 0.01525625
-16.33469865 16.05753450 -12.09148902
0.00056798 -0.00004487 -0.00024468
0.03035033 0.01326299 -0.00754395
1.64839431 14.38220192 7.53758858
0.00056519 0.00061358 -0.00000348
-0.01145893 0.02733552 0.01126111
-5.26454950 -9.60346527 2.12093934
-0.00016513 -0.00023826 0.00034634
0.03037792 -0.03025227 0.02087031
3.08045703 -6.36199880 2.53137975
0.00007225 -0.00033781 0.00014225
0.03556745 -0.06419911 -0.01405358
10.85111759 4.87853975 4.51817772
0.00003676 0.00013351 -0.00031379
0.03998534 -0.01254479 0.01739671
-8.52881554 -9.70636229 -2.68812387
-0.00006445 0.00019521 -0.00030660
-0.00080400 0.00728052 -0.00683052
3.15882965 -15.99348900 -13.21894781
0.00003530 0.00000645 0.00021055
0.00011936 0.00909387 -0.01925889
4.85223965 -8.44002086 -5.64199179
-0.00017394 -0.00007192 0.00042526
-0.00543841 0.00291482 0.00473427
18.55900293 0.86492229 24.76479245
-0.00006993 0.00041377 -0.00022011
0.00285241 -0.01701873 0.00339282
-8.26855437 3.14043739 1.08191833
-0.00047648 -0.00006100 0.00016604
-0.01264476 -0.01677059 0.00646581
-7.83613547 14.21107660 -10.54361746
0.00025177 0.00001583 0.00017748
0.04811512 0.01266916 -0.02131734
1.69334944 11.38141134 -8.96448538
-0.00001199 -0.00001311 0.00002509
0.00360533 -0.00505300 -0.03078160
-11.80772263 10.01155098 -13.82970718
0.00030785 0.00019447 -0.00016104
0.00697825 0.01280801 -0.04529375
7.16643834 4.32244919 14.69415714
-0.00044247 0.00038100 -0.00010952
-0.00450830 -0.05028745 -0.00535177
-14.65987180 9.31507456 -9.25188876
-0.00032245 -0.00044775 0.00042389
0.01968995 0.00444699 0.00988248
8.52848295 8.32087786 -3.09843866
-0.00015284 -0.00020810 -0.00010918
-0.04151250 0.00722106 -0.01948196
13.69513803 -20.40123110 -25.75168208
0.00009846 -0.00013281 -0.00023867
0.02135758 -0.00433748 -0.01228762
6.32756312 6.49785994 2.65794035
-0.00016352 0.00010059 -0.00024314
0.01026567 0.07037872 -0.01278427
19.19926801 -5.77514529 -6.54190068
-0.00024004 0.00000536 -0.00023719
-0.05521827 0.02370846 0.00132858
-1.70724517 0.05439107 -2.55069335
0.00017003 -0.00019956 -0.00030686
-0.02813102 0.00374506 0.02401033
2.36844354 -1.89804566 -12.30930828
-0.00009969 0.00016407 0.00036333
0.06010586 -0.01109221 -0.01090670
20.46932765 9.35861281 -5.25778060
-0.00041794 -0.00001780 -0.00003535
0.00826881 0.01821098 0.03055989
-7.47284494 6.46558189 9.43832118
-0.00005265 -0.00008338 0.00020938
-0.01163065 -0.00136393 0.00808271
-2.68275823 -14.60858679 11.54492946
0.00006663 -0.00001035 -0.00023895
0.03363209 -0.00211610 0.00339331
8.13556704 0.40194185 -4.96358302
-0.00006025 -0.00014588 0.00005057
-0.00228286 -0.00091755 -0.03449292
-0.04017046 -10.07391439 0.47859458
-0.00010919 -0.00029630 -0.00016568
-0.00439804 -0.00920968 -0.00923923
-20.10124142 -1.41501916 4.76538045
-0.00019626 0.00031743 -0.00005303
-0.01664388 0.03223307 0.00357044
-4.68758179 7.57722652 -23.52173708
0.00012142 -0.00007291 -0.00016950
0.03490764 0.05811997 -0.01627093
2.57793741 2.35109207 -1.32123965
0.00001298 -0.00011383 0.00043176
-0.02650285 0.03677108 -0.00966615
15.52785863 7.54640793 4.67319691
0.00006955 -0.00015757 -0.00003519
-0.01841620 -0.07129431 0.01823248
-9.28701956 -4.79355945 7.46839844
0.00014760 0.00030438 0.00036864
-0.02852683 0.00559206 -0.00423104
-10.42496829 -3.72735583 5.05390351
0.00067008 0.00000223 0.00037559
0.00463604 -0.00186284 -0.01949964
-12.90316717 4.68074726 8.74424589
0.00016983 -0.00001463 -0.00066680
0.00997669 0.02130368 -0.00170792
-13.46462249 1.99473525 8.64245086
-0.00022616 -0.00076020 -0.00030353
-0.00549319 -0.00894241 -0.00056875
-14.96367064 1.55686078 5.05994008
-0.00141810 0.00117737 -0.00015724
-0.01578706 -0.00619563 -0.02912578
-17.12883770 0.07253340 4.01803823
0.00029983 0.00081198 0.00000201
-0.03232291 -0.02541028 0.00961047
2.90505322 -21.27764470 11.64996497
0.00097453 0.00013287 0.00033069
-0.01259486 0.02312178 0.01787476
3.48378092 -20.04138109 14.21649791
0.00019073 0.00060205 0.00010599
0.03850331 -0.00304357 0.04828167
8.53748069 18.92878866 1.07012243
-0.00023488 0.00035922 0.00083007
0.00739522 -0.01795896 -0.01025669
8.45319945 21.53787057 1.92934674
-0.00037512 -0.00057786 0.00015995
0.01932300 0.00295574 -0.01010695
-10.80073334 12.01200587 16.39948055
-0.00105331 -0.00087976 -0.00033411
0.00338837 -0.00355788 0.00384716
-12.53752083 14.14398910 15.78926228
-0.00011733 0.00016083 0.00004874
-0.01140779 0.02621331 0.00514995
-5.45572364 0.17832349 -13.28903081
0.00061830 0.00018172 0.00013797
-0.01402839 0.01379946 0.01921009
-6.81355782 0.73898655 -10.47442871
-0.00001092 -0.00019281 -0.00064795
0.01773169 0.00864262 -0.04132629
-6.80078616 6.41534186 -4.94081155
-0.00034473 0.00022113 -0.00054025
0.00748068 -0.00880553 0.00731781
-9.12920123 7.83495447 -5.45956849
-0.00006720 0.00044992 0.00021607
-0.02110017 0.00260434 0.00172926
-8.53622341 -3.43363778 19.02300699
0.00063960 0.00030308 0.00019078
-0.01950991 0.03251067 0.02702799
-7.74970410 -6.01559632 18.54485338
-0.00027377 0.00040704 -0.00026058
-0.00315510 -0.03001417 0.00777441
-23.18765223 -3.29446812 -23.33453899
-0.00008750 0.00017581 -0.00015305
-0.00897753 -0.02395886 -0.00358402
-23.13079592 -4.53571824 -20.82656828
0.00056267 -0.00094512 -0.00047592
-0.00613210 -0.00859193 0.00085990
6.62955399 13.30286116 4.32050075
-0.00027257 0.00026304 -0.00032929
0.01164781 -0.00138237 -0.00908387
8.09395374 11.70601359 6.45515923
-0.00042812 0.00078088 0.00039576
0.00100066 0.00184077 -0.00655292
24.68374313 28.70247935 -2.15790626
0.00061649 0.00040380 -0.00064034
-0.00065828 0.01853186 -0.00512490
23.94512001 31.53667445 -1.71503120
0.00055590 0.00016057 -0.00018992
-0.01422130 0.02022502 0.02450655
9.44277928 -2.27862364 -14.71927232
0.00000169 0.00020152 -0.00128792
0.00142274 -0.00620054 0.00545289
7.78485890 -0.93134589 -12.63176602
0.00074131 -0.00111317 0.00077708
-0.00056939 -0.01385370 -0.02447597
-7.35581947 -0.10539939 16.01905623
-0.00014762 0.00020780 -0.00083754
-0.01158922 -0.00881312 0.00659719
-8.38204911 -2.19661021 13.99059427
-0.00023283 0.00067292 -0.00054311
-0.03726992 -0.03624988 0.00942061
-2.60591099 -26.67355574 13.01434279
-0.00063948 0.00008599 0.00007113
0.00405550 -0.00027816 -0.01569105
-3.10925929 -25.90543683 10.05321110
-0.00011473 0.00004596 0.00056987
-0.01917320 0.00143416 -0.01282729
-14.22850617 -2.89479554 -6.32372110
-0.00129064 -0.00011203 0.00024580
0.00052958 0.00333552 0.00079974
-14.96254706 -4.52202166 -8.69490896
0.00031709 -0.00024069 -0.00000775
0.00533299 -0.00190890 0.00136987
-19.21625091 -11.36307301 -16.79864609
-0.00098816 0.00081549 -0.00021802
0.04232985 0.03553562 0.03191619
-18.80312681 -13.82632450 -18.37751709
0.00088132 0.00018834 -0.00024305
0.01001401 0.01152084 0.00954122
23.51528538 3.16924477 1.35663542
0.00117884 -0.00056060 0.00048554
0.00241166 0.02571652 0.01317287
22.89446495 5.20089269 3.91743400
-0.00050007 -0.00016964 0.00056213
0.00914908 0.00405722 -0.01190046
16.35217649 -9.86735625 -13.37578592
-0.00045723 -0.00064379 -0.00016418
-0.04757465 0.01246182 0.03775973
17.23040439 -9.76091623 -16.03926408
-0.00120536 -0.00069187 -0.00045229
0.00149940 0.00391637 -0.01199656
-0.58305461 2.38441335 -8.01488999
-0.00027956 -0.00084183 -0.00015173
0.00322679 0.00244983 0.00656100
-2.32440787 0.24497922 -7.80972458
0.00073585 -0.00086346 0.00128418
-0.01290190 -0.01541683 -0.00416497
-5.64070351 -3.27647485 -16.58408089
-0.00010054 -0.00096119 -0.00050055
-0.02314233 -0.00898689 -0.01461155
-3.27150269 -1.81685416 -16.67534592
-0.00086393 0.00047909 0.00020612
-0.00146455 -0.00141353 0.00178993
12.89652756 18.78517813 -20.93138848
0.00010555 0.00040567 0.00101033
-0.01642555 0.01125218 -0.00933082
11.88328851 16.08595015 -20.16037303
0.00002716 -0.00048671 0.00055830
0.00992669 0.01881786 -0.00823954
-15.32311309 15.51327248 -13.59045873
-0.00059617 0.00081658 0.00064519
-0.00688178 0.00742943 0.01674089
-17.82585700 15.14660784 -12.45922065
0.00049187 0.00028826 0.00090032
-0.02533311 -0.02023787 -0.00030563
2.75021906 15.12887519 6.24030214
0.00039329 -0.00065779 -0.00095524
-0.01183991 -0.00653540 0.00282810
0.63022375 15.79917952 8.27186109
0.00052406 -0.00087493 0.00004668
0.01207434 -0.02297168 -0.01440045
-6.20063323 -8.41467058 1.22247853
0.00024253 0.00103701 -0.00092618
-0.01764345 0.02961404 -0.01606980
-3.47683820 -9.34885972 1.66134881
-0.00035065 -0.00066835 -0.00001042
-0.00675223 -0.00373744 0.00054949
2.46986586 -4.78714769 2.78633462
-0.00112198 0.00068313 0.00052376
-0.02170983 0.07270781 0.01459347
4.48470006 -6.20311553 1.33177163
0.00009489 -0.00119414 -0.00007760
-0.00299893 -0.00496922 0.00736958
9.31256953 5.72402176 4.33202034
-0.00021463 -0.00029061 -0.00013867
-0.03227494 0.02109143 -0.01199568
12.17485944 6.17412693 4.73702312
-0.00033727 0.00040163 0.00008774
-0.00366779 -0.00701506 -0.00190626
-7.54707794 -11.14029948 -2.18618101
0.00154668 -0.00041774 -0.00075543
0.00834928 -0.01049455 -0.00248753
-9.75358230 -9.49148926 -1.37279612
-0.00003871 0.00092253 -0.00032876
-0.01119506 0.00457012 0.00584794
4.58771863 -16.63611290 -14.26129756
-0.00049388 0.00039767 0.00000828
-0.02065749 0.00323970 0.03668477
3.03636597 -16.66715049 -11.50480441
0.00189190 -0.00024915 -0.00128242
0.01465543 -0.00928484 -0.01695754
5.84349372 -6.94528111 -6.11241079
0.00015233 0.00084362 0.00039266
-0.00119044 -0.00197984 0.00800843
4.90974360 -8.53398801 -3.80524029
0.00037388 0.00131559 -0.00048463
0.00268626 0.00264342 -0.00940834
16.83304672 1.41491132 24.49181006
-0.00022592 -0.00057946 0.00047880
0.00105085 0.01284364 0.00105537
19.72446770 2.27007601 25.09260725
0.00099096 0.00000204 -0.00116702
-0.00798669 0.00160452 -0.00402391
-9.74085775 3.16720483 2.27266333
-0.00074190 0.00102821 0.00074202
0.01605451 0.01304094 -0.01113837
-7.71945928 4.84469676 0.80221357
0.00054430 -0.00034187 -0.00014536
0.00327752 0.00850553 0.00694008
-6.50515474 14.56589650 -9.32422165
0.00102001 -0.00064293 0.00108264
-0.00644868 -0.00070811 -0.00540776
-9.25641687 13.85270312 -9.57980174
0.00006455 -0.00020891 0.00038397
-0.03976119 -0.01253762 0.02553930
0.08125281 10.91021631 -8.29226728
0.00013661 -0.00026181 0.00019109
0.00100613 0.00536704 0.01638303
2.52930557 12.65025768 -7.94746370
0.00093830 0.00049585 0.00057476
-0.00236591 -0.00178142 0.01273937
-10.41347751 8.91197274 -13.67404991
0.00010849 0.00054551 -0.00024923
0.02668416 -0.01485034 -0.00618597
-12.51580815 9.85204662 -12.24553627
-0.00033967 0.00028124 0.00032620
-0.03421623 -0.00033193 0.05166333
7.14955573 5.98829928 15.23933499
0.00021311 0.00034851 0.00089624
0.00342345 0.04082929 -0.00931971
7.22314301 4.08736688 12.85492530
-0.00044924 -0.00049562 0.00014536
0.00577081 0.01439771 0.00881302
-14.02681366 10.81324779 -8.29389495
0.00083490 0.00065903 -0.00023344
0.00386750 -0.01440361 -0.00444988
-16.31584441 9.80142525 -9.66771402
0.00034086 0.00071868 -0.00074801
-0.02996325 0.00224979 -0.00910163
8.69857316 9.82262130 -2.04026953
-0.00043767 0.00049775 0.00001893
-0.00528299 -0.00288993 -0.00883225
6.89953116 8.61305193 -4.13738467
0.00153836 -0.00091988 -0.00117288
0.04489956 0.00002039 0.03373489
12.16713343 -20.41847662 -26.67513456
0.00032266 0.00042810 0.00028385
-0.02132847 0.00251844 -0.00367843
13.42823039 -19.70806791 -24.06456613
0.00065759 -0.00015897 0.00049386
-0.00141726 -0.00420616 0.00803685
5.67507213 4.89519926 2.73163862
0.00030210 0.00049868 0.00032935
-0.01980983 -0.06252982 -0.00406973
6.29996100 7.08246429 0.89606646
0.00003196 0.00129350 -0.00011725
0.00497451 -0.00970995 0.01391308
20.48493186 -6.54811634 -5.64205081
-0.00013065 0.00037989 -0.00047900
0.02918485 -0.01834234 0.02340955
17.87232821 -5.17296770 -5.31948416
-0.00003614 -0.00063041 -0.00046323
0.01976986 -0.00478806 -0.01729300
-3.09009661 0.11908428 -1.21156498
0.00042493 0.00045234 0.00008059
0.03180814 0.00676752 -0.02693510
-2.22643542 1.02944454 -4.07315206
-0.00128963 0.00031365 0.00017197
-0.00009211 -0.00973398 0.00527748
3.55420727 -3.40291886 -12.09151187
0.00055059 -0.00040752 -0.00001619
-0.01444183 0.02721246 -0.00589914
0.83908484 -2.33697559 -11.50546877
-0.00106187 -0.00002040 0.00024017
-0.03433815 -0.01691396 0.01377322
20.08403333 8.28721753 -6.57863394
-0.00157492 0.00032396 0.00023103
-0.02232197 -0.02756022 -0.04223429
22.04156764 8.58272588 -4.67113458
-0.00124300 0.00009195 -0.00059165
0.00792333 0.00878348 0.00650327
-7.58492660 4.70327447 8.91268891
0.00012910 -0.00001386 -0.00014171
0.00489004 -0.00440995 0.00184740
-7.36972162 6.26841163 11.25471612
-0.00052494 -0.00010930 -0.00112193
-0.00305566 0.00349337 -0.00200272
-2.99552045 -16.39557920 11.72901878
0.00016157 0.00022526 -0.00087872
-0.00936718 0.00406002 -0.00168074
-4.15108650 -13.62319664 11.78451231
0.00059705 0.00044614 -0.00022485
-0.02189176 -0.00200574 0.00206292
8.24009335 0.32586135 -3.21426463
0.00045717 0.00081820 -0.00067473
0.00310814 -0.00165240 0.03959146
7.69283585 2.15183379 -5.53215883
0.00055229 -0.00095220 0.00033046
0.00303991 -0.01108591 -0.00298490
1.23447291 -10.65151744 1.69009220
0.00012271 -0.00008263 -0.00085597
-0.00886221 0.00699034 0.00451089
0.23783406 -8.29942957 0.09952761
-0.00047159 0.00031343 0.00066639
0.00481489 -0.00228018 0.00231297
-19.91862141 -1.37453953 6.66762667
-0.00044473 0.00037312 0.00044616
-0.00615420 -0.00202101 -0.01939764
-20.98256179 0.23343737 4.26601531
-0.00042862 -0.00028099 0.00047743
0.01810777 -0.03029817 0.01519959
-3.62696448 8.37864979 -25.01069979
-0.00010948 0.00129653 -0.00004356
-0.02543209 -0.02882065 0.02318278
-4.39647027 9.09196111 -22.42645502
0.00015098 0.00028938 -0.00107747
-0.00946102 -0.02806364 -0.00162589
3.65816495 1.00458473 -0.94317842
0.00011908 0.00036944 0.00008185
0.01346632 -0.02525309 0.00012649
0.98358027 1.78123006 -2.17540877
0.00076704 -0.00170109 0.00045454
0.01341782 -0.01290424 0.01339108
16.13224289 7.48834468 6.39409865
-0.00091166 -0.00031919 -0.00045412
-0.00107951 0.00788117 0.00101731
15.79351464 9.08001181 3.96682287
-0.00014784 -0.00068943 -0.00022160
0.01526662 0.06648540 -0.02560155
-0.35343687 -11.81637115 -13.34589485
0.00000727 0.00000441 0.00024561
0.00855622 -0.00182510 -0.00079051
-13.93435293 14.52422849 22.13953366
-0.00001456 -0.00010536 0.00014639
-0.00014493 -0.00351025 0.00118986
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02621568
0.32278715
430.09769332
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4690401015 (a.u.)
total exchange computation time: 2.6753261089 s
-154.4232628096
-931.35045576
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.4673452133 (a.u.)
total exchange computation time: 2.6725680828 s
-154.4373484992
Anderson extrapolation: theta=1.3420364902 (1.3420364902)
-931.35077026
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4649463648 (a.u.)
total exchange computation time: 2.6741511822 s
-154.4569666998
Anderson extrapolation: theta=0.0516593933 (0.0516593933)
-931.35095686
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.4647291235 (a.u.)
total exchange computation time: 2.6770839691 s
-154.4586138929
Anderson extrapolation: theta=1.9576411670 (1.9576411670)
-931.35096408
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4642841200 (a.u.)
total exchange computation time: 2.6739261150 s
-154.4619763332
Anderson extrapolation: theta=0.2310997770 (0.2310997770)
-931.35097208
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.331 s
total exchange = -52.4641823012 (a.u.)
total exchange computation time: 2.6744000912 s
-154.4627393399
Anderson extrapolation: theta=1.8864403227 (1.8864403227)
-931.35097377
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4640232510 (a.u.)
total exchange computation time: 2.6766479015 s
-154.4639198386
Anderson extrapolation: theta=0.2847543666 (0.2847543666)
-931.35097600
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4640113582 (a.u.)
total exchange computation time: 2.6755580902 s
-154.4639950467
Anderson extrapolation: theta=1.2889007117 (1.2889007117)
-931.35097657
-208.413600 50.565877 -160.633989
-133.804863 460.021984 -799.334629
-342.218463 510.587861 -959.968618
1139.891744
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4640217553 (a.u.)
total exchange computation time: 2.6737079620 s
680.53307655
-1087.08244924
89.54857830
-386.81446478
-175.07169614
80.07357050
551.60419304
0.00000000
-931.35097708
-10.92179538 -4.23253826 6.71550543
-0.00017149 -0.00003361 -0.00007240
0.03902278 -0.01968633 0.02493492
-14.10414062 3.53295749 9.40385596
0.00025604 0.00023849 -0.00018512
-0.00143157 -0.00823932 0.00013910
-15.98569239 1.32257633 3.46658477
0.00008960 0.00011291 -0.00003896
0.04874258 0.03451148 0.01194607
2.48632807 -19.81123034 12.82849446
0.00020439 -0.00007955 -0.00007246
-0.02685393 -0.01684147 -0.06413505
9.63281624 20.38385550 0.98876937
0.00011391 -0.00006761 0.00038376
-0.03131917 0.02207403 0.01449615
-11.96106371 12.59669290 15.11609518
-0.00034171 -0.00019454 0.00019627
0.01720628 -0.00463060 -0.00826573
-6.29096608 1.49802990 -12.25523341
0.00018438 -0.00017132 -0.00032186
-0.00472248 -0.02353376 0.02318721
-7.39930992 7.80627227 -5.91469708
0.00003120 -0.00010701 -0.00008220
0.00511133 0.00708265 -0.02015535
-7.68591011 -4.37934213 17.82715787
-0.00015975 0.00017639 -0.00012622
0.02257154 -0.01455364 -0.02838946
-23.48545265 -5.00312136 -22.56339514
-0.00016289 -0.00036177 -0.00013953
0.00735457 0.03717570 -0.00669045
6.64363048 12.77151386 6.05248457
0.00005191 -0.00011179 0.00003158
-0.01317257 0.00543428 0.00887553
24.69363483 30.42205933 -2.88383559
0.00011061 0.00014764 -0.00010656
0.01774466 -0.03866482 -0.01665037
7.92108051 -1.22776949 -14.47790828
-0.00000765 0.00030016 -0.00036695
-0.01163218 0.02516173 0.03596571
-7.26704126 -0.94293095 14.40173599
-0.00030715 -0.00003754 0.00016347
0.05497474 0.05250704 -0.03138459
-1.88386562 -26.23517433 11.31300688
0.00036619 0.00003343 -0.00010376
0.01731552 -0.00063110 0.02395449
-14.15357144 -4.58750023 -7.03844438
0.00029139 0.00025761 0.00013036
-0.00649244 -0.00135117 -0.00901325
-19.98799670 -12.54027189 -17.79882660
-0.00002329 -0.00018541 0.00025422
-0.04057420 -0.04789457 -0.04229411
22.71734049 3.63014574 3.02837763
0.00019509 -0.00004957 -0.00015369
-0.01088137 -0.02709794 0.00338505
17.76226969 -10.13715134 -14.34778168
0.00000466 -0.00034127 0.00003086
0.04107525 -0.01016853 -0.02972175
-2.10854386 1.87904993 -7.08761047
0.00030858 -0.00009589 0.00025408
0.00223254 0.01075982 -0.00893055
-4.16942907 -3.04410975 -15.62174384
-0.00017022 -0.00000199 0.00003981
0.01917885 0.01332864 0.00755321
13.35666598 17.24693764 -20.13808861
-0.00008178 0.00017386 0.00029226
0.01188456 -0.03620929 0.01607821
-16.32606186 16.05691257 -12.09518826
0.00058267 -0.00003697 -0.00024634
0.02675256 0.01745322 0.00109069
1.65682796 14.39151105 7.53757981
0.00056021 0.00062581 0.00000173
-0.00790093 0.02023935 0.00898828
-5.26690931 -9.60715588 2.12621488
-0.00015158 -0.00025147 0.00035528
0.02233636 -0.02111829 0.01392405
3.08167794 -6.36731357 2.53345927
0.00008883 -0.00036698 0.00013583
0.02889817 -0.04924690 -0.01091668
10.85182321 4.88049397 4.51353801
0.00005706 0.00012713 -0.00030483
0.03895400 -0.01225068 0.01744367
-8.52978542 -9.70340606 -2.69274928
-0.00006347 0.00019719 -0.00030972
0.00462327 0.00042518 -0.00529356
3.15935962 -15.99335723 -13.21586383
0.00003518 0.00001209 0.00019872
-0.00060160 0.01286806 -0.02676505
4.84960960 -8.44108842 -5.63559458
-0.00017575 -0.00006874 0.00042555
-0.00160299 0.00944226 -0.00362382
18.55796493 0.87106325 24.76150395
-0.00006778 0.00040469 -0.00021829
0.00552431 -0.01829043 0.00367914
-8.27575032 3.13945763 1.08443385
-0.00048338 -0.00006939 0.00016965
-0.01419465 -0.01582778 0.00759158
-7.83217333 14.21136298 -10.54103747
0.00027696 0.00002245 0.00016830
0.04982954 0.01307159 -0.01438428
1.69318347 11.38119518 -8.96422775
-0.00000915 -0.00001426 0.00001028
0.00742701 0.00057026 -0.02681482
-11.80307803 10.01451740 -13.83229750
0.00030995 0.00020142 -0.00018253
0.00119146 0.01420792 -0.03825839
7.15978385 4.32797017 14.69249369
-0.00044484 0.00035559 -0.00011144
-0.00470286 -0.04853065 -0.00209777
-14.66463261 9.30837544 -9.24549234
-0.00031187 -0.00044437 0.00042944
0.02146953 0.00869776 0.01173228
8.52603025 8.31778419 -3.10015153
-0.00017275 -0.00020381 -0.00011798
-0.03591755 0.00948300 -0.01471900
13.69669726 -20.40323995 -25.75530946
0.00011017 -0.00013466 -0.00024352
0.02420302 -0.00286117 -0.00657764
6.32514998 6.49964022 2.65424390
-0.00015774 0.00013809 -0.00024985
0.01218462 0.07546181 -0.01330144
19.19545446 -5.77497344 -6.54545334
-0.00026815 0.00001735 -0.00023713
-0.05410692 0.02292401 -0.00112797
-1.70480326 0.05141217 -2.55520356
0.00015514 -0.00019728 -0.00029477
-0.02975066 0.00510900 0.02300201
2.36718010 -1.89562738 -12.30390046
-0.00006969 0.00015730 0.00035844
0.05653699 -0.01524151 -0.00810644
20.46309038 9.35841611 -5.25819293
-0.00041495 -0.00000765 -0.00002009
0.00338628 0.02125334 0.02877605
-7.47367960 6.46432588 9.44149312
-0.00005878 -0.00008398 0.00021078
-0.01221176 -0.00096034 -0.00263865
-2.68162911 -14.60875024 11.54135832
0.00008437 -0.00001095 -0.00023731
0.03538644 -0.00021885 0.00297462
8.13465448 0.39975017 -4.96295756
-0.00006132 -0.00014744 0.00003170
-0.00186531 -0.00517498 -0.03889180
-0.04182531 -10.07839446 0.47607377
-0.00011171 -0.00030009 -0.00017093
-0.00538572 -0.00551174 -0.01119424
-20.10424953 -1.41013341 4.76459874
-0.00020449 0.00033337 -0.00005031
-0.01534050 0.02974625 0.00703156
-4.68562577 7.57635712 -23.52434233
0.00013941 -0.00004285 -0.00017835
0.03502677 0.05877240 -0.01815209
2.57802982 2.34952653 -1.31480049
-0.00000087 -0.00009480 0.00042671
-0.02733630 0.03723061 -0.00999226
15.52883087 7.54376938 4.67273934
0.00005943 -0.00019496 -0.00002679
-0.02095895 -0.07409230 0.01445990
-9.28567975 -4.78882232 7.47379834
0.00002752 0.00032803 0.00035061
-0.03024995 0.00598161 -0.00459308
-10.41477502 -3.72737945 5.05893979
0.00068902 -0.00000465 0.00029318
0.00463603 -0.00150378 -0.02084043
-12.90031394 4.68118065 8.73419150
0.00021088 0.00007139 -0.00067395
0.01011459 0.02080468 -0.00179064
-13.46818319 1.98305821 8.63788054
-0.00025190 -0.00078749 -0.00030201
-0.00710644 -0.00441446 0.00131110
-14.98542584 1.57433149 5.05668903
-0.00147581 0.00115311 -0.00026883
-0.01246218 -0.00568041 -0.02550091
-17.12533077 0.08393452 4.01836289
0.00016091 0.00070126 0.00004357
-0.03567532 -0.02878990 0.01073220
2.91928525 -21.27494307 11.65547304
0.00092273 0.00022501 0.00040193
-0.01276225 0.02197947 0.01699930
3.48782170 -20.03244367 14.21956727
0.00034589 0.00059102 0.00030060
0.03744874 -0.00235469 0.04697886
8.53418403 18.93362659 1.08225916
-0.00020444 0.00028313 0.00078732
0.00750678 -0.01928381 -0.01066941
8.44816479 21.52929317 1.93143627
-0.00029561 -0.00056248 0.00011977
0.01959918 0.00457772 -0.00955948
-10.81642914 11.99870037 16.39458686
-0.00103393 -0.00089650 -0.00031165
0.00609737 -0.00463540 0.00714278
-12.53963039 14.14720487 15.79015126
-0.00016188 0.00026397 0.00006880
-0.01039786 0.02427067 0.00466831
-5.44687899 0.18147209 -13.28637258
0.00056271 0.00023482 0.00021344
-0.01318483 0.01219470 0.01773052
-6.81317829 0.73635920 -10.48541440
0.00006141 -0.00015748 -0.00081479
0.01767497 0.00865032 -0.04033830
-6.80572786 6.41838895 -4.94869105
-0.00031067 0.00017681 -0.00050468
0.00918996 -0.01289022 0.01009208
-9.13085588 7.84178304 -5.45627442
-0.00014928 0.00046045 0.00022229
-0.01907773 0.00255231 0.00131528
-8.52722722 -3.42809536 19.02669688
0.00056028 0.00043639 0.00030161
-0.01931912 0.03274437 0.02722496
-7.75390739 -6.01041047 18.54118298
-0.00028697 0.00028108 -0.00022746
-0.00330523 -0.03164495 0.00843725
-23.18923980 -3.29256518 -23.33694455
-0.00012526 0.00007297 -0.00016522
-0.00950610 -0.02637897 -0.00237529
-23.12254378 -4.55015827 -20.83368074
0.00053831 -0.00097856 -0.00046770
-0.00579164 -0.00778081 0.00316343
6.62582241 13.30676435 4.31528309
-0.00022397 0.00025446 -0.00035862
0.01214106 -0.00281790 -0.00527665
8.08756256 11.71778315 6.46089490
-0.00041457 0.00078164 0.00037004
0.00563184 -0.00146872 -0.00603845
24.69297025 28.70910421 -2.16766846
0.00061305 0.00047412 -0.00065811
-0.00102187 0.01589171 -0.00357309
23.95302280 31.53970276 -1.71712902
0.00049660 0.00024410 -0.00008796
-0.01481014 0.02066439 0.02540077
9.44284825 -2.27579086 -14.73842402
0.00000585 0.00017742 -0.00126505
0.00061427 -0.00559621 0.00574120
7.79596107 -0.94846795 -12.62085983
0.00073931 -0.00117042 0.00066641
-0.00040931 -0.01417194 -0.02969584
-7.35838893 -0.10255243 16.00669525
-0.00019662 0.00017675 -0.00079973
-0.01239804 -0.00638822 0.01191186
-8.38668369 -2.18762721 13.98273627
-0.00039004 0.00052061 -0.00050583
-0.03968402 -0.03830560 0.00883001
-2.61537891 -26.67227440 13.01492887
-0.00061859 0.00008598 0.00000308
0.00616929 0.00027077 -0.01761871
-3.11156778 -25.90470354 10.06136603
-0.00019338 0.00005244 0.00051481
-0.01932651 0.00174025 -0.01412206
-14.24784950 -2.89637384 -6.32000954
-0.00128780 -0.00009538 0.00025037
0.00086081 0.00481848 0.00143436
-14.95762737 -4.52569045 -8.69498320
0.00033938 -0.00024844 -0.00000112
0.00558144 -0.00188416 0.00187482
-19.22977615 -11.34975173 -16.80093841
-0.00081623 0.00095956 -0.00008942
0.04182727 0.03498892 0.03103413
-18.78960021 -13.82314629 -18.38087045
0.00091824 0.00024042 -0.00020125
0.00806043 0.01396831 0.01091722
23.53304194 3.16162382 1.36432218
0.00118859 -0.00045468 0.00053779
0.00235768 0.02613185 0.01240195
22.88724420 5.19847246 3.92550128
-0.00046224 -0.00015524 0.00051178
0.00936960 0.00298904 -0.01274749
16.34386020 -9.87663120 -13.37709157
-0.00064565 -0.00059438 -0.00001288
-0.04465933 0.01172578 0.03630468
17.21236993 -9.77117431 -16.04641598
-0.00119444 -0.00067843 -0.00049081
0.00384724 0.00266179 -0.00686302
-0.58714911 2.37186098 -8.01696494
-0.00026060 -0.00082852 -0.00012778
0.00605595 0.00406419 0.00516317
-2.31376541 0.23155494 -7.79058945
0.00068326 -0.00092232 0.00126943
-0.01284331 -0.01339618 -0.00305689
-5.64292076 -3.29116806 -16.59203690
-0.00018840 -0.00099734 -0.00055618
-0.01986479 -0.00871077 -0.01261890
-3.28450655 -1.80971111 -16.67219930
-0.00086874 0.00047443 0.00021228
-0.00088669 -0.00086608 0.00122864
12.89760748 18.79160804 -20.91651948
0.00003667 0.00045307 0.00097083
-0.01729322 0.01194669 -0.01000172
11.88400015 16.07922615 -20.15225100
0.00007003 -0.00040616 0.00052414
0.01105898 0.02060917 -0.00848347
-15.33226646 15.52574890 -13.58026785
-0.00061316 0.00084112 0.00069743
-0.00143737 0.00458176 0.00882889
-17.81925529 15.15031152 -12.44572514
0.00038482 0.00020317 0.00089775
-0.02706638 -0.02140960 -0.00095523
2.75575558 15.11880813 6.22606018
0.00034352 -0.00068209 -0.00094200
-0.01252224 -0.00536115 0.00365387
0.63845467 15.78535168 8.27212007
0.00056776 -0.00095687 -0.00000916
0.00931512 -0.01713835 -0.01293515
-6.19753593 -8.39820801 1.20809340
0.00018365 0.00113987 -0.00097800
-0.01117844 0.02073973 -0.00929578
-3.48230492 -9.35899950 1.66120936
-0.00037524 -0.00068392 -0.00000767
-0.00528396 -0.00388433 0.00079749
2.45237097 -4.77467272 2.79463827
-0.00119570 0.00094723 0.00057678
-0.01437943 0.05656844 0.01135841
4.48603152 -6.22117992 1.33083346
0.00008147 -0.00121155 -0.00004688
-0.00357081 -0.00355161 0.00766735
9.30836103 5.72030897 4.32957277
-0.00034510 -0.00020517 -0.00018752
-0.03158814 0.02072901 -0.01191976
12.16968806 6.17993647 4.73828086
-0.00035167 0.00037337 0.00007974
-0.00338165 -0.00681926 -0.00201042
-7.52362196 -11.14688712 -2.19758864
0.00156699 -0.00044417 -0.00076874
0.00159573 -0.00244525 -0.00403033
-9.75450608 -9.47751130 -1.37754829
-0.00008195 0.00093838 -0.00030472
-0.00996762 0.00319054 0.00591944
4.57967742 -16.63004857 -14.26004925
-0.00057350 0.00040981 0.00015311
-0.01831781 0.00270287 0.03421311
3.06519350 -16.67117219 -11.52456039
0.00194834 -0.00029341 -0.00133130
0.01297315 -0.01238467 -0.00696996
5.84574223 -6.93268747 -6.10627551
0.00014110 0.00082571 0.00042588
-0.00430802 -0.00678764 0.00825547
4.91543404 -8.51417316 -3.81279811
0.00038374 0.00132327 -0.00050715
0.00214150 0.00111773 -0.00161421
16.82969010 1.40661301 24.49902434
-0.00022380 -0.00052402 0.00048257
-0.00001428 0.01429400 0.00079156
19.73908741 2.27015573 25.07497864
0.00095544 0.00000841 -0.00118326
-0.00939962 0.00151738 -0.00392713
-9.75149427 3.18302765 2.28345229
-0.00067231 0.00108111 0.00069285
0.01801066 0.01285318 -0.01292901
-7.71119435 4.83982929 0.80024590
0.00055706 -0.00030879 -0.00011658
0.00296968 0.00768942 0.00714587
-6.49005215 14.55623084 -9.30814781
0.00098293 -0.00064838 0.00105084
-0.01170345 -0.00196118 -0.01015800
-9.25666710 13.84918533 -9.57325959
-0.00009079 -0.00025839 0.00048387
-0.03627471 -0.01168560 0.02336369
0.08333277 10.90645363 -8.28889893
0.00014103 -0.00023954 0.00025846
0.00115914 0.00553165 0.01659769
2.54330762 12.65764077 -7.93845188
0.00092053 0.00047690 0.00061860
-0.00633195 -0.00749049 0.00871935
-10.41103240 8.91970037 -13.67797786
0.00022134 0.00048132 -0.00027282
0.02855302 -0.01657104 -0.00536322
-12.52195163 9.85625505 -12.23906012
-0.00047171 0.00028020 0.00052179
-0.03041893 -0.00017931 0.04407902
7.15285732 5.99477810 15.25249295
0.00022731 0.00050782 0.00085338
0.00352872 0.03715330 -0.01165915
7.21658129 4.08037383 12.85737573
-0.00042527 -0.00043393 0.00017924
0.00596081 0.01579995 0.00777390
-14.01417164 10.82269185 -8.29753285
0.00084664 0.00059204 -0.00025566
0.00187719 -0.01838839 -0.00642817
-16.31164971 9.81227440 -9.67921307
0.00021935 0.00072773 -0.00078487
-0.02951481 0.00218009 -0.00894272
8.69184620 9.82999894 -2.04025626
-0.00046058 0.00047874 -0.00002278
-0.00593210 -0.00641135 -0.01158346
6.92398245 8.59925440 -4.15394408
0.00171184 -0.00091655 -0.00103896
0.04001885 0.00160712 0.03181663
12.17131977 -20.41197798 -26.67098957
0.00022928 0.00043853 0.00026509
-0.02437984 0.00258595 -0.00550279
13.43805082 -19.71058142 -24.05691203
0.00065227 -0.00017890 0.00051990
-0.00118897 -0.00554577 0.00471018
5.67899661 4.90076338 2.73645410
0.00021788 0.00023642 0.00031084
-0.02141724 -0.06584810 -0.00498683
6.30059290 7.10156931 0.89473410
0.00005142 0.00125024 -0.00005775
0.00454711 -0.01147013 0.01521294
20.48386644 -6.54298010 -5.64851845
-0.00000931 0.00030402 -0.00038254
0.03020937 -0.01879635 0.02380642
17.87239196 -5.18257064 -5.32696257
0.00003997 -0.00064740 -0.00052971
0.01748477 -0.00352424 -0.01524562
-3.08274791 0.12607683 -1.21118150
0.00055514 0.00047843 -0.00002821
0.03193118 0.00600275 -0.02632154
-2.24578273 1.03385093 -4.07041080
-0.00128589 0.00027219 0.00019576
0.00192264 -0.01055752 0.00636614
3.56202354 -3.40819780 -12.09193548
0.00048547 -0.00029051 -0.00004058
-0.01743604 0.03006745 -0.00604147
0.82210464 -2.33779983 -11.50144423
-0.00118822 -0.00008692 0.00028969
-0.02751536 -0.01564993 0.01047097
20.05972558 8.29123241 -6.57646275
-0.00166641 0.00021106 0.00005866
-0.02246647 -0.02770738 -0.04214016
22.02316539 8.58437430 -4.67981005
-0.00119997 0.00012217 -0.00056143
0.01314054 0.00600839 0.00829134
-7.58284027 4.70293138 8.91061980
0.00014902 -0.00003109 -0.00013429
0.00486231 -0.00402313 0.00178434
-7.37768929 6.26687915 11.23782586
-0.00053591 -0.00009679 -0.00110839
-0.00231609 0.00263002 0.00863092
-2.99338394 -16.39207588 11.71578650
0.00012178 0.00023742 -0.00088490
-0.01010905 0.00189386 -0.00134427
-4.14280159 -13.61656602 11.78120276
0.00050508 0.00043844 -0.00021631
-0.02312988 -0.00176152 0.00211950
8.24704612 0.33808366 -3.22317243
0.00047136 0.00081037 -0.00049969
0.00384065 -0.00217880 0.04609253
7.70121333 2.13721113 -5.52729337
0.00056160 -0.00098718 0.00031403
0.00151967 -0.00603927 -0.00505639
1.23604205 -10.65254266 1.67739081
0.00008938 -0.00005614 -0.00083393
-0.00745286 0.00597576 0.00628024
0.23090780 -8.29479799 0.10959432
-0.00045284 0.00029880 0.00067593
0.00435985 -0.00488312 0.00235673
-19.92548096 -1.36900470 6.67372470
-0.00046964 0.00036375 0.00036312
-0.00603807 -0.00256597 -0.02125127
-20.98843620 0.22829409 4.27364258
-0.00035732 -0.00039946 0.00053676
0.01679362 -0.02769182 0.01384279
-3.62938603 8.39721460 -25.01064275
-0.00021329 0.00117491 0.00004977
-0.02538052 -0.03071238 0.02250317
-4.39449551 9.09544179 -22.44266695
0.00011203 0.00017689 -0.00107872
-0.00960464 -0.02700014 0.00101689
3.66036386 1.00935246 -0.94194673
0.00017973 0.00026251 0.00008427
0.01621826 -0.02708710 0.00105716
0.99549705 1.75531835 -2.16818034
0.00081814 -0.00175115 0.00050752
0.01159613 -0.01160429 0.01254562
16.11853487 7.48379835 6.38731795
-0.00091176 -0.00028649 -0.00043970
0.00103108 0.00812295 0.00604582
15.79176486 9.07170766 3.96271435
-0.00008438 -0.00041247 -0.00032859
0.01579669 0.06908925 -0.02676960
-0.35330483 -11.81630993 -13.34221287
0.00001036 0.00000376 0.00024530
0.00871037 -0.00180532 -0.00089958
-13.93457158 14.52264199 22.14173156
-0.00001460 -0.00010618 0.00014666
-0.00017563 -0.00360039 0.00112058
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02607540
0.32490168
432.91519526
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4675139874 (a.u.)
total exchange computation time: 2.6745939255 s
-154.4159400352
-931.35404090
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4658240803 (a.u.)
total exchange computation time: 2.6756072044 s
-154.4299140521
Anderson extrapolation: theta=1.3419085049 (1.3419085049)
-931.35434601
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4634139116 (a.u.)
total exchange computation time: 2.6736829281 s
-154.4494592725
Anderson extrapolation: theta=0.0511906579 (0.0511906579)
-931.35452645
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4631813860 (a.u.)
total exchange computation time: 2.6748428345 s
-154.4511588570
Anderson extrapolation: theta=1.9318369118 (1.9318369118)
-931.35453312
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4627015892 (a.u.)
total exchange computation time: 2.6752190590 s
-154.4546273279
Anderson extrapolation: theta=0.2240683969 (0.2240683969)
-931.35454007
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4625858877 (a.u.)
total exchange computation time: 2.6753058434 s
-154.4554326171
Anderson extrapolation: theta=1.8674016042 (1.8674016042)
-931.35454135
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4623971007 (a.u.)
total exchange computation time: 2.6745319366 s
-154.4567087551
Anderson extrapolation: theta=0.2795507910 (0.2795507910)
-931.35454282
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4623734117 (a.u.)
total exchange computation time: 2.6744890213 s
-154.4568293318
Anderson extrapolation: theta=1.2894300051 (1.2894300051)
-931.35454309
-208.413604 50.593056 -160.602364
-133.799116 460.056886 -799.371926
-342.212720 510.649941 -959.974291
1139.922606
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.4623665742 (a.u.)
total exchange computation time: 2.6666450500 s
680.50844924
-1087.01571762
89.54474299
-386.86200072
-175.06765050
80.03651296
551.60419304
0.00000000
-931.35454318
-10.92421724 -4.23311832 6.71451566
-0.00015114 -0.00004382 -0.00005942
0.04011264 -0.02000522 0.02551945
-14.10030552 3.53650306 9.40107976
0.00025571 0.00023330 -0.00018556
0.00014044 -0.01194116 -0.00185766
-15.98416030 1.32440317 3.46604649
0.00011423 0.00013101 -0.00003409
0.04702913 0.03585196 0.00697581
2.48929039 -19.81248852 12.82716014
0.00019125 -0.00008804 -0.00010414
-0.02424950 -0.01620092 -0.05903616
9.63440405 20.38292654 0.99458165
0.00009779 -0.00005642 0.00039113
-0.03137119 0.02143207 0.01416784
-11.96612300 12.59375697 15.11900740
-0.00033385 -0.00019589 0.00019138
0.01336640 -0.00064377 -0.01076396
-6.28821857 1.49536928 -12.25997191
0.00018172 -0.00018281 -0.00030987
-0.00562513 -0.02113095 0.02343504
-7.39882217 7.80469447 -5.91600783
0.00003277 -0.00010239 -0.00009302
0.00099374 0.01086871 -0.02190785
-7.68821930 -4.37675245 17.82515512
-0.00014843 0.00016929 -0.00014054
0.02146325 -0.01306481 -0.02732693
-23.48786758 -5.00840451 -22.56551395
-0.00015915 -0.00034239 -0.00014380
0.00716981 0.03819326 -0.00991162
6.64435826 12.76985791 6.05299249
0.00004378 -0.00010778 0.00003491
-0.01841010 0.01016581 0.00406237
24.69536247 30.42412471 -2.88549827
0.00011975 0.00012870 -0.00011561
0.01777726 -0.03495407 -0.01852378
7.92092094 -1.22317000 -14.48327378
-0.00001338 0.00031294 -0.00034734
-0.01066390 0.02454109 0.04026810
-7.27143641 -0.94329145 14.40406698
-0.00027852 -0.00001121 0.00014593
0.05634127 0.04985804 -0.03680875
-1.87830591 -26.23467531 11.31154284
0.00037447 0.00003297 -0.00009087
0.01485270 -0.00114078 0.02616357
-14.14922566 -4.58364125 -7.03652379
0.00028790 0.00025652 0.00012549
-0.00707655 -0.00289169 -0.00989338
-19.98850256 -12.54323783 -17.79517644
-0.00004322 -0.00020993 0.00023288
-0.03691609 -0.04744216 -0.04071059
22.72022480 3.62929770 3.02608540
0.00018933 -0.00006321 -0.00015154
-0.01149214 -0.02596105 0.00497909
17.76249802 -10.14230961 -14.34743344
0.00002390 -0.00034590 0.00001503
0.03372944 -0.00785650 -0.03184181
-2.10390656 1.87765309 -7.08383377
0.00030893 -0.00009139 0.00024946
-0.00087557 0.00674543 -0.00902968
-4.17190833 -3.04408824 -15.62111760
-0.00016153 0.00000457 0.00004315
0.01460657 0.01220895 0.00545631
13.35548507 17.24940586 -20.13364263
-0.00007567 0.00015490 0.00030064
0.01188886 -0.03751556 0.01647776
-16.31721869 16.05642529 -12.09887909
0.00059504 -0.00002704 -0.00024335
0.02138518 0.02116463 0.01050046
1.66520065 14.40097633 7.53764037
0.00055720 0.00063416 0.00000567
-0.00381404 0.01223071 0.00636002
-5.26909681 -9.61100940 2.13159783
-0.00014218 -0.00025994 0.00036062
0.01420676 -0.01183311 0.00683811
3.08312179 -6.37300827 2.53545457
0.00010174 -0.00038820 0.00013113
0.02132908 -0.03326278 -0.00734706
10.85282936 4.88235368 4.50903288
0.00007640 0.00012106 -0.00029590
0.03627106 -0.01137175 0.01727692
-8.53071962 -9.70044656 -2.69741553
-0.00005982 0.00019579 -0.00031204
0.00958087 -0.00589169 -0.00371860
3.15988495 -15.99312618 -13.21298634
0.00003445 0.00001981 0.00018309
-0.00220421 0.01715436 -0.03399956
4.84696718 -8.44208313 -5.62922532
-0.00017569 -0.00006236 0.00042151
0.00184731 0.01539430 -0.01208336
18.55696955 0.87706310 24.75824383
-0.00006431 0.00039500 -0.00021633
0.00798675 -0.01939569 0.00392542
-8.28305577 3.13835577 1.08700793
-0.00049092 -0.00007717 0.00017374
-0.01510671 -0.01442075 0.00831137
-7.82782678 14.21175020 -10.53856845
0.00030247 0.00002911 0.00016280
0.04938858 0.01281062 -0.00699983
1.69307481 11.38098342 -8.96417699
-0.00000445 -0.00001262 -0.00000252
0.01086043 0.00582019 -0.02296779
-11.79842423 10.01759343 -13.83518298
0.00030910 0.00020888 -0.00019999
-0.00449199 0.01482865 -0.02963316
7.15309307 4.33311674 14.69081406
-0.00044731 0.00033148 -0.00011149
-0.00490077 -0.04519662 0.00189047
-14.66922777 9.30174342 -9.23900542
-0.00030074 -0.00043883 0.00043575
0.02180510 0.01286591 0.01279554
8.52330045 8.31476369 -3.10197795
-0.00018952 -0.00019846 -0.00012416
-0.02931423 0.01131995 -0.00931871
13.69844321 -20.40527087 -25.75898758
0.00012316 -0.00013576 -0.00024555
0.02628069 -0.00143220 -0.00132623
6.32283084 6.50200266 2.65044483
-0.00015131 0.00017734 -0.00025664
0.01282490 0.07715694 -0.01309196
19.19122349 -5.77462473 -6.54901471
-0.00029514 0.00002864 -0.00023821
-0.05085195 0.02097878 -0.00305765
-1.70259087 0.04847269 -2.55953632
0.00013960 -0.00019433 -0.00028333
-0.03068530 0.00635128 0.02147879
2.36635282 -1.89332669 -12.29855518
-0.00004188 0.00014851 0.00035503
0.05160577 -0.01893541 -0.00515788
20.45687922 9.35838338 -5.25838326
-0.00041465 0.00000370 -0.00000624
-0.00221419 0.02289260 0.02507521
-7.47460847 6.46306246 9.44464470
-0.00006520 -0.00008437 0.00020654
-0.01273331 -0.00055646 -0.01384898
-2.68022700 -14.60891538 11.53781013
0.00010283 -0.00001047 -0.00023584
0.03638238 0.00211184 0.00273282
8.13372753 0.39751857 -4.96263214
-0.00006212 -0.00015137 0.00001114
-0.00126390 -0.01008282 -0.04103034
-0.04352172 -10.08291704 0.47346660
-0.00011475 -0.00030199 -0.00017718
-0.00645645 -0.00187911 -0.01311420
-20.10737599 -1.40501817 4.76387128
-0.00021193 0.00034782 -0.00004587
-0.01360217 0.02645423 0.01019829
-4.68339953 7.57594113 -23.52708762
0.00015731 -0.00001269 -0.00018813
0.03458898 0.05848366 -0.01985708
2.57791134 2.34824822 -1.30843843
-0.00001487 -0.00007582 0.00042158
-0.02709773 0.03656407 -0.00996364
15.52964141 7.54055922 4.67239332
0.00004817 -0.00023284 -0.00002078
-0.02280090 -0.07322196 0.00887788
-9.28619384 -4.78371860 7.47891674
-0.00009793 0.00035269 0.00033181
-0.03115836 0.00609116 -0.00461021
-10.40429762 -3.72749523 5.06269884
0.00070757 -0.00001054 0.00020684
0.00444234 -0.00138158 -0.02142212
-12.89684081 4.68288907 8.72402737
0.00025142 0.00015420 -0.00068092
0.00973128 0.01973123 -0.00162171
-13.47217941 1.97111063 8.63339057
-0.00028390 -0.00079644 -0.00029308
-0.00856008 0.00003440 0.00306197
-15.00794480 1.59145408 5.05187512
-0.00151902 0.00113144 -0.00036384
-0.00869345 -0.00492517 -0.02100621
-17.12401025 0.09357122 4.01934529
0.00001075 0.00057942 0.00008854
-0.03783314 -0.03085118 0.01128003
2.93273513 -21.27089440 11.66202293
0.00087074 0.00031131 0.00046872
-0.01268974 0.02026714 0.01569573
3.49415757 -20.02365056 14.22551579
0.00049319 0.00058350 0.00048482
0.03465841 -0.00132542 0.04320202
8.53134743 18.93728268 1.09374200
-0.00017327 0.00020233 0.00074297
0.00775021 -0.02026951 -0.01104061
8.44433129 21.52099632 1.93293994
-0.00021564 -0.00054017 0.00008227
0.01954591 0.00633916 -0.00879703
-10.83175126 11.98511079 16.39013093
-0.00100384 -0.00091748 -0.00027602
0.00863403 -0.00563475 0.01030037
-12.54237720 14.15190809 15.79132633
-0.00020164 0.00035742 0.00008623
-0.00906435 0.02147439 0.00386314
-5.43884238 0.18536806 -13.28262771
0.00051126 0.00028049 0.00028203
-0.01199908 0.01016216 0.01584413
-6.81171552 0.73426200 -10.49887226
0.00013298 -0.00012256 -0.00097621
0.01735951 0.00844808 -0.03868229
-6.81010634 6.42064604 -4.95595205
-0.00027019 0.00011666 -0.00045843
0.01062685 -0.01654945 0.01255028
-9.13367972 7.84876803 -5.45289975
-0.00022165 0.00047059 0.00022649
-0.01634798 0.00240960 0.00074138
-8.51941503 -3.42054616 19.03205528
0.00048385 0.00056800 0.00041024
-0.01809182 0.03167953 0.02595010
-7.75831325 -6.00716402 18.53802967
-0.00030078 0.00015075 -0.00019243
-0.00345201 -0.03214913 0.00871096
-23.19140997 -3.29227892 -23.33949569
-0.00016492 -0.00003839 -0.00017292
-0.00990708 -0.02813500 -0.00139134
-23.11464659 -4.56507516 -20.84059932
0.00051542 -0.00100865 -0.00045017
-0.00541237 -0.00694797 0.00541628
6.62283492 13.31049485 4.30974204
-0.00017341 0.00024003 -0.00037229
0.01260960 -0.00424506 -0.00141272
8.08151653 11.72946269 6.46626049
-0.00038191 0.00076881 0.00034671
0.01035963 -0.00481129 -0.00538068
24.70213475 28.71670301 -2.17764964
0.00060821 0.00053239 -0.00066908
-0.00135083 0.01263318 -0.00179605
23.96001793 31.54399751 -1.71767012
0.00043618 0.00032751 0.00001559
-0.01476515 0.02016547 0.02528801
9.44295487 -2.27330106 -14.75722386
0.00000638 0.00015602 -0.00124101
-0.00035571 -0.00487815 0.00602842
7.80703815 -0.96645856 -12.61177359
0.00073764 -0.00122840 0.00053637
-0.00040837 -0.01420787 -0.03396175
-7.36171821 -0.10009698 15.99506430
-0.00024881 0.00015577 -0.00074038
-0.01314848 -0.00388256 0.01714067
-8.39375036 -2.18099182 13.97541942
-0.00055346 0.00036396 -0.00046977
-0.04031094 -0.03837912 0.00882088
-2.62446873 -26.67097647 13.01443517
-0.00058941 0.00008796 -0.00007184
0.00811516 0.00069890 -0.01905640
-3.11506072 -25.90386360 10.06865547
-0.00027124 0.00005983 0.00045583
-0.01878481 0.00187574 -0.01475127
-14.26714007 -2.89765684 -6.31621006
-0.00128365 -0.00007321 0.00025727
0.00117016 0.00603008 0.00194647
-14.95236561 -4.52947472 -8.69494254
0.00036252 -0.00025606 0.00000727
0.00574581 -0.00184702 0.00223192
-19.24073796 -11.33428611 -16.80132878
-0.00064924 0.00109686 0.00003181
0.03991757 0.03221841 0.02831080
-18.77557961 -13.81911203 -18.38355473
0.00094747 0.00030177 -0.00015418
0.00624592 0.01606691 0.01212732
23.55094299 3.15560438 1.37276900
0.00119818 -0.00034740 0.00058656
0.00233753 0.02638125 0.01147242
22.88059767 5.19623542 3.93278731
-0.00042355 -0.00014529 0.00045800
0.00956999 0.00188306 -0.01357505
16.33280691 -9.88518752 -13.37617223
-0.00081774 -0.00054864 0.00012939
-0.03958070 0.01066361 0.03333412
17.19457125 -9.78126925 -16.05398848
-0.00117390 -0.00066995 -0.00050842
0.00620394 0.00148894 -0.00175387
-0.59087248 2.35955769 -8.01872345
-0.00023018 -0.00080884 -0.00010967
0.00883156 0.00556873 0.00370247
-2.30391008 0.21730965 -7.77164167
0.00063114 -0.00097164 0.00125956
-0.01267139 -0.01074529 -0.00177705
-5.64635545 -3.30639512 -16.60076627
-0.00026120 -0.00103190 -0.00060256
-0.01577084 -0.00820399 -0.01008286
-3.29756476 -1.80262113 -16.66897739
-0.00087122 0.00047213 0.00021605
-0.00032909 -0.00026063 0.00061222
12.89762756 18.79877012 -20.90226346
-0.00003515 0.00050184 0.00092942
-0.01786265 0.01193042 -0.01027194
11.88538955 16.07376521 -20.14464889
0.00011661 -0.00031924 0.00048908
0.01174246 0.02194334 -0.00867760
-15.34150792 15.53850611 -13.56953587
-0.00060678 0.00085339 0.00071522
0.00456162 0.00142599 -0.00011883
-17.81431237 15.15270309 -12.43228817
0.00027326 0.00011489 0.00089308
-0.02754452 -0.02180437 -0.00133211
2.76052466 15.10841252 6.21204215
0.00029127 -0.00070143 -0.00092573
-0.01305313 -0.00410550 0.00431142
0.64725647 15.77047350 8.27158630
0.00059825 -0.00101305 -0.00005766
0.00561262 -0.01036226 -0.01080839
-6.19512371 -8.38047438 1.19313857
0.00015095 0.00120607 -0.00100170
-0.00482732 0.01166453 -0.00230614
-3.48809547 -9.36937734 1.66111879
-0.00039345 -0.00070002 -0.00000406
-0.00362996 -0.00399699 0.00096854
2.43399481 -4.75873089 2.80363803
-0.00123819 0.00114330 0.00061622
-0.00641943 0.03941056 0.00795001
4.48714414 -6.23946197 1.33036520
0.00006620 -0.00122313 -0.00001540
-0.00390191 -0.00211667 0.00774124
9.30221661 5.71786658 4.32639468
-0.00046977 -0.00012279 -0.00023576
-0.02943992 0.01959693 -0.01169338
12.16430943 6.18532809 4.73941538
-0.00036457 0.00034632 0.00007141
-0.00293584 -0.00642442 -0.00206729
-7.50006818 -11.15362462 -2.20924328
0.00156013 -0.00043873 -0.00078786
-0.00495670 0.00510815 -0.00533034
-9.75604073 -9.46333781 -1.38193768
-0.00011965 0.00094854 -0.00028098
-0.00848747 0.00177972 0.00569958
4.57051359 -16.62381860 -14.25670414
-0.00064199 0.00041921 0.00028625
-0.01520760 0.00189704 0.03095756
3.09481611 -16.67595289 -11.54474353
0.00199817 -0.00035086 -0.00133831
0.01142196 -0.01573761 0.00354116
5.84772672 -6.92050981 -6.09963428
0.00011778 0.00078908 0.00045966
-0.00710547 -0.01114238 0.00828049
4.92125573 -8.49428980 -3.82045486
0.00039149 0.00132495 -0.00049717
0.00165154 -0.00029743 0.00650306
16.82633261 1.39919073 24.50628713
-0.00022570 -0.00046298 0.00048529
-0.00091368 0.01558759 0.00053936
19.75313105 2.27032844 25.05710936
0.00091427 0.00001441 -0.00119901
-0.01075341 0.00141665 -0.00378077
-9.76102697 3.19963819 2.29344887
-0.00059575 0.00113303 0.00063717
0.01946704 0.01256175 -0.01432567
-7.70274741 4.83543307 0.79871618
0.00056835 -0.00027981 -0.00008690
0.00255500 0.00649730 0.00738303
-6.47566681 14.54644499 -9.29269652
0.00092567 -0.00065844 0.00100080
-0.01632451 -0.00296183 -0.01433795
-9.25914046 13.84495137 -9.56528557
-0.00022879 -0.00030361 0.00057282
-0.03127993 -0.01045075 0.02017556
0.08548377 10.90302997 -8.28451337
0.00014635 -0.00021667 0.00032649
0.00144390 0.00566439 0.01670341
2.55692160 12.66456480 -7.92890568
0.00088710 0.00043547 0.00064648
-0.01003643 -0.01279008 0.00492991
-10.40683739 8.92641243 -13.68223449
0.00033979 0.00041158 -0.00029302
0.02942811 -0.01756738 -0.00452543
-12.52995938 9.86045249 -12.22988253
-0.00058643 0.00027986 0.00068310
-0.02573739 0.00001682 0.03488444
7.15637517 6.00353390 15.26493636
0.00024184 0.00064925 0.00080007
0.00358256 0.03207843 -0.01443513
7.21038489 4.07434911 12.86030260
-0.00040049 -0.00036690 0.00020822
0.00617160 0.01700911 0.00641070
-14.00141457 10.83100895 -8.30156471
0.00085045 0.00050983 -0.00028516
-0.00001018 -0.02185333 -0.00801091
-16.30926387 9.82325716 -9.69126018
0.00010242 0.00073567 -0.00082026
-0.02772243 0.00170631 -0.00837909
8.68475569 9.83698364 -2.04095290
-0.00048590 0.00044601 -0.00007512
-0.00646077 -0.00961261 -0.01403875
6.95088634 8.58555536 -4.16855357
0.00186308 -0.00090653 -0.00091480
0.03401638 0.00329687 0.02896262
12.17401195 -20.40532085 -26.66718182
0.00012506 0.00044929 0.00023985
-0.02663991 0.00268098 -0.00685274
13.44779839 -19.71343480 -24.04896925
0.00064780 -0.00020422 0.00053236
-0.00099702 -0.00685012 0.00139153
5.68160852 4.90229193 2.74096396
0.00012979 -0.00003298 0.00028843
-0.02170371 -0.06602635 -0.00598517
6.30150347 7.11997138 0.89433407
0.00006910 0.00120022 0.00000584
0.00411159 -0.01301297 0.01591215
20.48465243 -6.53899582 -5.65352709
0.00011304 0.00022816 -0.00028662
0.02968304 -0.01833758 0.02314595
17.87352728 -5.19238957 -5.33537533
0.00010556 -0.00065878 -0.00058669
0.01462358 -0.00204964 -0.01264886
-3.07344227 0.13343725 -1.21241117
0.00068442 0.00050140 -0.00013316
0.03134966 0.00524117 -0.02505603
-2.26501220 1.03761030 -4.06727938
-0.00127395 0.00022753 0.00022369
0.00392186 -0.01130487 0.00730583
3.56877122 -3.41163403 -12.09272935
0.00040921 -0.00016325 -0.00006531
-0.01989312 0.03222353 -0.00606366
0.80343812 -2.33958321 -11.49677796
-0.00128521 -0.00014788 0.00032508
-0.01995998 -0.01419200 0.00685135
20.03404094 8.29354922 -6.57687416
-0.00175694 0.00010071 -0.00010923
-0.02184635 -0.02630903 -0.04004389
22.00556847 8.58639094 -4.68797738
-0.00113570 0.00014077 -0.00052414
0.01831913 0.00309936 0.00995991
-7.58045594 4.70234172 8.90866006
0.00016882 -0.00004654 -0.00012707
0.00482911 -0.00353884 0.00175062
-7.38579892 6.26550786 11.22146456
-0.00054400 -0.00008799 -0.00105042
-0.00164573 0.00167839 0.01974467
-2.99186697 -16.38845648 11.70247184
0.00007907 0.00024064 -0.00088977
-0.01079844 -0.00032063 -0.00104206
-4.13593422 -13.61004336 11.77802310
0.00040950 0.00043096 -0.00020781
-0.02365426 -0.00190127 0.00203953
8.25423427 0.35017243 -3.22925538
0.00048838 0.00080072 -0.00030238
0.00449069 -0.00254409 0.05049387
7.70968394 2.12221835 -5.52273780
0.00056453 -0.00100056 0.00028886
-0.00008488 -0.00050862 -0.00726517
1.23715444 -10.65320165 1.66507431
0.00006202 -0.00003393 -0.00080455
-0.00594417 0.00489638 0.00810007
0.22424875 -8.29046568 0.11980546
-0.00043593 0.00027372 0.00068550
0.00392061 -0.00739237 0.00232748
-19.93271057 -1.36362714 6.67852032
-0.00049388 0.00035209 0.00027373
-0.00582796 -0.00314192 -0.02250734
-20.99328138 0.22145368 4.28211822
-0.00029244 -0.00050563 0.00058995
0.01496687 -0.02427954 0.01219220
-3.63336305 8.41389717 -25.00920658
-0.00031604 0.00104627 0.00013932
-0.02491825 -0.03225859 0.02132845
-4.39310938 9.09726772 -22.45881656
0.00007280 0.00006996 -0.00106845
-0.00960098 -0.02534223 0.00400972
3.66355672 1.01246012 -0.94065024
0.00024989 0.00015044 0.00008992
0.01812916 -0.02777324 0.00170712
1.00812452 1.72869545 -2.16018303
0.00086142 -0.00179589 0.00055683
0.00959079 -0.01029469 0.01159039
16.10489003 7.47974984 6.38090778
-0.00090332 -0.00025281 -0.00040457
0.00309949 0.00836405 0.01114914
15.79098319 9.06763773 3.95696522
-0.00002006 -0.00013231 -0.00043687
0.01569037 0.06805063 -0.02623635
-0.35312602 -11.81625840 -13.33853572
0.00001350 0.00000311 0.00024496
0.00885232 -0.00180269 -0.00100959
-13.93479085 14.52104296 22.14393337
-0.00001464 -0.00010703 0.00014691
-0.00020016 -0.00368104 0.00104577
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02611528
0.32842791
437.61372114
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.337 s
total exchange = -52.4621735513 (a.u.)
total exchange computation time: 2.6639750004 s
-154.3965536681
-931.35825829
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4605749336 (a.u.)
total exchange computation time: 2.6637630463 s
-154.4098676740
Anderson extrapolation: theta=1.3401030324 (1.3401030324)
-931.35854623
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.4582908703 (a.u.)
total exchange computation time: 2.6659638882 s
-154.4285351452
Anderson extrapolation: theta=0.0501415562 (0.0501415562)
-931.35871561
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.4580677208 (a.u.)
total exchange computation time: 2.6631898880 s
-154.4301904553
Anderson extrapolation: theta=1.8880520739 (1.8880520739)
-931.35872151
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4576147295 (a.u.)
total exchange computation time: 2.6643080711 s
-154.4335205054
Anderson extrapolation: theta=0.2159080356 (0.2159080356)
-931.35872728
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.338 s
total exchange = -52.4575069512 (a.u.)
total exchange computation time: 2.6639959812 s
-154.4342893997
Anderson extrapolation: theta=1.8783797818 (1.8783797818)
-931.35872827
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4573293862 (a.u.)
total exchange computation time: 2.6629118919 s
-154.4355280666
Anderson extrapolation: theta=0.2829188196 (0.2829188196)
-931.35872937
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4573061996 (a.u.)
total exchange computation time: 2.6636338234 s
-154.4356600677
Anderson extrapolation: theta=1.3045615454 (1.3045615454)
-931.35872958
-208.424430 50.620359 -160.564785
-133.797270 460.090623 -799.406302
-342.221700 510.710982 -959.971087
1139.949949
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1357490535
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4572984929 (a.u.)
total exchange computation time: 2.6627500057 s
680.42915838
-1086.83392457
89.54584455
-386.98796891
-175.05454062
79.93623111
551.60419304
0.00000000
-931.35872965
-10.92632964 -4.23385272 6.71372276
-0.00013039 -0.00005405 -0.00004643
0.04058315 -0.01978990 0.02500894
-14.09646935 3.53995651 9.39828924
0.00025625 0.00022640 -0.00018705
0.00198213 -0.01489332 -0.00393157
-15.98226539 1.32650660 3.46556203
0.00013753 0.00014936 -0.00003183
0.04356877 0.03552646 0.00181600
2.49206563 -19.81387169 12.82537037
0.00017977 -0.00009611 -0.00013253
-0.02038963 -0.01517350 -0.05137530
9.63574983 20.38216293 1.00050322
0.00008169 -0.00004569 0.00039826
-0.03123316 0.02027691 0.01357494
-11.97107918 12.59081608 15.12183658
-0.00032794 -0.00019506 0.00018533
0.00959671 0.00389725 -0.01275880
-6.28551445 1.49254564 -12.26452961
0.00017858 -0.00019289 -0.00029785
-0.00658737 -0.01807012 0.02331206
-7.39832675 7.80320051 -5.91748760
0.00003217 -0.00009597 -0.00010459
-0.00333580 0.01410902 -0.02309298
-7.69036291 -4.37426355 17.82294156
-0.00013791 0.00016297 -0.00015387
0.01941990 -0.01150894 -0.02449195
-23.49022719 -5.01339301 -22.56770922
-0.00015555 -0.00032266 -0.00014963
0.00683078 0.03852811 -0.01276636
6.64494402 12.76828038 6.05353174
0.00003300 -0.00010138 0.00003576
-0.02353196 0.01471423 -0.00072479
24.69722726 30.42592044 -2.88730385
0.00012873 0.00011207 -0.00012541
0.01715264 -0.02972586 -0.01959335
7.92067911 -1.21838118 -14.48832862
-0.00001854 0.00032531 -0.00032578
-0.00940658 0.02353728 0.04358233
-7.27539691 -0.94326730 14.40611400
-0.00024965 0.00001325 0.00012551
0.05594065 0.04527601 -0.04259878
-1.87263162 -26.23418508 11.31028064
0.00038134 0.00003232 -0.00007717
0.01188007 -0.00140185 0.02711084
-14.14493448 -4.57980458 -7.03467954
0.00028414 0.00025472 0.00012026
-0.00754914 -0.00412268 -0.01046150
-19.98929322 -12.54656977 -17.79184035
-0.00006101 -0.00023360 0.00021279
-0.03225710 -0.04460868 -0.03738673
22.72302045 3.62824938 3.02383157
0.00018325 -0.00007623 -0.00014853
-0.01214225 -0.02468166 0.00670463
17.76298655 -10.14752849 -14.34733084
0.00003892 -0.00034932 -0.00000152
0.02469241 -0.00540764 -0.03251397
-2.09927602 1.87630829 -7.08012673
0.00030769 -0.00008904 0.00024476
-0.00392089 0.00238323 -0.00923344
-4.17427490 -3.04397255 -15.62044926
-0.00015533 0.00001050 0.00004533
0.00950577 0.01083540 0.00301739
13.35439588 17.25158465 -20.12906954
-0.00006952 0.00013559 0.00030910
0.01202290 -0.03758736 0.01644846
-16.30821054 16.05610129 -12.10248890
0.00060424 -0.00001535 -0.00023537
0.01436701 0.02430679 0.02053539
1.67354391 14.41053597 7.53775000
0.00055643 0.00063820 0.00000818
0.00084479 0.00347292 0.00338710
-5.27117471 -9.61495422 2.13703354
-0.00013688 -0.00026372 0.00036237
0.00638932 -0.00285277 -0.00003877
3.08473018 -6.37895958 2.53739320
0.00011068 -0.00040126 0.00012832
0.01343338 -0.01751602 -0.00359067
10.85411532 4.88412566 4.50466103
0.00009399 0.00011556 -0.00028710
0.03210469 -0.00999787 0.01692436
-8.53157991 -9.69753251 -2.70211046
-0.00005378 0.00019132 -0.00031356
0.01390953 -0.01145343 -0.00217860
3.16039327 -15.99276279 -13.21037115
0.00003267 0.00002983 0.00016393
-0.00473878 0.02178843 -0.04050051
4.84433901 -8.44295907 -5.62294928
-0.00017396 -0.00005308 0.00041318
0.00486071 0.02065970 -0.02029063
18.55603578 0.88291331 24.75501400
-0.00005964 0.00038478 -0.00021426
0.01016318 -0.02034312 0.00412554
-8.29047777 3.13714266 1.08964614
-0.00049876 -0.00008412 0.00017810
-0.01539162 -0.01262410 0.00862814
-7.82309920 14.21223626 -10.53615343
0.00032728 0.00003548 0.00016114
0.04709229 0.01197713 0.00054206
1.69304992 11.38081655 -8.96430342
0.00000189 -0.00000841 -0.00001340
0.01380657 0.01055612 -0.01932019
-11.79380509 10.02078386 -13.83829707
0.00030545 0.00021647 -0.00021277
-0.00967968 0.01466779 -0.02008973
7.14636449 4.33791464 14.68914900
-0.00044988 0.00030941 -0.00010934
-0.00507773 -0.04064981 0.00646814
-14.67365473 9.29521066 -9.23241978
-0.00028978 -0.00043117 0.00044240
0.02081072 0.01692011 0.01307300
8.52034451 8.31183051 -3.10387626
-0.00020264 -0.00019229 -0.00012739
-0.02169770 0.01265792 -0.00325549
13.70039191 -20.40731284 -25.76267594
0.00013697 -0.00013615 -0.00024505
0.02745561 -0.00008684 0.00325977
6.32061064 6.50496035 2.64654477
-0.00014488 0.00021657 -0.00026311
0.01219322 0.07539267 -0.01209644
19.18660022 -5.77411418 -6.55259966
-0.00031993 0.00003866 -0.00024016
-0.04552693 0.01797052 -0.00452386
-1.70061520 0.04558221 -2.56370337
0.00012376 -0.00019079 -0.00027280
-0.03093095 0.00743542 0.01947078
2.36592367 -1.89117207 -12.29324969
-0.00001685 0.00013796 0.00035312
0.04572113 -0.02207431 -0.00223727
20.45065099 9.35852725 -5.25838014
-0.00041736 0.00001555 0.00000528
-0.00834189 0.02316540 0.01970480
-7.47563558 6.46179475 9.44768944
-0.00007186 -0.00008456 0.00019654
-0.01316534 -0.00017128 -0.02504833
-2.67854421 -14.60906422 11.53428303
0.00012160 -0.00000869 -0.00023445
0.03660856 0.00479230 0.00268750
8.13279083 0.39520918 -4.96262326
-0.00006256 -0.00015794 -0.00000985
-0.00045136 -0.01548424 -0.04061173
-0.04526793 -10.08745413 0.47075826
-0.00011836 -0.00030207 -0.00018440
-0.00756765 0.00157861 -0.01494543
-20.11060739 -1.39969885 4.76322249
-0.00021836 0.00036037 -0.00003990
-0.01140699 0.02236311 0.01304717
-4.68090644 7.57597632 -23.52998609
0.00017485 0.00001707 -0.00019873
0.03362679 0.05726878 -0.02137701
2.57758381 2.34725198 -1.30215322
-0.00002846 -0.00005749 0.00041655
-0.02576381 0.03471665 -0.00959744
15.53027606 7.53678419 4.67211580
0.00003616 -0.00026937 -0.00001806
-0.02390460 -0.06884426 0.00172318
-9.28861750 -4.77824157 7.48375260
-0.00022543 0.00037726 0.00031365
-0.03125612 0.00593367 -0.00428051
-10.39354796 -3.72769568 5.06514501
0.00072489 -0.00001643 0.00011969
0.00403877 -0.00150295 -0.02123649
-12.89277130 4.68580675 8.71376386
0.00028940 0.00023155 -0.00068670
0.00886109 0.01813083 -0.00120883
-13.47670024 1.95916516 8.62908826
-0.00032143 -0.00078763 -0.00027736
-0.00981087 0.00427513 0.00463330
-15.03099654 1.60827482 5.04577382
-0.00154607 0.00111336 -0.00043878
-0.00454578 -0.00392930 -0.01567670
-17.12500838 0.10131717 4.02101900
-0.00014548 0.00045214 0.00013443
-0.03864213 -0.03145491 0.01118564
2.94540731 -21.26560363 11.66953476
0.00081955 0.00038946 0.00052932
-0.01236684 0.01798437 0.01396735
3.50261752 -20.01493868 14.23411199
0.00062608 0.00058066 0.00064928
0.03038975 -0.00006680 0.03730217
8.52898581 18.93969653 1.10454821
-0.00014083 0.00011823 0.00069718
0.00813303 -0.02089997 -0.01137189
8.44169568 21.51308797 1.93390448
-0.00013655 -0.00051044 0.00004830
0.01916594 0.00821648 -0.00783131
-10.84654423 11.97117588 16.38630627
-0.00096397 -0.00094224 -0.00022805
0.01087866 -0.00648150 0.01318112
-12.54567953 14.15792740 15.79273817
-0.00023543 0.00043803 0.00009986
-0.00747736 0.01798433 0.00280706
-5.43154116 0.18988682 -13.27791181
0.00046534 0.00031705 0.00034214
-0.01048201 0.00773376 0.01358180
-6.80918885 0.73268255 -10.51470082
0.00020270 -0.00008894 -0.00112942
0.01676880 0.00800525 -0.03631236
-6.81383354 6.42188889 -4.96244388
-0.00022456 0.00004286 -0.00040304
0.01171016 -0.01958062 0.01456109
-9.13750548 7.85590070 -5.44947964
-0.00028173 0.00047995 0.00022810
-0.01306149 0.00217171 0.00004329
-8.51271162 -3.41105545 19.03900406
0.00041431 0.00069277 0.00051085
-0.01595015 0.02939612 0.02329822
-7.76293068 -6.00588786 18.53541022
-0.00031516 0.00002073 -0.00015710
-0.00358762 -0.03149598 0.00858267
-23.19418731 -3.29371694 -23.34213210
-0.00020594 -0.00015556 -0.00017706
-0.01017594 -0.02921833 -0.00063491
-23.10708111 -4.58041786 -20.84718596
0.00049413 -0.00103535 -0.00042373
-0.00501173 -0.00611790 0.00752934
6.62062022 13.31396519 4.30411442
-0.00012100 0.00021989 -0.00037038
0.01304434 -0.00561176 0.00234816
8.07610541 11.74084737 6.47129633
-0.00033011 0.00074253 0.00032626
0.01499610 -0.00805033 -0.00463002
24.71121646 28.72507606 -2.18774089
0.00060210 0.00057622 -0.00067239
-0.00163663 0.00882024 0.00017497
23.96610816 31.54952812 -1.71666142
0.00037719 0.00040699 0.00011665
-0.01411025 0.01874035 0.02418149
9.44303969 -2.27111022 -14.77565424
0.00000269 0.00013775 -0.00121581
-0.00145333 -0.00406718 0.00630737
7.81809021 -0.98531991 -12.60476874
0.00073568 -0.00128601 0.00039089
-0.00054863 -0.01399511 -0.03725399
-7.36585332 -0.09787947 15.98448384
-0.00030394 0.00014493 -0.00066027
-0.01383421 -0.00142223 0.02207163
-8.40328752 -2.17670854 13.96864317
-0.00071576 0.00021098 -0.00043246
-0.03913318 -0.03650193 0.00944230
-2.63306121 -26.66963570 13.01277357
-0.00055266 0.00009145 -0.00015165
0.00987530 0.00100965 -0.02000948
-3.11970491 -25.90290869 10.07504086
-0.00034539 0.00006739 0.00039567
-0.01751085 0.00182610 -0.01469759
-14.28635892 -2.89857028 -6.31229129
-0.00127825 -0.00004675 0.00026597
0.00147289 0.00692238 0.00231147
-14.94675171 -4.53337218 -8.69476509
0.00038615 -0.00026351 0.00001680
0.00582103 -0.00180031 0.00243314
-19.24925336 -11.31684594 -16.79998408
-0.00049244 0.00121876 0.00013876
0.03683788 0.02745193 0.02404105
-18.76117623 -13.81409308 -18.38549577
0.00096963 0.00037092 -0.00010254
0.00460202 0.01778074 0.01314823
23.56898730 3.15120175 1.38191892
0.00120776 -0.00023944 0.00063125
0.00235117 0.02646933 0.01040407
22.87453765 5.19411379 3.93924138
-0.00038407 -0.00013982 0.00040095
0.00975455 0.00079306 -0.01435225
16.31932786 -9.89309032 -13.37320998
-0.00096551 -0.00050771 0.00025705
-0.03275217 0.00936884 0.02915578
17.17715279 -9.79127294 -16.06166848
-0.00114387 -0.00066604 -0.00050555
0.00850006 0.00042783 0.00315533
-0.59405459 2.34759569 -8.02025506
-0.00018874 -0.00078333 -0.00009753
0.01145670 0.00692232 0.00224200
-2.29483133 0.20240583 -7.75280279
0.00057991 -0.00100912 0.00125509
-0.01240615 -0.00760444 -0.00040677
-5.65075667 -3.32212498 -16.61011357
-0.00031610 -0.00106395 -0.00063775
-0.01110373 -0.00748726 -0.00714459
-3.31064313 -1.79554713 -16.66571795
-0.00087151 0.00047237 0.00021723
0.00018585 0.00037732 -0.00003400
12.89655291 18.80666336 -20.88863696
-0.00010868 0.00054906 0.00088770
-0.01813054 0.01118288 -0.01014915
11.88749860 16.06964909 -20.13757860
0.00016506 -0.00022783 0.00045333
0.01197034 0.02280000 -0.00881991
-15.35046982 15.55135071 -13.55881119
-0.00057508 0.00085228 0.00069472
0.01095377 -0.00196963 -0.00991570
-17.81105755 15.15375835 -12.41893285
0.00016241 0.00002661 0.00088732
-0.02671687 -0.02140902 -0.00148521
2.76449376 15.09776529 6.19828835
0.00023716 -0.00071550 -0.00090710
-0.01343477 -0.00278327 0.00480545
0.65640226 15.75496025 8.27039013
0.00061231 -0.00104017 -0.00009655
0.00126586 -0.00291345 -0.00822830
-6.19300734 -8.36202587 1.17804240
0.00014327 0.00123572 -0.00099715
0.00106860 0.00284915 0.00453314
-3.49410849 -9.38000013 1.66108758
-0.00040465 -0.00071653 0.00000011
-0.00184947 -0.00408539 0.00107061
2.41522524 -4.74037373 2.81312501
-0.00124800 0.00126984 0.00064183
0.00161596 0.02253078 0.00458489
4.48801763 -6.25787374 1.33037137
0.00005005 -0.00122887 0.00001595
-0.00400648 -0.00069251 0.00760836
9.29426793 5.71662521 4.32249994
-0.00058299 -0.00004640 -0.00028281
-0.02598321 0.01779904 -0.01133989
12.15875088 6.19032598 4.74042320
-0.00037536 0.00032126 0.00006295
-0.00234276 -0.00584209 -0.00207704
-7.47681818 -11.16004906 -2.22122459
0.00152730 -0.00040389 -0.00081170
-0.01111384 0.01194588 -0.00633735
-9.75809554 -9.44905524 -1.38597777
-0.00015086 0.00095289 -0.00025870
-0.00679044 0.00035174 0.00520984
4.56041775 -16.61747237 -14.25146177
-0.00069621 0.00042477 0.00040447
-0.01133559 0.00082742 0.02691443
3.12513873 -16.68169810 -11.56470964
0.00204205 -0.00042220 -0.00130225
0.01005435 -0.01918307 0.01411088
5.84927573 -6.90901502 -6.09248557
0.00008378 0.00073574 0.00049307
-0.00953704 -0.01496838 0.00807132
4.92717863 -8.47442468 -3.82771307
0.00039735 0.00132113 -0.00045403
0.00122029 -0.00157139 0.01461236
16.82291913 1.39272375 24.51358298
-0.00023084 -0.00039699 0.00048701
-0.00160135 0.01671443 0.00030321
19.76651565 2.27058797 25.03900836
0.00086773 0.00002000 -0.00121406
-0.01203009 0.00131840 -0.00358428
-9.76936662 3.21701859 2.30256749
-0.00051424 0.00118357 0.00057659
0.02043164 0.01217563 -0.01533262
-7.69414388 4.83143505 0.79763893
0.00057774 -0.00025635 -0.00005621
0.00204351 0.00498567 0.00764147
-6.46228194 14.53647762 -9.27812394
0.00085098 -0.00067207 0.00093495
-0.02023880 -0.00371061 -0.01789157
-9.26353086 13.84007693 -9.55607507
-0.00034405 -0.00034317 0.00064714
-0.02514188 -0.00891454 0.01620829
0.08772326 10.89995345 -8.27910412
0.00015311 -0.00019332 0.00039473
0.00186647 0.00576876 0.01669658
2.56992049 12.67070497 -7.91905735
0.00083924 0.00037349 0.00065953
-0.01338778 -0.01755177 0.00145810
-10.40083885 8.93204785 -13.68676847
0.00045963 0.00033937 -0.00030983
0.02923596 -0.01777974 -0.00370073
-12.53954447 9.86465096 -12.21856700
-0.00068085 0.00028031 0.00080499
-0.02048463 0.00020065 0.02477974
7.16011258 6.01425567 15.27649510
0.00025643 0.00076785 0.00073477
0.00356021 0.02597658 -0.01752950
7.20456672 4.06936681 12.86362235
-0.00037480 -0.00029535 0.00023104
0.00640377 0.01801706 0.00476071
-13.98865813 10.83798674 -8.30608752
0.00084681 0.00041459 -0.00032033
-0.00177106 -0.02476592 -0.00920579
-16.30857703 9.83434450 -9.70382081
-0.00000474 0.00074085 -0.00085250
-0.02473406 0.00082735 -0.00740568
8.67726922 9.84337922 -2.04250993
-0.00051313 0.00040101 -0.00013679
-0.00686688 -0.01241561 -0.01614643
6.97987497 8.57205838 -4.18138805
0.00198751 -0.00088942 -0.00080436
0.02688890 0.00508177 0.02509607
12.17507148 -20.39849941 -26.66379405
0.00001352 0.00046046 0.00021024
-0.02795856 0.00278896 -0.00764343
13.45748485 -19.71670801 -24.04094120
0.00064402 -0.00023471 0.00053149
-0.00085408 -0.00807504 -0.00181770
5.68289029 4.89977397 2.74510701
0.00004320 -0.00029663 0.00026170
-0.02068074 -0.06302967 -0.00710184
6.30266602 7.13757593 0.89490925
0.00008501 0.00114442 0.00007101
0.00367631 -0.01430207 0.01598951
20.48725759 -6.53613538 -5.65711720
0.00023016 0.00015594 -0.00019546
0.02765091 -0.01701484 0.02147990
17.87555883 -5.20233412 -5.34456328
0.00015835 -0.00066375 -0.00063200
0.01121635 -0.00038423 -0.00953126
-3.06221532 0.14111889 -1.21517643
0.00080991 0.00052130 -0.00023162
0.03007992 0.00450104 -0.02314090
-2.28400132 1.04067684 -4.06370022
-0.00125394 0.00018002 0.00025508
0.00587446 -0.01195221 0.00806116
3.57429973 -3.41309540 -12.09389483
0.00032401 -0.00002858 -0.00008991
-0.02181132 0.03370074 -0.00597522
0.78354833 -2.34223635 -11.49169179
-0.00135066 -0.00020268 0.00034551
-0.01207823 -0.01263320 0.00314721
20.00701742 8.29425364 -6.57973971
-0.00184331 -0.00000108 -0.00026483
-0.02043420 -0.02351542 -0.03612042
21.98909426 8.58859753 -4.69553430
-0.00105079 0.00014746 -0.00048044
0.02324640 0.00017133 0.01143435
-7.57777565 4.70153517 8.90680760
0.00018847 -0.00005988 -0.00011993
0.00478888 -0.00298888 0.00174794
-7.39400940 6.26423943 11.20631334
-0.00054957 -0.00008316 -0.00094708
-0.00107863 0.00068513 0.03084186
-2.99101180 -16.38485674 11.68909331
0.00003368 0.00023488 -0.00089350
-0.01142287 -0.00249567 -0.00078260
-4.13051653 -13.60363722 11.77496843
0.00031324 0.00042210 -0.00019992
-0.02346898 -0.00243634 0.00182422
8.26169764 0.36210529 -3.23224376
0.00050777 0.00078984 -0.00009208
0.00499697 -0.00278079 0.05245046
7.71814935 2.10719439 -5.51862749
0.00056081 -0.00099061 0.00025448
-0.00173628 0.00537848 -0.00956655
1.23790252 -10.65356056 1.65325424
0.00004089 -0.00001620 -0.00076774
-0.00439500 0.00378024 0.00992020
0.21782998 -8.28658641 0.13015924
-0.00042075 0.00023874 0.00069477
0.00350819 -0.00972835 0.00221151
-19.94029734 -1.35844213 6.68193655
-0.00051707 0.00033803 0.00018039
-0.00552629 -0.00373792 -0.02318284
-20.99720931 0.21312527 4.29134108
-0.00023608 -0.00059619 0.00063582
0.01261801 -0.02005380 0.01025941
-3.63886722 8.42860274 -25.00646327
-0.00041611 0.00091205 0.00022308
-0.02406470 -0.03344563 0.01967616
-4.39231165 9.09754053 -22.47472043
0.00003385 -0.00002903 -0.00104531
-0.00946143 -0.02311443 0.00731840
3.66786065 1.01386566 -0.93924914
0.00032599 0.00003804 0.00009762
0.01912059 -0.02724848 0.00206253
1.02133976 1.70144163 -2.15147540
0.00089624 -0.00183527 0.00060207
0.00745287 -0.00898286 0.01055336
16.09143515 7.47621393 6.37518089
-0.00088668 -0.00021812 -0.00034887
0.00504890 0.00861741 0.01611444
15.79116313 9.06773836 3.94960817
0.00004260 0.00013646 -0.00053956
0.01497920 0.06351292 -0.02403007
-0.35289969 -11.81621655 -13.33486399
0.00001670 0.00000247 0.00024458
0.00897958 -0.00181405 -0.00111787
-13.93501081 14.51943111 22.14613882
-0.00001469 -0.00010789 0.00014714
-0.00021562 -0.00374902 0.00096360
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02616098
0.33256867
443.13107452
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1358788534
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4540006928 (a.u.)
total exchange computation time: 2.7142372131 s
-154.3657902745
-931.36247926
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1358788534
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.4525187018 (a.u.)
total exchange computation time: 2.7148530483 s
-154.3781488470
Anderson extrapolation: theta=1.3533105674 (1.3533105674)
-931.36275167
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1358788534
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4503678376 (a.u.)
total exchange computation time: 2.7140858173 s
-154.3957085717
Anderson extrapolation: theta=0.0549572437 (0.0549572437)
-931.36291526
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1358788534
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.4501402785 (a.u.)
total exchange computation time: 2.7144739628 s
-154.3973774130
Anderson extrapolation: theta=2.0232834044 (2.0000000000)
-931.36292198
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1358788534
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4496596194 (a.u.)
total exchange computation time: 2.7180178165 s
-154.4008619325
Anderson extrapolation: theta=0.2451661973 (0.2451661973)
-931.36292961
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1358788534
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.4495400222 (a.u.)
total exchange computation time: 2.7141430378 s
-154.4016986455
Anderson extrapolation: theta=1.7583845212 (1.7583845212)
-931.36293119
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1358788534
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.4493620297 (a.u.)
total exchange computation time: 2.7155070305 s
-154.4029105766
Anderson extrapolation: theta=0.2968365048 (0.2968365048)
-931.36293302
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1358788534
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4493423714 (a.u.)
total exchange computation time: 2.7118129730 s
-154.4030095384
Anderson extrapolation: theta=1.2289191989 (1.2289191989)
-931.36293346
-208.445492 50.645574 -160.524247
-133.798591 460.122516 -799.437665
-342.244083 510.768090 -959.961912
1139.974529
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1358788534
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4493441701 (a.u.)
total exchange computation time: 2.7136728764 s
680.30008102
-1086.55002255
89.55239217
-387.18294624
-175.03309398
79.78068901
551.60419304
0.00000000
-931.36293375
-10.92812896 -4.23473978 6.71312280
-0.00010955 -0.00006404 -0.00003397
0.04044982 -0.01906525 0.02343599
-14.09261788 3.54329506 9.39546838
0.00025780 0.00021818 -0.00018961
0.00401143 -0.01706137 -0.00602195
-15.98003437 1.32888410 3.46509158
0.00015861 0.00016712 -0.00003225
0.03839968 0.03352311 -0.00344817
2.49468358 -19.81537191 12.82318426
0.00017051 -0.00010353 -0.00015646
-0.01564911 -0.01364983 -0.04167184
9.63685467 20.38155575 1.00652953
0.00006570 -0.00003569 0.00040503
-0.03092123 0.01863436 0.01273865
-11.97596133 12.58790526 15.12456733
-0.00032391 -0.00019181 0.00017840
0.00609288 0.00873410 -0.01419232
-6.28286115 1.48958260 -12.26890746
0.00017494 -0.00020123 -0.00028601
-0.00757241 -0.01436409 0.02272710
-7.39785706 7.80181539 -5.91914552
0.00002935 -0.00008807 -0.00011661
-0.00764460 0.01662149 -0.02364051
-7.69235670 -4.37186345 17.82053905
-0.00012865 0.00015743 -0.00016533
0.01661944 -0.01001623 -0.02008907
-23.49253411 -5.01808427 -22.57000299
-0.00015216 -0.00030293 -0.00015682
0.00636260 0.03820502 -0.01515978
6.64534824 12.76681637 6.05406541
0.00001967 -0.00009274 0.00003422
-0.02830888 0.01888841 -0.00528182
24.69922438 30.42748684 -2.88926058
0.00013724 0.00009847 -0.00013557
0.01592935 -0.02315474 -0.01990454
7.92036470 -1.21341078 -14.49304724
-0.00002300 0.00033707 -0.00030277
-0.00791900 0.02221976 0.04591124
-7.27892584 -0.94289386 14.40783239
-0.00022141 0.00003496 0.00010209
0.05384704 0.03912845 -0.04848839
-1.86686568 -26.23370568 11.30922760
0.00038656 0.00003161 -0.00006328
0.00842491 -0.00135902 0.02691488
-14.14070153 -4.57599972 -7.03291598
0.00028016 0.00025237 0.00011482
-0.00791962 -0.00500416 -0.01069836
-19.99033273 -12.55024586 -17.78879269
-0.00007623 -0.00025530 0.00019476
-0.02694025 -0.03978144 -0.03273548
22.72572242 3.62701065 3.02162947
0.00017683 -0.00008858 -0.00014462
-0.01282819 -0.02332910 0.00851255
17.76366559 -10.15278908 -14.34747908
0.00004900 -0.00035146 -0.00001810
0.01452636 -0.00294732 -0.03197052
-2.09467573 1.87498188 -7.07649093
0.00030494 -0.00008898 0.00023993
-0.00678322 -0.00213563 -0.00953762
-4.17656814 -3.04377326 -15.61975765
-0.00015182 0.00001567 0.00004620
0.00413148 0.00927267 0.00034676
13.35339944 17.25347347 -20.12436955
-0.00006326 0.00011655 0.00031745
0.01230728 -0.03645424 0.01600369
-16.29909154 16.05596481 -12.10594029
0.00060947 -0.00000220 -0.00022214
0.00597202 0.02681340 0.03093289
1.68189369 14.42012239 7.53788576
0.00055818 0.00063761 0.00000910
0.00595038 -0.00579159 0.00018931
-5.27320332 -9.61892104 2.14246895
-0.00013545 -0.00026304 0.00036070
-0.00082871 0.00549882 -0.00644890
3.08644222 -6.38504601 2.53930412
0.00011559 -0.00040651 0.00012744
0.00566050 -0.00290120 0.00015926
10.85564896 4.88582051 4.50041974
0.00010911 0.00011087 -0.00027853
0.02670671 -0.00824372 0.01642362
-8.53233290 -9.69470682 -2.70682220
-0.00004569 0.00018423 -0.00031430
0.01751689 -0.01614213 -0.00071737
3.16086503 -15.99223131 -13.20806840
0.00002934 0.00004226 0.00014176
-0.00821295 0.02654458 -0.04572141
4.84174835 -8.44367563 -5.61682977
-0.00017080 -0.00004130 0.00040080
0.00742012 0.02517596 -0.02785375
18.55518042 0.88860659 24.75181599
-0.00005394 0.00037412 -0.00021210
0.01199588 -0.02113803 0.00427243
-8.29801851 3.13583216 1.09235091
-0.00050660 -0.00009007 0.00018252
-0.01508539 -0.01052151 0.00856658
-7.81800833 14.21281471 -10.53373423
0.00035053 0.00004131 0.00016332
0.04331389 0.01067602 0.00794990
1.69313155 11.38073113 -8.96457890
0.00000961 -0.00000192 -0.00002246
0.01620068 0.01469816 -0.01593543
-11.78926062 10.02408745 -13.84156614
0.00029933 0.00022379 -0.00022057
-0.01412677 0.01379119 -0.01023293
7.13959674 4.34239894 14.68753385
-0.00045253 0.00028988 -0.00010473
-0.00521950 -0.03528715 0.01145222
-14.67792113 9.28880843 -9.22573329
-0.00027963 -0.00042147 0.00044900
0.01865848 0.02077322 0.01257939
8.51722117 8.30899498 -3.10579969
-0.00021159 -0.00018558 -0.00012733
-0.01310027 0.01344732 0.00349542
13.70255242 -20.40935548 -25.76633914
0.00015114 -0.00013588 -0.00024240
0.02763677 0.00115884 0.00704354
6.31848451 6.50849966 2.64255138
-0.00013906 0.00025407 -0.00026887
0.01042593 0.07043104 -0.01029991
19.18162572 -5.77346499 -6.55621951
-0.00034149 0.00004689 -0.00024276
-0.03834678 0.01403175 -0.00558621
-1.69887816 0.04274909 -2.56772022
0.00010797 -0.00018673 -0.00026342
-0.03047703 0.00833053 0.01700995
2.36584724 -1.88918775 -12.28796146
0.00000500 0.00012597 0.00035267
0.03925203 -0.02458440 0.00048578
20.44435840 9.35884984 -5.25822501
-0.00042329 0.00002722 0.00001370
-0.01471346 0.02220112 0.01305513
-7.47676425 6.46052572 9.45054094
-0.00007871 -0.00008456 0.00018094
-0.01348025 0.00017280 -0.03562683
-2.67657900 -14.60917610 11.53077665
0.00014030 -0.00000547 -0.00023303
0.03609801 0.00771954 0.00283471
8.13185065 0.39278034 -4.96292768
-0.00006253 -0.00016736 -0.00002995
0.00057728 -0.02115536 -0.03755911
-0.04707253 -10.09197903 0.46793462
-0.00012253 -0.00030044 -0.00019252
-0.00866289 0.00476336 -0.01662081
-20.11392679 -1.39420701 4.76267436
-0.00022354 0.00037062 -0.00003253
-0.00875140 0.01747510 0.01558649
-4.67815394 7.57645333 -23.53304948
0.00019177 0.00004598 -0.00021006
0.03217063 0.05515561 -0.02268353
2.57705752 2.34652358 -1.29594206
-0.00004110 -0.00004041 0.00041178
-0.02338179 0.03171365 -0.00893042
15.53072628 7.53247804 4.67185157
0.00002377 -0.00030288 -0.00001930
-0.02428758 -0.06147354 -0.00655303
-9.29295674 -4.77240090 7.48832612
-0.00035170 0.00040066 0.00029754
-0.03055278 0.00552305 -0.00360281
-10.38255078 -3.72798825 5.06628967
0.00074014 -0.00002331 0.00003481
0.00342258 -0.00186061 -0.02031446
-12.88815872 4.68983559 8.70342625
0.00032295 0.00030142 -0.00069033
0.00756089 0.01607008 -0.00056825
-13.48182235 1.94748169 8.62506990
-0.00036360 -0.00076213 -0.00025565
-0.01083133 0.00820628 0.00599064
-15.05432688 1.62485475 5.03871176
-0.00155558 0.00109981 -0.00049039
-0.00010966 -0.00270317 -0.00958655
-17.12837474 0.10713537 4.02337824
-0.00030215 0.00032542 0.00017860
-0.03804715 -0.03057618 0.01043536
2.95732157 -21.25921067 11.67790258
0.00077021 0.00045711 0.00058200
-0.01178462 0.01513346 0.01181916
3.51293994 -20.00623089 14.24499430
0.00073924 0.00058317 0.00078632
0.02500434 0.00129934 0.02977882
8.52712264 18.94082950 1.11465748
-0.00010653 0.00003229 0.00065012
0.00865291 -0.02116777 -0.01166313
8.44023469 21.50568318 1.93438906
-0.00005968 -0.00047285 0.00001867
0.01846642 0.01018335 -0.00667704
-10.86067048 11.95684374 16.38328942
-0.00091577 -0.00096998 -0.00016917
0.01271770 -0.00710137 0.01564271
-12.54944011 14.16504890 15.79432204
-0.00026238 0.00050333 0.00010881
-0.00571239 0.01398428 0.00157692
-5.42488233 0.19487955 -13.27236353
0.00042624 0.00034297 0.00039232
-0.00865369 0.00495532 0.01098097
-6.80563449 0.73159371 -10.53275482
0.00026940 -0.00005770 -0.00127136
0.01588084 0.00728768 -0.03316939
-6.81684307 6.42193171 -4.96804332
-0.00017536 -0.00004169 -0.00034059
0.01237178 -0.02180269 0.01600813
-9.14213172 7.86316647 -5.44605688
-0.00032759 0.00048815 0.00022667
-0.00938510 0.00184098 -0.00074331
-8.50698573 -3.39976316 19.04738071
0.00035501 0.00080605 0.00059821
-0.01307823 0.02605647 0.01946566
-7.76776797 -6.00654198 18.53331677
-0.00033005 -0.00010433 -0.00012309
-0.00370456 -0.02972319 0.00806396
-23.19758829 -3.29694564 -23.34480742
-0.00024779 -0.00027577 -0.00017857
-0.01030975 -0.02962560 -0.00010623
-23.09982277 -4.59613551 -20.85331116
0.00047447 -0.00105869 -0.00038911
-0.00460996 -0.00531163 0.00941840
6.61920496 13.31709160 4.29863070
-0.00006690 0.00019439 -0.00035360
0.01343516 -0.00687083 0.00586361
8.07161334 11.75173867 6.47604840
-0.00026003 0.00070358 0.00030894
0.01930513 -0.01101929 -0.00384882
24.72019787 28.73398966 -2.19782142
0.00059494 0.00060352 -0.00066734
-0.00187245 0.00454497 0.00229841
23.97133363 31.55620726 -1.71417073
0.00032199 0.00047891 0.00021132
-0.01290887 0.01646365 0.02215987
9.44303544 -2.26916864 -14.79369807
-0.00000568 0.00012293 -0.00118950
-0.00264274 -0.00318556 0.00656980
7.82910865 -1.00503897 -12.60004704
0.00073290 -0.00134233 0.00023394
-0.00081328 -0.01356988 -0.03957026
-7.37083628 -0.09574913 15.97525606
-0.00036171 0.00014376 -0.00056111
-0.01444723 0.00085149 0.02647028
-8.41522301 -2.17466233 13.96244560
-0.00086983 0.00006926 -0.00039138
-0.03628504 -0.03287192 0.01066803
-2.64104847 -26.66823306 13.00988567
-0.00050913 0.00009600 -0.00023436
0.01143061 0.00121771 -0.02047772
-3.12542227 -25.90184187 10.08052549
-0.00041292 0.00007438 0.00033702
-0.01554742 0.00159698 -0.01401239
-14.30548750 -2.89905947 -6.30823087
-0.00127159 -0.00001737 0.00027582
0.00178478 0.00746052 0.00250980
-14.94078106 -4.53737997 -8.69443853
0.00040990 -0.00027075 0.00002683
0.00580441 -0.00174675 0.00247518
-19.25551112 -11.29772335 -16.79716600
-0.00034998 0.00131789 0.00022592
0.03289446 0.02107410 0.01862325
-18.74649081 -13.80798442 -18.38663102
0.00098546 0.00044626 -0.00004714
0.00314660 0.01910077 0.01396952
23.58717571 3.14842132 1.39170646
0.00121746 -0.00013143 0.00067133
0.00239797 0.02640063 0.00921625
22.86907545 5.19204076 3.94481585
-0.00034387 -0.00013868 0.00034089
0.00992698 -0.00023151 -0.01504738
16.30384156 -9.90041893 -13.36846087
-0.00108286 -0.00047234 0.00036592
-0.02468854 0.00794581 0.02413977
17.16025526 -9.80125041 -16.06915510
-0.00110468 -0.00066618 -0.00048333
0.01068200 -0.00049761 0.00772284
-0.59653456 2.33605793 -8.02164926
-0.00013707 -0.00075266 -0.00009121
0.01383378 0.00809016 0.00084900
-2.28651290 0.18703596 -7.73398885
0.00052991 -0.00103307 0.00125626
-0.01206510 -0.00411836 0.00097877
-5.65583840 -3.33831370 -16.61989875
-0.00035127 -0.00109271 -0.00066043
-0.00611074 -0.00658986 -0.00395567
-3.32371011 -1.78845001 -16.66246060
-0.00086981 0.00047523 0.00021575
0.00064534 0.00101994 -0.00068867
12.89436711 18.81524196 -20.87563246
-0.00018271 0.00059178 0.00084723
-0.01810511 0.00972779 -0.00966267
11.89034127 16.06693030 -20.13104885
0.00021350 -0.00013392 0.00041711
0.01174316 0.02316785 -0.00891045
-15.35876040 15.56407461 -13.54869419
-0.00051697 0.00083704 0.00063313
0.01749425 -0.00549122 -0.02023393
-17.80944011 15.15350153 -12.40566855
0.00005753 -0.00005851 0.00088128
-0.02462029 -0.02025935 -0.00147261
2.76763950 15.08694749 6.18482905
0.00018179 -0.00072402 -0.00088680
-0.01366902 -0.00138828 0.00513395
0.66562562 15.73926845 8.26868968
0.00060740 -0.00103588 -0.00012408
-0.00366630 0.00501023 -0.00524772
-6.19082548 -8.34340275 1.16322406
0.00015831 0.00123056 -0.00096552
0.00629182 -0.00537480 0.01095133
-3.50023485 -9.39087331 1.66112199
-0.00040843 -0.00073337 0.00000457
-0.00000366 -0.00415903 0.00111609
2.39655470 -4.72063575 2.82289299
-0.00122571 0.00132985 0.00065410
0.00929660 0.00684474 0.00142176
4.48864557 -6.27632796 1.33084382
0.00003388 -0.00122886 0.00004639
-0.00390597 0.00069612 0.00729160
9.28472684 5.71647468 4.31791023
-0.00067990 0.00002157 -0.00032823
-0.02145251 0.01547136 -0.01088985
12.15304874 6.19496582 4.74130373
-0.00038344 0.00029891 0.00005452
-0.00161641 -0.00509562 -0.00204517
-7.45424931 -11.16574139 -2.23359429
0.00147039 -0.00034284 -0.00083902
-0.01674035 0.01793715 -0.00703377
-9.76056652 -9.43475112 -1.38969857
-0.00017478 0.00095140 -0.00023890
-0.00491802 -0.00108056 0.00448079
4.54962718 -16.61107542 -14.24456991
-0.00073312 0.00042545 0.00050461
-0.00673218 -0.00049437 0.02210404
3.15607754 -16.68861896 -11.58381095
0.00208076 -0.00050735 -0.00122406
0.00889535 -0.02249825 0.02416087
5.85024026 -6.89843759 -6.08484220
0.00004065 0.00066794 0.00052514
-0.01157713 -0.01822168 0.00762644
4.93317632 -8.45465586 -3.83407573
0.00040157 0.00131243 -0.00037856
0.00084229 -0.00268873 0.02232871
16.81940750 1.38728114 24.52089741
-0.00023827 -0.00032675 0.00048780
-0.00203824 0.01766761 0.00008609
19.77916298 2.27092830 25.02068770
0.00081616 0.00002521 -0.00122820
-0.01321302 0.00123606 -0.00333858
-9.77645409 3.23514519 2.31074643
-0.00042975 0.00123235 0.00051265
0.02092312 0.01170200 -0.01596339
-7.68541512 4.82774258 0.79703000
0.00058488 -0.00023958 -0.00002444
0.00145045 0.00322207 0.00790758
-6.45013743 14.52628284 -9.26464787
0.00076180 -0.00068827 0.00085592
-0.02341395 -0.00421992 -0.02079512
-9.26946210 13.83465614 -9.54587123
-0.00043274 -0.00037606 0.00070419
-0.01827111 -0.00718291 0.01171804
0.09007714 10.89723047 -8.27267160
0.00016188 -0.00016959 0.00046269
0.00242650 0.00584675 0.01657298
2.58209890 12.67576946 -7.90911965
0.00077854 0.00029331 0.00065915
-0.01632582 -0.02169590 -0.00164746
-10.39304854 8.93659362 -13.69152925
0.00057655 0.00026785 -0.00032327
0.02799764 -0.01723035 -0.00287867
-12.55038498 9.86886172 -12.20573282
-0.00075380 0.00028131 0.00088667
-0.01522349 0.00029027 0.01520411
7.16406818 6.02656944 15.28697952
0.00027075 0.00086023 0.00065647
0.00344863 0.01924581 -0.02079974
7.19914101 4.06548870 12.86723386
-0.00034811 -0.00022009 0.00024664
0.00665839 0.01882185 0.00287413
-13.97601023 10.84344673 -8.31117453
0.00083629 0.00030866 -0.00035960
-0.00338109 -0.02708870 -0.01002040
-16.30940604 9.84548254 -9.71683531
-0.00009759 0.00074170 -0.00088018
-0.02071742 -0.00040783 -0.00614315
8.66936190 9.84901390 -2.04505650
-0.00054176 0.00034549 -0.00020628
-0.00715127 -0.01476044 -0.01787006
7.01051152 8.55887284 -4.19268448
0.00208058 -0.00086484 -0.00071192
0.01866994 0.00694810 0.02015689
12.17441754 -20.39150704 -26.66087471
-0.00010128 0.00047207 0.00017864
-0.02823624 0.00289252 -0.00782529
13.46711896 -19.72047610 -24.03302454
0.00064071 -0.00026997 0.00051789
-0.00076761 -0.00918619 -0.00483917
5.68290461 4.89339316 2.74881481
-0.00003682 -0.00054211 0.00023013
-0.01848999 -0.05713855 -0.00834965
6.30405389 7.15430396 0.89646435
0.00009916 0.00108393 0.00013522
0.00324918 -0.01530876 0.01543990
20.49155736 -6.53431772 -5.65939089
0.00033624 0.00009065 -0.00011288
0.02427227 -0.01494485 0.01894188
17.87827778 -5.21230221 -5.35433538
0.00019620 -0.00066159 -0.00066359
0.00731145 0.00144256 -0.00593330
-3.04914490 0.14907639 -1.21935990
0.00092884 0.00053827 -0.00032092
0.02813574 0.00380154 -0.02057172
-2.30263041 1.04301086 -4.05962701
-0.00122611 0.00013011 0.00028912
0.00775055 -0.01247621 0.00860126
3.57849151 -3.41249137 -12.09542652
0.00023207 0.00011076 -0.00011393
-0.02319130 0.03450494 -0.00578424
0.76291831 -2.34566373 -11.48641275
-0.00138398 -0.00025110 0.00035101
-0.00423380 -0.01106766 -0.00045358
19.97874157 8.29351689 -6.58481894
-0.00192237 -0.00008913 -0.00040130
-0.01826509 -0.01958545 -0.03068342
21.97404474 8.59081462 -4.70239046
-0.00094675 0.00014240 -0.00043126
0.02768483 -0.00264388 0.01263648
-7.57480187 4.70054546 8.90506227
0.00020794 -0.00007090 -0.00011272
0.00474054 -0.00240705 0.00177794
-7.40228599 6.26301299 11.19305230
-0.00055310 -0.00008234 -0.00079968
-0.00065028 -0.00028326 0.04130940
-2.99085670 -16.38140995 11.67566682
-0.00001411 0.00022052 -0.00089627
-0.01196680 -0.00453548 -0.00057311
-4.12653717 -13.59738040 11.77202557
0.00021910 0.00041028 -0.00019316
-0.02261253 -0.00335023 0.00148193
8.26946726 0.37386772 -3.23201766
0.00052881 0.00077817 0.00012092
0.00530572 -0.00293446 0.05181397
7.72650835 2.09250006 -5.51510347
0.00055035 -0.00095624 0.00021063
-0.00338666 0.01144392 -0.01189777
1.23838126 -10.65368779 1.64204213
0.00002605 -0.00000306 -0.00072360
-0.00286971 0.00265620 0.01168675
0.21162620 -8.28330336 0.14064856
-0.00040719 0.00019472 0.00070338
0.00313000 -0.01182312 0.00200111
-19.94822280 -1.35348620 6.68393200
-0.00053886 0.00032152 0.00008544
-0.00514000 -0.00434646 -0.02329422
-21.00036393 0.20356784 4.30119269
-0.00019039 -0.00066786 0.00067325
0.00974754 -0.01502684 0.00806436
-3.64584622 8.44125855 -25.00251408
-0.00051191 0.00077374 0.00029914
-0.02283241 -0.03425444 0.01755240
-4.39209379 9.09639674 -22.49017579
-0.00000427 -0.00011784 -0.00100809
-0.00919992 -0.02035508 0.01089992
3.67333640 1.01360125 -0.93772163
0.00040423 -0.00006978 0.00010619
0.01917848 -0.02552943 0.00213246
1.03501177 1.67363729 -2.14212099
0.00092216 -0.00186930 0.00064296
0.00523669 -0.00767163 0.00946537
16.07828970 7.47320615 6.37044160
-0.00086247 -0.00018235 -0.00027366
0.00680088 0.00889284 0.02070026
15.79226109 9.07173146 3.94077841
0.00010129 0.00038055 -0.00063024
0.01375210 0.05597139 -0.02035916
-0.35262514 -11.81618444 -13.33119826
0.00001993 0.00000181 0.00024416
0.00909766 -0.00183679 -0.00122269
-13.93523152 14.51780621 22.14834762
-0.00001474 -0.00010877 0.00014735
-0.00022547 -0.00380210 0.00087444
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02650174
0.33643200
448.27877932
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1358788534
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.4425895380 (a.u.)
total exchange computation time: 2.7135999203 s
-154.3260912986
-931.36529649
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1358788534
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4413096203 (a.u.)
total exchange computation time: 2.7112832069 s
-154.3370074805
Anderson extrapolation: theta=1.3531582469 (1.3531582469)
-931.36554881
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1358788534
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4394563479 (a.u.)
total exchange computation time: 2.7148139477 s
-154.3525133526
Anderson extrapolation: theta=0.0538294343 (0.0538294343)
-931.36569947
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1358788534
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4392655790 (a.u.)
total exchange computation time: 2.7146589756 s
-154.3539670161
Anderson extrapolation: theta=1.9774109354 (1.9774109354)
-931.36570525
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1358788534
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.4388687190 (a.u.)
total exchange computation time: 2.7138249874 s
-154.3569575728
Anderson extrapolation: theta=0.2256670914 (0.2256670914)
-931.36571141
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1358788534
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4387787138 (a.u.)
total exchange computation time: 2.7134301662 s
-154.3576099748
Anderson extrapolation: theta=1.8312731436 (1.8312731436)
-931.36571254
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1358788534
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4386415049 (a.u.)
total exchange computation time: 2.7149031162 s
-154.3585744376
Anderson extrapolation: theta=0.2762884478 (0.2762884478)
-931.36571380
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1358788534
ExchangeOperator: bisection time: 1.330 s
total exchange = -52.4386309557 (a.u.)
total exchange computation time: 2.7149059772 s
-154.3586165193
Anderson extrapolation: theta=1.2887850498 (1.2887850498)
-931.36571405
-208.475426 50.667708 -160.477291
-133.802241 460.151985 -799.465996
-342.277667 510.819693 -959.943287
1139.992050
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1358788534
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4386375448 (a.u.)
total exchange computation time: 2.7151491642 s
680.13309822
-1086.18413359
89.56266596
-387.43360850
-175.00509872
79.57929340
551.60419304
0.00000000
-931.36571419
-10.92961621 -4.23577393 6.71270364
-0.00008895 -0.00007353 -0.00002258
0.03967680 -0.01784661 0.02085222
-14.08873547 3.54650199 9.39260106
0.00026041 0.00020906 -0.00019323
0.00613641 -0.01843292 -0.00806162
-15.97750710 1.33152022 3.46459453
0.00017663 0.00018344 -0.00003538
0.03165848 0.02992003 -0.00872205
2.49718079 -19.81697744 12.82067666
0.00016380 -0.00011000 -0.00017501
-0.01042401 -0.01152149 -0.03047044
9.63772095 20.38109233 1.01265410
0.00004993 -0.00002665 0.00041130
-0.03041175 0.01651996 0.01166388
-11.98079647 12.58506181 15.12718859
-0.00032157 -0.00018607 0.00017089
0.00301194 0.01358969 -0.01500071
-6.28026627 1.48650874 -12.27310998
0.00017080 -0.00020750 -0.00027462
-0.00852097 -0.01002398 0.02155513
-7.39744635 7.80055851 -5.92098582
0.00002437 -0.00007910 -0.00012872
-0.01170811 0.01825006 -0.02347966
-7.69422227 -4.36954061 17.81798156
-0.00012096 0.00015262 -0.00017420
0.01326513 -0.00870312 -0.01440550
-23.49479194 -5.02248079 -22.57241370
-0.00014903 -0.00028353 -0.00016508
0.00578721 0.03720507 -0.01699266
6.64553407 12.76549808 6.05455833
0.00000404 -0.00008210 0.00003044
-0.03247947 0.02248423 -0.00941917
24.70134438 30.42887461 -2.89137087
0.00014498 0.00008854 -0.00014571
0.01418296 -0.01548132 -0.01952043
7.91998920 -1.20826896 -14.49741166
-0.00002664 0.00034809 -0.00027882
-0.00625270 0.02062968 0.04723265
-7.28203936 -0.94221856 14.40917670
-0.00019466 0.00005322 0.00007572
0.05020622 0.03187254 -0.05407484
-1.86103475 -26.23323675 11.30838220
0.00038990 0.00003100 -0.00004977
0.00456454 -0.00102706 0.02563769
-14.13652969 -4.57223346 -7.03123497
0.00027601 0.00024967 0.00010934
-0.00819813 -0.00551142 -0.01058935
-19.99158007 -12.55422885 -17.78599757
-0.00008862 -0.00027412 0.00017936
-0.02122763 -0.03340217 -0.02716275
22.72832543 3.62559195 3.01949305
0.00017005 -0.00010022 -0.00013977
-0.01353254 -0.02193201 0.01034476
17.76445668 -10.15807242 -14.34787396
0.00005372 -0.00035237 -0.00003416
0.00381045 -0.00056889 -0.03046011
-2.09012777 1.87363899 -7.07292870
0.00030079 -0.00009123 0.00023493
-0.00935119 -0.00663738 -0.00993592
-4.17882951 -3.04350244 -15.61906336
-0.00015109 0.00002000 0.00004566
-0.00127373 0.00758085 -0.00243497
13.35249794 17.25508106 -20.11954609
-0.00005682 0.00009839 0.00032546
0.01275920 -0.03415671 0.01515990
-16.28992648 16.05603519 -12.10915305
0.00061014 0.00001204 -0.00020358
-0.00336969 0.02858928 0.04125360
1.69028938 14.42966414 7.53802298
0.00056263 0.00063217 0.00000835
0.01134131 -0.01533863 -0.00311816
-5.27523832 -9.62284544 2.14785461
-0.00013754 -0.00025828 0.00035590
-0.00726823 0.01302074 -0.01223066
3.08819792 -6.39115484 2.54121627
0.00011661 -0.00040467 0.00012845
-0.00168261 0.01006898 0.00376940
10.85738863 4.88745176 4.49630516
0.00012121 0.00010715 -0.00027024
0.02035197 -0.00623220 0.01579324
-8.53295074 -9.69200566 -2.71153948
-0.00003596 0.00017496 -0.00031432
0.02035451 -0.01990116 0.00063576
3.16127343 -15.99149505 -13.20611839
0.00002400 0.00005708 0.00011739
-0.01253391 0.03109964 -0.04902706
4.83921492 -8.44419797 -5.61092515
-0.00016644 -0.00002739 0.00038481
0.00953048 0.02889974 -0.03434413
18.55441760 0.89413680 24.74865094
-0.00004740 0.00036308 -0.00020988
0.01342922 -0.02176160 0.00434847
-8.30567563 3.13444048 1.09512177
-0.00051413 -0.00009489 0.00018682
-0.01422722 -0.00819571 0.00815369
-7.81258330 14.21347552 -10.53125369
0.00037155 0.00004637 0.00016922
0.03840948 0.00902104 0.01495681
1.69333817 11.38075910 -8.96497732
0.00001840 0.00000654 -0.00002986
0.01800359 0.01819614 -0.01282190
-11.78482514 10.02749743 -13.84491416
0.00029121 0.00023048 -0.00022334
-0.01743916 0.01222144 -0.00052805
7.13278872 4.34661101 14.68600705
-0.00045523 0.00027323 -0.00009751
-0.00530419 -0.02944451 0.01662140
-14.68204358 9.28256646 -9.21894975
-0.00027081 -0.00040984 0.00045517
0.01564014 0.02444948 0.01140198
8.51399677 8.30626320 -3.10769615
-0.00021589 -0.00017861 -0.00012362
-0.00360375 0.01364814 0.01091779
13.70492614 -20.41138918 -25.76994801
0.00016513 -0.00013499 -0.00023803
0.02676373 0.00229776 0.00994627
6.31643881 6.51258233 2.63847854
-0.00013439 0.00028831 -0.00027351
0.00775512 0.06272332 -0.00772529
19.17635538 -5.77270755 -6.55988246
-0.00035897 0.00005290 -0.00024583
-0.02959720 0.00935733 -0.00636512
-1.69737623 0.03998024 -2.57160584
0.00009260 -0.00018228 -0.00025542
-0.02928342 0.00899302 0.01410072
2.36607363 -1.88739310 -12.28266948
0.00002344 0.00011286 0.00035354
0.03245117 -0.02636881 0.00289416
20.43795230 9.35934370 -5.25796916
-0.00043247 0.00003811 0.00001849
-0.02096719 0.02015801 0.00559175
-7.47799691 6.45925802 9.45311759
-0.00008568 -0.00008440 0.00016024
-0.01363597 0.00042830 -0.04487093
-2.67433530 -14.60922842 11.52729215
0.00015855 -0.00000072 -0.00023149
0.03487219 0.01074599 0.00316346
8.13091492 0.39018829 -4.96352186
-0.00006192 -0.00017969 -0.00004784
0.00179862 -0.02678024 -0.03200805
-0.04894396 -10.09646719 0.46498275
-0.00012725 -0.00029726 -0.00020143
-0.00967957 0.00758209 -0.01805479
-20.11731370 -1.38858034 4.76224647
-0.00022724 0.00037815 -0.00002395
-0.00563693 0.01181151 0.01779191
-4.67515325 7.57735584 -23.53628787
0.00020782 0.00007357 -0.00022199
0.03021173 0.05211980 -0.02369622
2.57635084 2.34603983 -1.28979980
-0.00005227 -0.00002515 0.00040742
-0.02005334 0.02762301 -0.00801377
15.53098914 7.52769764 4.67153678
0.00001136 -0.00033202 -0.00002493
-0.02397466 -0.05181360 -0.01534002
-9.29916843 -4.76622173 7.49267884
-0.00047347 0.00042190 0.00028491
-0.02905361 0.00487142 -0.00257853
-10.37134385 -3.72839484 5.06618934
0.00075245 -0.00003208 -0.00004493
0.00260405 -0.00243652 -0.01871823
-12.88308277 4.69484931 8.69305382
0.00035046 0.00036209 -0.00069097
0.00590502 0.01362893 0.00025557
-13.48760826 1.93630115 8.62141869
-0.00040943 -0.00072137 -0.00022889
-0.01160341 0.01174767 0.00711047
-15.07766394 1.64126901 5.03106218
-0.00154662 0.00109170 -0.00051582
0.00449758 -0.00126591 -0.00286251
-17.13407286 0.11107967 4.02637702
-0.00045360 0.00020514 0.00021844
-0.03609064 -0.02829854 0.00906803
2.96851359 -21.25189024 11.68699476
0.00072379 0.00051198 0.00062506
-0.01093613 0.01172201 0.00926038
3.52479479 -19.99744348 14.25770164
0.00082894 0.00059126 0.00089045
0.01890137 0.00265932 0.02119213
8.52578977 18.94066518 1.12405196
-0.00006986 -0.00005400 0.00060197
0.00929872 -0.02107171 -0.01191122
8.43990542 21.49890249 1.93446443
0.00001371 -0.00042710 -0.00000591
0.01745735 0.01221204 -0.00535087
-10.87401732 11.94207638 16.38123126
-0.00086110 -0.00099964 -0.00010132
0.01404236 -0.00741531 0.01756891
-12.55355079 14.17302744 15.79600255
-0.00028191 0.00055165 0.00011256
-0.00385134 0.00966436 0.00025986
-5.41875386 0.20017598 -13.26614228
0.00039520 0.00035695 0.00043128
-0.00654406 0.00188541 0.00808955
-6.80110686 0.73095150 -10.55284165
0.00033181 -0.00003004 -0.00139874
0.01467091 0.00625345 -0.02918301
-6.81909438 6.42063833 -4.97266169
-0.00012442 -0.00013336 -0.00027357
0.01256406 -0.02307135 0.01680254
-9.14733313 7.87054506 -5.44267967
-0.00035796 0.00049481 0.00022194
-0.00548200 0.00142186 -0.00156946
-8.50206135 -3.38687397 19.05695033
0.00030850 0.00090397 0.00066803
-0.00968991 0.02187576 0.01471329
-7.77283230 -6.00901771 18.53171753
-0.00034537 -0.00022005 -0.00009193
-0.00379331 -0.02692279 0.00718730
-23.20162112 -3.30198998 -23.34748925
-0.00028991 -0.00039625 -0.00017840
-0.01030483 -0.02934892 0.00019209
-23.09284696 -4.61217869 -20.85885914
0.00045641 -0.00107884 -0.00034740
-0.00422926 -0.00454861 0.01099698
6.61861309 13.31979692 4.29350635
-0.00001132 0.00016404 -0.00032319
0.01377181 -0.00798500 0.00902457
8.06830440 11.76195464 6.48056460
-0.00017338 0.00065328 0.00029474
0.02311404 -0.01360126 -0.00310580
24.72906452 28.74318181 -2.20776108
0.00058691 0.00061267 -0.00065341
-0.00205387 -0.00006880 0.00452199
23.97576797 31.56389540 -1.71032194
0.00027263 0.00054004 0.00029612
-0.01125423 0.01345930 0.01935239
9.44286923 -2.26742229 -14.81133926
-0.00001902 0.00011181 -0.00116218
-0.00388478 -0.00225578 0.00680578
7.84007724 -1.02558968 -12.59775045
0.00072882 -0.00139653 0.00006955
-0.00118516 -0.01296490 -0.04090301
-7.37670465 -0.09356661 15.96765054
-0.00042181 0.00015120 -0.00044557
-0.01497153 0.00278923 0.03008941
-8.42938227 -2.17463071 13.95690184
-0.00100935 -0.00005470 -0.00034424
-0.03201254 -0.02780620 0.01240508
-2.64833519 -26.66675579 13.00574276
-0.00045971 0.00010119 -0.00031799
0.01276308 0.00132623 -0.02046126
-3.13209248 -25.90067718 10.08515135
-0.00047116 0.00008012 0.00028229
-0.01296146 0.00121267 -0.01277662
-14.32450671 -2.89909144 -6.30401662
-0.00126362 0.00001345 0.00028612
0.00212016 0.00762520 0.00252961
-14.93445468 -4.54149482 -8.69396027
0.00043339 -0.00027777 0.00003670
0.00569230 -0.00168526 0.00235990
-19.25975290 -11.27730921 -16.79320657
-0.00022476 0.00138869 0.00028953
0.02840612 0.01358289 0.01251558
-18.73161255 -13.80070515 -18.38691012
0.00099575 0.00052615 0.00001117
0.00189191 0.02000306 0.01457751
23.60551108 3.14725889 1.40205884
0.00122741 -0.00002401 0.00070636
0.00247485 0.02617931 0.00792931
22.86422164 5.18995354 3.94946813
-0.00030299 -0.00014149 0.00027823
0.01008384 -0.00114442 -0.01562799
16.28684220 -9.90726057 -13.36223234
-0.00116581 -0.00044286 0.00045333
-0.01592018 0.00648479 0.01864907
17.14401239 -9.81125838 -16.07616841
-0.00105691 -0.00066981 -0.00044338
0.01270268 -0.00127710 0.01183486
-0.59816671 2.32501598 -8.02299144
-0.00007640 -0.00071766 -0.00009031
0.01586464 0.00904116 -0.00040789
-2.27893389 0.17141369 -7.71511492
0.00048144 -0.00104237 0.00126298
-0.01166352 -0.00043508 0.00231150
-5.66129463 -3.35490628 -16.62992635
-0.00036584 -0.00111751 -0.00066986
-0.00102372 -0.00554961 -0.00066230
-3.33673754 -1.78129037 -16.65924545
-0.00086638 0.00048066 0.00021163
0.00103640 0.00163918 -0.00132783
12.89107172 18.82441675 -20.86322016
-0.00025606 0.00062724 0.00080939
-0.01780339 0.00762795 -0.00885717
11.89390363 16.06563138 -20.12506518
0.00026009 -0.00003954 0.00038063
0.01106176 0.02303497 -0.00894721
-15.36597883 15.57646197 -13.53981726
-0.00043252 0.00080749 0.00052929
0.02384135 -0.00897576 -0.03059809
-17.80933155 15.15200310 -12.39249450
-0.00003643 -0.00013755 0.00087548
-0.02137374 -0.01843367 -0.00136760
2.76994751 15.07604461 6.17168440
0.00012577 -0.00072674 -0.00086550
-0.01375580 0.00005967 0.00529158
0.67462430 15.72388371 8.26666761
0.00058150 -0.00099877 -0.00013888
-0.00901424 0.01315954 -0.00199663
-6.18825802 -8.32510903 1.14907687
0.00019308 0.00119344 -0.00090889
0.01072595 -0.01279387 0.01676881
-3.50636144 -9.40200137 1.66122479
-0.00040466 -0.00075051 0.00000915
0.00184893 -0.00422987 0.00112227
2.37845391 -4.70047828 2.83274810
-0.00117335 0.00132931 0.00065406
0.01633431 -0.00711022 -0.00144094
4.48903414 -6.29473951 1.33176315
0.00001850 -0.00122329 0.00007522
-0.00362673 0.00202888 0.00682006
9.27387100 5.71727233 4.31265312
-0.00075665 0.00007928 -0.00037165
-0.01611929 0.01277693 -0.01036589
12.14724754 6.19929338 4.74205892
-0.00038835 0.00027994 0.00004633
-0.00078269 -0.00419424 -0.00196728
-7.43270639 -11.17033441 -2.24639507
0.00139177 -0.00025918 -0.00086854
-0.02174389 0.02301547 -0.00741855
-9.76333890 -9.42051322 -1.39314475
-0.00019078 0.00094408 -0.00022248
-0.00291598 -0.00250544 0.00355513
4.53842403 -16.60470878 -14.23632338
-0.00074985 0.00042026 0.00058363
-0.00145614 -0.00204803 0.01657643
3.18756151 -16.69691865 -11.60143154
0.00211513 -0.00060521 -0.00110723
0.00792972 -0.02540367 0.03303171
5.85049527 -6.88897690 -6.07673144
-0.00001000 0.00058806 0.00055492
-0.01321869 -0.02087836 0.00695455
4.93922564 -8.43505182 -3.83906996
0.00040431 0.00129948 -0.00027324
0.00050167 -0.00365055 0.02922809
16.81577096 1.38292131 24.52821712
-0.00024692 -0.00025298 0.00048776
-0.00219557 0.01844340 -0.00010979
19.79100053 2.27134438 25.00216243
0.00075998 0.00003016 -0.00124124
-0.01428646 0.00118317 -0.00304501
-9.78225926 3.25398896 2.31794703
-0.00034420 0.00127903 0.00044689
0.02095701 0.01115149 -0.01622576
-7.67659746 4.82424759 0.79690570
0.00058946 -0.00023038 0.00000840
0.00079293 0.00128050 0.00816990
-6.43942787 14.51582944 -9.25244626
0.00066121 -0.00070609 0.00076639
-0.02582604 -0.00450356 -0.02302989
-9.27651311 13.82879515 -9.53494923
-0.00049262 -0.00040161 0.00074238
-0.01103888 -0.00532375 0.00697361
0.09257974 10.89486583 -8.26522339
0.00017321 -0.00014559 0.00052990
0.00311835 0.00589969 0.01632753
2.59327676 12.67950430 -7.89928293
0.00070676 0.00019755 0.00064687
-0.01881365 -0.02517960 -0.00436280
-10.38354236 8.94008341 -13.69646646
0.00068625 0.00020019 -0.00033355
0.02570111 -0.01589243 -0.00215311
-12.56215849 9.87309028 -12.19196683
-0.00080460 0.00028264 0.00092814
-0.00964156 0.00036080 0.00509404
7.16823514 6.04006272 15.29618920
0.00028441 0.00092458 0.00056475
0.00323765 0.01225088 -0.02409680
7.19412337 4.06276411 12.87102152
-0.00032035 -0.00014196 0.00025418
0.00693003 0.01942205 0.00081508
-13.96356954 10.84724655 -8.31687564
0.00081949 0.00019434 -0.00040153
-0.00484210 -0.02887171 -0.01050253
-16.31150475 9.85659558 -9.73022630
-0.00017264 0.00073682 -0.00090179
-0.01601774 -0.00198356 -0.00443126
8.66101632 9.85374397 -2.04869826
-0.00057132 0.00028144 -0.00028195
-0.00731742 -0.01659561 -0.01917406
7.04229227 8.54611312 -4.20274558
0.00213801 -0.00083252 -0.00064189
0.00944552 0.00887291 0.01411980
12.17203311 -20.38433741 -26.65843496
-0.00021499 0.00048404 0.00014756
-0.02742701 0.00297044 -0.00738470
13.47670604 -19.72480718 -24.02540446
0.00063763 -0.00030949 0.00049247
-0.00074011 -0.01015576 -0.00760644
5.68178576 4.88351055 2.75201090
-0.00010598 -0.00075869 0.00019323
-0.01536545 -0.04887584 -0.00971400
6.30564088 7.17009377 0.89896571
0.00011160 0.00101994 0.00019592
0.00283889 -0.01601251 0.01427387
20.49734469 -6.53341597 -5.66050371
0.00042624 0.00003502 -0.00004209
0.01978426 -0.01228305 0.01571015
17.88144483 -5.22218190 -5.36447110
0.00021723 -0.00065171 -0.00067964
0.00298374 0.00339351 -0.00192126
-3.03435014 0.15726686 -1.22480414
0.00103846 0.00055249 -0.00039837
0.02552640 0.00316160 -0.01733674
-2.32078451 1.04458027 -4.05502667
-0.00119082 0.00007837 0.00032487
0.00951999 -0.01285431 0.00889956
3.58126198 -3.40977267 -12.09731270
0.00013563 0.00025199 -0.00013698
-0.02402037 0.03462754 -0.00549716
0.74202882 -2.34976941 -11.48116150
-0.00138592 -0.00029324 0.00034231
0.00328832 -0.00955941 -0.00380715
19.94934632 8.29157982 -6.59177864
-0.00199119 -0.00015945 -0.00051327
-0.01542348 -0.01483621 -0.02412593
21.96069191 8.59286968 -4.70847217
-0.00082608 0.00012638 -0.00037789
0.03138319 -0.00520273 0.01349049
-7.57153756 4.69940822 8.90342590
0.00022718 -0.00007955 -0.00010534
0.00468151 -0.00182653 0.00183652
-7.41060243 6.26176919 11.18232295
-0.00055520 -0.00008529 -0.00061226
-0.00037571 -0.00115894 0.05043203
-2.99143499 -16.37824112 11.66220521
-0.00006391 0.00019830 -0.00089830
-0.01241222 -0.00634333 -0.00042046
-4.12394364 -13.59132890 11.76917353
0.00012971 0.00039403 -0.00018805
-0.02114310 -0.00460542 0.00102215
8.27756204 0.38545031 -3.22861607
0.00055064 0.00076593 0.00032614
0.00537724 -0.00305649 0.04863979
7.73465979 2.07850709 -5.51230863
0.00053326 -0.00089721 0.00015736
-0.00497799 0.01745307 -0.01417687
1.23868412 -10.65365224 1.63154626
0.00001725 0.00000555 -0.00067248
-0.00144024 0.00155719 0.01333807
0.20561426 -8.28074491 0.15126052
-0.00039509 0.00014274 0.00071092
0.00279164 -0.01361915 0.00169340
-19.95646328 -1.34879665 6.68449983
-0.00055892 0.00030251 -0.00000885
-0.00467574 -0.00495702 -0.02286020
-21.00292116 0.19308947 4.31153854
-0.00015747 -0.00071742 0.00070123
0.00637001 -0.00923466 0.00563409
-3.65422453 8.45181504 -24.99748917
-0.00060190 0.00063298 0.00036554
-0.02121959 -0.03465243 0.01495124
-4.39243975 9.09400546 -22.50496312
-0.00004110 -0.00019438 -0.00095578
-0.00883003 -0.01711201 0.01470530
3.67998753 1.01177224 -0.93606343
0.00048089 -0.00016831 0.00011452
0.01834489 -0.02270193 0.00194544
1.04900471 1.64536278 -2.13218648
0.00093899 -0.00189795 0.00067938
0.00299956 -0.00635752 0.00835888
16.06556105 7.47074338 6.36697095
-0.00083168 -0.00014539 -0.00018105
0.00827274 0.00919883 0.02463737
15.79420186 9.07915483 3.93070091
0.00015416 0.00058917 -0.00070361
0.01212651 0.04615218 -0.01555473
-0.35230175 -11.81616219 -13.32753910
0.00002321 0.00000115 0.00024371
0.00920558 -0.00187106 -0.00132737
-13.93545302 14.51616807 22.15055947
-0.00001479 -0.00010966 0.00014755
-0.00023876 -0.00384211 0.00078816
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02652395
0.33919024
451.95398358
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1366143862
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4296277110 (a.u.)
total exchange computation time: 2.7338311672 s
-154.2762076732
-931.36657301
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1366143862
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4284851393 (a.u.)
total exchange computation time: 2.7343709469 s
-154.2859518738
Anderson extrapolation: theta=1.3545159199 (1.3545159199)
-931.36681023
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1366143862
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4267952667 (a.u.)
total exchange computation time: 2.7346560955 s
-154.3000006276
Anderson extrapolation: theta=0.0538535561 (0.0538535561)
-931.36695209
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1366143862
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4265949108 (a.u.)
total exchange computation time: 2.7332718372 s
-154.3014701602
Anderson extrapolation: theta=1.9748419540 (1.9748419540)
-931.36695753
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1366143862
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.4261683871 (a.u.)
total exchange computation time: 2.7325620651 s
-154.3045428598
Anderson extrapolation: theta=0.2293907296 (0.2293907296)
-931.36696334
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1366143862
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4260621381 (a.u.)
total exchange computation time: 2.7369329929 s
-154.3052631360
Anderson extrapolation: theta=1.8746306181 (1.8746306181)
-931.36696444
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1366143862
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4258893208 (a.u.)
total exchange computation time: 2.7325191498 s
-154.3063868675
Anderson extrapolation: theta=0.2912127183 (0.2912127183)
-931.36696568
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1366143862
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4258670013 (a.u.)
total exchange computation time: 2.7353000641 s
-154.3064836039
Anderson extrapolation: theta=1.3096109323 (1.3096109323)
-931.36696595
-208.512427 50.686340 -160.426522
-133.807300 460.178585 -799.491440
-342.319727 510.864925 -959.917962
1140.003623
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1366143862
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4258604412 (a.u.)
total exchange computation time: 2.7337079048 s
679.93236240
-1085.75071123
89.57746121
-387.72897434
-174.97124370
79.34200654
551.60419304
0.00000000
-931.36696610
-10.93079738 -4.23694576 6.71244535
-0.00006890 -0.00008229 -0.00001275
0.03829916 -0.01620259 0.01737931
-14.08480571 3.54956671 9.38967155
0.00026411 0.00019941 -0.00019787
0.00827199 -0.01906348 -0.00999011
-15.97473560 1.33438717 3.46403019
0.00019086 0.00019756 -0.00004120
0.02369136 0.02499394 -0.01390722
2.49959759 -19.81867186 12.81793399
0.00015980 -0.00011521 -0.00018758
-0.00513511 -0.00874762 -0.01841074
9.63835262 20.38075635 1.01886866
0.00003446 -0.00001880 0.00041698
-0.02973800 0.01400058 0.01039117
-11.98560837 12.58232321 15.12969413
-0.00032070 -0.00017794 0.00016313
0.00037786 0.01801840 -0.01518194
-6.27773713 1.48335754 -12.27714621
0.00016620 -0.00021139 -0.00026402
-0.00937195 -0.00511504 0.01969482
-7.39712596 7.79944242 -5.92300726
0.00001741 -0.00006954 -0.00014059
-0.01534740 0.01891213 -0.02264358
-7.69598551 -4.36728492 17.81531293
-0.00011508 0.00014840 -0.00017992
0.00959808 -0.00768151 -0.00782061
-23.49700513 -5.02659029 -22.57495551
-0.00014623 -0.00026482 -0.00017413
0.00513360 0.03558294 -0.01819679
6.64546932 12.76435325 6.05497858
-0.00001354 -0.00006980 0.00002468
-0.03585384 0.02536262 -0.01298132
24.70357380 30.43014295 -2.89363176
0.00015172 0.00008274 -0.00015550
0.01204172 -0.00706378 -0.01857414
7.91956547 -1.20296799 -14.50141171
-0.00002940 0.00035825 -0.00025443
-0.00446765 0.01885249 0.04759235
-7.28476555 -0.94129737 14.41010384
-0.00017008 0.00006761 0.00004663
0.04536882 0.02410205 -0.05901735
-1.85516860 -26.23277575 11.30773459
0.00039119 0.00003062 -0.00003715
0.00042394 -0.00044400 0.02342472
-14.13242108 -4.56850972 -7.02963564
0.00027175 0.00024680 0.00010401
-0.00839453 -0.00564499 -0.01015183
-19.99299118 -12.55846952 -17.78341200
-0.00009807 -0.00028940 0.00016694
-0.01554552 -0.02602789 -0.02113750
22.73082404 3.62400404 3.01743643
0.00016291 -0.00011115 -0.00013398
-0.01425076 -0.02057501 0.01215271
17.76527718 -10.16336014 -14.34850384
0.00005292 -0.00035210 -0.00004926
-0.00690286 0.00162984 -0.02826854
-2.08565195 1.87224490 -7.06944313
0.00029542 -0.00009576 0.00022969
-0.01152550 -0.01094852 -0.01044630
-4.18110070 -3.04317313 -15.61838785
-0.00015308 0.00002346 0.00004369
-0.00648459 0.00584179 -0.00520941
13.35169488 17.25642513 -20.11460569
-0.00005008 0.00008167 0.00033296
0.01342825 -0.03084550 0.01400255
-16.28078741 16.05632612 -12.11204755
0.00060592 0.00002700 -0.00017986
-0.01302366 0.02957603 0.05096892
1.69877257 14.43908755 7.53813614
0.00056986 0.00062185 0.00000591
0.01679606 -0.02481578 -0.00635188
-5.27732939 -9.62666939 2.15314591
-0.00014270 -0.00024989 0.00034830
-0.01282226 0.01960402 -0.01730059
3.08994063 -6.39718598 2.54315750
0.00011402 -0.00039664 0.00013125
-0.00838948 0.02114725 0.00714517
10.85928532 4.88903494 4.49231241
0.00012989 0.00010449 -0.00026230
0.01340041 -0.00411126 0.01508365
-8.53341156 -9.68945803 -2.71625185
-0.00002495 0.00016400 -0.00031368
0.02243813 -0.02273328 0.00184910
3.16158514 -15.99051887 -13.20454660
0.00001627 0.00007411 0.00009195
-0.01754634 0.03513455 -0.04991642
4.83675502 -8.44449736 -5.60528548
-0.00016111 -0.00001176 0.00036585
0.01122575 0.03187112 -0.03936642
18.55375838 0.89949912 24.74551944
-0.00004024 0.00035177 -0.00020765
0.01443402 -0.02224113 0.00435441
-8.31344251 3.13298558 1.09795553
-0.00052110 -0.00009847 0.00019083
-0.01287777 -0.00575082 0.00742233
-7.80686195 14.21420593 -10.52865777
0.00038984 0.00005052 0.00017854
0.03274433 0.00710059 0.02132291
1.69368367 11.38092744 -8.96547465
0.00002797 0.00001664 -0.00003573
0.01920986 0.02104937 -0.01000727
-11.78052420 10.03100170 -13.84826625
0.00028165 0.00023620 -0.00022127
-0.01974745 0.01004621 0.00855944
7.12593977 4.35059592 14.68460848
-0.00045797 0.00025962 -0.00008764
-0.00533335 -0.02350296 0.02178040
-14.68604538 9.27651311 -9.21207825
-0.00026372 -0.00039640 0.00046059
0.01192462 0.02784107 0.00968277
8.51074457 8.30363671 -3.10950838
-0.00021512 -0.00017169 -0.00011593
0.00658105 0.01325882 0.01898235
13.70750634 -20.41340516 -25.77348015
0.00017841 -0.00013354 -0.00023240
0.02489013 0.00332988 0.01194221
6.31445294 6.51714889 2.63434609
-0.00013124 0.00031807 -0.00027664
0.00446784 0.05303235 -0.00445095
19.17085671 -5.77187793 -6.56359451
-0.00037165 0.00005639 -0.00024926
-0.01973514 0.00419651 -0.00697720
-1.69610022 0.03728076 -2.57538268
0.00007803 -0.00017755 -0.00024902
-0.02737497 0.00940212 0.01078043
2.36655037 -1.88580187 -12.27735518
0.00003836 0.00009904 0.00035555
0.02557110 -0.02738849 0.00491121
20.43138445 9.35999308 -5.25767017
-0.00044474 0.00004773 0.00001937
-0.02674745 0.01726869 -0.00217522
-7.47933478 6.45799362 9.45534808
-0.00009270 -0.00008415 0.00013531
-0.01363883 0.00056086 -0.05207878
-2.67182257 -14.60919784 11.52383205
0.00017601 0.00000557 -0.00022973
0.03303690 0.01372680 0.00366209
8.12999306 0.38738964 -4.96436298
-0.00006064 -0.00019482 -0.00006234
0.00316708 -0.03205535 -0.02436947
-0.05089006 -10.10089685 0.46189160
-0.00013245 -0.00029275 -0.00021102
-0.01054820 0.00996718 -0.01921585
-20.12074410 -1.38286256 4.76195585
-0.00022923 0.00038260 -0.00001432
-0.00210407 0.00548509 0.01965384
-4.67191948 7.57866045 -23.53970907
0.00022273 0.00009939 -0.00023435
0.02779923 0.04826525 -0.02437164
2.57548946 2.34576919 -1.28371936
-0.00006153 -0.00001222 0.00040358
-0.01596782 0.02262695 -0.00693664
15.53106704 7.52251752 4.67110365
-0.00000074 -0.00035583 -0.00003504
-0.02305576 -0.04077842 -0.02397116
-9.30716072 -4.75974402 7.49687353
-0.00058754 0.00044001 0.00027717
-0.02678412 0.00399693 -0.00121284
-10.35997732 -3.72895076 5.06494184
0.00076106 -0.00004360 -0.00011698
0.00161110 -0.00320006 -0.01655185
-12.87764492 4.70069830 8.68269706
0.00037067 0.00041222 -0.00068795
0.00398780 0.01091091 0.00122269
-13.49410531 1.92584059 8.61820325
-0.00045790 -0.00066704 -0.00019805
-0.01212219 0.01484652 0.00798428
-15.10072536 1.65760568 5.02323716
-0.00151880 0.00108980 -0.00051291
0.00911939 0.00033813 0.00428689
-17.14198284 0.11328966 4.02993154
-0.00059462 0.00009661 0.00025163
-0.03293670 -0.02482930 0.00717868
2.97903539 -21.24385141 11.69665448
0.00068137 0.00055183 0.00065690
-0.00982946 0.00778522 0.00632318
3.53780803 -19.98849308 14.27170777
0.00089306 0.00060470 0.00095850
0.01248762 0.00391887 0.01211813
8.52502678 18.93920946 1.13271644
-0.00003033 -0.00013919 0.00055288
0.01005025 -0.02062784 -0.01211508
8.44064606 21.49287023 1.93421187
0.00008240 -0.00037300 -0.00002476
0.01616358 0.01426747 -0.00387915
-10.88650356 11.92685457 16.38024983
-0.00080203 -0.00103025 -0.00002658
0.01487511 -0.00756983 0.01901787
-12.55789750 14.18159827 15.79769899
-0.00029385 0.00058209 0.00011095
-0.00199394 0.00524073 -0.00104874
-5.41302645 0.20558796 -13.25942524
0.00037324 0.00035795 0.00045796
-0.00420222 -0.00139517 0.00497386
-6.79568009 0.73069255 -10.57471699
0.00038859 -0.00000732 -0.00150800
0.01312153 0.00486718 -0.02430051
-6.82057568 6.41793099 -4.97625029
-0.00007369 -0.00022810 -0.00020472
0.01226701 -0.02330384 0.01689742
-9.15287052 7.87801079 -5.43939865
-0.00037231 0.00049964 0.00021384
-0.00154263 0.00094349 -0.00239767
-8.49773084 -3.37264409 19.06742167
0.00027640 0.00098362 0.00071720
-0.00601911 0.01711430 0.00935400
-7.77812911 -6.01314345 18.53055877
-0.00036098 -0.00032257 -0.00006496
-0.00384958 -0.02326136 0.00601456
-23.20628549 -3.30883300 -23.35015930
-0.00033172 -0.00051420 -0.00017747
-0.01016153 -0.02839279 0.00025965
-23.08613034 -4.62850063 -20.86373315
0.00043982 -0.00109598 -0.00030003
-0.00389214 -0.00384142 0.01219177
6.61886524 13.32201288 4.28893507
0.00004550 0.00012951 -0.00028078
0.01404441 -0.00891976 0.01173428
8.06641204 11.77133705 6.48489046
-0.00007269 0.00059355 0.00028334
0.02617292 -0.01563590 -0.00247066
24.73780530 28.75236974 -2.21742362
0.00057826 0.00060261 -0.00063032
-0.00218151 -0.00485629 0.00677790
23.97951257 31.57240840 -1.70528712
0.00023071 0.00058776 0.00036822
-0.00926631 0.00990201 0.01593909
9.44246493 -2.26581419 -14.82856336
-0.00003746 0.00010455 -0.00113396
-0.00514251 -0.00130034 0.00700493
7.85097319 -1.04693496 -12.59796065
0.00072303 -0.00144798 -0.00009832
-0.00164623 -0.01222128 -0.04126941
-7.38349057 -0.09121314 15.96188909
-0.00048383 0.00016559 -0.00031728
-0.01539025 0.00425306 0.03270868
-8.44550346 -2.17630322 13.95211834
-0.00112922 -0.00015588 -0.00028927
-0.02666694 -0.02172541 0.01450649
-2.65483971 -26.66519724 13.00034587
-0.00040532 0.00010663 -0.00040060
0.01386081 0.00133585 -0.01997328
-3.13955704 -25.89943817 10.08899419
-0.00051779 0.00008404 0.00023350
-0.00986429 0.00070442 -0.01110466
-14.34339597 -2.89865608 -6.29964735
-0.00125419 0.00004418 0.00029613
0.00249522 0.00741817 0.00236955
-14.92777945 -4.54571295 -8.69333738
0.00045623 -0.00028452 0.00004581
0.00548796 -0.00161894 0.00209509
-19.26225377 -11.25606263 -16.78848010
-0.00011836 0.00142766 0.00032766
0.02367641 0.00549121 0.00615104
-18.71661834 -13.79219997 -18.38629582
0.00100130 0.00060890 0.00007155
0.00082760 0.02050459 0.01497680
23.62399812 3.14770088 1.41289717
0.00123773 0.00008221 0.00073598
0.00257725 0.02581600 0.00656969
22.85998583 5.18779618 3.95316263
-0.00026150 -0.00014772 0.00021347
0.01022436 -0.00190753 -0.01606812
16.26886715 -9.91370478 -13.35486087
-0.00121255 -0.00041926 0.00051805
-0.00695733 0.00506990 0.01303116
17.12854802 -9.82134461 -16.08245641
-0.00100128 -0.00067631 -0.00038770
0.01452615 -0.00190472 0.01542156
-0.59882658 2.31452813 -8.02435861
-0.00000831 -0.00067927 -0.00009413
0.01746625 0.00975297 -0.00146363
-2.27206970 0.15576475 -7.69609932
0.00043470 -0.00103652 0.00127492
-0.01121739 0.00329940 0.00353263
-5.66681360 -3.37183898 -16.63999454
-0.00035987 -0.00113786 -0.00066590
0.00394776 -0.00441120 0.00259933
-3.34970146 -1.77403028 -16.65611169
-0.00086151 0.00048851 0.00020498
0.00134783 0.00220554 -0.00192789
12.88668522 18.83405901 -20.85135067
-0.00032768 0.00065301 0.00077537
-0.01725545 0.00498977 -0.00779662
11.89814392 16.06574418 -20.11962986
0.00030299 0.00005330 0.00034410
0.00994086 0.02240865 -0.00893562
-15.37173611 15.58829923 -13.53281557
-0.00032338 0.00076418 0.00038428
0.02958676 -0.01222566 -0.04038198
-17.81053290 15.14937493 -12.37940426
-0.00011519 -0.00020802 0.00087014
-0.01718156 -0.01606058 -0.00124216
2.77141249 15.06514538 6.15886405
0.00006969 -0.00072344 -0.00084392
-0.01369619 0.00155190 0.00527321
0.68307052 15.70930546 8.26452318
0.00053335 -0.00092855 -0.00014019
-0.01455410 0.02121175 0.00135854
-6.18503320 -8.30759940 1.13595739
0.00024427 0.00112790 -0.00082994
0.01433414 -0.01929135 0.02187937
-3.51237472 -9.41338867 1.66139638
-0.00039344 -0.00076795 0.00001370
0.00364259 -0.00430724 0.00110448
2.36135419 -4.68075657 2.84251490
-0.00109388 0.00127578 0.00064304
0.02256642 -0.01909006 -0.00395670
4.48920043 -6.31302672 1.33310046
0.00000455 -0.00121243 0.00010187
-0.00320044 0.00328880 0.00622685
9.26202728 5.71885302 4.30676072
-0.00081061 0.00012556 -0.00041285
-0.01029285 0.00987731 -0.00980002
12.14139838 6.20336389 4.74269355
-0.00038968 0.00026487 0.00003852
0.00013034 -0.00317912 -0.00185341
-7.41249607 -11.17351691 -2.25965050
0.00129408 -0.00015666 -0.00089905
-0.02608075 0.02717093 -0.00751459
-9.76628999 -9.40642886 -1.39637306
-0.00019845 0.00093096 -0.00021017
-0.00083783 -0.00391421 0.00247360
4.52713164 -16.59846765 -14.22706095
-0.00074389 0.00040833 0.00063882
0.00437659 -0.00379055 0.01044027
3.21953146 -16.70677524 -11.61702774
0.00214582 -0.00071348 -0.00095788
0.00709233 -0.02759612 0.04007448
5.84994016 -6.88079576 -6.06819446
-0.00006656 0.00049855 0.00058154
-0.01446663 -0.02293680 0.00607438
4.94530569 -8.41567151 -3.84227291
0.00040570 0.00128287 -0.00014223
0.00017656 -0.00448083 0.03490406
16.81199986 1.37969180 24.53553010
-0.00025562 -0.00017640 0.00048695
-0.00206023 0.01904451 -0.00028606
19.80196252 2.27183298 24.98345055
0.00069967 0.00003496 -0.00125299
-0.01523818 0.00116896 -0.00270793
-9.78678006 3.27351616 2.32415322
-0.00025938 0.00132333 0.00038077
0.02056337 0.01053459 -0.01614382
-7.66773121 4.82083106 0.79728210
0.00059128 -0.00022932 0.00004227
0.00009739 -0.00075859 0.00841017
-6.43030109 14.50510003 -9.24165606
0.00055230 -0.00072466 0.00066908
-0.02748789 -0.00458614 -0.02460591
-9.28424065 13.82260788 -9.52359985
-0.00052293 -0.00041950 0.00076112
-0.00379964 -0.00343621 0.00219938
0.09527344 10.89286275 -8.25677453
0.00018760 -0.00012143 0.00059587
0.00392599 0.00592702 0.01596268
2.60330160 12.68169597 -7.88971358
0.00062576 0.00008893 0.00062430
-0.02083642 -0.02799204 -0.00668370
-10.37246106 8.94259921 -13.70153562
0.00078472 0.00013934 -0.00034096
0.02250168 -0.01389039 -0.00147795
-12.57452289 9.87734094 -12.17788866
-0.00083308 0.00028401 0.00092961
-0.00430184 0.00030741 -0.00437547
7.17260051 6.05430680 15.30392208
0.00029702 0.00096051 0.00045980
0.00293530 0.00533848 -0.02727783
7.18953044 4.06122983 12.87485914
-0.00029145 -0.00006178 0.00025310
0.00721992 0.01982699 -0.00134215
-13.95142561 10.84927694 -8.32322041
0.00079705 0.00007384 -0.00044479
-0.00614310 -0.03011175 -0.01067144
-16.31458512 9.86758706 -9.74388886
-0.00022758 0.00072503 -0.00091587
-0.01087722 -0.00378703 -0.00246316
8.65222227 9.85745695 -2.05351513
-0.00060131 0.00021101 -0.00036210
-0.00736371 -0.01787941 -0.02005880
7.07465191 8.53389719 -4.21194133
0.00215612 -0.00079226 -0.00059867
-0.00058163 0.01083716 0.00703838
12.16796777 -20.37698573 -26.65644779
-0.00032326 0.00049625 0.00011949
-0.02556943 0.00300501 -0.00635848
13.48624775 -19.72976067 -24.01825055
0.00063454 -0.00035264 0.00045634
-0.00076977 -0.01096751 -0.01007551
5.67972521 4.87063252 2.75461165
-0.00016109 -0.00093812 0.00015060
-0.01161170 -0.03895922 -0.01115460
6.30740186 7.18490224 0.90234187
0.00012241 0.00095372 0.00025066
0.00245295 -0.01640499 0.01252393
20.50434452 -6.53326700 -5.66065371
0.00049627 -0.00000891 0.00001453
0.01449769 -0.00922237 0.01200917
17.88479473 -5.23185360 -5.37472457
0.00021995 -0.00063372 -0.00067866
-0.00165223 0.00541659 0.00240192
-3.01799096 0.16565109 -1.23131088
0.00113613 0.00056427 -0.00046124
0.02228238 0.00260386 -0.01344241
-2.33835515 1.04536189 -4.04988091
-0.00114859 0.00002541 0.00036131
0.01115646 -0.01307063 0.00893818
3.58256033 -3.40493179 -12.09953577
0.00003694 0.00039232 -0.00015867
-0.02428847 0.03406524 -0.00512324
0.72134086 -2.35446095 -11.47614358
-0.00135820 -0.00032943 0.00032061
0.01028037 -0.00815641 -0.00681534
19.91900582 8.28873350 -6.60021693
-0.00204732 -0.00020941 -0.00059707
-0.01204937 -0.00962287 -0.01689747
21.94926244 8.59460588 -4.71372711
-0.00069227 0.00010070 -0.00032187
0.03411415 -0.00736785 0.01393223
-7.56798634 4.69815904 8.90190208
0.00024617 -0.00008589 -0.00009765
0.00461006 -0.00128008 0.00192587
-7.41894190 6.26045436 11.17468438
-0.00055652 -0.00009146 -0.00039171
-0.00026978 -0.00186135 0.05753007
-2.99277398 -16.37546105 11.64871783
-0.00011530 0.00016935 -0.00089982
-0.01274359 -0.00782710 -0.00032580
-4.12264590 -13.58555964 11.76638413
0.00004737 0.00037208 -0.00018501
-0.01916230 -0.00613646 0.00046699
8.28598638 0.39684558 -3.22223353
0.00057224 0.00075315 0.00051381
0.00519573 -0.00319787 0.04322917
7.74250616 2.06558375 -5.51038262
0.00050992 -0.00081431 0.00009508
-0.00644495 0.02312784 -0.01630898
1.23889872 -10.65352125 1.62186783
0.00001394 0.00000978 -0.00061496
-0.00017916 0.00051401 0.01481804
0.19977340 -8.27902112 0.16197626
-0.00038429 0.00008413 0.00071701
0.00249845 -0.01507093 0.00128848
-19.96499031 -1.34441090 6.68366664
-0.00057693 0.00028102 -0.00010031
-0.00414240 -0.00556196 -0.02191277
-21.00508799 0.18204514 4.32222968
-0.00013928 -0.00074195 0.00071890
0.00253521 -0.00276961 0.00301446
-3.66390332 8.46024781 -24.99154796
-0.00068455 0.00049147 0.00042033
-0.01923513 -0.03461548 0.01187008
-4.39332686 9.09056546 -22.51884923
-0.00007625 -0.00025685 -0.00088761
-0.00837414 -0.01347123 0.01866366
3.68776296 1.00855191 -0.93428600
0.00055255 -0.00025337 0.00012166
0.01673630 -0.01893731 0.00155081
1.06318149 1.61669864 -2.12173969
0.00094676 -0.00192123 0.00071130
0.00080324 -0.00503494 0.00726957
16.05333941 7.46884437 6.36501022
-0.00079558 -0.00010712 -0.00007418
0.00939873 0.00953713 0.02767420
15.79688582 9.08940669 3.91967012
0.00019986 0.00075481 -0.00075589
0.01024575 0.03492619 -0.01003817
-0.35192894 -11.81614998 -13.32388706
0.00002652 0.00000047 0.00024321
0.00930651 -0.00191190 -0.00142681
-13.93567535 14.51451656 22.15277406
-0.00001485 -0.00011055 0.00014772
-0.00025020 -0.00386401 0.00069102
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02672520
0.34024090
453.35393650
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1366143862
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4143920527 (a.u.)
total exchange computation time: 2.7329771519 s
-154.2220010947
-931.36564911
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1366143862
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4134598516 (a.u.)
total exchange computation time: 2.7330861092 s
-154.2302156548
Anderson extrapolation: theta=1.3550162329 (1.3550162329)
-931.36587815
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1366143862
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4120814673 (a.u.)
total exchange computation time: 2.7332468033 s
-154.2420663324
Anderson extrapolation: theta=0.0529859001 (0.0529859001)
-931.36601486
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1366143862
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4119202604 (a.u.)
total exchange computation time: 2.7327430248 s
-154.2433024422
Anderson extrapolation: theta=1.9287484966 (1.9287484966)
-931.36601993
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1366143862
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4115862560 (a.u.)
total exchange computation time: 2.7328178883 s
-154.2458221164
Anderson extrapolation: theta=0.2182589026 (0.2182589026)
-931.36602521
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1366143862
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4115086909 (a.u.)
total exchange computation time: 2.7339780331 s
-154.2463755736
Anderson extrapolation: theta=1.8426478455 (1.8426478455)
-931.36602618
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1366143862
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.4113886552 (a.u.)
total exchange computation time: 2.7332301140 s
-154.2471989948
Anderson extrapolation: theta=0.2832609317 (0.2832609317)
-931.36602732
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1366143862
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.4113780606 (a.u.)
total exchange computation time: 2.7352240086 s
-154.2472370649
Anderson extrapolation: theta=1.3148685285 (1.3148685285)
-931.36602758
-208.555973 50.698410 -160.371277
-133.812855 460.201994 -799.514260
-342.368828 510.900404 -959.885537
1140.006965
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1366143862
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.4113819637 (a.u.)
total exchange computation time: 2.7333669662 s
679.70955066
-1085.27026952
89.59539171
-388.05586344
-174.93345521
79.07838902
551.60419304
0.00000000
-931.36602775
-10.93168308 -4.23824259 6.71232114
-0.00004972 -0.00009010 -0.00000490
0.03628317 -0.01417759 0.01313348
-14.08081214 3.55248437 9.38666497
0.00026889 0.00018962 -0.00020346
0.01032083 -0.01900386 -0.01174745
-15.97178133 1.33744693 3.46335856
0.00020078 0.00020889 -0.00004962
0.01488944 0.01905702 -0.01884395
2.50197477 -19.82043375 12.81504929
0.00015845 -0.00011883 -0.00019386
-0.00010325 -0.00532128 -0.00601768
9.63875487 20.38052838 1.02516339
0.00001939 -0.00001234 0.00042195
-0.02888415 0.01112951 0.00893977
-11.99041736 12.57972361 15.13208254
-0.00032096 -0.00016760 0.00015545
-0.00140237 0.02220002 -0.01467027
-6.27528029 1.48016689 -12.28103050
0.00016121 -0.00021263 -0.00025458
-0.01004257 0.00030146 0.01701851
-7.39692397 7.79847223 -5.92520339
0.00000873 -0.00005990 -0.00015184
-0.01841930 0.01856665 -0.02113217
-7.69767470 -4.36508849 17.81258397
-0.00011111 0.00014463 -0.00018211
0.00582567 -0.00700533 -0.00070482
-23.49917871 -5.03042528 -22.57763770
-0.00014377 -0.00024710 -0.00018362
0.00442603 0.03332015 -0.01869460
6.64512798 12.76340408 6.05529869
-0.00003258 -0.00005624 0.00001727
-0.03819258 0.02735456 -0.01582595
24.70589612 30.43135679 -2.89603594
0.00015730 0.00008136 -0.00016469
0.00962821 0.00171389 -0.01716611
7.91910727 -1.19752158 -14.50504459
-0.00003122 0.00036745 -0.00023011
-0.00261998 0.01693388 0.04698672
-7.28714173 -0.94019024 14.41057568
-0.00014821 0.00007801 0.00001528
0.03965719 0.01634844 -0.06291856
-1.84929918 -26.23231818 11.30726768
0.00039030 0.00003059 -0.00002588
-0.00386639 0.00033665 0.02039235
-14.12837724 -4.56482953 -7.02811464
0.00026740 0.00024395 0.00009898
-0.00851793 -0.00541754 -0.00939649
-19.99452222 -12.56291099 -17.78098950
-0.00010466 -0.00030076 0.00015764
-0.01005812 -0.01814526 -0.01502790
22.73321271 3.62225741 3.01547356
0.00015540 -0.00012140 -0.00012729
-0.01496057 -0.01928029 0.01387912
17.76604442 -10.16863529 -14.34935179
0.00004673 -0.00035075 -0.00006311
-0.01717656 0.00359439 -0.02560401
-2.08126505 1.87076634 -7.06603814
0.00028906 -0.00010241 0.00022415
-0.01321962 -0.01492472 -0.01107179
-4.18342192 -3.04279876 -15.61775254
-0.00015766 0.00002602 0.00004033
-0.01132123 0.00412345 -0.00788749
13.35099542 17.25753125 -20.10955725
-0.00004295 0.00006689 0.00033981
0.01432589 -0.02663624 0.01261940
-16.27174882 16.05684522 -12.11454883
0.00059683 0.00004224 -0.00015148
-0.02231550 0.02969066 0.05938758
1.70738532 14.44831952 7.53820030
0.00057984 0.00060676 0.00000189
0.02199906 -0.03383838 -0.00928166
-5.27951938 -9.63034210 2.15830375
-0.00015048 -0.00023836 0.00033830
-0.01743846 0.02521323 -0.02162234
3.09161863 -6.40305397 2.54515385
0.00010817 -0.00038340 0.00013572
-0.01436567 0.03031925 0.01023293
10.86128538 4.89058639 4.48843604
0.00013492 0.00010292 -0.00025474
0.00615736 -0.00197983 0.01431636
-8.53369927 -9.68708578 -2.72094995
-0.00001306 0.00015181 -0.00031246
0.02381160 -0.02466329 0.00291400
3.16176148 -15.98927163 -13.20335990
0.00000585 0.00009299 0.00006678
-0.02295293 0.03827446 -0.04797113
4.83438173 -8.44455087 -5.59994951
-0.00015500 0.00000520 0.00034479
0.01253122 0.03410770 -0.04256471
18.55321052 0.90468985 24.74242154
-0.00003267 0.00034025 -0.00020543
0.01498690 -0.02256458 0.00428167
-8.32130873 3.13148631 1.10084655
-0.00052727 -0.00010079 0.00019438
-0.01109857 -0.00327162 0.00641210
-7.80088800 14.21499112 -10.52589735
0.00040511 0.00005364 0.00019094
0.02661051 0.00502323 0.02687022
1.69417738 11.38125817 -8.96604919
0.00003801 0.00002803 -0.00004023
0.01982884 0.02324973 -0.00748046
-11.77637560 10.03458347 -13.85155231
0.00027119 0.00024069 -0.00021475
-0.02095004 0.00740830 0.01680440
7.11904969 4.35439952 14.68337793
-0.00046070 0.00024902 -0.00007517
-0.00530347 -0.01771093 0.02671236
-14.68995519 9.27067455 -9.20513205
-0.00025863 -0.00038129 0.00046500
0.00786506 0.03089570 0.00745239
8.50754314 8.30111250 -3.11117417
-0.00020901 -0.00016511 -0.00010401
0.01719014 0.01231968 0.02739212
13.71027855 -20.41539544 -25.77692015
0.00019049 -0.00013159 -0.00022597
0.02208979 0.00426265 0.01306975
6.31250154 6.52212458 2.63017931
-0.00012987 0.00034253 -0.00027794
0.00086545 0.04205497 -0.00058828
19.16520580 -5.77101592 -6.56736039
-0.00037910 0.00005716 -0.00025299
-0.00920948 -0.00119457 -0.00751062
-1.69503540 0.03465382 -2.57907634
0.00006462 -0.00017268 -0.00024443
-0.02474723 0.00951978 0.00707414
2.36722438 -1.88442193 -12.27200298
0.00004974 0.00008491 0.00035849
0.01870334 -0.02757305 0.00650756
20.42461024 9.36077568 -5.25738796
-0.00045976 0.00005570 0.00001630
-0.03168571 0.01371683 -0.00978167
-7.48077786 6.45673355 9.45717680
-0.00009967 -0.00008387 0.00010735
-0.01348195 0.00052624 -0.05664377
-2.66905498 -14.60906136 11.52040020
0.00019239 0.00001334 -0.00022768
0.03066448 0.01649036 0.00429924
8.12909564 0.38434369 -4.96539209
-0.00005864 -0.00021247 -0.00007251
0.00460179 -0.03659730 -0.01519110
-0.05291754 -10.10524963 0.45865220
-0.00013805 -0.00028714 -0.00022111
-0.01120383 0.01185089 -0.02003056
-20.12419074 -1.37710246 4.76181684
-0.00022932 0.00038366 -0.00000383
0.00177666 -0.00136108 0.02112984
-4.66847126 7.58033740 -23.54331829
0.00023629 0.00012302 -0.00024694
0.02493432 0.04362422 -0.02458753
2.57450490 2.34567310 -1.27769243
-0.00006855 -0.00000206 0.00040031
-0.01133673 0.01690989 -0.00578256
15.53096707 7.51702280 4.67048559
-0.00001222 -0.00037381 -0.00004938
-0.02160230 -0.02915849 -0.03179466
-9.31679450 -4.75302134 7.50099389
-0.00069080 0.00045413 0.00027570
-0.02376520 0.00291486 0.00049305
-10.34851206 -3.72970280 5.06267994
0.00076533 -0.00005854 -0.00017924
0.00047883 -0.00411341 -0.01392628
-12.87196267 4.70721597 8.67241522
0.00038270 0.00045087 -0.00068079
0.00190283 0.00800918 0.00228392
-13.50134528 1.91628991 8.61547713
-0.00050797 -0.00060105 -0.00016415
-0.01238608 0.01745792 0.00860853
-15.12322788 1.67396308 5.01567488
-0.00147244 0.00109468 -0.00048048
0.01357280 0.00204756 0.01158569
-17.15191139 0.11397796 4.03392602
-0.00072075 0.00000415 0.00027629
-0.02880435 -0.02043057 0.00489316
2.98895477 -21.23533546 11.70670172
0.00064397 0.00057462 0.00067605
-0.00847745 0.00337468 0.00305246
3.55158658 -19.97930251 14.28645656
0.00093104 0.00062294 0.00098948
0.00610608 0.00500978 0.00304909
8.52487973 18.93648953 1.14063844
0.00001242 -0.00022188 0.00050307
0.01088048 -0.01984931 -0.01226903
8.44237729 21.48771237 1.93372157
0.00014527 -0.00031054 -0.00003737
0.01461224 0.01631138 -0.00229067
-10.89807816 11.91116883 16.38043394
-0.00074106 -0.00106024 0.00005235
0.01496984 -0.00711146 0.01961679
-12.56236641 14.19049029 15.79933115
-0.00029826 0.00059450 0.00010404
-0.00016043 0.00083159 -0.00233372
-5.40755657 0.21091443 -13.25240338
0.00036120 0.00034532 0.00047163
-0.00169168 -0.00478855 0.00171531
-6.78944917 0.73073188 -10.59808162
0.00043831 0.00000893 -0.00159537
0.01121525 0.00308951 -0.01846853
-6.82130519 6.41379545 -4.97880331
-0.00002517 -0.00032162 -0.00013694
0.01148768 -0.02247904 0.01628220
-9.15850245 7.88553434 -5.43626457
-0.00037071 0.00050237 0.00020241
0.00232604 0.00039089 -0.00319427
-8.49376921 -3.35736535 19.07846628
0.00025946 0.00104314 0.00074384
-0.00227564 0.01202236 0.00368679
-7.78366185 -6.01869478 18.52976861
-0.00037675 -0.00040873 -0.00004327
-0.00386968 -0.01891620 0.00460465
-23.21157262 -3.31741611 -23.35281345
-0.00037266 -0.00062685 -0.00017676
-0.00987833 -0.02674990 0.00009038
-23.07965226 -4.64505800 -20.86785998
0.00042448 -0.00111036 -0.00024869
-0.00361986 -0.00319826 0.01293628
6.61997811 13.32368217 4.28508295
0.00010329 0.00009157 -0.00022836
0.01424396 -0.00965276 0.01392506
8.06612372 11.77976119 6.48906489
0.00003857 0.00052687 0.00027418
0.02829078 -0.01700427 -0.00201301
24.74641238 28.76126004 -2.22667075
0.00056920 0.00057303 -0.00059812
-0.00225596 -0.00962190 0.00898700
23.98268928 31.58152826 -1.69927546
0.00019735 0.00062020 0.00042551
-0.00706618 0.00597548 0.01210860
9.44174547 -2.26428579 -14.84535814
-0.00006099 0.00010119 -0.00110503
-0.00637694 -0.00034219 0.00715742
7.86176826 -1.06902923 -12.60070009
0.00071522 -0.00149619 -0.00026569
-0.00217921 -0.01137425 -0.04066015
-7.39121969 -0.08859902 15.95813223
-0.00054730 0.00018474 -0.00018073
-0.01567588 0.00512344 0.03413240
-8.46325897 -2.17930721 13.94822388
-0.00122581 -0.00023102 -0.00022531
-0.02061287 -0.01505672 0.01680125
-2.66049475 -26.66355682 12.99372488
-0.00034696 0.00011190 -0.00048026
0.01470792 0.00124496 -0.01902080
-3.14762615 -25.89815599 10.09215646
-0.00055098 0.00008569 0.00019219
-0.00638081 0.00010529 -0.00911791
-14.36213232 -2.89776610 -6.29513286
-0.00124312 0.00007332 0.00030511
0.00292006 0.00684722 0.00202888
-14.92076787 -4.55003030 -8.69258609
0.00047806 -0.00029099 0.00005355
0.00519993 -0.00155066 0.00169483
-19.26330361 -11.23447951 -16.78337667
-0.00003126 0.00143331 0.00034003
0.01895652 -0.00272621 -0.00009557
-18.70157340 -13.78243814 -18.38476365
0.00100291 0.00069292 0.00013314
-0.00004247 0.02062463 0.01517231
23.64264311 3.14972505 1.42413813
0.00124851 0.00018666 0.00075994
0.00269846 0.02531672 0.00516060
22.85637662 5.18552192 3.95587238
-0.00021948 -0.00015670 0.00014727
0.01034627 -0.00248822 -0.01634164
16.25046570 -9.91983828 -13.34669077
-0.00122312 -0.00040121 0.00056012
0.00178164 0.00376591 0.00756150
17.11397390 -9.83154758 -16.08779928
-0.00093867 -0.00068506 -0.00031855
0.01612091 -0.00237907 0.01842664
-0.59841601 2.30463801 -8.02581548
0.00006529 -0.00063849 -0.00010174
0.01856289 0.01020892 -0.00225968
-2.26589298 0.14031803 -7.67686723
0.00038984 -0.00101558 0.00129153
-0.01073909 0.00694974 0.00459458
-5.67209063 -3.38904203 -16.64990342
-0.00033417 -0.00115344 -0.00064892
0.00863160 -0.00321698 0.00571558
-3.36258277 -1.76663501 -16.65309607
-0.00085555 0.00049851 0.00019600
0.00157050 0.00269011 -0.00246543
12.88124121 18.84400709 -20.83995901
-0.00039663 0.00066717 0.00074607
-0.01649403 0.00194070 -0.00654853
11.90299345 16.06723032 -20.11474217
0.00034045 0.00014258 0.00030772
0.00839461 0.02129653 -0.00887538
-15.37568013 15.59938724 -13.52828873
-0.00019293 0.00070853 0.00020201
0.03426729 -0.01501356 -0.04884472
-17.81278725 15.14576248 -12.36639015
-0.00017537 -0.00026795 0.00086524
-0.01227750 -0.01327660 -0.00115798
2.77203807 15.05434126 6.14636687
0.00001414 -0.00071400 -0.00082278
-0.01349316 0.00307061 0.00507582
0.69062478 15.69602720 8.26246201
0.00046281 -0.00082644 -0.00012802
-0.01997762 0.02877110 0.00459611
-6.18092991 -8.29127207 1.12417881
0.00030855 0.00103779 -0.00073164
0.01713134 -0.02481984 0.02623788
-3.51816475 -9.42503995 1.66163565
-0.00037514 -0.00078574 0.00001816
0.00531604 -0.00439925 0.00108261
2.34563748 -4.66220481 2.85203921
-0.00099073 0.00117740 0.00062246
0.02792585 -0.02907068 -0.00611717
4.48917058 -6.33111237 1.33481939
-0.00000743 -0.00119659 0.00012593
-0.00266437 0.00446578 0.00554776
9.24955274 5.72103906 4.30026772
-0.00084034 0.00015987 -0.00045170
-0.00426056 0.00691992 -0.00921736
12.13555720 6.20723956 4.74321458
-0.00038718 0.00025413 0.00003125
0.00109406 -0.00208104 -0.00170849
-7.39388413 -11.17503420 -2.27336647
0.00118010 -0.00003902 -0.00092939
-0.02971203 0.03041248 -0.00733706
-9.76929243 -9.39258440 -1.39944977
-0.00019757 0.00091216 -0.00020246
0.00127011 -0.00528658 0.00130005
4.51610747 -16.59245883 -14.21715867
-0.00071330 0.00038903 0.00066802
0.01059478 -0.00565928 0.00385387
3.25193608 -16.71832309 -11.63016792
0.00217312 -0.00082865 -0.00078464
0.00627182 -0.02878165 0.04472600
5.84849844 -6.87402033 -6.05928520
-0.00012740 0.00040187 0.00060416
-0.01531533 -0.02439012 0.00499641
4.95139657 -8.39656581 -3.84333672
0.00040571 0.00126306 0.00000871
-0.00016930 -0.00521319 0.03897966
16.80810249 1.37762946 24.54282554
-0.00026315 -0.00009771 0.00048546
-0.00162933 0.01947281 -0.00044378
19.81199062 2.27239322 24.96457270
0.00063574 0.00003980 -0.00126329
-0.01605570 0.00120187 -0.00233118
-9.79004060 3.29368898 2.32937002
-0.00017699 0.00136500 0.00031564
0.01976811 0.00985993 -0.01573578
-7.65885898 4.81736805 0.79817392
0.00059023 -0.00023663 0.00007705
-0.00061256 -0.00281916 0.00861343
-6.42285893 14.49408955 -9.23237386
0.00043812 -0.00074319 0.00056667
-0.02840439 -0.00448411 -0.02552538
-9.29220106 13.81621002 -9.51211567
-0.00052431 -0.00042978 0.00076074
0.00312585 -0.00159504 -0.00238576
0.09820775 10.89122292 -8.24734737
0.00020548 -0.00009721 0.00066010
0.00482849 0.00592695 0.01547745
2.61204945 12.68217211 -7.88055385
0.00053746 -0.00002981 0.00059305
-0.02238605 -0.03012977 -0.00861361
-10.36000072 8.94426372 -13.70669536
0.00086857 0.00008780 -0.00034578
0.01854462 -0.01133903 -0.00088074
-12.58715093 9.88161045 -12.16407863
-0.00084038 0.00028498 0.00089417
0.00072818 0.00016778 -0.01296882
7.17714579 6.06887806 15.30998321
0.00030823 0.00096891 0.00034235
0.00254900 -0.00122707 -0.03021611
7.18538000 4.06091067 12.87861450
-0.00026133 0.00001968 0.00024318
0.00752343 0.02004690 -0.00351098
-13.93965816 10.84946189 -8.33021920
0.00076963 -0.00005060 -0.00048814
-0.00727751 -0.03080439 -0.01055078
-16.31833211 9.87834645 -9.75770238
-0.00026115 0.00070556 -0.00092150
-0.00555595 -0.00574427 -0.00029118
8.64297693 9.86007418 -2.05956132
-0.00063128 0.00013649 -0.00044492
-0.00730556 -0.01859900 -0.02048071
7.10697590 8.52234543 -4.22070573
0.00213225 -0.00074407 -0.00058616
-0.01110101 0.01275271 -0.00091481
12.16233539 -20.36944988 -26.65485031
-0.00042197 0.00050847 0.00009666
-0.02275085 0.00297719 -0.00481455
13.49574229 -19.73538632 -24.01171413
0.00063123 -0.00039876 0.00041081
-0.00085291 -0.01161029 -0.01221564
5.67695303 4.85536683 2.75652878
-0.00020019 -0.00107515 0.00010204
-0.00752660 -0.02811538 -0.01261545
6.30931316 7.19870531 0.90648556
0.00013171 0.00088653 0.00029714
0.00210070 -0.01648555 0.01022737
20.51223286 -6.53368323 -5.66006771
0.00054371 -0.00003990 0.00005552
0.00872366 -0.00594714 0.00805263
17.88804338 -5.24119335 -5.38483083
0.00020341 -0.00060743 -0.00065966
-0.00644742 0.00744787 0.00689534
-3.00026618 0.17419491 -1.23864145
0.00121932 0.00057397 -0.00050688
0.01843865 0.00214707 -0.00889913
-2.35524207 1.04534246 -4.04418736
-0.00109999 -0.00002807 0.00039734
0.01263179 -0.01310745 0.00869934
3.58237014 -3.39800317 -12.10207284
-0.00006164 0.00052889 -0.00017867
-0.02396644 0.03278919 -0.00466627
0.70128295 -2.35965237 -11.47154335
-0.00130327 -0.00036015 0.00028744
0.01660721 -0.00688234 -0.00941964
19.88792686 8.28529743 -6.60969080
-0.00208888 -0.00023779 -0.00065082
-0.00829511 -0.00426607 -0.00941130
21.93992370 8.59589054 -4.71812819
-0.00054970 0.00006723 -0.00026498
0.03567661 -0.00901519 0.01391335
-7.56415258 4.69683141 8.90049629
0.00026483 -0.00009014 -0.00008955
0.00452504 -0.00079713 0.00204060
-7.42729790 6.25902546 11.17057162
-0.00055774 -0.00010000 -0.00014758
-0.00032807 -0.00231923 0.06197339
-2.99489398 -16.37316067 11.63521048
-0.00016777 0.00013517 -0.00090108
-0.01294187 -0.00890337 -0.00028899
-4.12252253 -13.58016647 11.76362335
-0.00002604 0.00034348 -0.00018438
-0.01677333 -0.00786607 -0.00016265
8.29472914 0.40804487 -3.21320164
0.00059258 0.00073968 0.00067569
0.00476433 -0.00339823 0.03600906
7.74995753 2.05407782 -5.50945614
0.00048099 -0.00070955 0.00002461
-0.00771896 0.02815305 -0.01818773
1.23910233 -10.65335876 1.61309755
0.00001531 0.00000992 -0.00055186
0.00084837 -0.00044651 0.01607027
0.19408567 -8.27822097 0.17277096
-0.00037458 0.00002037 0.00072126
0.00225125 -0.01613984 0.00079009
-19.97377121 -1.34036602 6.68149051
-0.00059264 0.00025709 -0.00018690
-0.00354868 -0.00615035 -0.02047364
-21.00709946 0.17083108 4.33310557
-0.00013752 -0.00073898 0.00072560
-0.00167738 0.00422373 0.00026475
-3.67476094 8.46655913 -24.98487928
-0.00075831 0.00035109 0.00046152
-0.01687169 -0.03410268 0.00829366
-4.39472720 9.08629985 -22.53159151
-0.00010940 -0.00030386 -0.00080314
-0.00785253 -0.00953821 0.02268588
3.69656408 1.00417099 -0.93241353
0.00061636 -0.00032156 0.00012688
0.01449629 -0.01443790 0.00100367
1.07740749 1.58772593 -2.11084738
0.00094576 -0.00193905 0.00073888
-0.00129442 -0.00369082 0.00622961
16.04169377 7.46752985 6.36474555
-0.00075570 -0.00006741 0.00004279
0.01012319 0.00989935 0.02958150
15.80019770 9.10179904 3.90802413
0.00023762 0.00087336 -0.00078501
0.00823833 0.02310390 -0.00421313
-0.35150616 -11.81614804 -13.32024269
0.00002987 -0.00000022 0.00024269
0.00940373 -0.00195567 -0.00152157
-13.93589855 14.51285159 22.15499105
-0.00001491 -0.00011145 0.00014787
-0.00027482 -0.00386033 0.00060630
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02670087
0.33932688
452.13605440
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1366143862
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3984076226 (a.u.)
total exchange computation time: 2.7359011173 s
-154.1614571162
-931.36283464
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1366143862
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3976250456 (a.u.)
total exchange computation time: 2.7344429493 s
-154.1684965716
Anderson extrapolation: theta=1.3510409687 (1.3510409687)
-931.36306182
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1366143862
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3964469030 (a.u.)
total exchange computation time: 2.7333269119 s
-154.1787601603
Anderson extrapolation: theta=0.0511766712 (0.0511766712)
-931.36319639
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1366143862
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3962916521 (a.u.)
total exchange computation time: 2.7343559265 s
-154.1799303017
Anderson extrapolation: theta=1.8666469079 (1.8666469079)
-931.36320098
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1366143862
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3959703160 (a.u.)
total exchange computation time: 2.7348589897 s
-154.1822956695
Anderson extrapolation: theta=0.2079615657 (0.2079615657)
-931.36320535
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1366143862
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3958909323 (a.u.)
total exchange computation time: 2.7368199825 s
-154.1828352060
Anderson extrapolation: theta=1.8501630516 (1.8501630516)
-931.36320605
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1366143862
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3957613454 (a.u.)
total exchange computation time: 2.7329289913 s
-154.1836716941
Anderson extrapolation: theta=0.2856539712 (0.2856539712)
-931.36320680
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1366143862
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3957436799 (a.u.)
total exchange computation time: 2.7336881161 s
-154.1837414427
Anderson extrapolation: theta=1.3303236211 (1.3303236211)
-931.36320695
-208.604271 50.703835 -160.312872
-133.818031 460.222054 -799.534859
-342.422303 510.925889 -959.847732
1140.002616
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1366143862
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3957364533 (a.u.)
total exchange computation time: 2.7330479622 s
679.46999258
-1084.75691663
89.61635584
-388.40422068
-174.89268167
78.79718281
551.60419304
0.00000000
-931.36320702
-10.93228886 -4.23964880 6.71229825
-0.00003173 -0.00009679 0.00000060
0.03364475 -0.01184511 0.00825962
-14.07673895 3.55525541 9.38356777
0.00027468 0.00018002 -0.00020990
0.01220030 -0.01832993 -0.01328310
-15.96871219 1.34065372 3.46254156
0.00020609 0.00021700 -0.00006047
0.00574264 0.01251542 -0.02333697
2.50435116 -19.82223671 12.81211816
0.00015956 -0.00012053 -0.00019381
0.00442006 -0.00130268 0.00622072
9.63893429 20.38038628 1.03152708
0.00000479 -0.00000742 0.00042614
-0.02787134 0.00798132 0.00735220
-11.99523716 12.57729528 15.13435777
-0.00032194 -0.00015527 0.00014819
-0.00239382 0.02572005 -0.01359530
-6.27290092 1.47697856 -12.28478350
0.00015594 -0.00021098 -0.00024675
-0.01044993 0.00612175 0.01342468
-7.39686408 7.79764528 -5.92756254
-0.00000137 -0.00005069 -0.00016217
-0.02083637 0.01725229 -0.01902680
-7.69931895 -4.36294610 17.80984957
-0.00010907 0.00014110 -0.00018060
0.00213792 -0.00671294 0.00659028
-23.50131815 -5.03400321 -22.58046411
-0.00014168 -0.00023070 -0.00019317
0.00368655 0.03043889 -0.01844246
6.64449199 12.76266594 6.05549670
-0.00005252 -0.00004191 0.00000861
-0.03935251 0.02837825 -0.01785607
24.70829272 30.43258386 -2.89857255
0.00016159 0.00008449 -0.00017307
0.00706378 0.01043171 -0.01541673
7.91862885 -1.19194453 -14.50831498
-0.00003209 0.00037565 -0.00020634
-0.00076248 0.01494650 0.04544492
-7.28921198 -0.93895699 14.41056213
-0.00012942 0.00008456 -0.00001775
0.03343756 0.00910424 -0.06551275
-1.84345959 -26.23185801 11.30695810
0.00038721 0.00003101 -0.00001634
-0.00815800 0.00127142 0.01669759
-14.12439912 -4.56119113 -7.02666612
0.00026300 0.00024131 0.00009442
-0.00860093 -0.00484602 -0.00835651
-19.99613085 -12.56749245 -17.77868294
-0.00010852 -0.00030805 0.00015142
-0.00496717 -0.01016810 -0.00914006
22.73548597 3.62036203 3.01361777
0.00014753 -0.00013101 -0.00011974
-0.01564981 -0.01809847 0.01547798
17.76667915 -10.17388271 -14.35039727
0.00003546 -0.00034847 -0.00007553
-0.02665804 0.00527950 -0.02266173
-2.07698013 1.86917264 -7.06271857
0.00028196 -0.00011099 0.00021826
-0.01437374 -0.01844432 -0.01182508
-4.18583048 -3.04239257 -15.61717807
-0.00016459 0.00002772 0.00003562
-0.01564120 0.00249896 -0.01039683
13.35040647 17.25843187 -20.10441147
-0.00003529 0.00005446 0.00034591
0.01545951 -0.02169966 0.01111005
-16.26288238 16.05759338 -12.11659196
0.00058324 0.00005730 -0.00011928
-0.03054607 0.02888285 0.06583172
1.71616780 14.45729044 7.53819286
0.00059234 0.00058727 -0.00000349
0.02658703 -0.04196858 -0.01164233
-5.28184391 -9.63382030 2.16329477
-0.00016040 -0.00022420 0.00032625
-0.02110613 0.02986290 -0.02522371
3.09318580 -6.40868807 2.54722915
0.00009945 -0.00036591 0.00014170
-0.01957128 0.03769393 0.01300028
10.86333294 4.89212258 4.48467011
0.00013623 0.00010243 -0.00024758
-0.00107394 0.00007020 0.01353698
-8.53380329 -9.68490381 -2.72562557
-0.00000064 0.00013884 -0.00031074
0.02447412 -0.02578189 0.00376879
3.16176075 -15.98772912 -13.20254328
-0.00000735 0.00011318 0.00004336
-0.02838276 0.04021939 -0.04308347
4.83210511 -8.44434125 -5.59494192
-0.00014830 0.00002315 0.00032260
0.01350223 0.03566646 -0.04369005
18.55277828 0.90970651 24.73935666
-0.00002494 0.00032859 -0.00020326
0.01508848 -0.02275620 0.00413768
-8.32926058 3.12996181 1.10378704
-0.00053243 -0.00010185 0.00019736
-0.00895612 -0.00084841 0.00516605
-7.79470875 14.21581506 -10.52292964
0.00041716 0.00005567 0.00020593
0.02027504 0.00287069 0.03143457
1.69482406 11.38176827 -8.96668143
0.00004823 0.00004039 -0.00004350
0.01988838 0.02482061 -0.00524654
-11.77238863 10.03822240 -13.85470873
0.00026035 0.00024374 -0.00020424
-0.02117217 0.00446104 0.02406469
7.11211869 4.35806648 14.68235347
-0.00046341 0.00024130 -0.00006027
-0.00521880 -0.01231312 0.03123533
-14.69380431 9.26507433 -9.19812836
-0.00025567 -0.00036473 0.00046816
0.00363569 0.03349758 0.00486068
8.50447432 8.29868334 -3.11262864
-0.00019746 -0.00015916 -0.00008772
0.02772277 0.01082035 0.03594775
13.71322118 -20.41735284 -25.78025933
0.00020094 -0.00012918 -0.00021916
0.01851592 0.00510220 0.01340434
6.31055681 6.52742471 2.62600799
-0.00013037 0.00036119 -0.00027712
-0.00278682 0.03050726 0.00374684
19.15948383 -5.77016314 -6.57118421
-0.00038109 0.00005517 -0.00025698
0.00147218 -0.00655841 -0.00798809
-1.69416150 0.03210033 -2.58271544
0.00005274 -0.00016784 -0.00024182
-0.02144782 0.00932524 0.00303942
2.36804268 -1.88325471 -12.26660058
0.00005762 0.00007090 0.00036214
0.01192684 -0.02688793 0.00768167
20.41759160 9.36166410 -5.25718121
-0.00047704 0.00006172 0.00000945
-0.03551335 0.00970276 -0.01683425
-7.48232495 6.45547755 9.45856852
-0.00010653 -0.00008366 0.00007782
-0.01319059 0.00029948 -0.05816776
-2.66605082 -14.60879766 11.51700153
0.00020744 0.00002244 -0.00022528
0.02786912 0.01889078 0.00504659
8.12823373 0.38101541 -4.96653840
-0.00005591 -0.00023219 -0.00007774
0.00601843 -0.04008071 -0.00511902
-0.05503145 -10.10951097 0.45525827
-0.00014391 -0.00028070 -0.00023152
-0.01159959 0.01319208 -0.02046518
-20.12762366 -1.37135286 4.76184085
-0.00022735 0.00038112 0.00000730
0.00589216 -0.00849726 0.02217330
-4.66483067 7.58235090 -23.54711719
0.00024827 0.00014409 -0.00025950
0.02164969 0.03832614 -0.02424798
2.57343287 2.34570748 -1.27171011
-0.00007311 0.00000504 0.00039763
-0.00640122 0.01069771 -0.00464393
15.53070044 7.51130314 4.66962224
-0.00002284 -0.00038585 -0.00006740
-0.01970945 -0.01766329 -0.03829253
-9.32788475 -4.74612003 7.50514447
-0.00078031 0.00046346 0.00028186
-0.02004984 0.00164990 0.00252185
-10.33701745 -3.73070693 5.05956456
0.00076478 -0.00007743 -0.00023012
-0.00074611 -0.00513319 -0.01097754
-12.86616380 4.71422450 8.66227336
0.00038608 0.00047750 -0.00066921
-0.00024875 0.00502652 0.00338539
-13.50934434 1.90780916 8.61327860
-0.00055861 -0.00052542 -0.00012821
-0.01240318 0.01955991 0.00898772
-15.14489859 1.69044597 5.00882263
-0.00140865 0.00110657 -0.00041866
0.01765174 0.00377369 0.01867676
-17.16360524 0.11341414 4.03822038
-0.00082857 -0.00006908 0.00029111
-0.02397566 -0.01541731 0.00236000
2.99835460 -21.22661268 11.71693603
0.00061253 0.00057862 0.00068132
-0.00691366 -0.00141655 -0.00047581
3.56573936 -19.96980491 14.30139223
0.00094359 0.00064521 0.00098425
0.00003551 0.00589367 -0.00560987
8.52539951 18.93255312 1.14780852
0.00005867 -0.00030077 0.00045274
0.01175574 -0.01876752 -0.01236941
8.44500406 21.48355417 1.93309089
0.00020136 -0.00023983 -0.00004332
0.01284689 0.01829788 -0.00062321
-10.90873531 11.89504726 16.38182028
-0.00068101 -0.00108744 0.00013215
0.01442476 -0.00620203 0.01944897
-12.56684516 14.19943327 15.80082029
-0.00029536 0.00058930 0.00009210
0.00157570 -0.00337715 -0.00351295
-5.40219037 0.21594743 -13.24527640
0.00035959 0.00031883 0.00047189
0.00090481 -0.00817538 -0.00158888
-6.78253090 0.73096056 -10.62257811
0.00047951 0.00001709 -0.00165696
0.00895216 0.00090080 -0.01168038
-6.82133066 6.40828226 -4.98035846
0.00001927 -0.00040974 -0.00007303
0.01026549 -0.02065196 0.01500089
-9.16399183 7.89308185 -5.43332626
-0.00035376 0.00050275 0.00018787
0.00597026 -0.00020542 -0.00392597
-8.48994705 -3.34134980 19.08973684
0.00025758 0.00108168 0.00074728
0.00135533 0.00684066 -0.00200075
-7.78943174 -6.02540541 18.52926067
-0.00039253 -0.00047620 -0.00002765
-0.00385344 -0.01410741 0.00304111
-23.21746516 -3.32763862 -23.35546205
-0.00041216 -0.00073141 -0.00017722
-0.00945850 -0.02442861 -0.00031715
-23.07339603 -4.66181138 -20.87119399
0.00041007 -0.00112224 -0.00019532
-0.00343092 -0.00261941 0.01318859
6.62196395 13.32475989 4.28208423
0.00016174 0.00005108 -0.00016815
0.01436672 -0.01016759 0.01554831
8.06756923 11.78714320 6.49311596
0.00015628 0.00045612 0.00026643
0.02932688 -0.01762949 -0.00178427
24.75488121 28.76956066 -2.23536712
0.00055992 0.00052449 -0.00055716
-0.00228582 -0.01413901 0.01105913
23.98543293 31.59101433 -1.69252170
0.00017315 0.00063623 0.00046671
-0.00477690 0.00187476 0.00805945
9.44063519 -2.26277835 -14.86171428
-0.00008945 0.00010172 -0.00107560
-0.00755330 0.00059783 0.00725114
7.87242977 -1.09182058 -12.60593144
0.00070511 -0.00154080 -0.00042862
-0.00276710 -0.01046454 -0.03909276
-7.39990954 -0.08567090 15.95646722
-0.00061160 0.00020609 -0.00004104
-0.01580208 0.00532751 0.03424685
-8.48227775 -2.18323396 13.94535911
-0.00129696 -0.00027856 -0.00015193
-0.01421669 -0.00821053 0.01911697
-2.66524840 -26.66184010 12.98593819
-0.00028566 0.00011660 -0.00055511
0.01529820 0.00105480 -0.01762301
-3.15608631 -25.89686736 10.09475993
-0.00056944 0.00008479 0.00015937
-0.00265536 -0.00054743 -0.00694855
-14.38068970 -2.89645647 -6.29049402
-0.00123021 0.00009947 0.00031237
0.00340055 0.00595118 0.00152247
-14.91343762 -4.55444268 -8.69173094
0.00049856 -0.00029718 0.00005941
0.00483440 -0.00148025 0.00117588
-19.26319168 -11.21306347 -16.77827909
0.00003696 0.00140594 0.00032772
0.01443732 -0.01066821 -0.00593171
-18.68653107 -13.77141230 -18.38230163
0.00100133 0.00077671 0.00019513
-0.00072933 0.02038762 0.01517378
23.66145348 3.15330077 1.43569537
0.00125980 0.00028883 0.00077811
0.00282794 0.02469437 0.00373190
22.85340151 5.18309517 3.95758061
-0.00017700 -0.00016763 0.00008032
0.01044474 -0.00286361 -0.01643001
16.23217345 -9.92574098 -13.33805726
-0.00119911 -0.00038818 0.00058057
0.00997462 0.00261306 0.00244730
17.10038777 -9.84189636 -16.09201286
-0.00087007 -0.00069544 -0.00023838
0.01746366 -0.00270435 0.02081657
-0.59686779 2.29537355 -8.02741083
0.00014225 -0.00059638 -0.00011198
0.01910833 0.01040452 -0.00275253
-2.26037442 0.12529723 -7.65735355
0.00034698 -0.00098014 0.00131207
-0.01024036 0.01039939 0.00546328
-5.67683866 -3.40644223 -16.65946203
-0.00029020 -0.00116412 -0.00061969
0.01289308 -0.00201009 0.00859246
-3.37536783 -1.75907488 -16.65023155
-0.00084887 0.00051028 0.00018500
0.00169888 0.00306761 -0.00292189
12.87478634 18.85407410 -20.82896869
-0.00046211 0.00066833 0.00072209
-0.01555885 -0.00137260 -0.00518647
11.90835745 16.07002165 -20.11039841
0.00037078 0.00022638 0.00027166
0.00645049 0.01972137 -0.00877328
-15.37752404 15.60955512 -13.52675540
-0.00004642 0.00064286 -0.00001066
0.03745197 -0.01713077 -0.05525482
-17.81579404 15.14133635 -12.35344701
-0.00021462 -0.00031599 0.00086050
-0.00693396 -0.01023858 -0.00116526
2.77183672 15.04372533 6.13418077
-0.00004029 -0.00069833 -0.00080281
-0.01315258 0.00460204 0.00469832
0.69695468 15.68451221 8.26068252
0.00037108 -0.00069533 -0.00010340
-0.02492376 0.03540649 0.00745695
-6.17577669 -8.27646584 1.11400824
0.00038271 0.00092705 -0.00061708
0.01916823 -0.02938556 0.02983954
-3.52362899 -9.43696084 1.66194127
-0.00035037 -0.00080394 0.00002257
0.00681106 -0.00451274 0.00107367
2.33163224 -4.64543469 2.86118862
-0.00086745 0.00104208 0.00059374
0.03241929 -0.03716592 -0.00794178
4.48897745 -6.34892433 1.33687831
-0.00001707 -0.00117612 0.00014711
-0.00205537 0.00555112 0.00481948
9.23681710 5.72364920 4.29320983
-0.00084554 0.00018225 -0.00048818
0.00171289 0.00403546 -0.00864073
12.12978307 6.21098769 4.74363091
-0.00038070 0.00024795 0.00002461
0.00207452 -0.00094045 -0.00154086
-7.37709314 -11.17468763 -2.28753210
0.00105272 0.00009007 -0.00095851
-0.03264061 0.03277965 -0.00691935
-9.77221703 -9.37906393 -1.40244680
-0.00018812 0.00088785 -0.00019964
0.00335343 -0.00661471 0.00008004
4.50573262 -16.58679684 -14.20702020
-0.00065703 0.00036202 0.00066986
0.01695249 -0.00756149 -0.00295418
3.28472507 -16.73163486 -11.64056702
0.00219681 -0.00094616 -0.00059799
0.00532306 -0.02873640 0.04663953
5.84611811 -6.86873968 -6.05006973
-0.00019093 0.00030046 0.00062202
-0.01578220 -0.02525161 0.00374738
4.95747707 -8.37777961 -3.84201161
0.00040421 0.00124036 0.00017251
-0.00056481 -0.00590138 0.04120311
16.80410527 1.37676053 24.55009379
-0.00026836 -0.00001761 0.00048335
-0.00091801 0.01973715 -0.00058703
19.82103473 2.27302711 24.94555199
0.00056876 0.00004489 -0.00127197
-0.01673147 0.00128728 -0.00192073
-9.79208964 3.31446609 2.33362243
-0.00009859 0.00140381 0.00025279
0.01860623 0.00913951 -0.01502874
-7.65002430 4.81373226 0.79959363
0.00058631 -0.00025224 0.00011255
-0.00130710 -0.00482536 0.00876296
-6.41715758 14.48280426 -9.22465602
0.00032170 -0.00076097 0.00046183
-0.02858459 -0.00421870 -0.02579380
-9.29996989 13.80971441 -9.50077771
-0.00049843 -0.00043275 0.00074228
0.00953925 0.00014338 -0.00664987
0.10143798 10.88994632 -8.23697166
0.00022720 -0.00007306 0.00072211
0.00580000 0.00589563 0.01487691
2.61942535 12.68080172 -7.87192201
0.00044379 -0.00015594 0.00055469
-0.02346636 -0.03161217 -0.01016367
-10.34640385 8.94523330 -13.71190908
0.00093514 0.00004749 -0.00034828
0.01404012 -0.00839601 -0.00034427
-12.59973435 9.88589024 -12.15106342
-0.00082801 0.00028521 0.00082578
0.00532809 -0.00005505 -0.02050980
7.18184728 6.08337412 15.31419251
0.00031772 0.00095165 0.00021359
0.00209684 -0.00722353 -0.03281075
7.18169064 4.06182011 12.88215468
-0.00022995 0.00010168 0.00022457
0.00783701 0.02009716 -0.00559870
-13.92833673 10.84775896 -8.33786460
0.00073796 -0.00017680 -0.00053047
-0.00822683 -0.03097011 -0.01017025
-16.32241961 9.88875379 -9.77153375
-0.00027311 0.00067797 -0.00091802
-0.00029747 -0.00776176 0.00199310
8.63328387 9.86155154 -2.06686270
-0.00066080 0.00006030 -0.00052850
-0.00714556 -0.01869610 -0.02043268
7.13861955 8.51157523 -4.22952618
0.00206531 -0.00068824 -0.00060734
-0.02166754 0.01457640 -0.00945331
12.15530869 -20.36173158 -26.65354789
-0.00050752 0.00052043 0.00008099
-0.01912752 0.00287600 -0.00285651
13.50518455 -19.74172351 -24.00592636
0.00062748 -0.00044716 0.00035723
-0.00098293 -0.01208105 -0.01400879
5.67371957 4.83837806 2.75767276
-0.00022248 -0.00116740 0.00004760
-0.00338592 -0.01704264 -0.01403344
6.31135322 7.21149805 0.91125605
0.00013966 0.00081962 0.00033325
0.00178972 -0.01626666 0.00745065
20.52065584 -6.53446394 -5.65898820
0.00056721 -0.00005744 0.00008025
0.00277783 -0.00263814 0.00405405
17.89089689 -5.25007665 -5.39451450
0.00016733 -0.00057299 -0.00062233
-0.01121033 0.00941080 0.01138242
-2.98141137 0.18287031 -1.24651742
0.00128572 0.00058206 -0.00053273
0.01406488 0.00181129 -0.00375085
-2.37135482 1.04451972 -4.03796066
-0.00104574 -0.00008131 0.00043181
0.01392354 -0.01295378 0.00817488
3.58071113 -3.38906503 -12.10489588
-0.00015765 0.00065876 -0.00019665
-0.02303026 0.03078011 -0.00413573
0.68224282 -2.36526558 -11.46752041
-0.00122399 -0.00038595 0.00024450
0.02219864 -0.00574670 -0.01159701
19.85633953 8.28159991 -6.61974145
-0.00211466 -0.00024456 -0.00067421
-0.00432716 0.00095274 -0.00203839
21.93277143 8.59662269 -4.72167657
-0.00040338 0.00002826 -0.00020915
0.03595033 -0.01005931 0.01341564
-7.56004151 4.69545492 8.89921557
0.00028312 -0.00009258 -0.00008093
0.00442729 -0.00040058 0.00217952
-7.43567401 6.25745442 11.17025697
-0.00055949 -0.00010981 0.00010848
-0.00052830 -0.00248331 0.06337016
-2.99780713 -16.37140594 11.62168542
-0.00022075 0.00009756 -0.00090230
-0.01299194 -0.00950802 -0.00030579
-4.12342715 -13.57525538 11.76085261
-0.00008911 0.00030758 -0.00018643
-0.01409857 -0.00970672 -0.00084070
8.30376389 0.41903589 -3.20196290
0.00061071 0.00072521 0.00080550
0.00410979 -0.00368385 0.02753316
7.75693584 2.04429729 -5.50964431
0.00044737 -0.00058621 -0.00005281
-0.00873724 0.03221987 -0.01971028
1.23935794 -10.65322363 1.60531214
0.00002027 0.00000635 -0.00048420
0.00158238 -0.00130016 0.01704827
0.18853590 -8.27840997 0.18361409
-0.00036579 -0.00004692 0.00072330
0.00205086 -0.01680158 0.00020570
-19.98276960 -1.33669807 6.67805962
-0.00060583 0.00023081 -0.00026668
-0.00290517 -0.00671388 -0.01857795
-21.00921372 0.15987587 4.34399768
-0.00015349 -0.00070680 0.00072096
-0.00613977 0.01152540 -0.00253483
-3.68665257 8.47078042 -24.97770231
-0.00082165 0.00021383 0.00048708
-0.01413542 -0.03308435 0.00421867
-4.39660879 9.08144969 -22.54294346
-0.00014034 -0.00033448 -0.00070232
-0.00729246 -0.00545250 0.02666481
3.70625363 0.99890523 -0.93047955
0.00067009 -0.00037035 0.00012968
0.01180736 -0.00944617 0.00036658
1.09155416 1.55852703 -2.09957327
0.00093650 -0.00195131 0.00076238
-0.00323764 -0.00231058 0.00527139
16.03066855 7.46682203 6.36629381
-0.00071373 -0.00002620 0.00016491
0.01041933 0.01027226 0.03020050
15.80401447 9.11560734 3.89611993
0.00026715 0.00094385 -0.00079044
0.00621699 0.01140253 0.00155331
-0.35103290 -11.81615660 -13.31660648
0.00003325 -0.00000093 0.00024213
0.00949816 -0.00199862 -0.00160955
-13.93612270 14.51117319 22.15721016
-0.00001498 -0.00011234 0.00014800
-0.00029684 -0.00384936 0.00051264
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02665712
0.33654990
448.43586892
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1353596539
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3813030232 (a.u.)
total exchange computation time: 2.7150220871 s
-154.0990698421
-931.35825919
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1353596539
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3806983782 (a.u.)
total exchange computation time: 2.7137489319 s
-154.1048321681
Anderson extrapolation: theta=1.3582045606 (1.3582045606)
-931.35849444
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1353596539
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3797801102 (a.u.)
total exchange computation time: 2.7124311924 s
-154.1132717832
Anderson extrapolation: theta=0.0540396176 (0.0540396176)
-931.35863570
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1353596539
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3796543837 (a.u.)
total exchange computation time: 2.7135980129 s
-154.1142588804
Anderson extrapolation: theta=1.9609902974 (1.9609902974)
-931.35864105
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1353596539
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3793870080 (a.u.)
total exchange computation time: 2.7127161026 s
-154.1162968100
Anderson extrapolation: theta=0.2250215253 (0.2250215253)
-931.35864668
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1353596539
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3793231509 (a.u.)
total exchange computation time: 2.7125420570 s
-154.1167357257
Anderson extrapolation: theta=1.8341142155 (1.8341142155)
-931.35864768
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1353596539
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3792274823 (a.u.)
total exchange computation time: 2.7122111320 s
-154.1173439933
Anderson extrapolation: theta=0.2810832995 (0.2810832995)
-931.35864873
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1353596539
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3792221498 (a.u.)
total exchange computation time: 2.7118761539 s
-154.1173263841
Anderson extrapolation: theta=1.2828603707 (1.2828603707)
-931.35864893
-208.655443 50.700626 -160.253871
-133.822035 460.238741 -799.553763
-342.477478 510.939367 -959.807634
1139.991471
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1353596539
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3792311490 (a.u.)
total exchange computation time: 2.7141819000 s
679.22159086
-1084.22597403
89.63932788
-388.76402106
-174.85034149
78.50612594
551.60419304
0.00000000
-931.35864899
-10.93263509 -4.24114638 6.71233907
-0.00001526 -0.00010223 0.00000347
0.03041092 -0.00928037 0.00291354
-14.07257164 3.55788505 9.38036809
0.00028138 0.00017091 -0.00021705
0.01383458 -0.01712475 -0.01454901
-15.96559875 1.34395705 3.46154452
0.00020670 0.00022178 -0.00007341
-0.00336152 0.00606821 -0.02700228
2.50676164 -19.82404971 12.80923503
0.00016283 -0.00012005 -0.00018760
0.00828953 0.00319133 0.01791454
9.63889868 20.38030574 1.03794749
-0.00000928 -0.00000416 0.00042950
-0.02687203 0.00470783 0.00573666
-12.00007544 12.57506538 15.13652812
-0.00032322 -0.00014133 0.00014162
-0.00259305 0.02850437 -0.01195694
-6.27060217 1.47383746 -12.28843293
0.00015055 -0.00020627 -0.00024102
-0.01051182 0.01221414 0.00884345
-7.39696494 7.79695142 -5.93006848
-0.00001252 -0.00004238 -0.00017129
-0.02255054 0.01506090 -0.01644254
-7.70094671 -4.36085550 17.80716602
-0.00010886 0.00013763 -0.00017537
-0.00131845 -0.00678784 0.01374840
-23.50342914 -5.03734632 -22.58343280
-0.00013998 -0.00021594 -0.00020239
0.00293504 0.02694923 -0.01741776
6.64355240 12.76214674 6.05555696
-0.00007273 -0.00002731 -0.00000087
-0.03925553 0.02839764 -0.01901093
24.71074381 30.43389140 -2.90122810
0.00016456 0.00009197 -0.00018049
0.00446763 0.01866980 -0.01341537
7.91814456 -1.18625217 -14.51123479
-0.00003202 0.00038283 -0.00018359
0.00105258 0.01296789 0.04300641
-7.29102426 -0.93765350 14.41004316
-0.00011387 0.00008760 -0.00005173
0.02701104 0.00273893 -0.06662398
-1.83768293 -26.23138803 11.30677734
0.00038194 0.00003193 -0.00000884
-0.01231299 0.00231372 0.01248575
-14.12048734 -4.55759012 -7.02528207
0.00025856 0.00023904 0.00009045
-0.00864646 -0.00398622 -0.00707954
-19.99777780 -12.57215235 -17.77644689
-0.00010989 -0.00031128 0.00014812
-0.00038087 -0.00241373 -0.00368352
22.73763849 3.61832703 3.01188138
0.00013931 -0.00014005 -0.00011141
-0.01629963 -0.01706158 0.01690220
17.76710822 -10.17908940 -14.35161758
0.00001957 -0.00034540 -0.00008638
-0.03511845 0.00667037 -0.01955747
-2.07280610 1.86743665 -7.05949023
0.00027442 -0.00012124 0.00021195
-0.01495471 -0.02141665 -0.01271175
-4.18835971 -3.04196711 -15.61668381
-0.00017359 0.00002863 0.00002969
-0.01934422 0.00103001 -0.01268344
13.34993679 17.25916509 -20.09917997
-0.00002699 0.00004471 0.00035122
0.01681618 -0.01620180 0.00955723
-16.25425160 16.05856436 -12.11812722
0.00056584 0.00007171 -0.00008442
-0.03711966 0.02713900 0.06971108
1.72515539 14.46593758 7.53809560
0.00060693 0.00056393 -0.00000987
0.03017255 -0.04877479 -0.01315840
-5.28433126 -9.63706811 2.16809121
-0.00017195 -0.00020788 0.00031253
-0.02382990 0.03359409 -0.02813810
3.09460198 -6.41403136 2.54940474
0.00008824 -0.00034505 0.00014901
-0.02401664 0.04345427 0.01543599
10.86537222 4.89365930 4.48100861
0.00013388 0.00010296 -0.00024081
-0.00804195 0.00198322 0.01277676
-8.53371849 -9.68292073 -2.73027212
0.00001196 0.00012549 -0.00030864
0.02451122 -0.02610942 0.00440138
3.16154105 -15.98587632 -13.20205904
-0.00002323 0.00013400 0.00002317
-0.03337916 0.04073738 -0.03545380
4.82993265 -8.44385647 -5.59027138
-0.00014118 0.00004174 0.00030040
0.01417581 0.03662270 -0.04264412
18.55246244 0.91454761 24.73632371
-0.00001726 0.00031687 -0.00020118
0.01475440 -0.02284339 0.00393838
-8.33728152 3.12843076 1.10676739
-0.00053641 -0.00010170 0.00019965
-0.00652402 0.00144187 0.00372825
-7.78837308 14.21666115 -10.51971942
0.00042595 0.00005659 0.00022300
0.01387800 0.00070666 0.03493606
1.69562417 11.38246985 -8.96735415
0.00005834 0.00005340 -0.00004570
0.01942372 0.02578642 -0.00330389
-11.76856499 10.04189574 -13.85767949
0.00024962 0.00024524 -0.00019027
-0.02056654 0.00135041 0.03027411
7.10514742 4.36163845 14.68156997
-0.00046606 0.00023621 -0.00004318
-0.00508227 -0.00747538 0.03518719
-14.69762539 9.25973254 -9.19108716
-0.00025488 -0.00034697 0.00046993
-0.00055690 0.03559510 0.00201180
8.50161938 8.29633765 -3.11380579
-0.00018065 -0.00015410 -0.00006712
0.03763965 0.00884945 0.04415295
13.71630665 -20.41927088 -25.78349509
0.00020939 -0.00012636 -0.00021236
0.01434829 0.00585420 0.01305302
6.30859059 6.53296020 2.62186558
-0.00013270 0.00037391 -0.00027400
-0.00627969 0.01898696 0.00840155
19.15377322 -5.76936095 -6.57506966
-0.00037767 0.00005048 -0.00026118
0.01181788 -0.01165758 -0.00837976
-1.69345305 0.02961877 -2.58633108
0.00004272 -0.00016317 -0.00024136
-0.01754858 0.00880033 -0.00124188
2.36895300 -1.88229492 -12.26113892
0.00006204 0.00005748 0.00036629
0.00525025 -0.02530281 0.00846328
20.41029897 9.36262737 -5.25710434
-0.00049596 0.00006561 -0.00000080
-0.03803313 0.00539554 -0.02304257
-7.48397380 6.45422385 9.45951150
-0.00011322 -0.00008361 0.00004833
-0.01280169 -0.00012151 -0.05652278
-2.66283165 -14.60838823 11.51364178
0.00022098 0.00003264 -0.00022247
0.02475710 0.02079759 0.00586762
8.12741824 0.37737791 -4.96772420
-0.00005248 -0.00025336 -0.00007772
0.00732496 -0.04221980 0.00519311
-0.05723485 -10.11367054 0.45170646
-0.00014990 -0.00027371 -0.00024206
-0.01169084 0.01396244 -0.02049097
-20.13101113 -1.36566881 4.76203591
-0.00022324 0.00037492 0.00001885
0.01008851 -0.01563271 0.02272745
-4.66102306 7.58466007 -23.55110316
0.00025846 0.00016230 -0.00027170
0.01798165 0.03250613 -0.02322799
2.57231146 2.34582438 -1.26576362
-0.00007512 0.00000888 0.00039551
-0.00139610 0.00421149 -0.00360703
15.53028176 7.50544721 4.66846348
-0.00003240 -0.00039215 -0.00008833
-0.01746476 -0.00680824 -0.04309929
-9.34020379 -4.73911760 7.50944961
-0.00085336 0.00046730 0.00029691
-0.01570821 0.00023057 0.00484812
-10.32556857 -3.73202566 5.05577640
0.00075915 -0.00010062 -0.00026855
-0.00201161 -0.00621807 -0.00783520
-12.86038018 4.72154108 8.65233898
0.00038072 0.00049197 -0.00065315
-0.00237514 0.00205545 0.00447443
-13.51810355 1.90052716 8.61163090
-0.00060884 -0.00044229 -0.00009119
-0.01218399 0.02113365 0.00913233
-15.16548748 1.70716013 5.00311501
-0.00132975 0.00112558 -0.00032928
0.02097354 0.00553462 0.02507834
-17.17676847 0.11190546 4.04265937
-0.00091581 -0.00012110 0.00029534
-0.01873024 -0.01004563 -0.00029234
3.00733072 -21.21797672 11.72714118
0.00058781 0.00056253 0.00067184
-0.00518650 -0.00646142 -0.00416127
3.57989431 -19.95994611 14.31598409
0.00093237 0.00067065 0.00094507
-0.00553032 0.00655558 -0.01357098
8.52663975 18.92746651 1.15422052
0.00010850 -0.00037468 0.00040211
0.01263557 -0.01741336 -0.01241018
8.44841816 21.48051737 1.93242201
0.00025048 -0.00016155 -0.00004246
0.01119884 0.02002287 0.00104242
-10.91850842 11.87854559 16.38439858
-0.00062443 -0.00111000 0.00020981
0.01326975 -0.00484003 0.01856445
-12.57122734 14.20816928 15.80209413
-0.00028567 0.00056754 0.00007562
0.00316858 -0.00727549 -0.00455203
-5.39676872 0.22047940 -13.23824678
0.00036857 0.00027880 0.00045878
0.00348951 -0.01142201 -0.00482875
-6.77506398 0.73124445 -10.64779045
0.00051076 0.00001545 -0.00168894
0.00634761 -0.00170190 -0.00397363
-6.82072700 6.40150338 -4.98099426
0.00005795 -0.00048857 -0.00001555
0.00866480 -0.01793901 0.01313872
-9.16911531 7.90061677 -5.43062855
-0.00032260 0.00050064 0.00017052
0.00928345 -0.00082428 -0.00456716
-8.48604182 -3.32491501 19.10088479
0.00027002 0.00109927 0.00072793
0.00473372 0.00176985 -0.00747340
-7.79543780 -6.03298063 18.52893909
-0.00040817 -0.00052350 -0.00001857
-0.00380266 -0.00904796 0.00140192
-23.22393737 -3.33935827 -23.35813009
-0.00044968 -0.00082511 -0.00017984
-0.00890730 -0.02143983 -0.00096421
-23.06735007 -4.67872529 -20.87371973
0.00039624 -0.00113188 -0.00014197
-0.00333919 -0.00209825 0.01292816
6.62483027 13.32521447 4.28003842
0.00022052 0.00000895 -0.00010253
0.01440944 -0.01045544 0.01657581
8.07081207 11.79344477 6.49705768
0.00027586 0.00038439 0.00025907
0.02920709 -0.01748409 -0.00181665
24.76320994 28.77699475 -2.24338570
0.00055059 0.00045849 -0.00050822
-0.00228210 -0.01817011 0.01290131
23.98788382 31.60061530 -1.68527401
0.00015827 0.00063552 0.00049129
-0.00250574 -0.00222324 0.00397207
9.43906199 -2.26123428 -14.87762601
-0.00012256 0.00010602 -0.00104591
-0.00865647 0.00150696 0.00728146
7.88292170 -1.11525327 -12.61355864
0.00069253 -0.00158166 -0.00058322
-0.00339120 -0.00953800 -0.03658756
-7.40956783 -0.08241628 15.95690106
-0.00067604 0.00022686 0.00009637
-0.01573949 0.00484086 0.03301486
-8.50216783 -2.18766390 13.94366595
-0.00134193 -0.00029846 -0.00006936
-0.00779572 -0.00153210 0.02129976
-2.66906448 -26.66005873 12.97707145
-0.00022248 0.00012032 -0.00062339
0.01562527 0.00076565 -0.01579857
-3.16470921 -25.89561227 10.09693755
-0.00057247 0.00008118 0.00013553
0.00116956 -0.00121816 -0.00471984
-14.39903868 -2.89478212 -6.28576188
-0.00121521 0.00012137 0.00031725
0.00394139 0.00477269 0.00086784
-14.90581108 -4.55894578 -8.69080371
0.00051743 -0.00030309 0.00006296
0.00440289 -0.00140919 0.00056043
-19.26219494 -11.19230125 -16.77354504
0.00008737 0.00134729 0.00029280
0.01024130 -0.01804000 -0.01116189
-18.67153344 -13.75913698 -18.37890967
0.00099730 0.00085884 0.00025676
-0.00124342 0.01982013 0.01499258
23.68043716 3.15838992 1.44748132
0.00127161 0.00038823 0.00079047
0.00295286 0.02396151 0.00231918
22.85106651 5.18049291 3.95828190
-0.00013418 -0.00017965 0.00001342
0.01051573 -0.00301855 -0.01631870
16.21449251 -9.93148354 -13.32927376
-0.00114317 -0.00037950 0.00058112
0.01740487 0.00163314 -0.00217766
17.08787193 -9.85241087 -16.09495066
-0.00079652 -0.00070686 -0.00014974
0.01853649 -0.00288618 0.02257127
-0.59414850 2.28674674 -8.02917488
0.00022026 -0.00055399 -0.00012356
0.01907922 0.01034379 -0.00291525
-2.25548345 0.11091376 -7.63750504
0.00030619 -0.00093122 0.00133573
-0.00973053 0.01354944 0.00611561
-5.68079652 -3.42396562 -16.66849403
-0.00022987 -0.00116992 -0.00057934
0.01663550 -0.00082921 0.01115992
-3.38804878 -1.75132675 -16.64754611
-0.00084186 0.00052332 0.00017233
0.00173110 0.00331638 -0.00328141
12.86737792 18.86405699 -20.81829622
-0.00052349 0.00065572 0.00070378
-0.01448844 -0.00480143 -0.00377949
11.91411678 16.07402162 -20.10659233
0.00039243 0.00030286 0.00023610
0.00414706 0.01771548 -0.00863424
-15.37707266 15.61867312 -13.52860843
0.00010935 0.00057025 -0.00024403
0.03879957 -0.01841360 -0.05898415
-17.81922578 15.13628274 -12.34057528
-0.00023166 -0.00035139 0.00085547
-0.00140933 -0.00709091 -0.00129420
2.77082929 15.03339144 6.12228261
-0.00009307 -0.00067641 -0.00078474
-0.01268392 0.00612879 0.00414435
0.70175711 15.67516716 8.25936003
0.00026091 -0.00053987 -0.00006841
-0.02900633 0.04069445 0.00967196
-6.16944873 -8.26346055 1.10566643
0.00046376 0.00079956 -0.00048931
0.02050969 -0.03302210 0.03270439
-3.52867580 -9.44915829 1.66231269
-0.00031996 -0.00082267 0.00002700
0.00807574 -0.00465226 0.00109553
2.31961385 -4.63094232 2.86985131
-0.00072749 0.00087717 0.00055819
0.03609189 -0.04355988 -0.00946097
4.48865834 -6.36639609 1.33923261
-0.00002416 -0.00115143 0.00016529
-0.00141205 0.00653707 0.00407932
9.22418643 5.72650665 4.28562237
-0.00082691 0.00019320 -0.00052235
0.00740962 0.00132284 -0.00808708
12.12413608 6.21467819 4.74395280
-0.00037026 0.00024644 0.00001868
0.00303581 0.00019972 -0.00135933
-7.36230256 -11.17233212 -2.30212180
0.00091482 0.00022712 -0.00098549
-0.03486364 0.03430733 -0.00628573
-9.77493611 -9.36594885 -1.40543893
-0.00017031 0.00085823 -0.00020179
0.00536606 -0.00788725 -0.00113537
4.49639671 -16.58159827 -14.19706278
-0.00057512 0.00032741 0.00064401
0.02313855 -0.00937920 -0.00970151
3.31784030 -16.74670777 -11.64810777
0.00221605 -0.00106072 -0.00040929
0.00409626 -0.02734396 0.04573222
5.84277054 -6.86500661 -6.04062460
-0.00025560 0.00019672 0.00063447
-0.01587524 -0.02553052 0.00234926
4.96352296 -8.35935508 -3.83816133
0.00040094 0.00121482 0.00034136
-0.00103679 -0.00659857 0.04144866
16.80005179 1.37710121 24.55732606
-0.00027013 0.00006326 0.00048068
0.00004776 0.01984665 -0.00071963
19.82905342 2.27373990 24.92641356
0.00049933 0.00005044 -0.00127892
-0.01725708 0.00142962 -0.00148196
-9.79299837 3.33580332 2.33695379
-0.00002562 0.00143961 0.00019339
0.01711273 0.00838661 -0.01404810
-7.64126973 4.80980075 0.80155039
0.00057964 -0.00027581 0.00014852
-0.00195839 -0.00671046 0.00884440
-6.41320806 14.47126042 -9.21851898
0.00020601 -0.00077737 0.00035721
-0.02804414 -0.00380931 -0.02541937
-9.30715411 13.80322758 -9.48984729
-0.00044771 -0.00042890 0.00070726
0.01529009 0.00174106 -0.01049107
0.10502367 10.88903105 -8.22568420
0.00025296 -0.00004911 0.00078144
0.00681043 0.00582828 0.01416624
2.62536309 12.67749394 -7.86391307
0.00034665 -0.00028683 0.00051076
-0.02408158 -0.03245825 -0.01134314
-10.33194652 8.94568833 -13.71714389
0.00098260 0.00001968 -0.00034871
0.00919325 -0.00521535 0.00013577
-12.61199122 9.89016666 -12.13930518
-0.00079781 0.00028439 0.00072880
0.00945658 -0.00034419 -0.02696235
7.18667728 6.09742747 15.31639096
0.00032526 0.00091134 0.00007509
0.00159776 -0.01250474 -0.03498547
7.17848158 4.06396122 12.88535174
-0.00019728 0.00018358 0.00019779
0.00815468 0.01999295 -0.00751205
-13.91751949 10.84415799 -8.34613330
0.00070278 -0.00030265 -0.00057077
-0.00899032 -0.03063771 -0.00955908
-16.32652534 9.89868545 -9.78524296
-0.00026412 0.00064218 -0.00090514
0.00469822 -0.00975580 0.00431204
8.62315287 9.86188309 -2.07541632
-0.00068949 -0.00001501 -0.00061093
-0.00689549 -0.01816824 -0.01991565
7.16893528 8.50169836 -4.23892600
0.00195629 -0.00062532 -0.00066368
-0.03169869 0.01622032 -0.01812406
12.14710974 -20.35383701 -26.65242053
-0.00057701 0.00053181 0.00007392
-0.01488722 0.00269574 -0.00060459
13.51456658 -19.74880111 -24.00099713
0.00062312 -0.00049713 0.00029706
-0.00115116 -0.01238052 -0.01544606
5.67027860 4.82034481 2.75795668
-0.00022818 -0.00121513 -0.00001242
0.00059660 -0.00632191 -0.01534476
6.31350295 7.22329386 0.91648317
0.00014643 0.00075417 0.00035721
0.00152639 -0.01577167 0.00427669
20.52924906 -6.53540633 -5.65766023
0.00056661 -0.00006169 0.00008892
-0.00306824 0.00055501 0.00018915
17.89306336 -5.25838319 -5.40350059
0.00011232 -0.00053085 -0.00056709
-0.01572015 0.01122098 0.01565381
-2.96169458 0.19165672 -1.25462326
0.00133337 0.00058905 -0.00053645
0.00925975 0.00161094 0.00192730
-2.38661426 1.04290310 -4.03123296
-0.00098663 -0.00013351 0.00046355
0.01501017 -0.01259957 0.00735978
3.57764069 -3.37824049 -12.10797238
-0.00024852 0.00077886 -0.00021233
-0.02144989 0.02801280 -0.00354069
0.66456317 -2.37123098 -11.46420821
-0.00112341 -0.00040739 0.00019354
0.02703486 -0.00474483 -0.01335009
19.82448701 8.27796078 -6.62991703
-0.00212411 -0.00023072 -0.00066829
-0.00029742 0.00582060 0.00493374
21.92782243 8.59673834 -4.72440277
-0.00025865 -0.00001365 -0.00015631
0.03489372 -0.01045729 0.01245000
-7.55565910 4.69405389 8.89806842
0.00030098 -0.00009362 -0.00007170
0.00431758 -0.00010746 0.00233917
-7.44408249 6.25573119 11.17382603
-0.00056227 -0.00011965 0.00036376
-0.00083268 -0.00233623 0.06159323
-3.00151652 -16.37023393 11.60814161
-0.00027360 0.00005852 -0.00090367
-0.01287982 -0.00959913 -0.00036943
-4.12519580 -13.57093917 11.75803034
-0.00014091 0.00026411 -0.00019130
-0.01125624 -0.01157019 -0.00154182
8.31305051 0.42980114 -3.18903675
0.00062580 0.00070938 0.00089924
0.00327405 -0.00406288 0.01835262
7.76337868 2.03649140 -5.51104045
0.00041022 -0.00044879 -0.00013554
-0.00944942 0.03505166 -0.02078696
1.23971053 -10.65316819 1.59857156
0.00002754 -0.00000045 -0.00041318
0.00197667 -0.00202965 0.01771509
0.18311183 -8.27962867 0.19446982
-0.00035773 -0.00011606 0.00072279
0.00189654 -0.01704023 -0.00045504
-19.99194603 -1.33344159 6.67349016
-0.00061631 0.00020230 -0.00033785
-0.00222486 -0.00724173 -0.01626134
-21.01170426 0.14962701 4.35473444
-0.00018785 -0.00064476 0.00070498
-0.01067664 0.01884611 -0.00528841
-3.69941051 8.47297411 -24.97026679
-0.00087307 0.00008183 0.00049498
-0.01103355 -0.03153139 -0.00035210
-4.39893731 9.07626536 -22.55266123
-0.00016897 -0.00034844 -0.00058560
-0.00672131 -0.00137989 0.03047283
3.71666680 0.99306054 -0.92852310
0.00071228 -0.00039821 0.00012981
0.00884619 -0.00419455 -0.00030287
1.10550241 1.52918651 -2.08797611
0.00091971 -0.00195782 0.00078218
-0.00498068 -0.00087655 0.00442083
16.02028189 7.46674376 6.36969294
-0.00067143 0.00001650 0.00028678
0.01028782 0.01063357 0.02945284
15.80821227 9.13011446 3.88431093
0.00028857 0.00096786 -0.00077300
0.00426509 0.00035410 0.00698141
-0.35050864 -11.81617589 -13.31297891
0.00003667 -0.00000165 0.00024154
0.00959255 -0.00203745 -0.00169024
-13.93634789 14.50948138 22.15943105
-0.00001505 -0.00011323 0.00014811
-0.00032651 -0.00382045 0.00042472
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02632187
0.33232713
442.80923800
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1375662520
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3661285568 (a.u.)
total exchange computation time: 2.6961331367 s
-154.0368890886
-931.35476497
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1375662520
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3655675820 (a.u.)
total exchange computation time: 2.6944029331 s
-154.0419755076
Anderson extrapolation: theta=1.4340151209 (1.4340151209)
-931.35503326
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1375662520
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3646280960 (a.u.)
total exchange computation time: 2.6984951496 s
-154.0499186488
Anderson extrapolation: theta=0.0861165629 (0.0861165629)
-931.35521747
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1375662520
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3644426973 (a.u.)
total exchange computation time: 2.6959490776 s
-154.0511377886
Anderson extrapolation: theta=2.6684368464 (2.0000000000)
-931.35523292
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1375662520
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3640387260 (a.u.)
total exchange computation time: 2.6969280243 s
-154.0536372343
Anderson extrapolation: theta=0.6191259882 (0.6191259882)
-931.35525665
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1375662520
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3638012735 (a.u.)
total exchange computation time: 2.6957461834 s
-154.0549628757
Anderson extrapolation: theta=0.6600030194 (0.6600030194)
-931.35526603
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1375662520
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3636798159 (a.u.)
total exchange computation time: 2.6995668411 s
-154.0554978755
Anderson extrapolation: theta=0.7464501175 (0.7464501175)
-931.35527049
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1375662520
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3636288994 (a.u.)
total exchange computation time: 2.6962699890 s
-154.0555657827
Anderson extrapolation: theta=0.4986332048 (0.4986332048)
-931.35527256
-208.717762 50.684533 -160.189572
-133.824183 460.252167 -799.571592
-342.541946 510.936700 -959.761163
1139.970520
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1375662520
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3636351210 (a.u.)
total exchange computation time: 2.6987857819 s
678.95935081
-1083.68146602
89.66754121
-389.13109280
-174.80597131
78.21213603
551.60419304
0.00000000
-931.35527322
-10.93274670 -4.24271557 6.71240238
-0.00000057 -0.00010631 0.00000352
0.02672960 -0.00660907 -0.00272998
-14.06829759 3.56038257 9.37705616
0.00028884 0.00016251 -0.00022480
0.01519846 -0.01551419 -0.01555959
-15.96251124 1.34730720 3.46033916
0.00020280 0.00022324 -0.00008803
-0.01179592 -0.00039181 -0.02983861
2.50923608 -19.82583809 12.80649010
0.00016792 -0.00011716 -0.00017559
0.01149024 0.00801269 0.02880665
9.63865577 20.38026153 1.04441216
-0.00002280 -0.00000261 0.00043202
-0.02567830 0.00131239 0.00403444
-12.00493372 12.57305537 15.13860623
-0.00032441 -0.00012614 0.00013600
-0.00205548 0.03056588 -0.00987916
-6.26838452 1.47079059 -12.29201413
0.00014522 -0.00019838 -0.00023790
-0.01018792 0.01845355 0.00328399
-7.39723977 7.79637376 -5.93270127
-0.00002440 -0.00003538 -0.00017901
-0.02364166 0.01217925 -0.01358724
-7.70258463 -4.35881727 17.80458853
-0.00011034 0.00013403 -0.00016654
-0.00444178 -0.00721725 0.02056337
-23.50551749 -5.04048152 -22.58653587
-0.00013866 -0.00020311 -0.00021091
0.00219444 0.02296039 -0.01568838
6.64230998 12.76184661 6.05547056
-0.00009261 -0.00001293 -0.00001073
-0.03803447 0.02753883 -0.01933179
24.71322937 30.43534297 -2.90398714
0.00016621 0.00010349 -0.00018684
0.00196139 0.02610672 -0.01128035
7.91766838 -1.18045977 -14.51382281
-0.00003103 0.00038900 -0.00016229
0.00279769 0.01102774 0.03984937
-7.29262816 -0.93632888 14.40901021
-0.00010160 0.00008767 -0.00008595
0.02072035 -0.00248990 -0.06644390
-1.83200126 -26.23090020 11.30669290
0.00037516 0.00003347 -0.00000380
-0.01407939 0.00370415 0.00711262
-14.11664227 -4.55401986 -7.02395264
0.00025410 0.00023727 0.00008718
-0.00868685 -0.00289394 -0.00564368
-19.99942770 -12.57683087 -17.77423926
-0.00010905 -0.00031065 0.00014748
0.00364793 0.00488552 0.00119226
22.73966526 3.61616041 3.01027539
0.00013076 -0.00014862 -0.00010239
-0.01693250 -0.01625611 0.01817016
17.76726637 -10.18424463 -14.35298877
-0.00000040 -0.00034168 -0.00009564
-0.04254515 0.00778648 -0.01642899
-2.06874744 1.86553543 -7.05635996
0.00026671 -0.00013288 0.00020514
-0.01502204 -0.02383752 -0.01376870
-4.19103817 -3.04153370 -15.61628740
-0.00018433 0.00002884 0.00002263
-0.02244120 -0.00022001 -0.01476143
13.34959684 17.25977331 -20.09387474
-0.00001793 0.00003788 0.00035575
0.01842104 -0.01037346 0.00804000
-16.24590718 16.05974470 -12.11912468
0.00054556 0.00008502 -0.00004827
-0.04174438 0.02461563 0.07089187
1.73437574 14.47420844 7.53789682
0.00062307 0.00053747 -0.00001678
0.03258092 -0.05413852 -0.01371681
-5.28700245 -9.64005676 2.17267056
-0.00018469 -0.00018984 0.00029744
-0.02570573 0.03657542 -0.03051374
3.09583289 -6.41903943 2.55169942
0.00007491 -0.00032154 0.00015750
-0.02780980 0.04796453 0.01758191
10.86734946 4.89521133 4.47744568
0.00012807 0.00010443 -0.00023441
-0.01458240 0.00373898 0.01211709
-8.53344460 -9.68113907 -2.73488472
0.00002444 0.00011215 -0.00030627
0.02404709 -0.02577748 0.00480045
3.16106384 -15.98370926 -13.20184831
-0.00004148 0.00015472 0.00000743
-0.03758115 0.03986410 -0.02575492
4.82786956 -8.44308916 -5.58592983
-0.00013378 0.00006071 0.00027925
0.01462981 0.03715701 -0.03961318
18.55226042 0.91921248 24.73332114
-0.00000985 0.00030509 -0.00019921
0.01406718 -0.02294725 0.00372507
-8.34535279 3.12691083 1.10977649
-0.00053909 -0.00010042 0.00020116
-0.00390390 0.00354235 0.00216186
-7.78193035 14.21751269 -10.51623967
0.00043146 0.00005640 0.00024161
0.00757329 -0.00142331 0.03744470
1.69657412 11.38337037 -8.96805236
0.00006805 0.00006674 -0.00004698
0.01836147 0.02606504 -0.00166569
-11.76490001 10.04557950 -13.86041670
0.00023934 0.00024512 -0.00017334
-0.01940599 -0.00178505 0.03554268
7.09813695 4.36515274 14.68105793
-0.00046863 0.00023343 -0.00002422
-0.00491776 -0.00333546 0.03855461
-14.70145077 9.25466536 -9.18403045
-0.00025620 -0.00032823 0.00047020
-0.00458024 0.03724778 -0.00097868
8.49905482 8.29406023 -3.11464230
-0.00015904 -0.00015016 -0.00004250
0.04640978 0.00648878 0.05158671
13.71950282 -20.42114375 -25.78663016
0.00021561 -0.00012318 -0.00020587
0.00983431 0.00654363 0.01217910
6.30657591 6.53864216 2.61778798
-0.00013675 0.00038086 -0.00026843
-0.00950149 0.00800530 0.01326200
19.14815378 -5.76864869 -6.57901976
-0.00036912 0.00004329 -0.00026556
0.02140543 -0.01632674 -0.00864716
-1.69288000 0.02720511 -2.58995631
0.00003481 -0.00015886 -0.00024314
-0.01321628 0.00797573 -0.00565270
2.36990382 -1.88153034 -12.25561197
0.00006327 0.00004516 0.00037064
-0.00044825 -0.02262104 0.00848246
20.40271294 9.36363227 -5.25720523
-0.00051582 0.00006725 -0.00001401
-0.03922158 0.00101675 -0.02832103
-7.48572142 6.45296921 9.46001842
-0.00011970 -0.00008382 0.00002040
-0.01241516 -0.00069637 -0.05207843
-2.65942150 -14.60781835 11.51032730
0.00023288 0.00004370 -0.00021923
0.02151733 0.02219388 0.00675038
8.12665926 0.37341470 -4.96886994
-0.00004842 -0.00027526 -0.00007248
0.00847172 -0.04295864 0.01518548
-0.05952844 -10.11772240 0.44799657
-0.00015586 -0.00026647 -0.00025251
-0.01148995 0.01419546 -0.02016523
-20.13432077 -1.36010537 4.76240631
-0.00021700 0.00036513 0.00003056
0.01418328 -0.02243034 0.02279869
-4.65707673 7.58722002 -23.55526832
0.00026670 0.00017746 -0.00028320
0.01404894 0.02644268 -0.02149231
2.57117928 2.34597377 -1.25984496
-0.00007458 0.00000936 0.00039387
0.00348545 -0.00233332 -0.00273941
15.52972835 7.49953875 4.66697222
-0.00004076 -0.00039311 -0.00011130
-0.01501854 0.00305273 -0.04619074
-9.35348552 -4.73210105 7.51405186
-0.00090762 0.00046510 0.00032200
-0.01085157 -0.00130518 0.00743115
-10.31424297 -3.73372546 5.05150805
0.00074835 -0.00012828 -0.00029402
-0.00327438 -0.00732121 -0.00463211
-12.85474212 4.72898363 8.64267882
0.00036689 0.00049449 -0.00063276
-0.00439789 -0.00082319 0.00550810
-13.52760946 1.89454036 8.61054288
-0.00065773 -0.00035380 -0.00005405
-0.01175038 0.02218283 0.00904918
-15.18479099 1.72421349 4.99894435
-0.00123843 0.00115106 -0.00021564
0.02372810 0.00693592 0.03054809
-17.19107960 0.10978112 4.04708045
-0.00098138 -0.00015126 0.00028885
-0.01336411 -0.00471584 -0.00288460
3.01598898 -21.20973676 11.73709130
0.00057027 0.00052558 0.00064724
-0.00340043 -0.01162854 -0.00788125
3.59371033 -19.94968554 14.32974423
0.00089966 0.00069833 0.00087513
-0.01048013 0.00699725 -0.02066321
8.52865438 18.92131271 1.15987195
0.00016188 -0.00044259 0.00035145
0.01349482 -0.01582800 -0.01239227
8.45251860 21.47870770 1.93181701
0.00029203 -0.00007618 -0.00003471
0.00913643 0.02176692 0.00275353
-10.92746828 11.86174730 16.38811462
-0.00057368 -0.00112615 0.00028255
0.01157563 -0.00306641 0.01704020
-12.57541532 14.21645940 15.80308900
-0.00026984 0.00053069 0.00005526
0.00457978 -0.01076366 -0.00541563
-5.39113322 0.22431135 -13.23151311
0.00038787 0.00022610 0.00043278
0.00595882 -0.01437210 -0.00789484
-6.76720805 0.73142403 -10.67324631
0.00053076 0.00000241 -0.00168778
0.00343948 -0.00468049 0.00453982
-6.81959230 6.39362510 -4.98082484
0.00008948 -0.00055486 0.00003338
0.00676995 -0.01451126 0.01081090
-9.17366984 7.90810118 -5.42821075
-0.00027875 0.00049600 0.00015077
0.01218126 -0.00144842 -0.00509952
-8.48184648 -3.30837176 19.11157472
0.00029554 0.00109670 0.00068703
0.00775713 -0.00302585 -0.01254564
-7.80167690 -6.04111037 18.52870344
-0.00042356 -0.00055003 -0.00001619
-0.00372817 -0.00394091 -0.00023531
-23.23095548 -3.35239188 -23.36085723
-0.00048469 -0.00090529 -0.00018558
-0.00823014 -0.01780740 -0.00184532
-23.06150875 -4.69576779 -20.87545315
0.00038258 -0.00113948 -0.00009071
-0.00334879 -0.00162166 0.01216325
6.62857969 13.32502828 4.27900847
0.00027933 -0.00003389 -0.00003394
0.01437403 -0.01051125 0.01699800
8.07584490 11.79867480 6.50088806
0.00039260 0.00031477 0.00025103
0.02793827 -0.01659567 -0.00211794
24.77139882 28.78331527 -2.25061362
0.00054131 0.00037746 -0.00045239
-0.00225987 -0.02149184 0.01442455
23.99018114 31.61008001 -1.67778289
0.00015246 0.00061838 0.00049941
-0.00034070 -0.00616643 0.00000265
9.43695828 -2.25959785 -14.89309150
-0.00015993 0.00011392 -0.00101626
-0.00963587 0.00236228 0.00722939
7.89320579 -1.13927050 -12.62342815
0.00067733 -0.00161877 -0.00072569
-0.00405051 -0.00862649 -0.03315229
-7.42019073 -0.07886499 15.95935826
-0.00073979 0.00024433 0.00022614
-0.01546598 0.00370699 0.03050890
-8.52253567 -2.19218774 13.94327816
-0.00136116 -0.00029195 0.00002161
-0.00161712 0.00471739 0.02323419
-2.67192295 -26.65823045 12.96723647
-0.00015854 0.00012302 -0.00068256
0.01567604 0.00055484 -0.01316491
-3.17326043 -25.89443185 10.09882591
-0.00056023 0.00007498 0.00012028
0.00482022 -0.00182067 -0.00274614
-14.41714611 -2.89281527 -6.28097655
-0.00119789 0.00013802 0.00031921
0.00453663 0.00337650 0.00009265
-14.89791470 -4.56353525 -8.68984215
0.00053442 -0.00030869 0.00006384
0.00391288 -0.00133332 -0.00012966
-19.26057055 -11.17264463 -16.76949507
0.00012144 0.00126010 0.00023798
0.00643696 -0.02464303 -0.01567201
-18.65661201 -13.74564697 -18.37459887
0.00099148 0.00093807 0.00031731
-0.00160520 0.01896180 0.01464828
23.69960181 3.16494758 1.45940941
0.00128388 0.00048444 0.00079714
0.00305398 0.02313393 0.00094891
22.84937597 5.17770566 3.95798309
-0.00009114 -0.00019183 -0.00005261
0.01055344 -0.00294497 -0.01599984
16.19787824 -9.93712601 -13.32062373
-0.00105869 -0.00037449 0.00056391
0.02395142 0.00082173 -0.00624641
17.07649211 -9.86310226 -16.09650516
-0.00071916 -0.00071875 -0.00005526
0.01933121 -0.00293387 0.02367949
-0.59025991 2.27875386 -8.03111759
0.00029704 -0.00051237 -0.00013516
0.01850557 0.01002803 -0.00276245
-2.25118883 0.09736069 -7.61728174
0.00026754 -0.00087013 0.00136157
-0.00918574 0.01635448 0.00653631
-5.68373486 -3.44153984 -16.67684208
-0.00015545 -0.00117102 -0.00052923
0.01979446 0.00029018 0.01336757
-3.40062363 -1.74337537 -16.64506177
-0.00083488 0.00053710 0.00015841
0.00168437 0.00342999 -0.00353017
12.85908156 18.87374562 -20.80785538
-0.00058032 0.00062915 0.00069117
-0.01332804 -0.00820226 -0.00239144
11.92013027 16.07910731 -20.10331542
0.00040402 0.00037036 0.00020116
0.00152582 0.01532684 -0.00846835
-15.37424341 15.62666262 -13.53407637
0.00026654 0.00049426 -0.00048640
0.03814225 -0.01878263 -0.05965476
-17.82274390 15.13079455 -12.32778287
-0.00022627 -0.00037395 0.00084964
0.00404903 -0.00395135 -0.00155999
2.76904451 15.02343316 6.11063845
-0.00014369 -0.00064827 -0.00076929
-0.01209334 0.00764199 0.00342299
0.70478184 15.66831611 8.25863030
0.00013632 -0.00036605 -0.00002591
-0.03197707 0.04439292 0.01112974
-6.16186381 -8.25247905 1.09932895
0.00054903 0.00065900 -0.00035126
0.02122949 -0.03578296 0.03487295
-3.53322768 -9.46164087 1.66275126
-0.00028493 -0.00084202 0.00003162
0.00907071 -0.00482119 0.00116486
2.30980740 -4.61911957 2.87793417
-0.00057404 0.00068917 0.00051697
0.03902633 -0.04846797 -0.01071287
4.48825270 -6.38346721 1.34183691
-0.00002862 -0.00112289 0.00018050
-0.00077106 0.00743114 0.00336575
9.21200986 5.72944518 4.27753929
-0.00078588 0.00019357 -0.00055433
0.01267427 -0.00114164 -0.00756715
12.11867515 6.21838093 4.74419139
-0.00035601 0.00024950 0.00001351
0.00394240 0.00129700 -0.00117294
-7.34964864 -11.16787404 -2.31709672
0.00076925 0.00036878 -0.00100948
-0.03639163 0.03503620 -0.00545858
-9.77732632 -9.35331714 -1.40850064
-0.00014451 0.00082353 -0.00020881
0.00726361 -0.00909450 -0.00230012
4.48847889 -16.57697451 -14.18769993
-0.00046904 0.00028584 0.00059139
0.02879251 -0.01097232 -0.01605704
3.35120656 -16.76345648 -11.65284575
0.00222946 -0.00116692 -0.00022960
0.00246610 -0.02464230 0.04223003
5.83845004 -6.86283820 -6.03103549
-0.00031991 0.00009301 0.00064096
-0.01560588 -0.02523419 0.00082503
4.96950531 -8.34133496 -3.83177081
0.00039555 0.00118632 0.00050727
-0.00160154 -0.00735235 0.03976571
16.79600124 1.37865823 24.56451423
-0.00026753 0.00014429 0.00047748
0.00122936 0.01981842 -0.00084730
19.83601450 2.27454031 24.90718431
0.00042806 0.00005669 -0.00128403
-0.01762872 0.00163034 -0.00101972
-9.79285832 3.35765453 2.33942419
0.00004065 0.00147229 0.00013848
0.01532798 0.00760978 -0.01282961
-7.63263518 4.80545797 0.80404919
0.00057045 -0.00030672 0.00018466
-0.00253960 -0.00842007 0.00884746
-6.41097726 14.45948312 -9.21393979
0.00009392 -0.00079189 0.00025542
-0.02682365 -0.00329722 -0.02440656
-9.31340125 13.79684746 -9.47955983
-0.00037503 -0.00041886 0.00065754
0.02028575 0.00317113 -0.01384872
0.10902675 10.88847297 -8.21352855
0.00028278 -0.00002564 0.00083779
0.00778836 0.00566133 0.01342090
2.62982496 12.67219691 -7.85659930
0.00024799 -0.00041978 0.00046272
-0.02421386 -0.03262272 -0.01217053
-10.31692576 8.94582372 -13.72237039
0.00100997 0.00000504 -0.00034727
0.00420429 -0.00195036 0.00057071
-12.62366854 9.89442198 -12.12919935
-0.00075174 0.00028229 0.00060764
0.01309512 -0.00068513 -0.03234759
7.19160519 6.11071446 15.31644529
0.00033072 0.00085111 -0.00007135
0.00107171 -0.01698217 -0.03669704
7.17577228 4.06732763 12.88808842
-0.00016333 0.00026478 0.00016373
0.00846485 0.01975210 -0.00916160
-13.90725322 10.83867934 -8.35498784
0.00066489 -0.00042619 -0.00060816
-0.00956077 -0.02983222 -0.00874343
-16.33034313 9.90801921 -9.79868791
-0.00023556 0.00059843 -0.00088287
0.00928276 -0.01166028 0.00658916
8.61259928 9.86110118 -2.08519050
-0.00071698 -0.00008685 -0.00069030
-0.00656404 -0.01699465 -0.01893685
7.19730832 8.49281558 -4.24943657
0.00180872 -0.00055623 -0.00075453
-0.04053925 0.01760092 -0.02634579
12.13799841 -20.34577723 -26.65133023
-0.00062836 0.00054230 0.00007640
-0.01024763 0.00243698 0.00181707
13.52387806 -19.75663746 -23.99701454
0.00061800 -0.00054800 0.00023175
-0.00135182 -0.01251749 -0.01652546
5.66687419 4.80192411 2.75730018
-0.00021825 -0.00122055 -0.00007751
0.00426445 0.00366736 -0.01651610
6.31574624 7.23412308 0.92197239
0.00015224 0.00069123 0.00036758
0.00131484 -0.01503699 0.00079669
20.53765424 -6.53631471 -5.65632067
0.00054284 -0.00005340 0.00008236
-0.00856770 0.00350585 -0.00339836
17.89426641 -5.26600204 -5.41152732
0.00003982 -0.00048176 -0.00049529
-0.01976651 0.01280506 0.01949706
-2.94141029 0.20054186 -1.26261098
0.00136080 0.00059552 -0.00051614
0.00416524 0.00155606 0.00801501
-2.40095378 1.04051430 -4.02405420
-0.00092353 -0.00018384 0.00049135
0.01587989 -0.01203512 0.00624993
3.57325566 -3.36569916 -12.11126588
-0.00033165 0.00088605 -0.00022541
-0.01924709 0.02445409 -0.00286067
0.64854038 -2.37748717 -11.46171418
-0.00100983 -0.00042500 0.00013822
0.02856530 -0.00387669 -0.01373225
19.79261625 8.27467837 -6.63979023
-0.00211726 -0.00019806 -0.00063516
0.00365056 0.01016458 0.01128703
21.92501193 8.59621310 -4.72636595
-0.00012082 -0.00005587 -0.00010828
0.03257497 -0.01020964 0.01106088
-7.55101208 4.69264627 8.89706462
0.00031838 -0.00009369 -0.00006178
0.00419774 0.00007284 0.00251580
-7.45254201 6.25386478 11.18116991
-0.00056641 -0.00012830 0.00060570
-0.00119603 -0.00189506 0.05683659
-3.00601525 -16.36965021 11.59457517
-0.00032563 0.00002017 -0.00090539
-0.01258675 -0.00917808 -0.00046848
-4.12765431 -13.56733206 11.75511357
-0.00018097 0.00021316 -0.00019903
-0.00835436 -0.01336813 -0.00224221
8.32253778 0.44031739 -3.17498584
0.00063719 0.00069182 0.00095512
0.00230106 -0.00453608 0.00900503
7.76924240 2.03083368 -5.51371054
0.00037083 -0.00030273 -0.00022163
-0.00982929 0.03644607 -0.02135402
1.24018426 -10.65323713 1.59291668
0.00003568 -0.00000996 -0.00034011
0.00200424 -0.00262474 0.01805450
0.17780398 -8.28189170 0.20529767
-0.00035020 -0.00018529 0.00071945
0.00179148 -0.01685176 -0.00117704
-20.00125882 -1.33062893 6.66792411
-0.00062397 0.00017171 -0.00039866
-0.00152848 -0.00773503 -0.01350755
-21.01484914 0.14053315 4.36514709
-0.00024046 -0.00055349 0.00067809
-0.01507691 0.02583187 -0.00787703
-3.71284465 8.47323535 -24.96285285
-0.00091112 -0.00004272 0.00048325
-0.00759393 -0.02943760 -0.00538894
-4.40167775 9.07099646 -22.56051143
-0.00019529 -0.00034617 -0.00045394
-0.00616619 0.00249183 0.03397537
3.72762213 0.98695879 -0.92658521
0.00074221 -0.00040458 0.00012724
0.00580414 0.00107807 -0.00095453
1.11914541 1.49979228 -2.07610800
0.00089629 -0.00195833 0.00079876
-0.00648502 0.00062755 0.00369758
16.01052573 7.46731717 6.37489712
-0.00063047 0.00006061 0.00040285
0.00976281 0.01095773 0.02736486
15.81267145 9.14464328 3.87292979
0.00030226 0.00094880 -0.00073448
0.00243990 -0.00968713 0.01187895
-0.34993288 -11.81620612 -13.30936042
0.00004012 -0.00000238 0.00024092
0.00970333 -0.00206484 -0.00177520
-13.93657422 14.50777627 22.16165342
-0.00001513 -0.00011411 0.00014820
-0.00037496 -0.00375330 0.00034778
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02797651
0.32729671
436.10645669
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1372201190
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3478377452 (a.u.)
total exchange computation time: 2.8069119453 s
-153.9809065017
-931.34949151
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1372201190
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3476125774 (a.u.)
total exchange computation time: 2.8091230392 s
-153.9841165458
Anderson extrapolation: theta=1.4332781517 (1.4332781517)
-931.34976967
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1372201190
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3472716646 (a.u.)
total exchange computation time: 2.8091819286 s
-153.9888733423
Anderson extrapolation: theta=0.0866470563 (0.0866470563)
-931.34996054
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1372201190
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3472295938 (a.u.)
total exchange computation time: 2.8068251610 s
-153.9894426503
Anderson extrapolation: theta=2.6344490267 (2.0000000000)
-931.34997649
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1372201190
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3471530589 (a.u.)
total exchange computation time: 2.8070690632 s
-153.9904882976
Anderson extrapolation: theta=0.5849075522 (0.5849075522)
-931.35000064
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1372201190
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3471308751 (a.u.)
total exchange computation time: 2.8084130287 s
-153.9908661918
Anderson extrapolation: theta=0.6516919112 (0.6516919112)
-931.35000964
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1372201190
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3471449566 (a.u.)
total exchange computation time: 2.8066370487 s
-153.9908358669
Anderson extrapolation: theta=0.7218974925 (0.7218974925)
-931.35001391
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1372201190
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3471803792 (a.u.)
total exchange computation time: 2.8076169491 s
-153.9905756586
Anderson extrapolation: theta=0.5089331245 (0.5089331245)
-931.35001590
-208.773489 50.663626 -160.127996
-133.823961 460.262603 -799.589016
-342.597450 510.926229 -959.717012
1139.945335
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1372201190
ExchangeOperator: bisection time: 1.420 s
total exchange = -52.3472156344 (a.u.)
total exchange computation time: 2.8331129551 s
678.70823416
-1083.15017284
89.69310732
-389.49071425
-174.76325531
77.92126616
551.60419304
0.00000000
-931.35001656
-10.93265210 -4.24433573 6.71244462
0.00001208 -0.00010899 0.00000062
0.02245756 -0.00381907 -0.00853599
-14.06390630 3.56276041 9.37362420
0.00029691 0.00015507 -0.00023295
0.01616344 -0.01342588 -0.01616190
-15.95951473 1.35065433 3.45890361
0.00019483 0.00022150 -0.00010377
-0.01920659 -0.00640166 -0.03137039
2.51179916 -19.82756465 12.80396740
0.00017446 -0.00011177 -0.00015826
0.01396576 0.01294919 0.03857064
9.63821476 20.38022744 1.05090796
-0.00003565 -0.00000282 0.00043365
-0.02429060 -0.00212292 0.00232682
-12.00980785 12.57128117 15.14060812
-0.00032516 -0.00011015 0.00013156
-0.00085906 0.03163334 -0.00737593
-6.26624546 1.46788608 -12.29557000
0.00014020 -0.00018733 -0.00023788
-0.00935905 0.02451502 -0.00321486
-7.39769699 7.79589005 -5.93543888
-0.00003664 -0.00003001 -0.00018519
-0.02393779 0.00868585 -0.01042346
-7.70425683 -4.35683472 17.80216968
-0.00011331 0.00013014 -0.00015438
-0.00713113 -0.00789907 0.02673355
-23.50758892 -5.04343959 -22.58975996
-0.00013772 -0.00019251 -0.00021832
0.00144403 0.01824823 -0.01315657
6.64077413 12.76175893 6.05523502
-0.00011150 0.00000074 -0.00002051
-0.03543036 0.02561239 -0.01870612
24.71573006 30.43699595 -2.90683320
0.00016660 0.00011850 -0.00019203
-0.00042766 0.03227014 -0.00892191
7.91721379 -1.17458230 -14.51610340
-0.00002917 0.00039420 -0.00014289
0.00443710 0.00921152 0.03559208
-7.29407221 -0.93502347 14.40746467
-0.00009255 0.00008534 -0.00011961
0.01448355 -0.00657890 -0.06443594
-1.82642822 -26.23038380 11.30666333
0.00036704 0.00003578 -0.00000139
-0.01749767 0.00525945 0.00225355
-14.11286422 -4.55047193 -7.02266675
0.00024964 0.00023611 0.00008469
-0.00868482 -0.00163610 -0.00402946
-20.00104944 -12.58147170 -17.77202243
-0.00010629 -0.00030640 0.00014920
0.00712137 0.01162079 0.00547379
22.74156141 3.61386837 3.00880958
0.00012193 -0.00015680 -0.00009281
-0.01740988 -0.01552778 0.01909600
17.76709629 -10.18933979 -14.35448671
-0.00002384 -0.00033746 -0.00010324
-0.04860646 0.00861280 -0.01311665
-2.06480468 1.86345032 -7.05333591
0.00025913 -0.00014557 0.00019778
-0.01448614 -0.02553361 -0.01485262
-4.19388976 -3.04110199 -15.61600487
-0.00019646 0.00002846 0.00001462
-0.02472090 -0.00126680 -0.01640944
13.34939901 17.26030151 -20.08850749
-0.00000801 0.00003412 0.00035949
0.02012596 -0.00425742 0.00650655
-16.23788481 16.06111495 -12.11957523
0.00052352 0.00009678 -0.00001237
-0.04394612 0.02112298 0.06870854
1.74384745 14.48206163 7.53759223
0.00063997 0.00050883 -0.00002362
0.03314453 -0.05723630 -0.01289361
-5.28987195 -9.64276324 2.17701451
-0.00019813 -0.00017051 0.00028133
-0.02657408 0.03857962 -0.03215847
3.09684925 -6.42367745 2.55412973
0.00005983 -0.00029608 0.00016699
-0.03081038 0.05102297 0.01930772
10.86921420 4.89679220 4.47397623
0.00011905 0.00010676 -0.00022836
-0.02047009 0.00531591 0.01143202
-8.53298520 -9.67955629 -2.73946028
0.00003653 0.00009920 -0.00030378
0.02293494 -0.02458872 0.00490054
3.16029671 -15.98123465 -13.20183627
-0.00006149 0.00017454 -0.00000290
-0.04023778 0.03720950 -0.01441423
4.82591933 -8.44203520 -5.58189388
-0.00012623 0.00007978 0.00026020
0.01472295 0.03699394 -0.03447577
18.55216693 0.92370032 24.73034731
-0.00000290 0.00029329 -0.00019735
0.01294106 -0.02294798 0.00352339
-8.35345418 3.12541823 1.11280228
-0.00054037 -0.00009812 0.00020183
-0.00109329 0.00538987 0.00044608
-7.77542920 14.21835325 -10.51247106
0.00043375 0.00005515 0.00026118
0.00130392 -0.00346306 0.03866303
1.69766574 11.38447197 -8.96876342
0.00007711 0.00008010 -0.00004750
0.01687142 0.02589917 -0.00037314
-11.76138475 10.04924948 -13.86287971
0.00022981 0.00024342 -0.00015400
-0.01765656 -0.00484862 0.03966031
7.09108854 4.36864131 14.68084333
-0.00047109 0.00023261 -0.00000378
-0.00466116 0.00013760 0.04094068
-14.70531148 9.24988553 -9.17698129
-0.00025953 -0.00030886 0.00046890
-0.00833868 0.03809580 -0.00407671
8.49684829 8.29183288 -3.11508085
-0.00013345 -0.00014752 -0.00001452
0.05308193 0.00375879 0.05721559
13.72277485 -20.42296615 -25.78967126
0.00021943 -0.00011966 -0.00019997
0.00505196 0.00711747 0.01078768
6.30448794 6.54438588 2.61381269
-0.00014236 0.00038232 -0.00026036
-0.01230661 -0.00232652 0.01811119
19.14269948 -5.76806239 -6.58303656
-0.00035596 0.00003388 -0.00027002
0.02977285 -0.02025631 -0.00870202
-1.69240890 0.02485297 -2.59362514
0.00002923 -0.00015508 -0.00024716
-0.00848200 0.00673417 -0.01000756
2.37085118 -1.88094027 -12.25001958
0.00006140 0.00003440 0.00037501
-0.00683563 -0.01920012 0.00849953
20.39482432 9.36464501 -5.25752461
-0.00053591 0.00006663 -0.00002963
-0.03890555 -0.00345383 -0.03242021
-7.48756481 6.45170921 9.46012358
-0.00012596 -0.00008436 -0.00000451
-0.01193955 -0.00141579 -0.04478629
-2.65584534 -14.60707725 11.50706490
0.00024305 0.00005528 -0.00021554
0.01802993 0.02282745 0.00761197
8.12596564 0.36912008 -4.96989853
-0.00004384 -0.00029706 -0.00006230
0.00933640 -0.04180569 0.02438299
-0.06191068 -10.12166474 0.44413112
-0.00016162 -0.00025928 -0.00026267
-0.01089899 0.01378125 -0.01932248
-20.13752099 -1.35471497 4.76295260
-0.00020876 0.00035205 0.00004208
0.01784557 -0.02842545 0.02203237
-4.65302202 7.58998397 -23.55959930
0.00027281 0.00018942 -0.00029354
0.00972311 0.02006017 -0.01871137
2.57007399 2.34610516 -1.25394743
-0.00007162 0.00000649 0.00039263
0.00803216 -0.00881966 -0.00208919
15.52905908 7.49365385 4.66512461
-0.00004778 -0.00038928 -0.00013531
-0.01230269 0.01183447 -0.04717943
-9.36743230 -4.72516448 7.51910955
-0.00094117 0.00045648 0.00035807
-0.00557464 -0.00291463 0.01022802
-10.30311804 -3.73587396 5.04695582
0.00073251 -0.00016040 -0.00030649
-0.00447915 -0.00840271 -0.00147179
-12.84937360 4.73637573 8.63335623
0.00034517 0.00048559 -0.00060835
-0.00623278 -0.00353385 0.00643880
-13.53783552 1.88991307 8.61000945
-0.00070440 -0.00026216 -0.00001770
-0.01109449 0.02267835 0.00874439
-15.20264029 1.74169193 4.99664586
-0.00113787 0.00118162 -0.00008269
0.02549542 0.00802461 0.03453222
-17.20620977 0.10736776 4.05132475
-0.00102510 -0.00015994 0.00027199
-0.00803742 0.00046329 -0.00536432
3.02443883 -21.20220946 11.74655841
0.00056013 0.00046785 0.00060774
-0.00156267 -0.01662996 -0.01145604
3.60688406 -19.93899614 14.34223801
0.00084818 0.00072740 0.00077831
-0.01471976 0.00723283 -0.02673139
8.53149606 18.91418887 1.16476390
0.00021862 -0.00050365 0.00030105
0.01428010 -0.01405979 -0.01227468
8.45717897 21.47823205 1.93138077
0.00032520 0.00001576 -0.00002022
0.00710174 0.02323807 0.00433995
-10.93571872 11.84476107 16.39287499
-0.00053078 -0.00113428 0.00034788
0.00942252 -0.00091481 0.01494031
-12.57932263 14.22408986 15.80375197
-0.00024866 0.00048056 0.00003177
0.00579006 -0.01377523 -0.00608523
-5.38513251 0.22726249 -13.22526328
0.00041675 0.00016221 0.00039493
0.00817749 -0.01690243 -0.01063539
-6.75914132 0.73131676 -10.69842395
0.00053840 -0.00002349 -0.00165057
0.00030115 -0.00799947 0.01367493
-6.81804271 6.38485747 -4.97999286
0.00011283 -0.00060602 0.00007209
0.00466255 -0.01053128 0.00813553
-9.17747784 7.91549681 -5.42610548
-0.00022405 0.00048885 0.00012912
0.01459443 -0.00205283 -0.00550019
-8.47717574 -3.29201395 19.12149577
0.00033256 0.00107532 0.00062649
0.01036811 -0.00744140 -0.01708807
-7.80814449 -6.04948163 18.52845337
-0.00043857 -0.00055593 -0.00002039
-0.00362048 0.00105645 -0.00181840
-23.23847798 -3.36651684 -23.36369745
-0.00051670 -0.00096936 -0.00019540
-0.00743907 -0.01355691 -0.00296417
-23.05587266 -4.71290968 -20.87644112
0.00036866 -0.00114520 -0.00004361
-0.00346659 -0.00117963 0.01089548
6.63321003 13.32419789 4.27902026
0.00033782 -0.00007647 0.00003509
0.01425847 -0.01033264 0.01679214
8.08258997 11.80288775 6.50458864
0.00050191 0.00025018 0.00024124
0.02557267 -0.01502164 -0.00267499
24.77944919 28.78831863 -2.25695751
0.00053212 0.00028481 -0.00039119
-0.00223579 -0.02386446 0.01553441
23.99245758 31.61916681 -1.67029160
0.00015513 0.00058571 0.00049180
0.00164710 -0.00982683 -0.00372819
9.43426402 -2.25781664 -14.90811393
-0.00020097 0.00012517 -0.00098703
-0.01045286 0.00314370 0.00708145
7.90324164 -1.16381642 -12.63532943
0.00065945 -0.00165226 -0.00085224
-0.00470138 -0.00776643 -0.02879354
-7.43176149 -0.07508650 15.96368523
-0.00080192 0.00025593 0.00034324
-0.01494731 0.00197413 0.02681111
-8.54300262 -2.19642247 13.94431431
-0.00135596 -0.00026119 0.00011977
0.00416293 0.01034245 0.02481596
-2.67382069 -26.65636816 12.95659467
-0.00009494 0.00012429 -0.00073103
0.01545677 0.00006673 -0.01056379
-3.18151624 -25.89336300 10.10054597
-0.00053301 0.00006625 0.00011331
0.00850701 -0.00245275 -0.00066613
-14.43497550 -2.89064148 -6.27618554
-0.00117803 0.00014861 0.00031782
0.00518753 0.00180655 -0.00077565
-14.88977852 -4.56820642 -8.68888852
0.00054934 -0.00031399 0.00006184
0.00339307 -0.00126268 -0.00085159
-19.25855166 -11.15449828 -16.76640557
0.00014083 0.00114776 0.00016633
0.00305243 -0.03034723 -0.01940395
-18.64178896 -13.73099485 -18.36939033
0.00098449 0.00101323 0.00037612
-0.00181889 0.01782674 0.01414105
23.71895363 3.17292303 1.47139565
0.00129647 0.00057707 0.00079836
0.00311019 0.02220972 -0.00035190
22.84833222 5.17473792 3.95670370
-0.00004804 -0.00020323 -0.00011689
0.01054574 -0.00263354 -0.01546487
16.18273187 -9.94271812 -13.31235651
-0.00094942 -0.00037240 0.00053131
0.02953582 0.00019737 -0.00971051
17.06629703 -9.87397346 -16.09660844
-0.00063919 -0.00073055 0.00004238
0.01981435 -0.00284307 0.02411612
-0.58523719 2.27137557 -8.03322961
0.00037029 -0.00047249 -0.00014539
0.01734693 0.00949682 -0.00224563
-2.24745716 0.08480992 -7.59665785
0.00023104 -0.00079860 0.00138865
-0.00868071 0.01865999 0.00672039
-5.68546006 -3.45909627 -16.68437089
-0.00006942 -0.00116774 -0.00047091
0.02231819 0.00131574 0.01518080
-3.41309525 -1.73521378 -16.64279378
-0.00082833 0.00055098 0.00014374
0.00152204 0.00336521 -0.00365344
12.84996838 18.88293156 -20.79756111
-0.00063227 0.00058901 0.00068409
-0.01210082 -0.01144611 -0.00107584
11.92623727 16.08513232 -20.10055749
0.00040438 0.00042741 0.00016695
-0.00134536 0.01260186 -0.00827726
-15.36907656 15.63350101 -13.54320033
0.00041689 0.00041863 -0.00072491
0.03545711 -0.01824142 -0.05709796
-17.82601386 15.12506420 -12.31508607
-0.00019905 -0.00038395 0.00084247
0.00927623 -0.00094497 -0.00195053
2.76651858 15.01394323 6.09920406
-0.00019171 -0.00061408 -0.00075710
-0.01141189 0.00909829 0.00254286
0.70584682 15.66418573 8.25858267
0.00000301 -0.00018142 0.00002003
-0.03328052 0.04598108 0.01135971
-6.15297782 -8.24369056 1.09512869
0.00063604 0.00050895 -0.00020579
0.02135991 -0.03766736 0.03633611
-3.53722365 -9.47441891 1.66326121
-0.00024649 -0.00086211 0.00003664
0.00974469 -0.00501321 0.00129316
2.30239272 -4.61026724 2.88536048
-0.00041005 0.00048383 0.00047111
0.04124911 -0.05204493 -0.01173581
4.48779980 -6.40008291 1.34464748
-0.00003053 -0.00109091 0.00019289
-0.00016317 0.00822503 0.00270206
9.20061006 5.73231374 4.26899244
-0.00072447 0.00018447 -0.00058426
0.01738407 -0.00331211 -0.00708490
12.11345583 6.22216315 4.74435809
-0.00033823 0.00025686 0.00000909
0.00475979 0.00230692 -0.00099249
-7.33922503 -11.16126873 -2.33240617
0.00061896 0.00051175 -0.00102972
-0.03717669 0.03495065 -0.00444762
-9.77927138 -9.34124281 -1.41170332
-0.00011127 0.00078408 -0.00022039
0.00900909 -0.01021912 -0.00336894
4.48232564 -16.57302321 -14.17932116
-0.00034177 0.00023856 0.00051431
0.03350520 -0.01216851 -0.02167397
3.38472397 -16.78171544 -11.65499562
0.00223523 -0.00125959 -0.00006877
0.00035857 -0.02072033 0.03649644
5.83317312 -6.86221630 -6.02139582
-0.00038237 -0.00000829 0.00064099
-0.01496583 -0.02435389 -0.00081019
4.97538950 -8.32376543 -3.82294321
0.00038765 0.00115456 0.00066257
-0.00226625 -0.00819308 0.03625471
16.79202603 1.38142983 24.57165047
-0.00025974 0.00022491 0.00047377
0.00257942 0.01964657 -0.00097124
19.84189518 2.27544063 24.88789256
0.00035559 0.00006388 -0.00128723
-0.01784531 0.00188702 -0.00054300
-9.79177888 3.37997212 2.34110832
0.00009911 0.00150176 0.00008900
0.01328654 0.00681649 -0.01139489
-7.62415627 4.80059916 0.80709021
0.00055908 -0.00034413 0.00022062
-0.00302739 -0.00989501 0.00875247
-6.41039039 14.44750375 -9.21085639
-0.00001163 -0.00080403 0.00015912
-0.02484387 -0.00264731 -0.02273032
-9.31840515 13.79066168 -9.47012111
-0.00028356 -0.00040334 0.00059514
0.02449249 0.00442799 -0.01669400
0.11350715 10.88826185 -8.20055038
0.00031669 -0.00000279 0.00089073
0.00880875 0.00552310 0.01248917
2.63280285 12.66490057 -7.85003142
0.00014969 -0.00055225 0.00041210
-0.02390333 -0.03222493 -0.01261033
-10.30164734 8.94583959 -13.72756191
0.00101703 0.00000366 -0.00034411
-0.00074951 0.00127166 0.00097487
-12.63454331 9.89863531 -12.12107598
-0.00069179 0.00027873 0.00046661
0.01624909 -0.00105470 -0.03668529
7.19659879 6.12296067 15.31425060
0.00033402 0.00077439 -0.00022370
0.00054498 -0.02056901 -0.03788312
7.17358177 4.07190456 12.89026362
-0.00012812 0.00034474 0.00012366
0.00876721 0.01938994 -0.01045332
-13.89757291 10.83137240 -8.36437823
0.00062511 -0.00054541 -0.00064182
-0.00991069 -0.02852976 -0.00772904
-16.33359202 9.91663835 -9.81172903
-0.00018936 0.00054724 -0.00085151
0.01332827 -0.01339544 0.00876175
8.60164341 9.85927773 -2.09612524
-0.00074298 -0.00015249 -0.00076470
-0.00616013 -0.01513874 -0.01748200
7.22319686 8.48501149 -4.26156178
0.00162894 -0.00048223 -0.00087660
-0.04746520 0.01862214 -0.03340808
12.12825904 -20.33756810 -26.65012857
-0.00066030 0.00055156 0.00008887
-0.00538912 0.00209905 0.00428671
13.53310668 -19.76524096 -23.99404473
0.00061203 -0.00059908 0.00016277
-0.00157349 -0.01248735 -0.01724057
5.66373114 4.78372818 2.75563147
-0.00019415 -0.00118722 -0.00014700
0.00753074 0.01265198 -0.01750256
6.31807010 7.24403075 0.92751043
0.00015729 0.00063170 0.00036333
0.00116023 -0.01410125 -0.00287294
20.54553434 -6.53700823 -5.65518938
0.00049753 -0.00003365 0.00006185
-0.01361099 0.00615898 -0.00664328
17.89425804 -5.27283612 -5.41835915
-0.00004763 -0.00042690 -0.00040925
-0.02304206 0.01405042 0.02261792
-2.92087073 0.20952236 -1.27010750
0.00136716 0.00060203 -0.00047048
-0.00104997 0.00163233 0.01433556
-2.41432008 1.03738790 -4.01649241
-0.00085739 -0.00023142 0.00051403
0.01649552 -0.01125700 0.00485348
3.56769106 -3.35165912 -12.11473470
-0.00040415 0.00097704 -0.00023571
-0.01623993 0.02008676 -0.00218121
0.63426824 -2.38398095 -11.46006175
-0.00088581 -0.00043913 0.00008000
0.03214134 -0.00304279 -0.01476319
19.76096922 8.27201892 -6.64897170
-0.00209461 -0.00014880 -0.00057756
0.00743497 0.01395026 0.01690703
21.92419783 8.59506216 -4.72765124
0.00000509 -0.00009586 -0.00006668
0.02906001 -0.00936680 0.00930270
-7.54610780 4.69124312 8.89621501
0.00033526 -0.00009327 -0.00005112
0.00406881 0.00013280 0.00270294
-7.46107483 6.25188223 11.19199709
-0.00057206 -0.00013463 0.00082282
-0.00156861 -0.00120302 0.04944654
-3.01128538 -16.36962897 11.58098002
-0.00037610 -0.00001536 -0.00090756
-0.01212060 -0.00821125 -0.00059411
-4.13062483 -13.56454423 11.75205939
-0.00020926 0.00015514 -0.00020957
-0.00549669 -0.01503652 -0.00291809
8.33216608 0.45055564 -3.16038305
0.00064441 0.00067217 0.00097318
0.00123368 -0.00508312 -0.00016732
7.77450372 2.02740960 -5.51768934
0.00033063 -0.00015424 -0.00030888
-0.00984959 0.03623765 -0.02135507
1.24078082 -10.65346694 1.58836828
0.00004312 -0.00002160 -0.00026640
0.00164089 -0.00307597 0.01802740
0.17260593 -8.28518752 0.21605338
-0.00034301 -0.00025285 0.00071305
0.00172463 -0.01621700 -0.00195731
-20.01066528 -1.32829031 6.66153023
-0.00062873 0.00013921 -0.00044760
-0.00080099 -0.00817177 -0.01044805
-21.01891802 0.13302244 4.37507699
-0.00031024 -0.00043521 0.00064115
-0.01908315 0.03206583 -0.01020323
-3.72674420 8.47169248 -24.95576918
-0.00093445 -0.00015752 0.00045002
-0.00382369 -0.02675667 -0.01088065
-4.40479609 9.06588028 -22.56627941
-0.00021944 -0.00032891 -0.00030899
-0.00565397 0.00595822 0.03697652
3.73893317 0.98092311 -0.92470582
0.00075980 -0.00038971 0.00012213
0.00280542 0.00620203 -0.00154944
1.13239097 1.47043651 -2.06401329
0.00086725 -0.00195252 0.00081268
-0.00772973 0.00221993 0.00311412
16.00136789 7.46856215 6.38177840
-0.00059238 0.00010590 0.00050780
0.00888127 0.01121012 0.02400760
15.81728016 9.15857842 3.86227667
0.00030882 0.00089118 -0.00067725
0.00076994 -0.01851867 0.01613162
-0.34930502 -11.81624744 -13.30575146
0.00004361 -0.00000313 0.00024027
0.00979828 -0.00208995 -0.00183783
-13.93680185 14.50605809 22.16387701
-0.00001522 -0.00011497 0.00014827
-0.00040479 -0.00369220 0.00026777
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02787515
0.32214141
429.23727822
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1379556517
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3324012976 (a.u.)
total exchange computation time: 2.7580890656 s
-153.9192592495
-931.34500740
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1379556517
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3321870460 (a.u.)
total exchange computation time: 2.7585079670 s
-153.9220047258
Anderson extrapolation: theta=1.3508741125 (1.3508741125)
-931.34526984
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1379556517
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3318170545 (a.u.)
total exchange computation time: 2.7591769695 s
-153.9261834287
Anderson extrapolation: theta=0.0529668880 (0.0529668880)
-931.34542711
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1379556517
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3317288783 (a.u.)
total exchange computation time: 2.7574160099 s
-153.9268567323
Anderson extrapolation: theta=1.9817512836 (1.9817512836)
-931.34543325
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1379556517
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3315274841 (a.u.)
total exchange computation time: 2.7570099831 s
-153.9282997724
Anderson extrapolation: theta=0.2316522454 (0.2316522454)
-931.34544009
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1379556517
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3314709257 (a.u.)
total exchange computation time: 2.7571411133 s
-153.9286299480
Anderson extrapolation: theta=1.8575014291 (1.8575014291)
-931.34544145
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1379556517
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3313819931 (a.u.)
total exchange computation time: 2.7573719025 s
-153.9290707445
Anderson extrapolation: theta=0.2879673269 (0.2879673269)
-931.34544313
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1379556517
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3313740912 (a.u.)
total exchange computation time: 2.7584140301 s
-153.9290291324
Anderson extrapolation: theta=1.3029973110 (1.3029973110)
-931.34544353
-208.824223 50.636249 -160.070013
-133.820861 460.270325 -799.606780
-342.645084 510.906574 -959.676793
1139.916983
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569767442
ExchangeOperator: pair fraction: ispin=0: 0.1379556517
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3313781191 (a.u.)
total exchange computation time: 2.7692251205 s
678.46366854
-1082.63554616
89.71922773
-389.83963427
-174.72178158
77.63965678
551.60419304
0.00000000
-931.34544385
-10.93238426 -4.24598536 6.71242101
0.00002243 -0.00011024 -0.00000524
0.01777482 -0.00103240 -0.01425583
-14.05939031 3.56503467 9.37006756
0.00030535 0.00014879 -0.00024131
0.01665743 -0.01098560 -0.01635297
-15.95666640 1.35395208 3.45722605
0.00018338 0.00021688 -0.00011987
-0.02532957 -0.01153954 -0.03122396
2.51446998 -19.82919132 12.80174227
0.00018211 -0.00010393 -0.00013630
0.01578816 0.01756030 0.04681043
9.63758635 20.38017698 1.05742170
-0.00004775 -0.00000476 0.00043441
-0.02277073 -0.00544212 0.00063100
-12.01468862 12.56975101 15.14255311
-0.00032521 -0.00009388 0.00012844
0.00067382 0.03162956 -0.00477637
-6.26417861 1.46517070 -12.29915068
0.00013572 -0.00017327 -0.00024139
-0.00803588 0.03014626 -0.01040037
-7.39833888 7.79547335 -5.93825691
-0.00004884 -0.00002654 -0.00018972
-0.02352617 0.00481150 -0.00719455
-7.70598404 -4.35491310 17.79995707
-0.00011756 0.00012586 -0.00013925
-0.00939235 -0.00875984 0.03209166
-23.50964920 -5.04625688 -22.59308555
-0.00013716 -0.00018448 -0.00022425
0.00073790 0.01297552 -0.00990249
6.63896494 12.76186885 6.05485517
-0.00012877 0.00001320 -0.00002974
-0.03170709 0.02283463 -0.01718762
24.71822745 30.43889788 -2.90974810
0.00016583 0.00013627 -0.00019598
-0.00256863 0.03685162 -0.00642273
7.91679343 -1.16863376 -14.51810941
-0.00002653 0.00039850 -0.00012588
0.00582639 0.00752261 0.03053126
-7.29540452 -0.93376882 14.40542202
-0.00008664 0.00008123 -0.00015183
0.00849942 -0.00939436 -0.06088204
-1.82099016 -26.22982682 11.30665115
0.00035727 0.00003873 -0.00000153
-0.02046621 0.00621511 -0.00280267
-14.10915317 -4.54693662 -7.02141195
0.00024517 0.00023562 0.00008304
-0.00867365 -0.00026239 -0.00236737
-20.00261625 -12.58602288 -17.76976337
-0.00010188 -0.00029888 0.00015295
0.01000518 0.01762552 0.00910852
22.74332324 3.61145654 3.00749109
0.00011291 -0.00016463 -0.00008284
-0.01768787 -0.01495410 0.01968306
17.76655122 -10.19436850 -14.35608583
-0.00005003 -0.00033291 -0.00010911
-0.05324385 0.00910123 -0.00972222
-2.06097366 1.86116822 -7.05042644
0.00025197 -0.00015895 0.00018985
-0.01334215 -0.02646406 -0.01600112
-4.19693206 -3.04068005 -15.61584894
-0.00020956 0.00002762 0.00000581
-0.02619632 -0.00198796 -0.01781553
13.34935643 17.26079686 -20.08309003
0.00000279 0.00003350 0.00036246
0.02187083 0.00186354 0.00502766
-16.23020147 16.06264816 -12.11949572
0.00050093 0.00010660 0.00002163
-0.04389731 0.01707332 0.06349410
1.75357486 14.48947327 7.53718816
0.00065667 0.00047917 -0.00002969
0.03180352 -0.05809840 -0.01070770
-5.29294647 -9.64517209 2.18111037
-0.00021178 -0.00015039 0.00026454
-0.02647977 0.03966318 -0.03313871
3.09762791 -6.42792186 2.55670900
0.00004341 -0.00026937 0.00017726
-0.03304134 0.05285261 0.02066075
10.87092102 4.89841408 4.47059498
0.00010721 0.00010985 -0.00022264
-0.02556939 0.00670583 0.01079395
-8.53234885 -9.67816319 -2.74399803
0.00004788 0.00008706 -0.00030131
0.02120937 -0.02261901 0.00470000
3.15921916 -15.97847298 -13.20193544
-0.00008238 0.00019259 -0.00000726
-0.04100935 0.03296175 -0.00251063
4.82408268 -8.44069584 -5.57812390
-0.00011871 0.00009861 0.00024423
0.01453521 0.03625125 -0.02761327
18.55217328 0.92801112 24.72740066
0.00000338 0.00028150 -0.00019558
0.01148843 -0.02291051 0.00335757
-8.36156400 3.12396721 1.11583150
-0.00054020 -0.00009495 0.00020160
0.00177696 0.00692289 -0.00133925
-7.76891798 14.21916709 -10.50840417
0.00043282 0.00005286 0.00028105
-0.00489688 -0.00542191 0.03860673
1.69888750 11.38577337 -8.96947736
0.00008530 0.00009320 -0.00004743
0.01496221 0.02505676 0.00066243
-11.75800570 10.05288206 -13.86503676
0.00022126 0.00024019 -0.00013283
-0.01558476 -0.00769655 0.04266855
7.08400417 4.37213094 14.68094458
-0.00047342 0.00023336 0.00001762
-0.00437916 0.00279349 0.04228065
-14.70923652 9.24539959 -9.16996358
-0.00026469 -0.00028928 0.00046599
-0.01176020 0.03803553 -0.00723308
8.49505127 8.28963452 -3.11507799
-0.00010513 -0.00014636 0.00001572
0.05706389 0.00077242 0.06038247
13.72608586 -20.42473363 -25.79262915
0.00022080 -0.00011588 -0.00019487
0.00024605 0.00759534 0.00904741
6.30230503 6.55011165 2.60997713
-0.00014929 0.00037872 -0.00024985
-0.01464473 -0.01164019 0.02277829
19.13747487 -5.76763236 -6.58712050
-0.00033893 0.00002265 -0.00027434
0.03645386 -0.02341784 -0.00807045
-1.69200323 0.02255279 -2.59737118
0.00002612 -0.00015202 -0.00025335
-0.00360902 0.00517389 -0.01405089
2.37174580 -1.88049833 -12.24436162
0.00005616 0.00002566 0.00037937
-0.01355651 -0.01477076 0.00843500
20.38663555 9.36563110 -5.25809410
-0.00055549 0.00006373 -0.00004704
-0.03720627 -0.00779959 -0.03527645
-7.48950031 6.45043827 9.45988322
-0.00013198 -0.00008529 -0.00002513
-0.01147375 -0.00218129 -0.03541372
-2.65213009 -14.60616005 11.50386122
0.00025140 0.00006698 -0.00021142
0.01445918 0.02269823 0.00839971
8.12534404 0.36450295 -4.97073901
-0.00003890 -0.00031781 -0.00004772
0.00987020 -0.03888476 0.03231894
-0.06437699 -10.12550076 0.44011659
-0.00016697 -0.00025245 -0.00027227
-0.00992788 0.01275763 -0.01800622
-20.14058354 -1.34954386 4.76366886
-0.00019881 0.00033621 0.00005305
0.02085274 -0.03315731 0.02060127
-4.64889229 7.59290268 -23.56407462
0.00027664 0.00019810 -0.00030218
0.00515382 0.01369646 -0.01485869
2.56903066 2.34616851 -1.24806602
-0.00006644 0.00000036 0.00039166
0.01210561 -0.01503702 -0.00168108
15.52829489 7.48786025 4.66291303
-0.00005338 -0.00038127 -0.00015934
-0.00948193 0.01934463 -0.04626332
-9.38172073 -4.71840653 7.52479407
-0.00095276 0.00044127 0.00040582
-0.00009593 -0.00453271 0.01314226
-10.29226763 -3.73853743 5.04231338
0.00071195 -0.00019682 -0.00030635
-0.00558533 -0.00942728 0.00153974
-12.84438705 4.74355125 8.62442825
0.00031644 0.00046608 -0.00058042
-0.00783002 -0.00601567 0.00723331
-13.54874151 1.88667564 8.61001193
-0.00074800 -0.00016959 0.00001699
-0.01024770 0.02263256 0.00823497
-15.21892707 1.75966216 4.99646372
-0.00103213 0.00121564 0.00006295
0.02626445 0.00862505 0.03675881
-17.22183253 0.10498280 4.05524028
-0.00104759 -0.00014824 0.00024546
-0.00297324 0.00526582 -0.00762376
3.03279292 -21.19570135 11.75532342
0.00055730 0.00039040 0.00055426
0.00017732 -0.02128099 -0.01472178
3.61915567 -19.92786346 14.35309352
0.00078083 0.00075705 0.00065881
-0.01824696 0.00727965 -0.03176659
8.53521290 18.90620336 1.16890359
0.00027832 -0.00055716 0.00025124
0.01494337 -0.01213772 -0.01211106
8.46227458 21.47918056 1.93121051
0.00035006 0.00011316 0.00000061
0.00506678 0.02443730 0.00585512
-10.94339168 11.82771878 16.39855099
-0.00049724 -0.00113336 0.00040389
0.00699636 0.00136497 0.01247613
-12.58287509 14.23087609 15.80404199
-0.00022296 0.00041925 0.00000598
0.00678904 -0.01623370 -0.00653564
-5.37863064 0.22917775 -13.21966525
0.00045395 0.00008917 0.00034674
0.01002939 -0.01885097 -0.01295119
-6.75105614 0.73071924 -10.72276351
0.00053296 -0.00006336 -0.00157544
-0.00296188 -0.01151367 0.02310115
-6.81620736 6.37544442 -4.97866229
0.00012735 -0.00064025 0.00009947
0.00244638 -0.00622348 0.00526975
-9.18039139 7.92276664 -5.42433729
-0.00016062 0.00047933 0.00010610
0.01645383 -0.00260732 -0.00576449
-8.47186958 -3.27611219 19.13036956
0.00037931 0.00103687 0.00054870
0.01251675 -0.01137730 -0.02099199
-7.81483397 -6.05778814 18.52809185
-0.00045311 -0.00054196 -0.00003080
-0.00349636 0.00578126 -0.00327950
-23.24645639 -3.38147265 -23.36671934
-0.00054527 -0.00101496 -0.00021023
-0.00654712 -0.00876334 -0.00429098
-23.05044903 -4.73012387 -20.87676136
0.00035406 -0.00114913 -0.00000256
-0.00367931 -0.00074502 0.00919750
6.63871423 13.32273426 4.28006118
0.00039568 -0.00011785 0.00010204
0.01406776 -0.00992577 0.01598202
8.09090228 11.80618008 6.50812528
0.00059963 0.00019317 0.00022874
0.02226161 -0.01288463 -0.00344284
24.78736254 28.79185943 -2.26234936
0.00052301 0.00018470 -0.00032642
-0.00222691 -0.02513780 0.01617207
23.99483497 31.62765136 -1.66302880
0.00016546 0.00053886 0.00046964
0.00340842 -0.01310961 -0.00711897
9.43092914 -2.25584277 -14.92270236
-0.00024500 0.00013942 -0.00095860
-0.01109852 0.00383454 0.00683318
7.91298936 -1.18883832 -12.64899537
0.00063893 -0.00168244 -0.00095923
-0.00534402 -0.00700600 -0.02357869
-7.44424831 -0.07118703 15.96965535
-0.00086143 0.00025953 0.00044328
-0.01418534 -0.00021327 0.02215921
-8.56321444 -2.20002335 13.94687134
-0.00132828 -0.00020896 0.00022357
0.00938510 0.01522151 0.02599535
-2.67477115 -26.65450177 12.94530545
-0.00003272 0.00012342 -0.00076811
0.01499874 -0.00048974 -0.00758534
-3.18925069 -25.89244447 10.10222520
-0.00049137 0.00005514 0.00011429
0.01187687 -0.00298602 0.00114770
-14.45248697 -2.88835698 -6.27144207
-0.00115543 0.00015259 0.00031275
0.00587546 0.00014328 -0.00170566
-14.88143439 -4.57295499 -8.68798709
0.00056209 -0.00031900 0.00005685
0.00284560 -0.00118690 -0.00158791
-19.25634570 -11.13821180 -16.76450526
0.00014725 0.00101408 0.00008104
0.00008970 -0.03508894 -0.02234652
-18.62707738 -13.71525021 -18.36331514
0.00097688 0.00108326 0.00043258
-0.00190624 0.01645452 0.01349530
23.73849606 3.18225963 1.48336032
0.00130916 0.00066576 0.00079450
0.00309930 0.02120649 -0.00154116
22.84793478 5.17160879 3.95447654
-0.00000506 -0.00021289 -0.00017854
0.01049166 -0.00209703 -0.01471628
16.16939563 -9.94829813 -13.30468441
-0.00081931 -0.00037255 0.00048578
0.03415317 -0.00026681 -0.01257600
17.05731630 -9.88501891 -16.09523373
-0.00055789 -0.00074173 0.00014042
0.01998293 -0.00262927 0.02387387
-0.57915134 2.26457930 -8.03547925
0.00043782 -0.00043517 -0.00015291
0.01571164 0.00876965 -0.00143664
-2.24425750 0.07340276 -7.57562209
0.00019661 -0.00071865 0.00141603
-0.00817606 0.02047648 0.00667941
-5.68581748 -3.47657206 -16.69096932
0.00002557 -0.00116051 -0.00040608
0.02417957 0.00222571 0.01655135
-3.42547359 -1.72684595 -16.64074969
-0.00082261 0.00056428 0.00012876
0.00127832 0.00314571 -0.00367618
12.84011359 18.89141601 -20.78733277
-0.00067913 0.00053617 0.00068214
-0.01083998 -0.01441879 0.00012100
11.93226181 16.09192966 -20.09830685
0.00039268 0.00047281 0.00013356
-0.00438459 0.00962162 -0.00807071
-15.36173668 15.63922144 -13.55582360
0.00055262 0.00034684 -0.00094695
0.03098476 -0.01689939 -0.05159346
-17.82871533 15.11927593 -12.30250881
-0.00015132 -0.00038210 0.00083346
0.01408899 0.00185423 -0.00245825
2.76329325 15.00501090 6.08792552
-0.00023681 -0.00057407 -0.00074876
-0.01066457 0.01048490 0.00153849
0.70487217 15.66287336 8.25923124
-0.00013221 0.00000552 0.00006459
-0.03291057 0.04553216 0.01045158
-6.14278275 -8.23721055 1.09315534
0.00072250 0.00035290 -0.00005570
0.02096355 -0.03871893 0.03713004
-3.54062241 -9.48750420 1.66385042
-0.00020599 -0.00088303 0.00004233
0.01008255 -0.00522646 0.00149095
2.29750605 -4.60460455 2.89206755
-0.00023827 0.00026626 0.00042149
0.04283773 -0.05446058 -0.01255382
4.48733690 -6.41619453 1.34762366
-0.00003009 -0.00105588 0.00020276
0.00037821 0.00892168 0.00212681
9.19027566 5.73497931 4.26001139
-0.00064513 0.00016717 -0.00061231
0.02145745 -0.00515900 -0.00664431
12.10852822 6.22608676 4.74446397
-0.00031737 0.00026808 0.00000537
0.00545394 0.00318665 -0.00082722
-7.33107984 -11.15252142 -2.34798821
0.00046697 0.00065275 -0.00104548
-0.03722166 0.03406777 -0.00326954
-9.78066430 -9.32979477 -1.41511246
-0.00007127 0.00074021 -0.00023607
0.01056773 -0.01125338 -0.00430224
4.47822580 -16.56981766 -14.17227070
-0.00019795 0.00018752 0.00041647
0.03689445 -0.01281846 -0.02622063
3.41826335 -16.80124426 -11.65490877
0.00223139 -0.00133431 0.00006538
-0.00223666 -0.01585471 0.02917118
5.82697899 -6.86308695 -6.01180580
-0.00044147 -0.00010481 0.00063417
-0.01396711 -0.02289474 -0.00253047
4.98113480 -8.30669802 -3.81189369
0.00037686 0.00111917 0.00080048
-0.00301557 -0.00913203 0.03125042
16.78820890 1.38540551 24.57872719
-0.00024621 0.00030458 0.00046954
0.00404553 0.01935115 -0.00109677
19.84668219 2.27645660 24.86856753
0.00028255 0.00007223 -0.00128845
-0.01790637 0.00219975 -0.00005729
-9.78988516 3.40270746 2.34209409
0.00014880 0.00152798 0.00004572
0.01103862 0.00601777 -0.00978845
-7.61586290 4.79513393 0.81066764
0.00054595 -0.00038702 0.00025597
-0.00339803 -0.01109959 0.00855368
-6.41132610 14.43536214 -9.20916604
-0.00010768 -0.00081335 0.00007098
-0.02217641 -0.00191495 -0.02041660
-9.32190800 13.78474728 -9.46170549
-0.00017656 -0.00038308 0.00052218
0.02788398 0.00549101 -0.01902324
0.11852740 10.88838922 -8.18680680
0.00035453 0.00001934 0.00093971
0.00971573 0.00530912 0.01148957
2.63431580 12.65562928 -7.84423638
0.00005365 -0.00068189 0.00036048
-0.02311027 -0.03123249 -0.01265621
-10.28641486 8.94593339 -13.73269368
0.00100425 0.00001510 -0.00033935
-0.00550508 0.00432848 0.00135647
-12.64442223 9.90278401 -12.11520092
-0.00061993 0.00027364 0.00030986
0.01892726 -0.00144059 -0.04004651
7.20162579 6.13394629 15.30973419
0.00033520 0.00068489 -0.00037983
0.00003343 -0.02324515 -0.03854274
7.17192856 4.07766983 12.89179817
-0.00009174 0.00042300 0.00007917
0.00904354 0.01891699 -0.01132387
-13.88849998 10.82231698 -8.37424230
0.00058438 -0.00065829 -0.00067088
-0.01002415 -0.02672507 -0.00649656
-16.33602407 9.92443654 -9.82423318
-0.00012790 0.00048940 -0.00081160
0.01676017 -0.01492073 0.01077282
8.59031000 9.85652649 -2.10813138
-0.00076721 -0.00020918 -0.00083224
-0.00570089 -0.01260964 -0.01557983
7.24617645 8.47834867 -4.27573443
0.00142595 -0.00040492 -0.00102376
-0.05189885 0.01921958 -0.03863042
12.11818939 -20.32923033 -26.64866419
-0.00067239 0.00055932 0.00011130
-0.00053107 0.00169580 0.00669346
13.54223888 -19.77460977 -23.99213152
0.00060511 -0.00064972 0.00009160
-0.00181384 -0.01230216 -0.01759451
5.66104961 4.76630763 2.75289010
-0.00015764 -0.00111953 -0.00022011
0.01034394 0.02048144 -0.01828419
6.32046508 7.25307420 0.93287240
0.00016184 0.00057629 0.00034399
0.00106265 -0.01302560 -0.00659526
20.55258027 -6.53732429 -5.65446523
0.00043293 -0.00000388 0.00002905
-0.01801221 0.00841669 -0.00941266
17.89283751 -5.27880910 -5.42380481
-0.00014652 -0.00036778 -0.00031224
-0.02536704 0.01489229 0.02486953
-2.90039551 0.21860290 -1.27672544
0.00135246 0.00060911 -0.00039901
-0.00614673 0.00182938 0.02064885
-2.42667544 1.03357161 -4.00863316
-0.00078926 -0.00027539 0.00053047
0.01685624 -0.01026595 0.00319255
3.56113117 -3.33638805 -12.11833719
-0.00046307 0.00104858 -0.00024313
-0.01260386 0.01493243 -0.00145266
0.62196593 -2.39066121 -11.45931410
-0.00074919 -0.00045014 0.00001846
0.03473770 -0.00234675 -0.01535998
19.72977786 8.27021441 -6.65711700
-0.00205705 -0.00008539 -0.00049867
0.01095206 0.01708989 0.02170754
21.92516470 8.59333716 -4.72836642
0.00011469 -0.00013139 -0.00003283
0.02458775 -0.00802190 0.00726991
-7.54095416 4.68984810 8.89553106
0.00035161 -0.00009284 -0.00003968
0.00393382 0.00007916 0.00289853
-7.46970378 6.24982595 11.20585465
-0.00057916 -0.00013775 0.00100574
-0.00190972 -0.00032763 0.04009226
-3.01729834 -16.37011098 11.56734845
-0.00042430 -0.00004596 -0.00091027
-0.01147308 -0.00676661 -0.00073493
-4.13393222 -13.56267793 11.74882638
-0.00022616 0.00009073 -0.00022278
-0.00277276 -0.01649259 -0.00354764
8.34186999 0.46048237 -3.14579051
0.00064720 0.00065014 0.00095506
0.00013452 -0.00569744 -0.00870188
7.77916139 2.02620640 -5.52297691
0.00029102 -0.00000983 -0.00039498
-0.00953929 0.03445437 -0.02078981
1.24147795 -10.65388526 1.58492471
0.00004832 -0.00003481 -0.00019351
0.00090172 -0.00338804 0.01765151
0.16751358 -8.28947721 0.22668913
-0.00033602 -0.00031694 0.00070338
0.00169783 -0.01515431 -0.00277565
-20.02012084 -1.32645252 6.65449603
-0.00063054 0.00010507 -0.00048345
-0.00008389 -0.00854378 -0.00710185
-21.02415643 0.12747691 4.38438158
-0.00039502 -0.00029385 0.00059552
-0.02241714 0.03713216 -0.01213291
-3.74087808 8.46850979 -24.94935234
-0.00094184 -0.00026025 0.00039361
0.00020610 -0.02353247 -0.01673026
-4.40826094 9.06112926 -22.56978124
-0.00024163 -0.00029872 -0.00015312
-0.00520588 0.00881742 0.03932685
3.75041614 0.97526752 -0.92292139
0.00076553 -0.00035456 0.00011476
-0.00000185 0.01100142 -0.00205651
1.14516281 1.44121679 -2.05172772
0.00083368 -0.00194000 0.00082450
-0.00870101 0.00390576 0.00267454
15.99275436 7.47049414 6.39013101
-0.00055846 0.00015202 0.00059686
0.00772396 0.01136431 0.01958870
15.82193607 9.17137861 3.85261219
0.00030891 0.00080013 -0.00060409
-0.00072635 -0.02604740 0.01968362
-0.34862456 -11.81629997 -13.30215237
0.00004713 -0.00000388 0.00023960
0.00989271 -0.00209041 -0.00188851
-13.93703090 14.50432706 22.16610152
-0.00001532 -0.00011582 0.00014833
-0.00045684 -0.00360994 0.00021032
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02794890
0.31749495
423.04609817
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571220930
ExchangeOperator: pair fraction: ispin=0: 0.1386479178
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.3172176743 (a.u.)
total exchange computation time: 2.8022789955 s
-153.8662403797
-931.34173455
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571220930
ExchangeOperator: pair fraction: ispin=0: 0.1386479178
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3171393130 (a.u.)
total exchange computation time: 2.8027341366 s
-153.8680155994
Anderson extrapolation: theta=1.3604165640 (1.3604165640)
-931.34200727
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571220930
ExchangeOperator: pair fraction: ispin=0: 0.1386479178
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3169685858 (a.u.)
total exchange computation time: 2.8043689728 s
-153.8708206750
Anderson extrapolation: theta=0.0547202887 (0.0547202887)
-931.34217228
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571220930
ExchangeOperator: pair fraction: ispin=0: 0.1386479178
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3169042694 (a.u.)
total exchange computation time: 2.8034968376 s
-153.8713590415
Anderson extrapolation: theta=2.0055389755 (2.0000000000)
-931.34217887
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571220930
ExchangeOperator: pair fraction: ispin=0: 0.1386479178
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3167564822 (a.u.)
total exchange computation time: 2.8040759563 s
-153.8724971712
Anderson extrapolation: theta=0.2341325297 (0.2341325297)
-931.34218610
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571220930
ExchangeOperator: pair fraction: ispin=0: 0.1386479178
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3167173397 (a.u.)
total exchange computation time: 2.8016321659 s
-153.8727246460
Anderson extrapolation: theta=1.8133403192 (1.8133403192)
-931.34218748
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571220930
ExchangeOperator: pair fraction: ispin=0: 0.1386479178
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3166628816 (a.u.)
total exchange computation time: 2.8030891418 s
-153.8729604019
Anderson extrapolation: theta=0.2857257586 (0.2857257586)
-931.34218901
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571220930
ExchangeOperator: pair fraction: ispin=0: 0.1386479178
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3166640356 (a.u.)
total exchange computation time: 2.8042638302 s
-153.8728644204
Anderson extrapolation: theta=1.2767084100 (1.2767084100)
-931.34218934
-208.869154 50.601333 -160.015577
-133.814525 460.275585 -799.625580
-342.683679 510.876918 -959.641157
1139.885292
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571220930
ExchangeOperator: pair fraction: ispin=0: 0.1386479178
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3166774777 (a.u.)
total exchange computation time: 2.8018019199 s
678.22953964
-1082.14759516
89.74536996
-390.17025925
-174.68256724
77.37340100
551.60419304
0.00000000
-931.34218952
-10.93197928 -4.24764296 6.71228742
0.00003035 -0.00011010 -0.00001399
0.01303824 0.00159802 -0.01975388
-14.05474581 3.56722418 9.36638476
0.00031395 0.00014383 -0.00024969
0.01677125 -0.00832490 -0.01620437
-15.95401347 1.35716079 3.45530760
0.00016913 0.00020989 -0.00013549
-0.03007394 -0.01565006 -0.02952377
2.51726260 -19.83068252 12.79987826
0.00019058 -0.00009382 -0.00011048
0.01713542 0.02175981 0.05361444
9.63678228 20.38008453 1.06394032
-0.00005909 -0.00000835 0.00043434
-0.02131444 -0.00850189 -0.00092274
-12.01956418 12.56846486 15.14446126
-0.00032432 -0.00007776 0.00012671
0.00278462 0.03106219 -0.00194377
-6.26217375 1.46268789 -12.30281158
0.00013204 -0.00015648 -0.00024868
-0.00629717 0.03517121 -0.01796809
-7.39916226 7.79509377 -5.94113043
-0.00006071 -0.00002510 -0.00019262
-0.02262289 0.00078736 -0.00409412
-7.70778370 -4.35305906 17.79799204
-0.00012285 0.00012109 -0.00012157
-0.01118262 -0.00978574 0.03667089
-23.51170379 -5.04897407 -22.59648754
-0.00013696 -0.00017926 -0.00022838
0.00006311 0.00732435 -0.00615666
6.63691115 12.76215493 6.05434271
-0.00014393 0.00002409 -0.00003802
-0.02724487 0.01950496 -0.01498444
24.72070503 30.44108411 -2.91271254
0.00016403 0.00015600 -0.00019863
-0.00442462 0.03988104 -0.00388093
7.91641801 -1.16262718 -14.51987989
-0.00002322 0.00040201 -0.00011163
0.00703447 0.00611266 0.02490153
-7.29667127 -0.93258664 14.40290969
-0.00008368 0.00007596 -0.00018200
0.00299821 -0.01107949 -0.05642044
-1.81570999 -26.22922189 11.30661735
0.00034607 0.00004217 -0.00000425
-0.02310157 0.00715072 -0.00776446
-14.10550903 -4.54340333 -7.02017540
0.00024071 0.00023585 0.00008225
-0.00867745 0.00113992 -0.00071844
-20.00410588 -12.59043808 -17.76743404
-0.00009612 -0.00028846 0.00015840
0.01238604 0.02290762 0.01208925
22.74494862 3.60892935 3.00632444
0.00010376 -0.00017224 -0.00007263
-0.01786305 -0.01460651 0.02001199
17.76559540 -10.19932700 -14.35775996
-0.00007832 -0.00032816 -0.00011323
-0.05676754 0.00935662 -0.00629050
-2.05724558 1.85868197 -7.04764041
0.00024550 -0.00017264 0.00018130
-0.01182954 -0.02678297 -0.01723760
-4.20017646 -3.04027344 -15.61583044
-0.00022324 0.00002649 -0.00000363
-0.02699561 -0.00240419 -0.01889863
13.34948259 17.26130659 -20.07763380
0.00001451 0.00003598 0.00036469
0.02371091 0.00777131 0.00367109
-16.22285678 16.06431308 -12.11892637
0.00047883 0.00011428 0.00005240
-0.04205473 0.01275859 0.05618411
1.76354763 14.49643669 7.53670149
0.00067227 0.00044955 -0.00003433
0.02883704 -0.05709491 -0.00734116
-5.29622526 -9.64727495 2.18495058
-0.00022517 -0.00012989 0.00024736
-0.02559118 0.04006169 -0.03365332
3.09815168 -6.43175852 2.55944765
0.00002600 -0.00024193 0.00018816
-0.03469343 0.05385708 0.02169663
10.87243058 4.90008769 4.46729700
0.00009295 0.00011362 -0.00021722
-0.02989634 0.00796755 0.01029257
-8.53154889 -9.67694460 -2.74849953
0.00005823 0.00007609 -0.00029902
0.01904049 -0.02000804 0.00421600
3.15782523 -15.97545702 -13.20205397
-0.00010318 0.00020815 -0.00000561
-0.03988023 0.02755260 0.00890588
4.82235817 -8.43907681 -5.57456694
-0.00011134 0.00011697 0.00023208
0.01409092 0.03512528 -0.01964286
18.55226825 0.93214518 24.72447991
0.00000886 0.00026969 -0.00019387
0.00983544 -0.02300141 0.00327249
-8.36966011 3.12256960 1.11885040
-0.00053855 -0.00009108 0.00020045
0.00463352 0.00814757 -0.00313516
-7.76244455 14.21993911 -10.50403944
0.00042875 0.00004961 0.00030064
-0.01093152 -0.00724202 0.03754087
1.70022470 11.38726808 -8.97018618
0.00009241 0.00010576 -0.00004691
0.01269693 0.02376482 0.00133969
-11.75474689 10.05645527 -13.86686463
0.00021380 0.00023557 -0.00011032
-0.01343149 -0.01027417 0.04486723
7.07688602 4.37564212 14.68137200
-0.00047559 0.00023527 0.00003949
-0.00406533 0.00463339 0.04276950
-14.71325229 9.24120709 -9.16300167
-0.00027152 -0.00026987 0.00046149
-0.01479351 0.03745320 -0.01026524
8.49369448 8.28744212 -3.11460930
-0.00007546 -0.00014678 0.00004690
0.05830009 -0.00239964 0.06085661
13.72939877 -20.42644252 -25.79551723
0.00021974 -0.00011187 -0.00019072
-0.00436125 0.00799986 0.00709301
6.30000913 6.55574762 2.60631729
-0.00015733 0.00037064 -0.00023700
-0.01659024 -0.01981016 0.02717280
19.13253148 -5.76738300 -6.59126670
-0.00031891 0.00001000 -0.00027821
0.04140310 -0.02574175 -0.00696770
-1.69162541 0.02029252 -2.60122562
0.00002547 -0.00014982 -0.00026148
0.00109728 0.00335686 -0.01756793
2.37253584 -1.88017033 -12.23863859
0.00004742 0.00001939 0.00038366
-0.02039662 -0.00961668 0.00825300
20.37815976 9.36655703 -5.25893574
-0.00057393 0.00005867 -0.00006567
-0.03453049 -0.01189306 -0.03717727
-7.49152433 6.44915052 9.45936966
-0.00013779 -0.00008661 -0.00004066
-0.01111197 -0.00293698 -0.02495876
-2.64830329 -14.60506773 11.50072234
0.00025795 0.00007847 -0.00020691
0.01099990 0.02196006 0.00914340
8.12479859 0.35958582 -4.97133016
-0.00003375 -0.00033670 -0.00002940
0.01015270 -0.03458487 0.03893347
-0.06691990 -10.12923837 0.43596315
-0.00017176 -0.00024628 -0.00028111
-0.00868665 0.01124406 -0.01637893
-20.14348522 -1.34462855 4.76454405
-0.00018753 0.00031833 0.00006310
0.02301961 -0.03639445 0.01848287
-4.64472281 7.59592704 -23.56866457
0.00027810 0.00020361 -0.00030858
0.00053251 0.00771389 -0.01005372
2.56808073 2.34611585 -1.24219758
-0.00005931 -0.00000888 0.00039083
0.01563155 -0.02088529 -0.00154690
15.52745755 7.48221588 4.66034454
-0.00005755 -0.00036969 -0.00018253
-0.00670880 0.02567123 -0.04394916
-9.39601504 -4.71192638 7.53128402
-0.00094196 0.00041955 0.00046551
0.00538006 -0.00609805 0.01607693
-10.28175952 -3.74177866 5.03776531
0.00068715 -0.00023727 -0.00029438
-0.00655304 -0.01036996 0.00432195
-12.83988038 4.75035810 8.61594357
0.00028177 0.00043700 -0.00054958
-0.00914017 -0.00822063 0.00786236
-13.56027554 1.88482528 8.61051909
-0.00078779 -0.00007829 0.00004920
-0.00922750 0.02205925 0.00753165
-15.23360421 1.77816099 4.99853439
-0.00092535 0.00125099 0.00021372
0.02600346 0.00868329 0.03704434
-17.23763750 0.10292056 4.05868858
-0.00105018 -0.00011788 0.00021023
0.00170792 0.00959462 -0.00962297
3.04115788 -21.19049747 11.76318619
0.00056114 0.00029525 0.00048849
0.00170401 -0.02529402 -0.01747369
3.63030900 -19.91628464 14.36200218
0.00070053 0.00078657 0.00052087
-0.02106261 0.00717273 -0.03575542
8.53984557 18.89747397 1.17230104
0.00034045 -0.00060262 0.00020224
0.01547030 -0.01011262 -0.01187228
8.46768071 21.48162675 1.93139908
0.00036685 0.00021475 0.00002726
0.00315195 0.02529245 0.00719148
-10.95063587 11.81076014 16.40499161
-0.00047414 -0.00112230 0.00044904
0.00431170 0.00405078 0.00962735
-12.58601147 14.23666741 15.80393147
-0.00019363 0.00034896 -0.00002125
0.00756957 -0.01817658 -0.00679299
-5.37151411 0.22993770 -13.21486095
0.00049778 0.00000955 0.00029016
0.01142505 -0.02012710 -0.01474789
-6.74315248 0.72941609 -10.74568728
0.00051424 -0.00011764 -0.00146205
-0.00620059 -0.01506027 0.03240727
-6.81422208 6.36564995 -4.97700875
0.00013277 -0.00065661 0.00011500
0.00020609 -0.00178634 0.00233229
-9.18229655 7.92987667 -5.42292239
-0.00009070 0.00046762 0.00008232
0.01777587 -0.00312551 -0.00587782
-8.46579631 -3.26090771 19.13795683
0.00043391 0.00098342 0.00045634
0.01420919 -0.01478787 -0.02421832
-7.82173773 -6.06574035 18.52752935
-0.00046712 -0.00050947 -0.00004686
-0.00336276 0.01012198 -0.00458283
-23.25483605 -3.39696553 -23.37000421
-0.00057005 -0.00104007 -0.00023083
-0.00558328 -0.00352890 -0.00579673
-23.04525090 -4.74738371 -20.87651792
0.00033841 -0.00115127 0.00003081
-0.00398044 -0.00029822 0.00713883
6.64508058 13.32066231 4.28208158
0.00045265 -0.00015714 0.00016452
0.01381576 -0.00930565 0.01459806
8.10057893 11.80868276 6.51145092
0.00068231 0.00014574 0.00021279
0.01821033 -0.01033171 -0.00436812
24.79513942 28.79385963 -2.26675008
0.00051386 0.00008181 -0.00026007
-0.00225069 -0.02522739 0.01630633
23.99742125 31.63533247 -1.65620230
0.00018245 0.00047949 0.00043446
0.00491118 -0.01595015 -0.01010220
9.42691408 -2.25363390 -14.93687201
-0.00029127 0.00015630 -0.00093141
-0.01155150 0.00442638 0.00647614
7.92240957 -1.21428958 -12.66410635
0.00061586 -0.00170980 -0.00104340
-0.00595069 -0.00638688 -0.01762065
-7.45760450 -0.06730063 15.97698353
-0.00091733 0.00025356 0.00052287
-0.01317616 -0.00270793 0.01680467
-8.58285108 -2.20269136 13.95102152
-0.00128056 -0.00013846 0.00033132
0.01397738 0.01929207 0.02674889
-2.67480239 -26.65266541 12.93355135
0.00002701 0.00011999 -0.00079248
0.01424004 -0.00119073 -0.00434258
-3.19625725 -25.89170895 10.10397478
-0.00043673 0.00004187 0.00012224
0.01487056 -0.00350744 0.00274121
-14.46963835 -2.88606370 -6.26680313
-0.00112996 0.00014972 0.00030382
0.00659253 -0.00154865 -0.00266352
-14.87291587 -4.57777629 -8.68718298
0.00057260 -0.00032369 0.00004892
0.00230079 -0.00111021 -0.00229497
-19.25413424 -11.12407579 -16.76397449
0.00014238 0.00086300 -0.00001474
-0.00247153 -0.03886505 -0.02453521
-18.61248263 -13.69849713 -18.35641287
0.00096913 0.00114728 0.00048615
-0.00188872 0.01488416 0.01272766
23.75822844 3.19289589 1.49523054
0.00132161 0.00075023 0.00078606
0.00299556 0.02014171 -0.00259077
22.84818033 5.16835113 3.95134746
0.00003758 -0.00021994 -0.00023673
0.01038466 -0.00135078 -0.01376948
16.15815251 -9.95389449 -13.29778305
-0.00067225 -0.00037427 0.00042972
0.03783457 -0.00057937 -0.01486533
17.04956024 -9.89622549 -16.09239588
-0.00047654 -0.00075180 0.00023610
0.01983770 -0.00229621 0.02296394
-0.57210258 2.25832048 -8.03781694
0.00049782 -0.00040116 -0.00015660
0.01365875 0.00787872 -0.00036785
-2.24155893 0.06325052 -7.55417697
0.00016419 -0.00063239 0.00144277
-0.00769146 0.02174826 0.00641019
-5.68469302 -3.49391144 -16.69655338
0.00012683 -0.00114985 -0.00033654
0.02538673 0.00299205 0.01748857
-3.43777359 -1.71828533 -16.63893090
-0.00081804 0.00057634 0.00011394
0.00095827 0.00275920 -0.00357739
12.82959445 18.89901680 -20.77709702
-0.00072084 0.00047193 0.00068477
-0.00957724 -0.01703049 0.00116707
11.93801765 16.09931666 -20.09655083
0.00036842 0.00050571 0.00010102
-0.00748936 0.00648315 -0.00785649
-15.35249786 15.64390618 -13.57160884
0.00066728 0.00028176 -0.00114162
0.02514193 -0.01495803 -0.04370053
-17.83055333 15.11360131 -12.29008220
-0.00008500 -0.00036937 0.00082219
0.01837254 0.00437307 -0.00306103
2.75941433 14.99672114 6.07674127
-0.00027878 -0.00052859 -0.00074472
-0.00987972 0.01177936 0.00043784
0.70188056 15.66435148 8.26052034
-0.00026251 0.00018671 0.00010316
-0.03087099 0.04315712 0.00842961
-6.13130291 -8.23310348 1.09345755
0.00080636 0.00019421 0.00009631
0.02008872 -0.03896112 0.03728067
-3.54340324 -9.50090980 1.66453100
-0.00016480 -0.00090485 0.00004897
0.01007747 -0.00545492 0.00176351
2.29524473 -4.60227953 2.89800524
-0.00006116 0.00004089 0.00036889
0.04385573 -0.05585917 -0.01319504
4.48689719 -6.43175937 1.35073017
-0.00002763 -0.00101819 0.00021050
0.00082374 0.00952645 0.00166446
9.18125630 5.73732870 4.25062314
-0.00055051 0.00014300 -0.00063865
0.02485925 -0.00667210 -0.00624902
12.10393486 6.23020566 4.74451914
-0.00029396 0.00028256 0.00000228
0.00600097 0.00390131 -0.00068575
-7.32521581 -11.14168623 -2.36377062
0.00031634 0.00078853 -0.00105611
-0.03651457 0.03239742 -0.00193247
-9.78140957 -9.31903640 -1.41878528
-0.00002534 0.00069232 -0.00025522
0.01191519 -0.01218911 -0.00507289
4.47638708 -16.56739772 -14.16682720
-0.00004356 0.00013517 0.00030272
0.03867920 -0.01280658 -0.02945959
3.45166565 -16.82174475 -11.65303412
0.00221607 -0.00138787 0.00016773
-0.00526444 -0.01036299 0.02092650
5.81992888 -6.86536074 -6.00237087
-0.00049578 -0.00019423 0.00062018
-0.01261491 -0.02087257 -0.00431580
4.98669530 -8.29019028 -3.79892895
0.00036288 0.00107975 0.00091568
-0.00383002 -0.01016550 0.02514305
16.78463971 1.39056713 24.58573669
-0.00022657 0.00038282 0.00046479
0.00557002 0.01894944 -0.00122676
19.85037179 2.27760738 24.84923900
0.00020957 0.00008196 -0.00128769
-0.01781735 0.00256422 0.00043217
-9.78731493 3.42581161 2.34247997
0.00018900 0.00155095 0.00000927
0.00864248 0.00522427 -0.00805474
-7.60777778 4.78898844 0.81476930
0.00053159 -0.00043423 0.00029029
-0.00362967 -0.01200680 0.00824800
-6.41362091 14.42310316 -9.20872695
-0.00019146 -0.00081953 -0.00000644
-0.01883090 -0.00110645 -0.01748268
-9.32370195 13.77916940 -9.45445574
-0.00005733 -0.00035884 0.00044074
0.03047952 0.00637150 -0.02083916
0.12414309 10.88884197 -8.17235906
0.00039593 0.00004049 0.00098445
0.01054728 0.00504723 0.01040920
2.63441241 12.64444387 -7.83921699
-0.00003820 -0.00080628 0.00030948
-0.02185297 -0.02965922 -0.01230684
-10.27151976 8.94629247 -13.73774232
0.00097271 0.00003850 -0.00033305
-0.00993304 0.00712964 0.00172553
-12.65314118 9.90684441 -12.11178015
-0.00053803 0.00026696 0.00014118
0.02116282 -0.00182790 -0.04252388
7.20665484 6.14350730 15.30285565
0.00033437 0.00058631 -0.00053758
-0.00044079 -0.02501131 -0.03867559
7.17082960 4.08459446 12.89263872
-0.00005429 0.00049913 0.00003209
0.00928910 0.01834929 -0.01172078
-13.88004139 10.81162368 -8.38450453
0.00054368 -0.00076298 -0.00069468
-0.00989912 -0.02451952 -0.00515474
-16.33742895 9.93132030 -9.83607711
-0.00005376 0.00042581 -0.00076391
0.01952937 -0.01620403 0.01257409
8.57862721 9.85300245 -2.12109236
-0.00078949 -0.00025423 -0.00089117
-0.00520856 -0.00944214 -0.01326637
7.26597534 8.47286376 -4.29227460
0.00121068 -0.00032614 -0.00118732
-0.05347700 0.01934353 -0.04143316
12.10808720 -20.32078863 -26.64678959
-0.00066499 0.00056532 0.00014325
0.00415761 0.00124178 0.00894428
13.55125991 -19.78473252 -23.99129662
0.00059719 -0.00069932 0.00001971
-0.00205998 -0.01197630 -0.01759864
5.65900203 4.75014232 2.74902815
-0.00011056 -0.00102229 -0.00029599
0.01269842 0.02711970 -0.01885997
6.32292517 7.26131937 0.93783017
0.00016609 0.00052541 0.00030962
0.00102188 -0.01187816 -0.01022834
20.55852231 -6.53712452 -5.65431795
0.00035178 0.00003430 -0.00001410
-0.02171405 0.01026866 -0.01170973
17.88986233 -5.28386939 -5.42772631
-0.00025266 -0.00030610 -0.00020820
-0.02658930 0.01529761 0.02606045
-2.88029701 0.22779556 -1.28207790
0.00131769 0.00061716 -0.00030234
-0.01087174 0.00211259 0.02667414
-2.43799774 1.02912616 -4.00057826
-0.00072018 -0.00031489 0.00053961
0.01695505 -0.00906801 0.00128099
3.55379883 -3.32020183 -12.12202872
-0.00050592 0.00109734 -0.00024754
-0.00837131 0.00893796 -0.00070455
0.61179256 -2.39748530 -11.45950780
-0.00060430 -0.00045898 -0.00004496
0.03618635 -0.00197966 -0.01568911
19.69925770 8.26945729 -6.66393193
-0.00200578 -0.00001047 -0.00040191
0.01414347 0.01958333 0.02565758
21.92763846 8.59112052 -4.72863604
0.00020456 -0.00016063 -0.00000763
0.01940732 -0.00629477 0.00506175
-7.53555943 4.68845794 8.89502474
0.00036741 -0.00009284 -0.00002742
0.00379972 -0.00008093 0.00310021
-7.47844977 6.24774959 11.22216932
-0.00058753 -0.00013710 0.00114792
-0.00218426 0.00065006 0.02950724
-3.02401444 -16.37100768 11.55367185
-0.00046950 -0.00006981 -0.00091357
-0.01065334 -0.00490767 -0.00087718
-4.13740954 -13.56182240 11.74537594
-0.00023235 0.00002088 -0.00023844
-0.00026036 -0.01769895 -0.00411795
8.35158214 0.47005993 -3.13173127
0.00064551 0.00062554 0.00090376
-0.00096201 -0.00634476 -0.01641053
7.78323444 2.02711476 -5.52953861
0.00025328 0.00012434 -0.00047770
-0.00893794 0.03122235 -0.01970368
1.24223034 -10.65451122 1.58256294
0.00004978 -0.00004903 -0.00012282
-0.00018620 -0.00357398 0.01695225
0.16252528 -8.29469566 0.23715477
-0.00032907 -0.00037586 0.00069032
0.00170690 -0.01368739 -0.00361867
-20.02958153 -1.32513834 6.64702658
-0.00062947 0.00006954 -0.00050524
0.00060689 -0.00884812 -0.00355993
-21.03076871 0.12420707 4.39294258
-0.00049159 -0.00013487 0.00054298
-0.02485089 0.04068583 -0.01358394
-3.75499933 8.46388489 -24.94396084
-0.00093241 -0.00034884 0.00031283
0.00440852 -0.01983272 -0.02281448
-4.41204484 9.05691862 -22.57087288
-0.00026213 -0.00025845 0.00001075
-0.00483323 0.01089597 0.04088597
3.76189900 0.97028618 -0.92126300
0.00076037 -0.00030071 0.00010554
-0.00252416 0.01536231 -0.00245913
1.15740139 1.41223644 -2.03927825
0.00079668 -0.00192040 0.00083481
-0.00941029 0.00568824 0.00237380
15.98461420 7.47312262 6.39968413
-0.00052965 0.00019852 0.00066622
0.00637808 0.01140130 0.01436428
15.82654745 9.18258246 3.84415405
0.00030325 0.00068098 -0.00051784
-0.00204383 -0.03227834 0.02253520
-0.34789098 -11.81636373 -13.29856341
0.00005069 -0.00000462 0.00023892
0.00999505 -0.00207598 -0.00192752
-13.93726153 14.50258346 22.16832677
-0.00001544 -0.00011665 0.00014837
-0.00052149 -0.00350837 0.00016828
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02828837
0.31390115
418.25754433
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571220930
ExchangeOperator: pair fraction: ispin=0: 0.1386479178
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.3030063258 (a.u.)
total exchange computation time: 2.8043859005 s
-153.8191873352
-931.33953257
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571220930
ExchangeOperator: pair fraction: ispin=0: 0.1386479178
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3030962026 (a.u.)
total exchange computation time: 2.8039429188 s
-153.8197472985
Anderson extrapolation: theta=1.3581776966 (1.3581776966)
-931.33980652
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571220930
ExchangeOperator: pair fraction: ispin=0: 0.1386479178
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3031816488 (a.u.)
total exchange computation time: 2.8031120300 s
-153.8207308548
Anderson extrapolation: theta=0.0542804249 (0.0542804249)
-931.33997226
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571220930
ExchangeOperator: pair fraction: ispin=0: 0.1386479178
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3031501292 (a.u.)
total exchange computation time: 2.8035070896 s
-153.8210529840
Anderson extrapolation: theta=1.9915871179 (1.9915871179)
-931.33997902
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571220930
ExchangeOperator: pair fraction: ispin=0: 0.1386479178
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3030700633 (a.u.)
total exchange computation time: 2.8041031361 s
-153.8217404816
Anderson extrapolation: theta=0.2273124563 (0.2273124563)
-931.33998680
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571220930
ExchangeOperator: pair fraction: ispin=0: 0.1386479178
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.3030458882 (a.u.)
total exchange computation time: 2.8029150963 s
-153.8218628502
Anderson extrapolation: theta=1.8229384571 (1.8229384571)
-931.33998841
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571220930
ExchangeOperator: pair fraction: ispin=0: 0.1386479178
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.3030127213 (a.u.)
total exchange computation time: 2.8043510914 s
-153.8219413436
Anderson extrapolation: theta=0.2782031342 (0.2782031342)
-931.33999048
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571220930
ExchangeOperator: pair fraction: ispin=0: 0.1386479178
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.3030147691 (a.u.)
total exchange computation time: 2.8020150661 s
-153.8218313024
Anderson extrapolation: theta=1.2910011191 (1.2910011191)
-931.33999099
-208.912626 50.558405 -159.964985
-133.804730 460.278686 -799.646082
-342.717356 510.837091 -959.611067
1139.852236
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571220930
ExchangeOperator: pair fraction: ispin=0: 0.1386479178
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3030252451 (a.u.)
total exchange computation time: 2.8017959595 s
678.01442842
-1081.70045790
89.77002907
-390.47402161
-174.64694418
77.12871773
551.60419304
0.00000000
-931.33999146
-10.93147372 -4.24928823 6.71200144
0.00003586 -0.00010866 -0.00002545
0.00838125 0.00400010 -0.02481487
-14.04997193 3.56934946 9.36257694
0.00032249 0.00014029 -0.00025788
0.01644070 -0.00543736 -0.01565416
-15.95159256 1.36024878 3.45316139
0.00015281 0.00020108 -0.00014981
-0.03339446 -0.01861082 -0.02614979
2.52018742 -19.83200584 12.79842787
0.00019964 -0.00008174 -0.00008159
0.01810429 0.02521969 0.05872707
9.63581377 20.37992649 1.07045181
-0.00006968 -0.00001342 0.00043350
-0.01989153 -0.01122334 -0.00232031
-12.02441826 12.56741835 15.14635440
-0.00032226 -0.00006211 0.00012643
0.00523566 0.02977881 0.00086141
-6.26021747 1.46047641 -12.30661111
0.00012933 -0.00013734 -0.00025985
-0.00421620 0.03922592 -0.02545837
-7.40016018 7.79472026 -5.94403555
-0.00007197 -0.00002574 -0.00019398
-0.02117718 -0.00327020 -0.00120281
-7.70966964 -4.35128052 17.79630991
-0.00012894 0.00011577 -0.00010177
-0.01249861 -0.01090162 0.04034508
-23.51375790 -5.05163475 -22.59993703
-0.00013709 -0.00017703 -0.00023048
-0.00056876 0.00134006 -0.00199878
6.63464717 12.76259148 6.05371466
-0.00015663 0.00003314 -0.00004499
-0.02215547 0.01570284 -0.01213545
24.72314847 30.44357801 -2.91570693
0.00016136 0.00017686 -0.00019996
-0.00597166 0.04120525 -0.00129320
7.91609687 -1.15657345 -14.52145825
-0.00001935 0.00040486 -0.00010040
0.00801348 0.00498210 0.01875269
-7.29791488 -0.93148993 14.39996209
-0.00008344 0.00007009 -0.00020964
-0.00205170 -0.01176860 -0.05106976
-1.81060805 -26.22856179 11.30652364
0.00033369 0.00004609 -0.00000953
-0.02505907 0.00809424 -0.01274723
-14.10193184 -4.53986125 -7.01894440
0.00023624 0.00023679 0.00008229
-0.00869799 0.00251568 0.00086232
-20.00549994 -12.59467656 -17.76501144
-0.00008926 -0.00027551 0.00016522
0.01428912 0.02742510 0.01444911
22.74643619 3.60628947 3.00531219
0.00009458 -0.00017970 -0.00006234
-0.01784186 -0.01441335 0.02000094
17.76420163 -10.20421332 -14.35948262
-0.00010810 -0.00032335 -0.00011555
-0.05905486 0.00936051 -0.00275271
-2.05360876 1.85598908 -7.04498737
0.00023990 -0.00018632 0.00017212
-0.00995351 -0.02641987 -0.01847035
-4.20362912 -3.03988539 -15.61595774
-0.00023714 0.00002523 -0.00001354
-0.02706500 -0.00249766 -0.01963689
13.34979167 17.26187628 -20.07214924
0.00002716 0.00004140 0.00036626
0.02549699 0.01330371 0.00243109
-16.21583653 16.06607644 -12.11792357
0.00045806 0.00011971 0.00007899
-0.03870289 0.00836840 0.04721298
1.77374286 14.50295965 7.53615819
0.00068593 0.00042090 -0.00003697
0.02430485 -0.05429743 -0.00293139
-5.29970149 -9.64906875 2.18853116
-0.00023788 -0.00010939 0.00023006
-0.02385894 0.03963838 -0.03360201
3.09840779 -6.43517969 2.56235369
0.00000790 -0.00021421 0.00019949
-0.03568440 0.05393480 0.02235666
10.87370950 4.90182277 4.46407842
0.00007668 0.00011802 -0.00021203
-0.03335404 0.00911123 0.00989025
-8.53060203 -9.67588036 -2.75296850
0.00006732 0.00006666 -0.00029706
0.01632335 -0.01669110 0.00338650
3.15612363 -15.97222850 -13.20210380
-0.00012286 0.00022066 0.00000161
-0.03663191 0.02108812 0.01917544
4.82074237 -8.43718681 -5.57116153
-0.00010429 0.00013461 0.00022423
0.01333261 0.03347327 -0.01086927
18.55243911 0.93610179 24.72158441
0.00001345 0.00025784 -0.00019221
0.00800461 -0.02308423 0.00319776
-8.37772048 3.12123485 1.12184510
-0.00053545 -0.00008666 0.00019839
0.00742206 0.00902680 -0.00490778
-7.75605544 14.22065525 -10.49938509
0.00042162 0.00004545 0.00031939
-0.01681605 -0.00891276 0.03537296
1.70165985 11.38894613 -8.97088468
0.00009826 0.00011751 -0.00004614
0.01004521 0.02194278 0.00163784
-11.75159169 10.05994921 -13.86834636
0.00020745 0.00022971 -0.00008691
-0.01124566 -0.01251012 0.04618502
7.06973650 4.37918904 14.68212938
-0.00047759 0.00023792 0.00006136
-0.00371911 0.00566744 0.04225131
-14.71738218 9.23730353 -9.15611895
-0.00027981 -0.00025095 0.00045546
-0.01743705 0.03612846 -0.01316501
8.49278746 8.28523120 -3.11367112
-0.00004593 -0.00014887 0.00007751
0.05652741 -0.00573121 0.05821189
13.73267803 -20.42808969 -25.79835060
0.00021639 -0.00010768 -0.00018761
-0.00866838 0.00829934 0.00497760
6.29758525 6.56123076 2.60286708
-0.00016625 0.00035865 -0.00022202
-0.01812191 -0.02679934 0.03110206
19.12790751 -5.76733222 -6.59546665
-0.00029685 -0.00000360 -0.00028133
0.04439465 -0.02716903 -0.00520326
-1.69123912 0.01805815 -2.60521559
0.00002714 -0.00014862 -0.00027120
0.00541098 0.00131233 -0.02023584
2.37316853 -1.87991653 -12.23285188
0.00003522 0.00001597 0.00038779
-0.02705477 -0.00370239 0.00782931
20.36941757 9.36739120 -5.26006419
-0.00059078 0.00005160 -0.00008503
-0.03097113 -0.01561310 -0.03812725
-7.49363408 6.44784010 9.45866355
-0.00014343 -0.00008829 -0.00005066
-0.01083073 -0.00362226 -0.01394226
-2.64439163 -14.60380600 11.49765400
0.00026275 0.00008941 -0.00020204
0.00765192 0.02058090 0.00979025
8.12433147 0.35440189 -4.97162095
-0.00002853 -0.00035305 -0.00000805
0.01016523 -0.02899809 0.04409187
-0.06952982 -10.13288922 0.43168336
-0.00017584 -0.00024101 -0.00028903
-0.00717906 0.00924606 -0.01441915
-20.14620930 -1.33999402 4.76556183
-0.00017540 0.00029925 0.00007187
0.02411996 -0.03780812 0.01562304
-4.64054921 7.59901092 -23.57333209
0.00027719 0.00020618 -0.00031227
-0.00407030 0.00227209 -0.00426935
2.56725139 2.34590207 -1.23634107
-0.00005052 -0.00002101 0.00039000
0.01854319 -0.02627681 -0.00167843
15.52656846 7.47676956 4.65743700
-0.00006031 -0.00035515 -0.00020422
-0.00402248 0.03085822 -0.04037121
-9.40997963 -4.70581996 7.53875928
-0.00090934 0.00039171 0.00053695
0.01059125 -0.00753330 0.01889496
-10.27165302 -3.74565543 5.03348212
0.00065874 -0.00028134 -0.00027163
-0.00735498 -0.01120355 0.00681142
-12.83593387 4.75666114 8.60794074
0.00024241 0.00039955 -0.00051656
-0.01012975 -0.01011087 0.00830376
-13.57237510 1.88432684 8.61148785
-0.00082310 0.00000957 0.00007816
-0.00805659 0.02095251 0.00664484
-15.24668769 1.79719198 5.00287536
-0.00082161 0.00128535 0.00036163
0.02478195 0.00813560 0.03535842
-17.25333780 0.10144633 4.06154713
-0.00103459 -0.00007096 0.00016743
0.00592137 0.01337561 -0.01132776
3.04962727 -21.18684376 11.76997807
0.00057060 0.00018537 0.00041278
0.00292527 -0.02849367 -0.01958569
3.64017148 -19.90426624 14.36871952
0.00061013 0.00081539 0.00036871
-0.02318796 0.00693091 -0.03872419
8.54542636 18.88812482 1.17497088
0.00040437 -0.00063968 0.00015438
0.01582023 -0.00803120 -0.01155885
8.47328002 21.48562301 1.93202840
0.00037621 0.00031898 0.00005892
0.00142937 0.02573112 0.00830702
-10.95761581 11.79404976 16.41202225
-0.00046220 -0.00110005 0.00048224
0.00153351 0.00684053 0.00662524
-12.58868394 14.24134476 15.80340463
-0.00016157 0.00027189 -0.00004909
0.00812133 -0.01954872 -0.00683483
-5.36369738 0.22946414 -13.21096049
0.00054617 -0.00007373 0.00022744
0.01226652 -0.02063679 -0.01595152
-6.73562883 0.72718995 -10.76662494
0.00048269 -0.00018601 -0.00131194
-0.00924597 -0.01840747 0.04107203
-6.81222417 6.35574601 -4.97521228
0.00012916 -0.00065496 0.00011863
-0.00197298 0.00259492 -0.00055601
-9.18311230 7.93679515 -5.42186772
-0.00001655 0.00045392 0.00005838
0.01851719 -0.00358071 -0.00583842
-8.45885221 -3.24660952 19.14405985
0.00049449 0.00091718 0.00035226
0.01544396 -0.01763772 -0.02672975
-7.82884757 -6.07307221 18.52668598
-0.00048058 -0.00046021 -0.00006785
-0.00322835 0.01398981 -0.00569222
-23.26355789 -3.41267469 -23.37364434
-0.00059079 -0.00104316 -0.00025785
-0.00457137 0.00201438 -0.00742851
-23.04029670 -4.76466184 -20.87583696
0.00032140 -0.00115150 0.00005521
-0.00434623 0.00018129 0.00480442
6.65229365 13.31802006 4.28499664
0.00050847 -0.00019349 0.00022024
0.01350892 -0.00848592 0.01267821
8.11137161 11.81055225 6.51450886
0.00074735 0.00010929 0.00019286
0.01362430 -0.00750799 -0.00538529
24.80277835 28.79431374 -2.27015145
0.00050453 -0.00001898 -0.00019422
-0.00231858 -0.02411012 0.01592573
24.00030851 31.64203606 -1.64999492
0.00020502 0.00040951 0.00038802
0.00613834 -0.01830531 -0.01263215
9.42219107 -2.25115375 -14.95064476
-0.00033900 0.00017540 -0.00090591
-0.01181077 0.00492087 0.00600892
7.93146508 -1.24013227 -12.68029723
0.00059036 -0.00173499 -0.00110195
-0.00653053 -0.00594639 -0.01104229
-7.47176820 -0.06358019 15.98534160
-0.00096862 0.00023709 0.00057970
-0.01192995 -0.00535351 0.01100988
-8.60163111 -2.20417703 13.95681104
-0.00121546 -0.00005302 0.00044126
0.01788787 0.02253126 0.02706801
-2.67396091 -26.65090202 12.92153112
0.00008328 0.00011361 -0.00080307
0.01330537 -0.00193320 -0.00084120
-3.20235245 -25.89118838 10.10589235
-0.00037055 0.00002677 0.00013600
0.01752049 -0.00388397 0.00399643
-14.48638571 -2.88386533 -6.26232743
-0.00110154 0.00014001 0.00029098
0.00731669 -0.00320526 -0.00362138
-14.86425634 -4.58266564 -8.68651952
0.00058090 -0.00032805 0.00003820
0.00176347 -0.00102515 -0.00295337
-19.25207426 -11.11232167 -16.76494739
0.00012782 0.00069847 -0.00011798
-0.00465436 -0.04167680 -0.02600101
-18.59800363 -13.68083185 -18.34873057
0.00096162 0.00120453 0.00053637
-0.00178490 0.01314314 0.01185350
23.77814440 3.20476657 1.50694198
0.00133340 0.00083023 0.00077367
0.00277370 0.01901804 -0.00347037
22.84906232 5.16501069 3.94737451
0.00007968 -0.00022355 -0.00029068
0.01022019 -0.00041752 -0.01263540
16.14922813 -9.95952636 -13.29179272
-0.00051200 -0.00037701 0.00036543
0.04060677 -0.00076176 -0.01660404
17.04301996 -9.90757279 -16.08815066
-0.00039646 -0.00076027 0.00032667
0.01936512 -0.00185112 0.02137124
-0.56421673 2.25254452 -8.04017717
0.00054879 -0.00037105 -0.00015551
0.01129263 0.00686033 0.00090177
-2.23933173 0.05443114 -7.53233900
0.00013372 -0.00054206 0.00146800
-0.00722625 0.02246649 0.00594002
-5.68201270 -3.51106746 -16.70106564
0.00023166 -0.00113640 -0.00026410
0.02592886 0.00359229 0.01797218
-3.45001486 -1.70955561 -16.63733136
-0.00081491 0.00058652 0.00009973
0.00057268 0.00221952 -0.00338109
12.81848837 18.90557384 -20.76678974
-0.00075743 0.00039790 0.00069132
-0.00833545 -0.01920649 0.00203815
11.94331448 16.10710099 -20.09527631
0.00033158 0.00052567 0.00006937
-0.01054306 0.00328859 -0.00763775
-15.34171819 15.64767420 -13.59007231
0.00075619 0.00022542 -0.00130053
0.01837769 -0.01262199 -0.03408357
-17.83126535 15.10819469 -12.27784319
-0.00000241 -0.00034699 0.00080832
0.02205731 0.00658402 -0.00372946
2.75492993 14.98915330 6.06558385
-0.00031753 -0.00047805 -0.00074528
-0.00908902 0.01296002 -0.00070929
0.69699697 15.66847453 8.26232606
-0.00038131 0.00035471 0.00013148
-0.02728237 0.03908075 0.00543236
-6.11859191 -8.23138418 1.09604454
0.00088571 0.00003623 0.00024759
0.01875136 -0.03837372 0.03677387
-3.54556647 -9.51464971 1.66531966
-0.00012433 -0.00092762 0.00005689
0.00973203 -0.00568880 0.00210961
2.29567116 -4.60337792 2.90313426
0.00011898 -0.00018822 0.00031402
0.04432609 -0.05629044 -0.01366379
4.48650795 -6.44674037 1.35393870
-0.00002359 -0.00097822 0.00021663
0.00115254 0.01004171 0.00133583
9.17376047 5.73926919 4.24085191
-0.00044341 0.00011333 -0.00066346
0.02756477 -0.00785121 -0.00589578
12.09970928 6.23456366 4.74453230
-0.00026868 0.00029956 -0.00000030
0.00637504 0.00441853 -0.00057617
-7.32158963 -11.12886553 -2.37967146
0.00017021 0.00091582 -0.00106096
-0.03501833 0.02991290 -0.00044380
-9.78142460 -9.30902506 -1.42276899
0.00002561 0.00064083 -0.00027714
0.01302566 -0.01301535 -0.00565615
4.47691886 -16.56576263 -14.16318917
0.00011443 0.00008438 0.00017874
0.03865977 -0.01205418 -0.03122735
3.48474531 -16.84288035 -11.64987697
0.00218769 -0.00141835 0.00023573
-0.00862736 -0.00455809 0.01236201
5.81210565 -6.86891373 -5.99320043
-0.00054384 -0.00027422 0.00059879
-0.01091306 -0.01828358 -0.00615418
4.99202106 -8.27430555 -3.78442330
0.00034549 0.00103596 0.00100446
-0.00467876 -0.01126873 0.01831758
16.78141188 1.39689010 24.59267101
-0.00020069 0.00045922 0.00045950
0.00709502 0.01845028 -0.00136537
19.85296943 2.27891532 24.82993695
0.00013727 0.00009328 -0.00128493
-0.01757515 0.00297799 0.00091864
-9.78421503 3.44923594 2.34237220
0.00021922 0.00157069 -0.00001992
0.00614896 0.00443977 -0.00623638
-7.59991511 4.78210710 0.81937644
0.00051660 -0.00048449 0.00032314
-0.00370767 -0.01259488 0.00782986
-6.41706980 14.41077638 -9.20935931
-0.00026025 -0.00082230 -0.00007064
-0.01484311 -0.00025303 -0.01394306
-9.32362793 13.77398200 -9.44848314
0.00007089 -0.00033140 0.00035291
0.03228494 0.00706333 -0.02215605
0.13040518 10.88960405 -8.15727339
0.00044046 0.00006045 0.00102462
0.01125369 0.00472040 0.00925774
2.63316973 12.63144076 -7.83495184
-0.00012392 -0.00092305 0.00026079
-0.02010572 -0.02750003 -0.01153167
-10.25723342 8.94708849 -13.74268520
0.00092395 0.00007270 -0.00032526
-0.01393970 0.00960779 0.00208979
-12.66056314 9.91079279 -12.11096551
-0.00044788 0.00025872 -0.00003591
0.02296451 -0.00220742 -0.04416119
7.21165688 6.15153547 15.29360683
0.00033171 0.00048238 -0.00069479
-0.00085993 -0.02586287 -0.03828275
7.17029994 4.09264364 12.89276096
-0.00001593 0.00057274 -0.00001558
0.00948662 0.01768562 -0.01161750
-13.87218948 10.79942767 -8.39508266
0.00050402 -0.00085777 -0.00071272
-0.00951585 -0.02188246 -0.00367513
-16.33763695 9.93721097 -9.84715041
0.00003029 0.00035754 -0.00070936
0.02161445 -0.01721719 0.01412749
8.56662520 9.84889973 -2.13486638
-0.00080974 -0.00028509 -0.00093990
-0.00470056 -0.00566609 -0.01058714
7.28249684 8.46856433 -4.31135405
0.00099498 -0.00024783 -0.00135670
-0.05210779 0.01899224 -0.04147990
12.09823981 -20.31227082 -26.64436684
-0.00063907 0.00056939 0.00018392
0.00852892 0.00075218 0.01096588
13.56015469 -19.79558926 -23.99154027
0.00058827 -0.00074731 -0.00005148
-0.00230727 -0.01151647 -0.01725098
5.65773269 4.73563906 2.74401035
-0.00005478 -0.00090031 -0.00037380
0.01460671 0.03258902 -0.01922593
6.32544790 7.26883657 0.94216109
0.00017030 0.00047923 0.00026091
0.00103476 -0.01072951 -0.01361581
20.56313357 -6.53629542 -5.65488831
0.00025704 0.00007916 -0.00006559
-0.02465802 0.01169075 -0.01349519
17.88525759 -5.28799215 -5.43005066
-0.00036135 -0.00024372 -0.00010162
-0.02661396 0.01524002 0.02610824
-2.86086479 0.23711769 -1.28579559
0.00126493 0.00062644 -0.00018230
-0.01495264 0.00243101 0.03208415
-2.44828093 1.02412497 -3.99244485
-0.00065125 -0.00034908 0.00054049
0.01678853 -0.00767092 -0.00084921
3.54595346 -3.30346783 -12.12576342
-0.00053002 0.00112053 -0.00024900
-0.00342283 0.00241193 -0.00001106
0.60383691 -2.40443071 -11.46066303
-0.00045320 -0.00046587 -0.00010925
0.03777648 -0.00138949 -0.01578112
19.66960435 8.26990035 -6.66917440
-0.00194223 0.00007333 -0.00029076
0.01696417 0.02143496 0.02875500
21.93130162 8.58851811 -4.72859546
0.00027235 -0.00018230 0.00000837
0.01377395 -0.00430935 0.00277312
-7.52993183 4.68706281 8.89470842
0.00038266 -0.00009368 -0.00001434
0.00366621 -0.00032838 0.00330340
-7.48732963 6.24571307 11.24029237
-0.00059684 -0.00013238 0.00124572
-0.00237488 0.00165911 0.01836456
-3.03138344 -16.37220516 11.53994148
-0.00051102 -0.00008538 -0.00091742
-0.00966765 -0.00271469 -0.00100976
-4.14090281 -13.56205157 11.74167312
-0.00022883 -0.00005329 -0.00025628
0.00198489 -0.01860938 -0.00461366
8.36123533 0.47924864 -3.11867778
0.00063942 0.00059827 0.00082295
-0.00202190 -0.00700451 -0.02314395
7.78675972 2.02993663 -5.53730787
0.00021847 0.00024276 -0.00055504
-0.00810245 0.02674528 -0.01815565
1.24297131 -10.65535622 1.58124011
0.00004617 -0.00006379 -0.00005559
-0.00157881 -0.00364847 0.01595630
0.15764159 -8.30075295 0.24739864
-0.00032201 -0.00042801 0.00067379
0.00174817 -0.01184126 -0.00447113
-20.03900503 -1.32436642 6.63933896
-0.00062562 0.00003290 -0.00051215
0.00127914 -0.00908406 0.00017355
-21.03890400 0.12343072 4.40067108
-0.00059581 0.00003493 0.00048564
-0.02616808 0.04243574 -0.01448823
-3.76885040 8.45804451 -24.93996755
-0.00090570 -0.00042153 0.00020708
0.00866573 -0.01574796 -0.02895138
-4.41612495 9.05337575 -22.56945878
-0.00028128 -0.00021156 0.00017908
-0.00453906 0.01205742 0.04151458
3.77322716 0.96624632 -0.91975532
0.00074563 -0.00023011 0.00009490
-0.00468793 0.01919477 -0.00274603
1.16906325 1.38360470 -2.02668329
0.00075730 -0.00189333 0.00084416
-0.00986579 0.00756239 0.00220037
15.97686492 7.47644983 6.41011759
-0.00050656 0.00024490 0.00071313
0.00492274 0.01130116 0.00859946
15.83103358 9.19180809 3.83707701
0.00029256 0.00053893 -0.00042133
-0.00318722 -0.03725589 0.02470617
-0.34710375 -11.81643864 -13.29498481
0.00005429 -0.00000536 0.00023822
0.01010324 -0.00204375 -0.00195539
-13.93749398 14.50082765 22.17055260
-0.00001557 -0.00011745 0.00014840
-0.00059163 -0.00339553 0.00013891
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02825657
0.31173490
415.37112097
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1383450514
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.2905833963 (a.u.)
total exchange computation time: 2.7846450806 s
-153.7780158885
-931.33881095
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1383450514
ExchangeOperator: bisection time: 1.332 s
total exchange = -52.2907937120 (a.u.)
total exchange computation time: 2.7848281860 s
-153.7776290689
Anderson extrapolation: theta=1.3519184899 (1.3519184899)
-931.33908204
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1383450514
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.2910460584 (a.u.)
total exchange computation time: 2.7851819992 s
-153.7773166391
Anderson extrapolation: theta=0.0525868072 (0.0525868072)
-931.33924514
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1383450514
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.2910269096 (a.u.)
total exchange computation time: 2.7867050171 s
-153.7775560001
Anderson extrapolation: theta=1.9776680979 (1.9776680979)
-931.33925166
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1383450514
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.2909736268 (a.u.)
total exchange computation time: 2.7856669426 s
-153.7780660249
Anderson extrapolation: theta=0.2333935474 (0.2333935474)
-931.33925920
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1383450514
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.2909566407 (a.u.)
total exchange computation time: 2.7856390476 s
-153.7781433817
Anderson extrapolation: theta=1.8817127039 (1.8817127039)
-931.33926082
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1383450514
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.2909364566 (a.u.)
total exchange computation time: 2.7843902111 s
-153.7781382595
Anderson extrapolation: theta=0.2910777408 (0.2910777408)
-931.33926295
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1383450514
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.2909425662 (a.u.)
total exchange computation time: 2.7851278782 s
-153.7780002420
Anderson extrapolation: theta=1.2824082211 (1.2824082211)
-931.33926348
-208.950786 50.509064 -159.918697
-133.791243 460.279977 -799.668894
-342.742029 510.789041 -959.587592
1139.818358
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1383450514
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.2909585487 (a.u.)
total exchange computation time: 2.7858188152 s
677.82321438
-1081.30499962
89.79272512
-390.74344157
-174.61580369
76.91196536
551.60419304
0.00000000
-931.33926394
-10.93090350 -4.25090264 6.71152401
0.00003906 -0.00010607 -0.00003935
0.00407133 0.00606732 -0.02925040
-14.04507121 3.57143280 9.35864836
0.00033074 0.00013828 -0.00026569
0.01566880 -0.00238089 -0.01470752
-15.94942927 1.36319318 3.45081343
0.00013512 0.00019104 -0.00016200
-0.03538712 -0.02042228 -0.02126748
2.52325190 -19.83313460 12.79743054
0.00020914 -0.00006812 -0.00005053
0.01880885 0.02774729 0.06206262
9.63469180 20.37968186 1.07694540
-0.00007957 -0.00001978 0.00043201
-0.01855196 -0.01350320 -0.00350190
-12.02923195 12.56660158 15.14825419
-0.00031890 -0.00004729 0.00012756
0.00783176 0.02785909 0.00351486
-6.25829372 1.45856755 -12.31060704
0.00012775 -0.00011645 -0.00027472
-0.00193095 0.04202947 -0.03235408
-7.40132147 7.79432153 -5.94694994
-0.00008238 -0.00002843 -0.00019394
-0.01928760 -0.00719748 0.00136886
-7.71165200 -4.34958608 17.79493903
-0.00013559 0.00010986 -0.00008031
-0.01334727 -0.01206477 0.04309448
-23.51581639 -5.05428510 -22.60340193
-0.00013753 -0.00017793 -0.00023038
-0.00115101 -0.00481295 0.00239372
6.63221226 12.76314918 6.05299299
-0.00016662 0.00004017 -0.00005037
-0.01668766 0.01160940 -0.00877797
24.72554584 30.44638980 -2.91871129
0.00015797 0.00019796 -0.00019996
-0.00719441 0.04087912 0.00128977
7.91583755 -1.15048128 -14.52289195
-0.00001504 0.00040722 -0.00009242
0.00874701 0.00418351 0.01228176
-7.29917432 -0.93048402 14.39662051
-0.00008566 0.00006407 -0.00023438
-0.00660304 -0.01161902 -0.04513916
-1.80569942 -26.22783926 11.30633160
0.00032046 0.00005050 -0.00001732
-0.02637199 0.00907165 -0.01757458
-14.09842175 -4.53629977 -7.01770675
0.00023176 0.00023841 0.00008311
-0.00872818 0.00379752 0.00231599
-20.00678378 -12.59870346 -17.76247738
-0.00008153 -0.00026044 0.00017311
0.01577078 0.03117404 0.01621657
22.74778611 3.60353840 3.00445423
0.00008547 -0.00018710 -0.00005214
-0.01760929 -0.01435649 0.01966056
17.76235228 -10.20902743 -14.36122651
-0.00013876 -0.00031859 -0.00011603
-0.06017467 0.00914038 0.00091141
-2.05004873 1.85309238 -7.04247682
0.00023532 -0.00019965 0.00016231
-0.00783345 -0.02540162 -0.01965982
-4.20729058 -3.03951660 -15.61623654
-0.00025089 0.00002400 -0.00002373
-0.02642899 -0.00226455 -0.02000039
13.35029745 17.26254859 -20.06664592
0.00004070 0.00004953 0.00036723
0.02714092 0.01829560 0.00133398
-16.20911486 16.06790435 -12.11655655
0.00043930 0.00012292 0.00010073
-0.03427179 0.00413352 0.03731484
1.78412559 14.50906372 7.53559227
0.00069695 0.00039406 -0.00003716
0.01852367 -0.05006669 0.00222066
-5.30336178 -9.65055675 2.19185251
-0.00024951 -0.00008931 0.00021293
-0.02134656 0.03844574 -0.03302782
3.09838861 -6.43818477 2.56543221
-0.00001054 -0.00018668 0.00021106
-0.03602439 0.05313371 0.02264352
10.87473111 4.90362814 4.46093614
0.00005887 0.00012297 -0.00020702
-0.03593221 0.01016493 0.00959995
-8.52952924 -9.67494489 -2.75741134
0.00007483 0.00005911 -0.00029563
0.01287004 -0.01267203 0.00219210
3.15413944 -15.96883730 -13.20200569
-0.00014035 0.00022964 0.00001368
-0.03136915 0.01385518 0.02774835
4.81922942 -8.43503856 -5.56783997
-0.00009772 0.00015127 0.00022100
0.01223801 0.03130703 -0.00170709
18.55267171 0.93988031 24.71871358
0.00001707 0.00024596 -0.00019060
0.00605841 -0.02310559 0.00307803
-8.38572359 3.11996973 1.12480195
-0.00053095 -0.00008188 0.00019542
0.01008377 0.00955232 -0.00660355
-7.74979607 14.22130263 -10.49445785
0.00041150 0.00004049 0.00033676
-0.02251874 -0.01039313 0.03218942
1.70317250 11.39079346 -8.97157053
0.00010265 0.00012820 -0.00004533
0.00702756 0.01961970 0.00152230
-11.74852325 10.06334664 -13.86947179
0.00020222 0.00022280 -0.00006302
-0.00910880 -0.01436655 0.04668161
7.06255830 4.38277969 14.68321272
-0.00047941 0.00024089 0.00008270
-0.00333890 0.00589412 0.04076022
-14.72164660 9.23367869 -9.14933780
-0.00028936 -0.00023289 0.00044799
-0.01969219 0.03407167 -0.01590611
8.49231654 8.28297608 -3.11228385
-0.00001801 -0.00015270 0.00010598
0.05205161 -0.00915899 0.05248987
13.73589042 -20.42967283 -25.80114556
0.00021093 -0.00010336 -0.00018562
-0.01256156 0.00849168 0.00276024
6.29502157 6.56650716 2.59965682
-0.00017587 0.00034338 -0.00020517
-0.01928077 -0.03259304 0.03442331
19.12362603 -5.76749104 -6.59970675
-0.00027375 -0.00001771 -0.00028340
0.04541923 -0.02770329 -0.00281638
-1.69081109 0.01583390 -2.60936168
0.00003087 -0.00014851 -0.00028200
0.00907136 -0.00087606 -0.02176219
2.37359250 -1.87969128 -12.22700478
0.00001963 0.00001573 0.00039169
-0.03356171 0.00279530 0.00730870
20.36043645 9.36810493 -5.26148677
-0.00060563 0.00004273 -0.00010467
-0.02678862 -0.01886476 -0.03824260
-7.49582738 6.44650174 9.45784988
-0.00014896 -0.00009030 -0.00005501
-0.01064209 -0.00420216 -0.00298458
-2.64042094 -14.60238550 11.49466119
0.00026587 0.00009949 -0.00019687
0.00448117 0.01863954 0.01032550
8.12394277 0.34899425 -4.97157159
-0.00002335 -0.00036628 0.00001559
0.00995788 -0.02245021 0.04781491
-0.07219512 -10.13646875 0.42729232
-0.00017909 -0.00023688 -0.00029587
-0.00546640 0.00683282 -0.01219650
-20.14874731 -1.33565116 4.76670014
-0.00016302 0.00027993 0.00007900
0.02405028 -0.03729239 0.01208713
-4.63640702 7.60211233 -23.57803254
0.00027396 0.00020614 -0.00031276
-0.00850674 -0.00240338 0.00233324
2.56656510 2.34548558 -1.23049751
-0.00004040 -0.00003578 0.00038904
0.02082287 -0.03114614 -0.00205625
15.52564833 7.47156130 4.65421801
-0.00006173 -0.00033822 -0.00022382
-0.00150022 0.03499204 -0.03585854
-9.42329512 -4.70017522 7.54739253
-0.00085650 0.00035842 0.00061937
0.01527261 -0.00876242 0.02145027
-10.26199728 -3.75021881 5.02961637
0.00062745 -0.00032856 -0.00023942
-0.00796448 -0.01190969 0.00895716
-12.83260818 4.76234452 8.60044682
0.00019971 0.00035508 -0.00048215
-0.01077213 -0.01165653 0.00854030
-13.58496841 1.88511250 8.61286384
-0.00085336 0.00009188 0.00010315
-0.00675677 0.01933442 0.00558822
-15.25825238 1.81672158 5.00938332
-0.00072453 0.00131625 0.00049891
0.02273923 0.00698847 0.03183931
-17.26867520 0.10079185 4.06371145
-0.00100283 -0.00000975 0.00011827
0.00962755 0.01658603 -0.01273389
3.05827594 -21.18493633 11.77556961
0.00058419 0.00006455 0.00033009
0.00372764 -0.03064895 -0.02089221
3.64861286 -19.89182306 14.37306361
0.00051241 0.00084299 0.00020646
-0.02464554 0.00658168 -0.04069940
8.55197670 18.87828347 1.17693232
0.00046932 -0.00066822 0.00010794
0.01597030 -0.00593766 -0.01117025
8.47896693 21.49119623 1.93316682
0.00037906 0.00042405 0.00009459
-0.00003338 0.02570164 0.00915277
-10.96450176 11.77775861 16.41945893
-0.00046152 -0.00106630 0.00050313
-0.00120449 0.00967963 0.00359800
-12.59085869 14.24482405 15.80245892
-0.00012770 0.00019036 -0.00007668
0.00846027 -0.02036022 -0.00667108
-5.35512888 0.22772583 -13.20803765
0.00059680 -0.00015747 0.00016109
0.01251323 -0.02035507 -0.01652822
-6.72867183 0.72383569 -10.78504544
0.00043948 -0.00026712 -0.00112890
-0.01190509 -0.02129439 0.04852756
-6.81034718 6.34600111 -4.97344988
0.00011690 -0.00063583 0.00011077
-0.00402821 0.00677145 -0.00329123
-9.18279320 7.94349418 -5.42117086
0.00005943 0.00043852 0.00003493
0.01867626 -0.00395442 -0.00564436
-8.45096161 -3.23339227 19.14852471
0.00055922 0.00084048 0.00023939
0.01624088 -0.01991007 -0.02852155
-7.83615527 -6.07954670 18.52549376
-0.00049352 -0.00039625 -0.00009295
-0.00310320 0.01731912 -0.00659274
-23.27255989 -3.42826039 -23.37773973
-0.00060738 -0.00102334 -0.00029165
-0.00354647 0.00769086 -0.00911743
-23.03560888 -4.78192885 -20.87486156
0.00030281 -0.00114968 0.00006971
-0.00475644 0.00071230 0.00229392
6.66033463 13.31485773 4.28868870
0.00056295 -0.00022612 0.00026713
0.01315866 -0.00748881 0.01027825
8.12299928 11.81196161 6.51723675
0.00079301 0.00008464 0.00016873
0.00872692 -0.00456260 -0.00642659
24.81027519 28.79329023 -2.27257679
0.00049480 -0.00011288 -0.00013093
-0.00243992 -0.02185416 0.01505604
24.00357197 31.64761779 -1.64456172
0.00023203 0.00033094 0.00033222
0.00708202 -0.02015308 -0.01468183
9.41674422 -2.24837202 -14.96404925
-0.00038735 0.00019629 -0.00088255
-0.01185809 0.00530685 0.00542583
7.94012037 -1.26633940 -12.69716485
0.00056259 -0.00175880 -0.00113277
-0.00706259 -0.00570732 -0.00404362
-7.48666304 -0.06018784 15.99437442
-0.00101437 0.00020981 0.00061246
-0.01046457 -0.00800079 0.00503049
-8.61931485 -2.20428185 13.96425946
-0.00113581 0.00004397 0.00055165
0.02110227 0.02494494 0.02696439
-2.67230400 -26.64925710 12.90945933
0.00013538 0.00010408 -0.00079903
0.01219800 -0.00273237 0.00281874
-3.20737388 -25.89090585 10.10805484
-0.00029444 0.00001033 0.00015425
0.01973743 -0.00416339 0.00493485
-14.50268465 -2.88186340 -6.25807367
-0.00107019 0.00012372 0.00027429
0.00803305 -0.00476880 -0.00454835
-14.85548873 -4.58761781 -8.68603705
0.00058707 -0.00033205 0.00002497
0.00125693 -0.00093308 -0.00352357
-19.25029952 -11.10312176 -16.76751379
0.00010507 0.00052437 -0.00022582
-0.00648614 -0.04354765 -0.02679021
-18.58363402 -13.66236109 -18.34032182
0.00095466 0.00125440 0.00058283
-0.00162083 0.01126553 0.01089074
23.79823035 3.21780278 1.51844074
0.00134398 0.00090553 0.00075809
0.00240770 0.01784281 -0.00415766
22.85057066 5.16164466 3.94262719
0.00012097 -0.00022303 -0.00033965
0.00999241 0.00067158 -0.01133564
16.14279238 -9.96520492 -13.28682000
-0.00034220 -0.00038026 0.00029511
0.04251370 -0.00082658 -0.01781930
17.03766649 -9.91903355 -16.08259567
-0.00031897 -0.00076671 0.00040936
0.01856745 -0.00130007 0.01910606
-0.55563879 2.24718901 -8.04248213
0.00058964 -0.00034530 -0.00014895
0.00870450 0.00574623 0.00231005
-2.23754740 0.04698865 -7.51013699
0.00010510 -0.00044999 0.00149091
-0.00678458 0.02260394 0.00527376
-5.67774330 -3.52800332 -16.70447645
0.00033738 -0.00112087 -0.00019060
0.02582545 0.00400823 0.01800669
-3.46222104 -1.70068986 -16.63593904
-0.00081346 0.00059419 0.00008650
0.00013732 0.00153798 -0.00309245
12.80687143 18.91095380 -20.75635755
-0.00078904 0.00031598 0.00070106
-0.00713372 -0.02089329 0.00272972
11.94796518 16.11508687 -20.09446987
0.00028265 0.00053275 0.00003863
-0.01340912 0.00017633 -0.00740796
-15.32981222 15.65066867 -13.61062464
0.00081658 0.00017897 -0.00141816
0.01118418 -0.01011245 -0.02349729
-17.83062556 15.10319159 -12.26583275
0.00009390 -0.00031628 0.00079163
0.02508836 0.00844909 -0.00443764
2.74988849 14.98237973 6.05438296
-0.00035313 -0.00042297 -0.00075050
-0.00833631 0.01400051 -0.00184603
0.69044136 15.67499270 8.26446471
-0.00048289 0.00050338 0.00014605
-0.02244524 0.03369643 0.00169813
-6.10473171 -8.23201667 1.10088527
0.00095897 -0.00011767 0.00039570
0.01711084 -0.03696056 0.03572787
-3.54713325 -9.52873826 1.66623761
-0.00008592 -0.00095132 0.00006639
0.00907041 -0.00591667 0.00254284
2.29881418 -4.60792612 2.90742588
0.00029996 -0.00041717 0.00025758
0.04426492 -0.05578353 -0.01396233
4.48618935 -6.46110595 1.35722910
-0.00001849 -0.00093632 0.00022172
0.00134756 0.01047031 0.00115697
9.16795398 5.74072851 4.23071934
-0.00032668 0.00007951 -0.00068691
0.02957481 -0.00870381 -0.00558393
12.09587440 6.23919246 4.74451014
-0.00024225 0.00031822 -0.00000251
0.00656328 0.00471572 -0.00050388
-7.32010959 -11.11421158 -2.39559951
0.00003182 0.00103126 -0.00105946
-0.03272408 0.02659269 0.00117947
-9.78064133 -9.29981138 -1.42709935
0.00008071 0.00058612 -0.00030124
0.01394682 -0.01376665 -0.00614261
4.47981996 -16.56486631 -14.16146495
0.00026860 0.00003820 0.00005060
0.03680714 -0.01055258 -0.03149858
3.51729624 -16.86429531 -11.64596220
0.00214514 -0.00142507 0.00026913
-0.01220099 0.00127160 0.00398922
5.80361359 -6.87358725 -5.98440717
-0.00058426 -0.00034251 0.00056982
-0.00887322 -0.01514773 -0.00802730
4.99706008 -8.25911143 -3.76879502
0.00032464 0.00098760 0.00106469
-0.00552891 -0.01240647 0.01116391
16.77861888 1.40434382 24.59952165
-0.00016870 0.00053341 0.00045362
0.00856726 0.01786552 -0.00151380
19.85448995 2.28040576 24.81069120
0.00006625 0.00010637 -0.00128020
-0.01718860 0.00343234 0.00139720
-9.78073828 3.47293236 2.34188223
0.00023918 0.00158725 -0.00004162
0.00362153 0.00366588 -0.00438558
-7.59227967 4.77445387 0.82446344
0.00050164 -0.00053648 0.00035404
-0.00361797 -0.01285479 0.00729893
-6.42142837 14.39843409 -9.21084618
-0.00031154 -0.00082154 -0.00011924
-0.01026542 0.00062532 -0.00984606
-9.32157528 13.76922749 -9.44386841
0.00020493 -0.00030150 0.00026068
0.03332715 0.00756910 -0.02299094
0.13735697 10.89065541 -8.14162034
0.00048758 0.00007894 0.00105997
0.01181085 0.00432969 0.00804482
2.63069485 12.61675227 -7.83139342
-0.00020149 -0.00102983 0.00021617
-0.01786556 -0.02476821 -0.01030898
-10.24380138 8.94847335 -13.74750002
0.00085981 0.00011626 -0.00031597
-0.01745419 0.01171766 0.00245470
-12.66657769 9.91460589 -12.11285735
-0.00035124 0.00024895 -0.00021806
0.02434393 -0.00257360 -0.04500497
7.21660621 6.15797859 15.28201180
0.00032749 0.00037681 -0.00084937
-0.00120637 -0.02581030 -0.03738078
7.17035167 4.10177670 12.89217120
0.00002311 0.00064345 -0.00006181
0.00962621 0.01692770 -0.01100859
-13.86492076 10.78589056 -8.40588604
0.00046648 -0.00094096 -0.00072446
-0.00885926 -0.01883890 -0.00207383
-16.33652029 9.94204647 -9.85735790
0.00012144 0.00028571 -0.00064903
0.02300574 -0.01794120 0.01540202
8.55433512 9.84444976 -2.14928925
-0.00082792 -0.00029946 -0.00097709
-0.00419998 -0.00137012 -0.00761881
7.29582485 8.46542886 -4.33297564
0.00079042 -0.00017185 -0.00152056
-0.04802596 0.01819896 -0.03873215
12.08891512 -20.30370691 -26.64127202
-0.00059617 0.00057143 0.00023227
0.01247095 0.00024456 0.01270438
13.56890807 -19.80715180 -23.99284116
0.00057835 -0.00079317 -0.00012056
-0.00254798 -0.01093490 -0.01655989
5.65735853 4.72313307 2.73781427
0.00000794 -0.00075823 -0.00045269
0.01609699 0.03696108 -0.01939215
6.32803404 7.27569620 0.94565754
0.00017465 0.00043759 0.00019918
0.00109456 -0.00965432 -0.01660451
20.56623363 -6.53474984 -5.65628575
0.00015188 0.00012895 -0.00012334
-0.02681898 0.01268310 -0.01477075
17.87902179 -5.29118090 -5.43077494
-0.00046770 -0.00018248 0.00000278
-0.02544610 0.01473724 0.02499726
-2.84234897 0.24658881 -1.28754698
0.00119734 0.00063697 -0.00004210
-0.01813435 0.00272227 0.03654729
-2.45753522 1.01865365 -3.98436348
-0.00058353 -0.00037720 0.00053230
0.01636144 -0.00609065 -0.00316254
3.53789831 -3.28658601 -12.12949880
-0.00053288 0.00111600 -0.00024772
0.00201969 -0.00462724 0.00063866
0.59819644 -2.41146128 -11.46278543
-0.00029681 -0.00047051 -0.00017337
0.03877720 -0.00088314 -0.01560367
19.64099066 8.27165707 -6.67265459
-0.00186798 0.00016342 -0.00016865
0.01938191 0.02266596 0.03101491
21.93580894 8.58565159 -4.72838491
0.00031671 -0.00019558 0.00001504
0.00793966 -0.00219149 0.00049244
-7.52407954 4.68564756 8.89459456
0.00039738 -0.00009567 -0.00000043
0.00353907 -0.00064664 0.00350694
-7.49635503 6.24377823 11.25954092
-0.00060675 -0.00012360 0.00129809
-0.00247288 0.00263701 0.00727276
-3.03934493 -16.37356901 11.52614924
-0.00054820 -0.00009151 -0.00092178
-0.00853265 -0.00028773 -0.00112331
-4.14427444 -13.56342124 11.73768756
-0.00021678 -0.00013053 -0.00027597
0.00391524 -0.01919859 -0.00502499
8.37076461 0.48800806 -3.10704269
0.00062912 0.00056833 0.00071679
-0.00301719 -0.00765136 -0.02882515
7.78978842 2.03439761 -5.54618982
0.00018741 0.00034093 -0.00062529
-0.00709872 0.02130913 -0.01623382
1.24361553 -10.65642481 1.58089517
0.00003637 -0.00007866 0.00000705
-0.00321933 -0.00363157 0.01470756
0.15286503 -8.30753594 0.25736850
-0.00031473 -0.00047193 0.00065379
0.00181590 -0.00965869 -0.00531837
-20.04835013 -1.32415124 6.63166197
-0.00061911 -0.00000454 -0.00050367
0.00190623 -0.00924454 0.00397914
-21.04864304 0.12525508 4.40751164
-0.00070292 0.00020796 0.00042576
-0.02626040 0.04225949 -0.01482171
-3.78217038 8.45123900 -24.93774858
-0.00086180 -0.00047704 0.00007662
0.01282611 -0.01142320 -0.03490585
-4.42048325 9.05057184 -22.56550040
-0.00029936 -0.00016195 0.00034790
-0.00431351 0.01222637 0.04112333
3.78426801 0.96338285 -0.91841593
0.00072289 -0.00014505 0.00008334
-0.00644598 0.02244445 -0.00291614
1.18012048 1.35543643 -2.01395348
0.00071652 -0.00185845 0.00085302
-0.01009639 0.00951362 0.00213546
15.96941734 7.48046966 6.42107807
-0.00048949 0.00029057 0.00073596
0.00343623 0.01105523 0.00257330
15.83532438 9.19875046 3.83151411
0.00027756 0.00037895 -0.00031726
-0.00415898 -0.04105457 0.02623845
-0.34626227 -11.81652451 -13.29141670
0.00005793 -0.00000608 0.00023752
0.01021551 -0.00199306 -0.00196995
-13.93772848 14.49906001 22.17277891
-0.00001571 -0.00011822 0.00014844
-0.00066927 -0.00327332 0.00012418
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02806600
0.31119794
414.65564866
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.2809601361 (a.u.)
total exchange computation time: 2.8057661057 s
-153.7464623062
-931.34046207
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.2812511682 (a.u.)
total exchange computation time: 2.8051421642 s
-153.7452774142
Anderson extrapolation: theta=1.3636605422 (1.3636605422)
-931.34073360
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.337 s
total exchange = -52.2815901478 (a.u.)
total exchange computation time: 2.8053729534 s
-153.7439857826
Anderson extrapolation: theta=0.0571255695 (0.0571255695)
-931.34089955
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.2815537086 (a.u.)
total exchange computation time: 2.8048019409 s
-153.7442705238
Anderson extrapolation: theta=2.0811543076 (2.0000000000)
-931.34090699
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.2814500601 (a.u.)
total exchange computation time: 2.8049230576 s
-153.7449400203
Anderson extrapolation: theta=0.2817741930 (0.2817741930)
-931.34091605
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.2814058984 (a.u.)
total exchange computation time: 2.8050339222 s
-153.7451235612
Anderson extrapolation: theta=1.5709244201 (1.5709244201)
-931.34091815
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.2813432109 (a.u.)
total exchange computation time: 2.8058111668 s
-153.7452784290
Anderson extrapolation: theta=0.3500699902 (0.3500699902)
-931.34092044
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.2813311322 (a.u.)
total exchange computation time: 2.8070950508 s
-153.7452013439
Anderson extrapolation: theta=1.1065278245 (1.1065278245)
-931.34092107
-208.982781 50.453980 -159.879069
-133.773872 460.279826 -799.694549
-342.756653 510.733806 -959.573618
1139.786240
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2813266508 (a.u.)
total exchange computation time: 2.8708879948 s
677.65802971
-1080.96967498
89.81377944
-390.97232796
-174.58940110
76.72948341
551.60419304
0.00000000
-931.34092153
-10.93030187 -4.25247024 6.71082093
0.00004020 -0.00010252 -0.00005532
0.00035063 0.00771925 -0.03286249
-14.04004961 3.57349777 9.35460632
0.00033849 0.00013787 -0.00027291
0.01446495 0.00080877 -0.01337852
-15.94753899 1.36598004 3.44830141
0.00011671 0.00018035 -0.00017136
-0.03621853 -0.02113984 -0.01513727
2.52646149 -19.83404930 12.79691201
0.00021894 -0.00005349 -0.00001826
0.01931450 0.02914420 0.06343639
9.63342671 20.37933307 1.08341198
-0.00008880 -0.00002718 0.00042996
-0.01733065 -0.01525834 -0.00443814
-12.03398523 12.56599972 15.15018110
-0.00031419 -0.00003359 0.00012998
0.01047306 0.02538888 0.00590121
-6.25638487 1.45698293 -12.31485257
0.00012736 -0.00009450 -0.00029283
0.00038643 0.04332357 -0.03809267
-7.40263156 7.79386727 -5.94985377
-0.00009171 -0.00003309 -0.00019268
-0.01699702 -0.01089242 0.00354223
-7.71373733 -4.34798472 17.79390061
-0.00014256 0.00010335 -0.00005768
-0.01374856 -0.01323633 0.04490093
-23.51788376 -5.05697257 -22.60684837
-0.00013825 -0.00018198 -0.00022801
-0.00167164 -0.01094300 0.00683259
6.62964862 12.76379644 6.05220360
-0.00017375 0.00004505 -0.00005392
-0.01105703 0.00737839 -0.00503994
24.72788771 30.44951695 -2.92170570
0.00015405 0.00021851 -0.00019865
-0.00808363 0.03902614 0.00381084
7.91564571 -1.14435684 -14.52423089
-0.00001042 0.00040926 -0.00008779
0.00921741 0.00373345 0.00574079
-7.30048470 -0.92956774 14.39293069
-0.00009009 0.00005831 -0.00025598
-0.01063532 -0.01078891 -0.03885575
-1.80099425 -26.22704673 11.30600397
0.00030670 0.00005539 -0.00002753
-0.02713080 0.00991706 -0.02213600
-14.09497899 -4.53270898 -7.01645123
0.00022726 0.00024065 0.00008462
-0.00877802 0.00493393 0.00358967
-20.00794594 -12.60248987 -17.75981821
-0.00007314 -0.00024365 0.00018176
0.01687918 0.03413811 0.01742725
22.74900019 3.60067657 3.00374795
0.00007653 -0.00019449 -0.00004220
-0.01713474 -0.01439276 0.01899706
17.76003869 -10.21377102 -14.36296338
-0.00016971 -0.00031400 -0.00011458
-0.06015213 0.00870537 0.00470217
-2.04654913 1.84999972 -7.04011794
0.00023188 -0.00021229 0.00015192
-0.00555102 -0.02375643 -0.02075941
-4.21115593 -3.03916529 -15.61666963
-0.00026415 0.00002298 -0.00003401
-0.02512435 -0.00170668 -0.01998624
13.35101261 17.26336205 -20.06113232
0.00005501 0.00006004 0.00036767
0.02852145 0.02258121 0.00038534
-16.20265759 16.06976415 -12.11490165
0.00042298 0.00012405 0.00011731
-0.02918241 0.00026351 0.02714214
1.79465123 14.51478154 7.53504348
0.00070477 0.00036967 -0.00003458
0.01189248 -0.04480780 0.00778196
-5.30718675 -9.65174815 2.19491906
-0.00025964 -0.00007010 0.00019626
-0.01805505 0.03628405 -0.03180579
3.09809151 -6.44077994 2.56868541
-0.00002899 -0.00015979 0.00022268
-0.03569322 0.05141263 0.02253556
10.87547550 4.90551193 4.45786792
0.00003995 0.00012845 -0.00020212
-0.03762592 0.01114661 0.00942572
-8.52835716 -9.67410717 -2.76183727
0.00008047 0.00005382 -0.00029490
0.00907641 -0.00788174 0.00063253
3.15191324 -15.96533920 -13.20169352
-0.00015469 0.00023482 0.00002964
-0.02440480 0.00628206 0.03432546
4.81781089 -8.43264879 -5.56453158
-0.00009179 0.00016668 0.00022249
0.01079136 0.02861257 0.00749002
18.55295106 0.94348058 24.71586649
0.00001967 0.00023410 -0.00018906
0.00405219 -0.02302161 0.00288535
-8.39364891 3.11877831 1.12770785
-0.00052513 -0.00007693 0.00019163
0.01255225 0.00972547 -0.00816782
-7.74371042 14.22186984 -10.48928229
0.00039852 0.00003482 0.00035226
-0.02797444 -0.01165757 0.02806588
1.70473936 11.39279214 -8.97224464
0.00010540 0.00013757 -0.00004470
0.00366846 0.01680810 0.00095557
-11.74552508 10.06663324 -13.87023708
0.00019806 0.00021504 -0.00003910
-0.00706323 -0.01581559 0.04636689
7.05535433 4.38641581 14.68461051
-0.00048102 0.00024378 0.00010304
-0.00292751 0.00534205 0.03833103
-14.72606293 9.23031670 -9.14267935
-0.00029996 -0.00021609 0.00043915
-0.02154592 0.03127821 -0.01845314
8.49224717 8.28065029 -3.11049164
0.00000705 -0.00015830 0.00013081
0.04538701 -0.01261845 0.04405140
13.73900589 -20.43119047 -25.80391923
0.00020359 -0.00009897 -0.00018479
-0.01596399 0.00856964 0.00048883
6.29230913 6.57153211 2.59671212
-0.00018600 0.00032543 -0.00018680
-0.02009904 -0.03719490 0.03700140
19.11969495 -5.76786359 -6.60396857
-0.00025062 -0.00003188 -0.00028409
0.04454002 -0.02740000 0.00013475
-1.69031308 0.01360290 -2.61367565
0.00003625 -0.00014954 -0.00029323
0.01186227 -0.00312101 -0.02188573
2.37375755 -1.87944448 -12.22110129
0.00000077 0.00001893 0.00039527
-0.03978984 0.00963430 0.00661925
20.35124866 9.36867311 -5.26320439
-0.00061822 0.00003233 -0.00012418
-0.02218777 -0.02156209 -0.03761353
-7.49810278 6.44513096 9.45701318
-0.00015440 -0.00009258 -0.00005387
-0.01054022 -0.00465026 0.00744602
-2.63641567 -14.60082119 11.49174804
0.00026741 0.00010846 -0.00019145
0.00153945 0.01622344 0.01072987
8.12363089 0.34341341 -4.97115335
-0.00001833 -0.00037598 0.00004078
0.00957070 -0.01526852 0.05017214
-0.07490260 -10.13999557 0.42280719
-0.00018143 -0.00023407 -0.00030152
-0.00361058 0.00408141 -0.00976652
-20.15109978 -1.33159600 4.76793170
-0.00015097 0.00026137 0.00008416
0.02279813 -0.03488594 0.00800579
-4.63233046 7.60519520 -23.58271499
0.00026853 0.00020395 -0.00030972
-0.01260970 -0.00612817 0.00951252
2.56603945 2.34482880 -1.22466981
-0.00002926 -0.00005290 0.00038783
0.02247479 -0.03544486 -0.00265402
15.52471664 7.46662299 4.65072238
-0.00006191 -0.00031941 -0.00024094
0.00080091 0.03815273 -0.03069576
-9.43567461 -4.69506750 7.55734038
-0.00078619 0.00032068 0.00071135
0.01914646 -0.00970861 0.02357544
-10.25282965 -3.75551210 5.02629958
0.00059409 -0.00037837 -0.00019921
-0.00836376 -0.01247525 0.01072261
-12.82994267 4.76731352 8.59347630
0.00015513 0.00030504 -0.00044721
-0.01104969 -0.01283870 0.00856014
-13.59797581 1.88708310 8.61458232
-0.00087809 0.00016657 0.00012350
-0.00535203 0.01722992 0.00437560
-15.26842348 1.83667947 5.01784259
-0.00063709 0.00134133 0.00061862
0.02005955 0.00528855 0.02675874
-17.28342257 0.10115386 4.06509535
-0.00095699 0.00006340 0.00006398
0.01280957 0.01922201 -0.01384362
3.06715306 -21.18490725 11.77988075
0.00060011 -0.00006249 0.00024375
0.00406452 -0.03153830 -0.02137237
3.65554380 -19.87897652 14.37491339
0.00041012 0.00086902 0.00003820
-0.02542603 0.00615772 -0.04166709
8.55950581 18.86807822 1.17820918
0.00053442 -0.00068827 0.00006325
0.01590016 -0.00387609 -0.01070835
8.48465179 21.49834461 1.93486618
0.00037657 0.00052796 0.00013310
-0.00118371 0.02515917 0.00969532
-10.97146154 11.76206069 16.42711611
-0.00047181 -0.00102106 0.00051178
-0.00383208 0.01246734 0.00063446
-12.59251494 14.24705554 15.80110435
-0.00009288 0.00010668 -0.00010319
0.00858359 -0.02060016 -0.00630533
-5.34579349 0.22474003 -13.20612775
0.00064717 -0.00023845 0.00009367
0.01214306 -0.01928721 -0.01647561
-6.72244445 0.71917637 -10.80049188
0.00038657 -0.00035852 -0.00091902
-0.01399381 -0.02344590 0.05420926
-6.80871706 6.33667119 -4.97188918
0.00009662 -0.00060031 0.00009222
-0.00590210 0.01061332 -0.00579104
-9.18132950 7.94995087 -5.42081993
0.00013487 0.00042177 0.00001257
0.01825610 -0.00424527 -0.00529747
-8.44207568 -3.22139524 19.15124159
0.00062634 0.00075569 0.00012070
0.01661544 -0.02159171 -0.02958011
-7.84365316 -6.08495976 18.52389749
-0.00050596 -0.00031986 -0.00012124
-0.00298760 0.02007271 -0.00725420
-23.28177924 -3.44337474 -23.38239389
-0.00061983 -0.00098049 -0.00033228
-0.00254645 0.01328337 -0.01077054
-23.03121255 -4.79915221 -20.87374557
0.00028250 -0.00114555 0.00007381
-0.00518522 0.00130889 -0.00028940
6.66918205 13.31123645 4.29301067
0.00061593 -0.00025437 0.00030339
0.01277717 -0.00633969 0.00746702
8.13516179 11.81309134 6.51957079
0.00081844 0.00007199 0.00014042
0.00372430 -0.00162571 -0.00743159
24.81762250 28.79092736 -2.27407940
0.00048447 -0.00019550 -0.00007209
-0.00261721 -0.01859060 0.01374731
24.00726946 31.65196440 -1.64002831
0.00026231 0.00024589 0.00026907
0.00774035 -0.02148049 -0.01623250
9.41057064 -2.24526505 -14.97712121
-0.00043545 0.00021853 -0.00086181
-0.01168637 0.00557829 0.00472581
7.94834281 -1.29289630 -12.71428029
0.00053276 -0.00178206 -0.00113463
-0.00754145 -0.00567862 0.00313120
-7.50219922 -0.05728583 16.00371554
-0.00105374 0.00017198 0.00062090
-0.00880790 -0.01051833 -0.00090246
-8.63570532 -2.20285789 13.97336042
-0.00104447 0.00014916 0.00066077
0.02360994 0.02654761 0.02645485
-2.66989952 -26.64777965 12.89756029
0.00018265 0.00009118 -0.00077985
0.01094323 -0.00358053 0.00657070
-3.21118569 -25.89087847 10.11051978
-0.00021025 -0.00000702 0.00017561
0.02147281 -0.00433029 0.00552397
-14.51849127 -2.88015373 -6.25409866
-0.00103596 0.00010134 0.00025394
0.00872281 -0.00618610 -0.00541610
-14.84664409 -4.59262717 -8.68577054
0.00059126 -0.00033565 0.00000963
0.00079406 -0.00083077 -0.00398164
-19.24892229 -11.09659072 -16.77172206
0.00007550 0.00034452 -0.00033558
-0.00798539 -0.04448757 -0.02693905
-18.56936374 -13.64319990 -18.33124562
0.00094845 0.00129637 0.00062521
-0.00142020 0.00928113 0.00985240
23.81846386 3.23193251 1.52968469
0.00135273 0.00097593 0.00074013
0.00187546 0.01661822 -0.00463317
22.85269140 5.15831980 3.93718514
0.00016119 -0.00021782 -0.00038302
0.00969685 0.00187645 -0.00989640
16.13896213 -9.97093413 -13.28293935
-0.00016632 -0.00038355 0.00022085
0.04358268 -0.00078650 -0.01853223
17.03345095 -9.93057398 -16.07586975
-0.00024541 -0.00077069 0.00048142
0.01744015 -0.00064890 0.01616721
-0.54652740 2.24218566 -8.04464552
0.00061963 -0.00032421 -0.00013647
0.00597609 0.00457685 0.00379602
-2.23617887 0.04093147 -7.48761177
0.00007821 -0.00035855 0.00151074
-0.00637436 0.02215505 0.00443382
-5.67189116 -3.54469353 -16.70678369
0.00044138 -0.00110406 -0.00011790
0.02508053 0.00421752 0.01757933
-3.47441879 -1.69172986 -16.63473623
-0.00081387 0.00059883 0.00007461
-0.00033401 0.00073287 -0.00272945
12.79481730 18.91505329 -20.74575806
-0.00081584 0.00022823 0.00071320
-0.00598499 -0.02206014 0.00321527
11.95179408 16.12308355 -20.09411744
0.00022266 0.00052743 0.00000881
-0.01595675 -0.00278018 -0.00718816
-15.31722082 15.65304338 -13.63261703
0.00084757 0.00014277 -0.00149194
0.00398367 -0.00760861 -0.01262223
-17.82844820 15.09870629 -12.25409427
0.00020120 -0.00027870 0.00077202
0.02743449 0.00994705 -0.00515983
2.74433615 14.97646420 6.04306893
-0.00038581 -0.00036398 -0.00076021
-0.00766093 0.01487523 -0.00290865
0.68251016 15.68357599 8.26670743
-0.00056287 0.00062823 0.00014440
-0.01670584 0.02741749 -0.00250237
-6.08982286 -8.23491433 1.10791562
0.00102429 -0.00026388 0.00053779
0.01486397 -0.03460783 0.03382416
-3.54814415 -9.54318943 1.66731140
-0.00005083 -0.00097593 0.00007775
0.00810581 -0.00612768 0.00301641
2.30467001 -4.61589309 2.91086180
0.00047958 -0.00064206 0.00020030
0.04366014 -0.05429815 -0.01407851
4.48595334 -6.47482985 1.36059040
-0.00001287 -0.00089283 0.00022641
0.00140204 0.01081445 0.00113498
9.16396002 5.74165441 4.22024456
-0.00020315 0.00004285 -0.00070917
0.03089354 -0.00923826 -0.00531135
12.09244175 6.24411026 4.74445709
-0.00021545 0.00033762 -0.00000450
0.00655819 0.00478068 -0.00047373
-7.32063508 -11.09792787 -2.41145527
-0.00009538 0.00113135 -0.00105102
-0.02954212 0.02240308 0.00295143
-9.77900332 -9.29144140 -1.43180616
0.00013890 0.00052867 -0.00032668
0.01453863 -0.01435563 -0.00631208
4.48497682 -16.56461671 -14.16167115
0.00041175 -0.00000036 -0.00007593
0.03326643 -0.00832322 -0.03044071
3.54909942 -16.88563233 -11.64180294
0.00208772 -0.00140985 0.00027097
-0.01590526 0.00617773 -0.00309237
5.79457774 -6.87918911 -5.97610586
-0.00061570 -0.00039693 0.00053316
-0.00651476 -0.01149070 -0.00991870
5.00176026 -8.24467766 -3.75248256
0.00030038 0.00093460 0.00109571
-0.00634813 -0.01353681 0.00402061
16.77635093 1.41289244 24.60627951
-0.00013090 0.00060505 0.00044711
0.00993533 0.01720448 -0.00167183
19.85495706 2.28210656 24.79153107
-0.00000290 0.00012139 -0.00127353
-0.01666526 0.00391915 0.00186421
-9.77703959 3.49685345 2.34112349
0.00024888 0.00160066 -0.00005580
0.00112401 0.00290044 -0.00255539
-7.58486596 4.76601281 0.82999777
0.00048740 -0.00058885 0.00038256
-0.00335208 -0.01278107 0.00665839
-6.42641607 14.38613012 -9.21293648
-0.00034309 -0.00081719 -0.00015012
-0.00517880 0.00150472 -0.00527140
-9.31748014 13.76493686 -9.44066269
0.00034168 -0.00026993 0.00016599
0.03361625 0.00788703 -0.02335912
0.14503260 10.89197213 -8.12547426
0.00053662 0.00009568 0.00109025
0.01219310 0.00386706 0.00677852
2.62712506 12.60054584 -7.82846680
-0.00026888 -0.00112430 0.00017751
-0.01512227 -0.02147710 -0.00861390
-10.23143905 8.95057633 -13.75216439
0.00078243 0.00016763 -0.00030519
-0.02042689 0.01342901 0.00282160
-12.67110029 9.91826126 -12.11750736
-0.00024983 0.00023772 -0.00040207
0.02529502 -0.00292538 -0.04507085
7.22148161 6.16283990 15.26812585
0.00032203 0.00027329 -0.00099925
-0.00146781 -0.02486461 -0.03599053
7.17099335 4.11194720 12.89090677
0.00006256 0.00071087 -0.00010458
0.00968319 0.01607555 -0.00992961
-13.85819499 10.77119890 -8.41681650
0.00043219 -0.00101094 -0.00072946
-0.00792643 -0.01541784 -0.00037383
-16.33399369 9.94578242 -9.86662146
0.00021678 0.00021154 -0.00058419
0.02366052 -0.01836790 0.01634107
8.54178763 9.83991583 -2.16417904
-0.00084412 -0.00029548 -0.00100175
-0.00373102 0.00332249 -0.00445348
7.30620953 8.46340874 -4.35697098
0.00060708 -0.00009989 -0.00166802
-0.04172233 0.01702668 -0.03344763
12.08035474 -20.29512802 -26.63739860
-0.00053822 0.00057139 0.00028708
0.01589410 -0.00026414 0.01412112
13.57750530 -19.81938449 -23.99515695
0.00056748 -0.00083643 -0.00018610
-0.00277675 -0.01024114 -0.01552648
5.65797090 4.71289227 2.73042972
0.00007596 -0.00060036 -0.00053187
0.01719954 0.04031606 -0.01936878
6.33068726 7.28196415 0.94813637
0.00017932 0.00040004 0.00012635
0.00119337 -0.00872343 -0.01904590
20.56769007 -6.53242696 -5.65858842
0.00003953 0.00018192 -0.00018524
-0.02817828 0.01324478 -0.01553083
17.87122649 -5.29346647 -5.42996724
-0.00056701 -0.00012412 0.00010043
-0.02316673 0.01382984 0.02280082
-2.82494453 0.25622676 -1.28705852
0.00111902 0.00064848 0.00011378
-0.02020388 0.00291448 0.03975330
-2.46578677 1.01280906 -3.97647594
-0.00051806 -0.00039853 0.00051438
0.01568553 -0.00435102 -0.00560592
3.52996694 -3.26998778 -12.13319504
-0.00051284 0.00108220 -0.00024396
0.00779345 -0.01191838 0.00120389
0.59493248 -2.41854597 -11.46586411
-0.00013735 -0.00047316 -0.00023631
0.03928165 -0.00041393 -0.01520467
19.61356481 8.27480291 -6.67423399
-0.00178473 0.00025731 -0.00003900
0.02137223 0.02329333 0.03244989
21.94080285 8.58265076 -4.72814419
0.00033727 -0.00020016 0.00001256
0.00212531 -0.00005240 -0.00170668
-7.51801036 4.68419268 8.89469562
0.00041160 -0.00009906 0.00001431
0.00342051 -0.00101365 0.00370767
-7.50553199 6.24200501 11.27923519
-0.00061686 -0.00011099 0.00130621
-0.00248000 0.00353698 -0.00329853
-3.04782936 -16.37495049 11.51228814
-0.00058047 -0.00008746 -0.00092655
-0.00726368 0.00227107 -0.00121303
-4.14740612 -13.56596751 11.73339403
-0.00019755 -0.00020948 -0.00029716
0.00549689 -0.01944727 -0.00534688
8.38010898 0.49629857 -3.09717418
0.00061494 0.00053582 0.00058964
-0.00392554 -0.00826388 -0.03341444
7.79238208 2.04016455 -5.55606668
0.00016067 0.00041556 -0.00068712
-0.00599243 0.01522403 -0.01403164
1.24406245 -10.65771597 1.58145161
0.00001949 -0.00009332 0.00006417
-0.00504275 -0.00354307 0.01325135
0.14819977 -8.31491088 0.26701240
-0.00030713 -0.00050635 0.00063037
0.00190325 -0.00718899 -0.00614627
-20.05757841 -1.32450261 6.62422886
-0.00061016 -0.00004247 -0.00047971
0.00247440 -0.00932384 0.00774865
-21.05999147 0.12966937 4.41344385
-0.00080784 0.00037635 0.00036566
-0.02509883 0.04016978 -0.01459856
-3.79470430 8.44373341 -24.93766886
-0.00080146 -0.00051477 -0.00007717
0.01670863 -0.00704630 -0.04037556
-4.42510590 9.04851723 -22.55902173
-0.00031665 -0.00011368 0.00051295
-0.00414559 0.01140010 0.03967082
3.79491382 0.96189491 -0.91725526
0.00069386 -0.00004798 0.00007131
-0.00776311 0.02507246 -0.00296906
1.19055893 1.32785121 -2.00109279
0.00067520 -0.00181548 0.00086179
-0.01013355 0.01151942 0.00215886
15.96218036 7.48516701 6.43219626
-0.00047841 0.00033494 0.00073413
0.00198289 0.01066118 -0.00346484
15.83936028 9.20317674 3.82755926
0.00025891 0.00020574 -0.00020816
-0.00497017 -0.04373676 0.02716475
-0.34536594 -11.81662109 -13.28785917
0.00006160 -0.00000678 0.00023682
0.01033044 -0.00192095 -0.00196860
-13.93796532 14.49728098 22.17500566
-0.00001587 -0.00011897 0.00014847
-0.00073575 -0.00314755 0.00014336
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02858055
0.31234098
416.17869775
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.336 s
total exchange = -52.2725635699 (a.u.)
total exchange computation time: 2.8712038994 s
-153.7275821878
-931.34320461
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.2730386228 (a.u.)
total exchange computation time: 2.8697378635 s
-153.7251445733
Anderson extrapolation: theta=1.3583781669 (1.3583781669)
-931.34346840
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.2736723756 (a.u.)
total exchange computation time: 2.8687548637 s
-153.7219471171
Anderson extrapolation: theta=0.0555086329 (0.0555086329)
-931.34362811
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.335 s
total exchange = -52.2736889747 (a.u.)
total exchange computation time: 2.8706388474 s
-153.7219593136
Anderson extrapolation: theta=2.0370149879 (2.0000000000)
-931.34363481
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.334 s
total exchange = -52.2737083567 (a.u.)
total exchange computation time: 2.8704240322 s
-153.7220148677
Anderson extrapolation: theta=0.2512998185 (0.2512998185)
-931.34364250
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.333 s
total exchange = -52.2737083944 (a.u.)
total exchange computation time: 2.8704948425 s
-153.7219908923
Anderson extrapolation: theta=1.6788808143 (1.6788808143)
-931.34364406
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.2737160369 (a.u.)
total exchange computation time: 2.8711791039 s
-153.7218285114
Anderson extrapolation: theta=0.3067596657 (0.3067596657)
-931.34364572
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.2737263813 (a.u.)
total exchange computation time: 2.8692290783 s
-153.7216694415
Anderson extrapolation: theta=1.2043036538 (1.2043036538)
-931.34364609
-209.006722 50.395263 -159.846299
-133.752475 460.278585 -799.723472
-342.759197 510.673848 -959.569771
1139.756900
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.2737440833 (a.u.)
total exchange computation time: 2.8714070320 s
677.52886431
-1080.71011973
89.83182755
-391.15096399
-174.56951033
76.58723795
551.60419304
0.00000000
-931.34364629
-10.92969753 -4.25397829 6.70986433
0.00003963 -0.00009825 -0.00007288
-0.00255155 0.00887544 -0.03541537
-14.03491642 3.57556898 9.35046106
0.00034552 0.00013913 -0.00027934
0.01285156 0.00406219 -0.01164266
-15.94592812 1.36860381 3.44567261
0.00009812 0.00016955 -0.00017733
-0.03603739 -0.02085563 -0.00809106
2.52982009 -19.83473916 12.79688287
0.00022899 -0.00003842 0.00001423
0.01977393 0.02945627 0.06289614
9.63202793 20.37886655 1.08984432
-0.00009742 -0.00003532 0.00042751
-0.01622355 -0.01639547 -0.00510529
-12.03865770 12.56559374 15.15215353
-0.00030813 -0.00002130 0.00013354
0.01307999 0.02240565 0.00795427
-6.25447303 1.45573254 -12.31939198
0.00012812 -0.00007234 -0.00031346
0.00257161 0.04285207 -0.04210846
-7.40407277 7.79332898 -5.95273028
-0.00009977 -0.00003954 -0.00019041
-0.01433790 -0.01422747 0.00527288
-7.71592873 -4.34648547 17.79320859
-0.00014962 0.00009625 -0.00003439
-0.01369913 -0.01438338 0.04568793
-23.51996403 -5.05974447 -22.61024210
-0.00013923 -0.00018911 -0.00022340
-0.00210915 -0.01679136 0.01109147
6.62699967 12.76450062 6.05137533
-0.00017800 0.00004776 -0.00005549
-0.00544261 0.00314973 -0.00105389
24.73016721 30.45294519 -2.92467072
0.00014975 0.00023775 -0.00019608
-0.00863271 0.03577187 0.00617924
7.91552497 -1.13820359 -14.52552555
-0.00000563 0.00041115 -0.00008646
0.00939738 0.00361801 -0.00057318
-7.30187713 -0.92873470 14.38894110
-0.00009646 0.00005312 -0.00027430
-0.01410450 -0.00939879 -0.03237136
-1.79649839 -26.22617770 11.30550557
0.00029271 0.00006067 -0.00003999
-0.02728863 0.01063019 -0.02628297
-14.09160395 -4.52908013 -7.01516802
0.00022273 0.00024343 0.00008674
-0.00883137 0.00586802 0.00463124
-20.00897789 -12.60601291 -17.75702460
-0.00006426 -0.00022555 0.00019089
0.01762584 0.03625755 0.01806282
22.75008207 3.59770370 3.00318822
0.00006791 -0.00020191 -0.00003269
-0.01637435 -0.01446051 0.01798385
17.75726105 -10.21844745 -14.36466396
-0.00020033 -0.00030969 -0.00011116
-0.05893024 0.00805617 0.00861279
-2.04309235 1.84672377 -7.03791921
0.00022964 -0.00022392 0.00014100
-0.00316209 -0.02148827 -0.02170976
-4.21521510 -3.03882714 -15.61725691
-0.00027656 0.00002233 -0.00004418
-0.02314208 -0.00082493 -0.01954291
13.35194781 17.26434972 -20.05561574
0.00006992 0.00007253 0.00036767
0.02946433 0.02600062 -0.00040141
-16.19642545 16.07162598 -12.11303735
0.00040938 0.00012333 0.00012871
-0.02371153 -0.00308820 0.01718818
1.80526862 14.52015368 7.53455472
0.00070906 0.00034815 -0.00002914
0.00479985 -0.03885006 0.01339551
-5.31115101 -9.65265963 2.19774024
-0.00026788 -0.00005226 0.00018041
-0.01396893 0.03309359 -0.02982698
3.09751905 -6.44297848 2.57211247
-0.00004707 -0.00013407 0.00023412
-0.03461861 0.04862059 0.02198700
10.87592963 4.90748171 4.45487242
0.00002040 0.00013442 -0.00019730
-0.03838281 0.01204195 0.00934925
-8.52711507 -9.67333027 -2.76625833
0.00008401 0.00005119 -0.00029505
0.00466491 -0.00233737 -0.00123615
3.14949876 -15.96179265 -13.20111653
-0.00016507 0.00023603 0.00004842
-0.01596143 -0.00156423 0.03872243
4.81647560 -8.43003829 -5.56116540
-0.00008671 0.00018056 0.00022863
0.00898313 0.02536389 0.01640878
18.55326166 0.94690324 24.71304166
0.00002123 0.00022231 -0.00018765
0.00202816 -0.02281089 0.00262727
-8.40147739 3.11766192 1.13055074
-0.00051811 -0.00007197 0.00018707
0.01474172 0.00954635 -0.00955091
-7.73784059 14.22234711 -10.48389020
0.00038283 0.00002856 0.00036541
-0.03303787 -0.01265616 0.02307985
1.70633452 11.39492050 -8.97291139
0.00010634 0.00014537 -0.00004446
-0.00000823 0.01351518 -0.00005485
-11.74258140 10.06979782 -13.87064467
0.00019493 0.00020665 -0.00001556
-0.00510956 -0.01681236 0.04517481
7.04812778 4.39009314 14.68630401
-0.00048242 0.00024619 0.00012190
-0.00252226 0.00401096 0.03498738
-14.73064549 9.22719601 -9.13616327
-0.00031141 -0.00020091 0.00042908
-0.02297017 0.02776745 -0.02071019
8.49252795 8.27822715 -3.10835959
0.00002827 -0.00016566 0.00015074
0.03714988 -0.01600186 0.03344096
13.74199822 -20.43264199 -25.80668913
0.00019466 -0.00009458 -0.00018513
-0.01879154 0.00851762 -0.00181139
6.28944164 6.57627011 2.59405287
-0.00019645 0.00030544 -0.00016734
-0.02056521 -0.04056317 0.03865966
19.11610747 -5.76844751 -6.60822935
-0.00022840 -0.00004569 -0.00028315
0.04184760 -0.02629079 0.00351504
-1.68972355 0.01134782 -2.61815846
0.00004280 -0.00015171 -0.00030410
0.01360841 -0.00531455 -0.02040421
2.37361564 -1.87912334 -12.21514673
-0.00002115 0.00002566 0.00039844
-0.04545669 0.01653359 0.00573450
20.34188970 9.36907496 -5.26521219
-0.00062839 0.00002072 -0.00014318
-0.01732781 -0.02359987 -0.03626108
-7.50045950 6.44372431 9.45623393
-0.00015981 -0.00009505 -0.00004757
-0.01049634 -0.00496069 0.01701896
-2.63239853 -14.59913173 11.48891767
0.00026752 0.00011608 -0.00018586
-0.00113871 0.01339662 0.01099486
8.12339284 0.33771477 -4.97034804
-0.00001355 -0.00038190 0.00006685
0.00902437 -0.00776204 0.05118214
-0.07763793 -10.14349090 0.41824672
-0.00018278 -0.00023274 -0.00030588
-0.00167008 0.00107744 -0.00719406
-20.15327637 -1.32780997 4.76922501
-0.00013986 0.00024450 0.00008713
0.02041708 -0.03072949 0.00354533
-4.62835117 7.60823079 -23.58732406
0.00026112 0.00020013 -0.00030293
-0.01620460 -0.00873761 0.01689008
2.56568719 2.34389857 -1.21886259
-0.00001744 -0.00007207 0.00038626
0.02348468 -0.03909085 -0.00345077
15.52379112 7.46197902 4.64698994
-0.00006097 -0.00029923 -0.00025528
0.00283129 0.04032541 -0.02509100
-9.44688069 -4.69055478 7.56873309
-0.00070220 0.00027979 0.00081081
0.02196659 -0.01030552 0.02510808
-10.24417460 -3.76156995 5.02363993
0.00055956 -0.00043018 -0.00015264
-0.00853829 -0.01288790 0.01207720
-12.82795435 4.77149568 8.58703041
0.00011019 0.00025096 -0.00041267
-0.01094926 -0.01363428 0.00835084
-13.61131123 1.89010965 8.61656895
-0.00089693 0.00023172 0.00013862
-0.00386594 0.01466190 0.00302231
-15.27736520 1.85696147 5.02794180
-0.00056149 0.00135852 0.00071512
0.01695009 0.00312460 0.02048001
-17.29738488 0.10269392 4.06563083
-0.00089922 0.00014618 0.00000573
0.01547120 0.02129759 -0.01467115
3.07627928 -21.18681103 11.78288206
0.00061624 -0.00019074 0.00015754
0.00383245 -0.03124334 -0.02082620
3.66091649 -19.86575260 14.37420954
0.00030590 0.00089317 -0.00013216
-0.02558874 0.00566622 -0.04172404
8.56800937 18.85763542 1.17882976
0.00059876 -0.00070004 0.00002058
0.01559428 -0.00188638 -0.01017739
8.49026411 21.50703490 1.93715973
0.00037009 0.00062854 0.00017315
-0.00198826 0.02407609 0.00991178
-10.97865616 11.74712684 16.43481218
-0.00049241 -0.00096469 0.00050868
-0.00625017 0.01512492 -0.00214860
-12.59364514 14.24802452 15.79936336
-0.00005798 0.00002317 -0.00012780
0.00850273 -0.02027957 -0.00574306
-5.33571391 0.22057219 -13.20522758
0.00069480 -0.00031358 0.00002767
0.01117635 -0.01748956 -0.01582889
-6.71707469 0.71308015 -10.81261604
0.00032661 -0.00045670 -0.00069051
-0.01535778 -0.02461632 0.05764752
-6.80744866 6.32799173 -4.97068340
0.00006913 -0.00054998 0.00006406
-0.00755435 0.01402520 -0.00799282
-9.17874696 7.95614737 -5.42079365
0.00020745 0.00040403 -0.00000805
0.01726778 -0.00443819 -0.00479609
-8.43217144 -3.21072148 19.15214562
0.00069417 0.00066527 -0.00000083
0.01658756 -0.02267093 -0.02990704
-7.85133414 -6.08914264 18.52185664
-0.00051798 -0.00023346 -0.00015174
-0.00289387 0.02222269 -0.00767763
-23.29115466 -3.45767501 -23.38770814
-0.00062832 -0.00091547 -0.00037937
-0.00160969 0.01854475 -0.01227940
-23.02713401 -4.81629535 -20.87264732
0.00026045 -0.00113883 0.00006741
-0.00560471 0.00198054 -0.00284181
6.67881254 13.30722663 4.29779027
0.00066731 -0.00027768 0.00032750
0.01237185 -0.00507065 0.00433588
8.14755254 11.81412143 6.52144936
0.00082359 0.00007111 0.00010819
-0.00120598 0.00119297 -0.00834702
24.82480941 28.78742515 -2.27473950
0.00047331 -0.00026313 -0.00001935
-0.00284751 -0.01451249 0.01207119
24.01144133 31.65499457 -1.63648973
0.00029470 0.00015649 0.00020062
0.00811573 -0.02228365 -0.01727409
9.40368084 -2.24181621 -14.98990354
-0.00048238 0.00024163 -0.00084417
-0.01128936 0.00572884 0.00391039
7.95610307 -1.31980123 -12.73120383
0.00050108 -0.00180562 -0.00110745
-0.00796624 -0.00585372 0.01017699
-7.51827520 -0.05502845 16.01300136
-0.00108601 0.00012435 0.00060559
-0.00699015 -0.01279446 -0.00659168
-8.65064882 -2.19980693 13.98408269
-0.00094433 0.00025929 0.00076704
0.02540868 0.02736174 0.02556326
-2.66682437 -26.64652163 12.88606395
0.00022461 0.00007477 -0.00074536
0.00959469 -0.00445348 0.01031093
-3.21368150 -25.89111649 10.11332326
-0.00012002 -0.00002483 0.00019867
0.02269530 -0.00438715 0.00576040
-14.53376331 -2.87882318 -6.25045558
-0.00099901 0.00007357 0.00023021
0.00936416 -0.00741016 -0.00620000
-14.83775079 -4.59768744 -8.68574804
0.00059368 -0.00033881 -0.00000729
0.00038702 -0.00071456 -0.00430097
-19.24803446 -11.09278615 -16.77758132
0.00004047 0.00016271 -0.00044470
-0.00916540 -0.04451040 -0.02647602
-18.55518051 -13.62346991 -18.32156560
0.00094307 0.00133008 0.00066323
-0.00121336 0.00722004 0.00876199
23.83881231 3.24708071 1.54064469
0.00135893 0.00104122 0.00072068
0.00115835 0.01534304 -0.00488708
22.85540642 5.15510993 3.93113659
0.00020006 -0.00020755 -0.00042029
0.00933148 0.00315223 -0.00834848
16.13780290 -9.97671154 -13.28019447
0.00001226 -0.00038649 0.00014469
0.04383101 -0.00064995 -0.01875067
17.03030425 -9.94215418 -16.06815301
-0.00017711 -0.00077182 0.00054015
0.01599441 0.00009303 0.01257811
-0.53704975 2.23746281 -8.04657627
0.00063845 -0.00030797 -0.00011790
0.00323265 0.00337100 0.00529428
-2.23520101 0.03623209 -7.46481482
0.00005296 -0.00027014 0.00152683
-0.00598961 0.02112493 0.00344094
-5.66450193 -3.56112526 -16.70801357
0.00054106 -0.00108686 -0.00004790
0.02371294 0.00420294 0.01669051
-3.48663702 -1.68272494 -16.63370071
-0.00081623 0.00059998 0.00006431
-0.00082431 -0.00017197 -0.00231170
12.78239637 18.91780079 -20.73496153
-0.00083808 0.00013683 0.00072693
-0.00490408 -0.02268127 0.00350360
11.95464505 16.13090985 -20.09420555
0.00015324 0.00051067 -0.00002009
-0.01802736 -0.00542311 -0.00695993
-15.30438527 15.65495179 -13.65538298
0.00084981 0.00011651 -0.00152187
-0.00288255 -0.00524778 -0.00202503
-17.82458948 15.09483062 -12.24267202
0.00031665 -0.00023577 0.00074948
0.02907729 0.01106657 -0.00587382
2.73831431 14.97146032 6.03157664
-0.00041597 -0.00030180 -0.00077397
-0.00710202 0.01556065 -0.00382615
0.67355513 15.69383959 8.26879679
-0.00061834 0.00072646 0.00012522
-0.01044291 0.02066752 -0.00688720
-6.07400304 -8.23993296 1.11701893
0.00107954 -0.00039847 0.00067061
0.01218395 -0.03127519 0.03119258
-3.54865827 -9.55801614 1.66857006
-0.00002020 -0.00100133 0.00009114
0.00688733 -0.00630722 0.00354103
2.31320162 -4.62718779 2.91343490
0.00065556 -0.00085869 0.00014296
0.04248303 -0.05174778 -0.01399038
4.48580325 -6.48789097 1.36402126
-0.00000732 -0.00084812 0.00023132
0.00131553 0.01107518 0.00126869
9.16185941 5.74201412 4.20944427
-0.00007564 0.00000465 -0.00073040
0.03152474 -0.00946264 -0.00508079
12.08941104 6.24932106 4.74437502
-0.00018905 0.00035680 -0.00000647
0.00636101 0.00460848 -0.00048803
-7.32297109 -11.08027115 -2.42713015
-0.00020779 0.00121253 -0.00103506
-0.02548152 0.01733615 0.00485987
-9.77647430 -9.28395123 -1.43689982
0.00019891 0.00046912 -0.00035222
0.01483688 -0.01479294 -0.00618997
4.49217245 -16.56487721 -14.16374295
0.00053739 -0.00002869 -0.00019551
0.02823292 -0.00554067 -0.02809421
3.57992782 -16.90659074 -11.63783320
0.00201531 -0.00137399 0.00024396
-0.01953840 0.01137382 -0.01012776
5.78514261 -6.88549520 -5.96841243
-0.00063691 -0.00043544 0.00048877
-0.00387022 -0.00736135 -0.01180904
5.00607138 -8.23107351 -3.73592369
0.00027289 0.00087708 0.00109814
-0.00710726 -0.01461677 -0.00283191
16.77469188 1.42249546 24.61293491
-0.00008782 0.00067386 0.00043994
0.01115388 0.01647433 -0.00183886
19.85440281 2.28404755 24.77248520
-0.00006966 0.00013844 -0.00126499
-0.01601220 0.00442781 0.00231541
-9.77327200 3.52095230 2.34020813
0.00024856 0.00161095 -0.00006267
-0.00127658 0.00213579 -0.00080480
-7.57765768 4.75678846 0.83594016
0.00047462 -0.00064025 0.00040824
-0.00290569 -0.01238077 0.00591130
-6.43172116 14.37391837 -9.21534985
-0.00035307 -0.00080930 -0.00016157
0.00029427 0.00235657 -0.00033251
-9.31132479 13.76112960 -9.43888857
0.00047809 -0.00023745 0.00007076
0.03315395 0.00801029 -0.02326040
0.15345550 10.89352585 -8.10891275
0.00058682 0.00011041 0.00111528
0.01238049 0.00334129 0.00547438
2.62262848 12.58302316 -7.82606809
-0.00032405 -0.00120424 0.00014678
-0.01188582 -0.01764999 -0.00642991
-10.22032861 8.95350232 -13.75665584
0.00069407 0.00022515 -0.00029291
-0.02282283 0.01472567 0.00319224
-12.67407266 9.92173735 -12.12491959
-0.00014544 0.00022507 -0.00058476
0.02580396 -0.00326259 -0.04435227
7.22626705 6.16617736 15.25203417
0.00031571 0.00017541 -0.00114251
-0.00162584 -0.02304704 -0.03413301
7.17222848 4.12310291 12.88903379
0.00010209 0.00077458 -0.00014200
0.00966861 0.01510831 -0.00838878
-13.85195500 10.75556233 -8.42776988
0.00040229 -0.00106627 -0.00072736
-0.00670959 -0.01166468 0.00140455
-16.33001703 9.94839267 -9.87488353
0.00031343 0.00013630 -0.00051613
0.02365333 -0.01846323 0.01697394
8.52901149 9.83558551 -2.17934177
-0.00085851 -0.00027186 -0.00101333
-0.00331059 0.00823893 -0.00121584
7.31403721 8.46243213 -4.38301620
0.00045268 -0.00003332 -0.00178973
-0.03385661 0.01555875 -0.02612926
12.07276844 -20.28656531 -26.63265976
-0.00046749 0.00056930 0.00034696
0.01873241 -0.00075645 0.01519096
13.58593234 -19.83224483 -23.99842430
0.00055570 -0.00087665 -0.00024675
-0.00298732 -0.00944618 -0.01415812
5.65963736 4.70512230 2.72185813
0.00014775 -0.00043069 -0.00061060
0.01794362 0.04273980 -0.01916988
6.33341362 7.28769747 0.94944795
0.00018446 0.00036588 0.00004492
0.00132097 -0.00799853 -0.02081415
20.56741956 -6.52929237 -5.66184292
-0.00007672 0.00023631 -0.00024920
-0.02872606 0.01338235 -0.01577619
17.86201139 -5.29490446 -5.42776216
-0.00065506 -0.00007015 0.00018717
-0.01993257 0.01258566 0.01966221
-2.80877831 0.26604333 -1.28413373
0.00103480 0.00066044 0.00027966
-0.02102195 0.00293857 0.04145055
-2.47307702 1.00669782 -3.96893196
-0.00045581 -0.00041249 0.00048634
0.01478474 -0.00248324 -0.00812269
3.52251320 -3.25411998 -12.13681750
-0.00046904 0.00101870 -0.00023811
0.01364381 -0.01916763 0.00165929
0.59407593 -2.42565603 -11.46987463
0.00002307 -0.00047402 -0.00029717
0.03924372 -0.00000645 -0.01458672
19.58744879 8.27937631 -6.67382466
-0.00169427 0.00035256 0.00009486
0.02290940 0.02333250 0.03307522
21.94592701 8.57964672 -4.72800807
0.00033450 -0.00019616 0.00000139
-0.00348145 0.00201226 -0.00376267
-7.51173154 4.68267568 8.89502391
0.00042536 -0.00010401 0.00002987
0.00331430 -0.00140639 0.00390613
-7.51486093 6.24044855 11.29872730
-0.00062684 -0.00009492 0.00127291
-0.00240450 0.00432701 -0.01300206
-3.05675895 -16.37619279 11.49835271
-0.00060734 -0.00007290 -0.00093163
-0.00589066 0.00485534 -0.00127094
-4.15020092 -13.56970564 11.72877281
-0.00017263 -0.00028872 -0.00031947
0.00670077 -0.01934352 -0.00557260
8.38921276 0.50408261 -3.08935352
0.00059725 0.00050092 0.00044598
-0.00473064 -0.00882078 -0.03690718
7.79460848 2.04686451 -5.56680349
0.00013852 0.00046464 -0.00073957
-0.00484864 0.00879715 -0.01164249
1.24420032 -10.65922428 1.58282017
-0.00000506 -0.00010751 0.00011502
-0.00697627 -0.00340680 0.01164209
0.14365115 -8.32272641 0.27627963
-0.00029915 -0.00053023 0.00060363
0.00200228 -0.00449965 -0.00694157
-20.06665505 -1.32542541 6.61727062
-0.00059904 -0.00008057 -0.00044068
0.00296989 -0.00932591 0.01135990
-21.07287811 0.13654552 4.41848136
-0.00090561 0.00053266 0.00030749
-0.02276137 0.03634389 -0.01387615
-3.80621421 8.43579598 -24.94006359
-0.00072624 -0.00053496 -0.00025162
0.02011073 -0.00283728 -0.04501958
-4.42998262 9.04716129 -22.55011179
-0.00033330 -0.00007071 0.00066992
-0.00400894 0.00963764 0.03716508
3.80508386 0.96194356 -0.91627655
0.00066039 0.00005852 0.00005930
-0.00861987 0.02705786 -0.00291293
1.20037634 1.30097197 -1.98809980
0.00063404 -0.00176427 0.00087078
-0.01001195 0.01354839 0.00224129
15.95506490 7.49051775 6.44310211
-0.00047310 0.00037739 0.00070807
0.00061661 0.01012209 -0.00929235
15.84309159 9.20492256 3.82526924
0.00023728 0.00002372 -0.00009644
-0.00561809 -0.04536180 0.02752283
-0.34441415 -11.81672798 -13.28431221
0.00006532 -0.00000745 0.00023611
0.01044238 -0.00182731 -0.00195687
-13.93820472 14.49549099 22.17723291
-0.00001606 -0.00011968 0.00014850
-0.00082623 -0.00301996 0.00015794
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02858469
0.31506159
419.80377749
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.2675219992 (a.u.)
total exchange computation time: 2.8708720207 s
-153.7169858270
-931.34731457
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2680695059 (a.u.)
total exchange computation time: 2.8701210022 s
-153.7138600596
Anderson extrapolation: theta=1.3459145733 (1.3459145733)
-931.34756734
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2687833903 (a.u.)
total exchange computation time: 2.8717160225 s
-153.7098335059
Anderson extrapolation: theta=0.0504972961 (0.0504972961)
-931.34771742
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2687918597 (a.u.)
total exchange computation time: 2.8715250492 s
-153.7098656125
Anderson extrapolation: theta=1.9014547501 (1.9014547501)
-931.34772284
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.2687901511 (a.u.)
total exchange computation time: 2.8717370033 s
-153.7099772328
Anderson extrapolation: theta=0.2195490355 (0.2195490355)
-931.34772853
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.2687816798 (a.u.)
total exchange computation time: 2.8731260300 s
-153.7099811765
Anderson extrapolation: theta=1.8821126588 (1.8821126588)
-931.34772960
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.2687728022 (a.u.)
total exchange computation time: 2.8729641438 s
-153.7098687189
Anderson extrapolation: theta=0.2927814599 (0.2927814599)
-931.34773094
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.2687780457 (a.u.)
total exchange computation time: 2.8705368042 s
-153.7097266434
Anderson extrapolation: theta=1.3126535672 (1.3126535672)
-931.34773126
-209.022063 50.335432 -159.821321
-133.726934 460.276660 -799.756049
-342.748997 510.612092 -959.577371
1139.732562
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.2687904607 (a.u.)
total exchange computation time: 2.8700070381 s
677.43826152
-1080.53384226
89.84675185
-391.27362413
-174.55648800
76.49072433
551.60419304
0.00000000
-931.34773148
-10.92911288 -4.25541786 6.70863450
0.00003783 -0.00009353 -0.00009145
-0.00444924 0.00948452 -0.03679342
-14.02968409 3.57767153 9.34622599
0.00035161 0.00014206 -0.00028479
0.01082211 0.00734102 -0.00954735
-15.94459526 1.37106668 3.44298139
0.00007983 0.00015911 -0.00017956
-0.03511092 -0.01974257 -0.00054991
2.53333123 -19.83520178 12.79733895
0.00023922 -0.00002355 0.00004600
0.01998703 0.02835265 0.06064882
9.63050398 20.37827356 1.09623727
-0.00010552 -0.00004388 0.00042478
-0.01526316 -0.01688962 -0.00549764
-12.04322927 12.56536060 15.15418733
-0.00030077 -0.00001065 0.00013805
0.01555924 0.01903134 0.00958278
-6.25254135 1.45481274 -12.32425623
0.00012993 -0.00005088 -0.00033563
0.00446689 0.04061341 -0.04410489
-7.40562460 7.79268092 -5.95556610
-0.00010638 -0.00004762 -0.00018738
-0.01139158 -0.01715930 0.00651100
-7.71822581 -4.34509718 17.79286904
-0.00015654 0.00008856 -0.00001093
-0.01323363 -0.01551545 0.04552192
-23.52206056 -5.06264590 -22.61355026
-0.00014040 -0.00019912 -0.00021670
-0.00245880 -0.02211229 0.01495474
6.62430874 12.76522910 6.05053892
-0.00017940 0.00004832 -0.00005498
-0.00003003 -0.00093862 0.00301545
24.73238012 30.45664938 -2.92758806
0.00014525 0.00025502 -0.00019235
-0.00886051 0.03141045 0.00831422
7.91547674 -1.13202244 -14.52682463
-0.00000082 0.00041306 -0.00008823
0.00931956 0.00382710 -0.00630404
-7.30337838 -0.92797416 14.38470179
-0.00010445 0.00004875 -0.00028929
-0.01699058 -0.00757680 -0.02594787
-1.79221304 -26.22522666 11.30480440
0.00027876 0.00006627 -0.00005444
-0.02694931 0.01116885 -0.02992787
-14.08829705 -4.52540602 -7.01384908
0.00021817 0.00024663 0.00008932
-0.00889327 0.00656081 0.00540562
-20.00987386 -12.60925623 -17.75409163
-0.00005508 -0.00020657 0.00020020
0.01807378 0.03753637 0.01816305
22.75103763 3.59461928 3.00276724
0.00005976 -0.00020936 -0.00002377
-0.01534058 -0.01451005 0.01671040
17.75402878 -10.22306173 -14.36629811
-0.00023005 -0.00030576 -0.00010571
-0.05662194 0.00721304 0.01258832
-2.03965997 1.84328206 -7.03588796
0.00022861 -0.00023425 0.00012963
-0.00082752 -0.01866987 -0.02248299
-4.21945282 -3.03849535 -15.61799496
-0.00028780 0.00002221 -0.00005401
-0.02057096 0.00036542 -0.01869035
13.35311031 17.26553798 -20.05010226
0.00008519 0.00008653 0.00036730
0.02990605 0.02844692 -0.00103937
-16.19037624 16.07346398 -12.11104046
0.00039861 0.00012103 0.00013516
-0.01815053 -0.00582875 0.00790856
1.81592304 14.52522611 7.53416931
0.00070970 0.00032977 -0.00002088
-0.00232446 -0.03264481 0.01873498
-5.31522303 -9.65331581 2.20033131
-0.00027384 -0.00003633 0.00016576
-0.00921380 0.02885179 -0.02712321
3.09667952 -6.44480193 2.57570915
-0.00006441 -0.00011007 0.00024518
-0.03281279 0.04470937 0.02101206
10.87608764 4.90954440 4.45194905
0.00000069 0.00014082 -0.00019247
-0.03827670 0.01286740 0.00940365
-8.52583698 -9.67257139 -2.77068891
0.00008514 0.00005160 -0.00029626
-0.00027236 0.00391572 -0.00345945
3.14696115 -15.95825816 -13.20024082
-0.00017085 0.00023320 0.00006905
-0.00652966 -0.00947488 0.04148533
4.81520962 -8.42723211 -5.55767264
-0.00008264 0.00019265 0.00023923
0.00685852 0.02164652 0.02479713
18.55358792 0.95014992 24.71023711
0.00002176 0.00021065 -0.00018637
0.00004850 -0.02253032 0.00234293
-8.40919214 3.11661917 1.13331995
-0.00051005 -0.00006718 0.00018186
0.01659052 0.00906770 -0.01070113
-7.73222563 14.22272674 -10.47832006
0.00036467 0.00002187 0.00037583
-0.03756475 -0.01336482 0.01743683
1.70792962 11.39715312 -8.97357855
0.00010532 0.00015137 -0.00004487
-0.00394949 0.00981683 -0.00153349
-11.73967714 10.07283270 -13.87070375
0.00019278 0.00019786 0.00000716
-0.00326316 -0.01737262 0.04315743
7.04088177 4.39380141 14.68826742
-0.00048361 0.00024773 0.00013883
-0.00209752 0.00198998 0.03087702
-14.73540525 9.22428954 -9.12980696
-0.00032349 -0.00018769 0.00041792
-0.02399747 0.02362600 -0.02268625
8.49309533 8.27568057 -3.10596955
0.00004506 -0.00017471 0.00016487
0.02813570 -0.01919497 0.02153297
13.74484557 -20.43402780 -25.80947300
0.00018442 -0.00009024 -0.00018665
-0.02102001 0.00834124 -0.00409846
6.28641550 6.58069518 2.59169187
-0.00020708 0.00028401 -0.00014728
-0.02073898 -0.04276257 0.03937198
19.11284284 -5.76923427 -6.61246302
-0.00020797 -0.00005875 -0.00028041
0.03760993 -0.02451389 0.00712280
-1.68902904 0.00905173 -2.62279868
0.00004997 -0.00015497 -0.00031379
0.01425634 -0.00736683 -0.01725505
2.37312304 -1.87867466 -12.20914794
-0.00004578 0.00003586 0.00040111
-0.05030323 0.02311826 0.00464297
20.33239706 9.36929473 -5.26749973
-0.00063603 0.00000824 -0.00016132
-0.01238657 -0.02494416 -0.03428966
-7.50289719 6.44227938 9.45558597
-0.00016522 -0.00009765 -0.00003664
-0.01051705 -0.00514206 0.02548938
-2.62839018 -14.59733892 11.48617211
0.00026633 0.00012217 -0.00018018
-0.00348963 0.01029407 0.01111586
8.12322442 0.33195626 -4.96914788
-0.00000907 -0.00038397 0.00009313
0.00838697 -0.00027329 0.05102541
-0.08038614 -10.14697791 0.41363074
-0.00018314 -0.00023300 -0.00030891
0.00028121 -0.00206953 -0.00456389
-20.15529544 -1.32426101 4.77054568
-0.00013020 0.00023012 0.00008777
0.01711284 -0.02518690 -0.00106754
-4.62449690 7.61119897 -23.59180282
0.00025203 0.00019527 -0.00029240
-0.01912691 -0.01013572 0.02405785
2.56551611 2.34266677 -1.21308199
-0.00000526 -0.00009294 0.00038425
0.02391418 -0.04207695 -0.00438665
15.52288744 7.45764615 4.64306393
-0.00005908 -0.00027816 -0.00026670
0.00454678 0.04159816 -0.01930807
-9.45674051 -4.68667365 7.58166457
-0.00060921 0.00023727 0.00091503
0.02355148 -0.01050956 0.02591051
-10.23604283 -3.76841765 5.02172044
0.00052479 -0.00048337 -0.00010139
-0.00848141 -0.01314498 0.01300721
-12.82663708 4.77484224 8.58109630
0.00006641 0.00019442 -0.00037944
-0.01047980 -0.01404013 0.00791373
-13.62488357 1.89403477 8.61874081
-0.00090959 0.00028555 0.00014796
-0.00233506 0.01168884 0.00155291
-15.28526811 1.87743497 5.03929615
-0.00049903 0.00136616 0.00078440
0.01362380 0.00061727 0.01343223
-17.31039903 0.10553922 4.06526717
-0.00083159 0.00023635 -0.00005536
0.01763140 0.02284433 -0.01523358
3.08564037 -21.19062959 11.78460701
0.00063039 -0.00031534 0.00007533
0.00309178 -0.02974765 -0.01941756
3.66472093 -19.85218141 14.37094859
0.00020235 0.00091523 -0.00030080
-0.02510327 0.00513249 -0.04082728
8.57746865 18.84707701 1.17882662
0.00066136 -0.00070391 -0.00001979
0.01504749 -0.00000729 -0.00958325
8.49575457 21.51720073 1.94006073
0.00036105 0.00072359 0.00021343
-0.00243664 0.02245107 0.00980230
-10.98623384 11.73311994 16.44237657
-0.00052233 -0.00089787 0.00049475
-0.00839494 0.01758322 -0.00467176
-12.59425423 14.24775064 15.79727040
-0.00002380 -0.00005792 -0.00014974
0.00822619 -0.01941390 -0.00499701
-5.32494936 0.21533249 -13.20529750
0.00073739 -0.00038008 -0.00003462
0.00967159 -0.01506183 -0.01466332
-6.71264616 0.70547528 -10.82120720
0.00026274 -0.00055732 -0.00045311
-0.01590884 -0.02463760 0.05856293
-6.80664324 6.32017182 -4.96996747
0.00003540 -0.00048673 0.00002760
-0.00895586 0.01693410 -0.00985435
-9.17510614 7.96207188 -5.42106131
0.00027488 0.00038572 -0.00002632
0.01574172 -0.00452896 -0.00414909
-8.42125062 -3.20143714 19.15121676
0.00076111 0.00057167 -0.00012221
0.01618311 -0.02314450 -0.02951228
-7.85919247 -6.09196358 18.51934526
-0.00052966 -0.00013954 -0.00018347
-0.00282620 0.02375103 -0.00785470
-23.30062872 -3.47083875 -23.39377495
-0.00063319 -0.00083016 -0.00043208
-0.00077664 0.02321415 -0.01352416
-23.02339896 -4.83331711 -20.87172324
0.00023677 -0.00112920 0.00005085
-0.00599073 0.00273208 -0.00526390
6.68920125 13.30290605 4.30283559
0.00071700 -0.00029564 0.00033839
0.01195393 -0.00372052 0.00099638
8.15986939 11.81522464 6.52281639
0.00080905 0.00008132 0.00007248
-0.00590975 0.00380526 -0.00912921
24.83182180 28.78303352 -2.27465979
0.00046111 -0.00031290 0.00002598
-0.00312338 -0.00985052 0.01011812
24.01611058 31.65665905 -1.63400981
0.00032807 0.00006486 0.00012895
0.00821491 -0.02257105 -0.01780684
9.39609916 -2.23801627 -15.00244622
-0.00052724 0.00026510 -0.00083008
-0.01067059 0.00576066 0.00298672
7.96337510 -1.34706491 -12.74750366
0.00046776 -0.00183023 -0.00105245
-0.00834358 -0.00619383 0.01674382
-7.53477957 -0.05355520 16.02188320
-0.00111060 0.00006809 0.00056785
-0.00504657 -0.01474620 -0.01188285
-8.66403512 -2.19507907 13.99637164
-0.00083827 0.00037121 0.00086895
0.02650582 0.02742017 0.02432263
-2.66316120 -26.64553655 12.87519952
0.00026099 0.00005479 -0.00069584
0.00821245 -0.00532573 0.01392799
-3.21478641 -25.89162337 10.11647977
-0.00002588 -0.00004265 0.00022196
0.02338976 -0.00433454 0.00564158
-14.54846145 -2.87794677 -6.24719248
-0.00095956 0.00004126 0.00020348
0.00994275 -0.00840441 -0.00688042
-14.82883376 -4.60279151 -8.68598913
0.00059456 -0.00034146 -0.00002520
0.00004676 -0.00058284 -0.00446542
-19.24770833 -11.09170945 -16.78506319
0.00000125 -0.00001733 -0.00055074
-0.01003181 -0.04362100 -0.02543079
-18.54107163 -13.60329742 -18.31134859
0.00093849 0.00135528 0.00069673
-0.00102930 0.00511206 0.00763323
23.85923175 3.26316923 1.55130518
0.00136180 0.00110120 0.00070065
0.00024748 0.01401658 -0.00492111
22.85869334 5.15209325 3.92457638
0.00023729 -0.00019203 -0.00045110
0.00889170 0.00444458 -0.00673087
16.13932990 -9.98252879 -13.27859875
0.00019020 -0.00038868 0.00006863
0.04327290 -0.00042200 -0.01847852
17.02813779 -9.95372867 -16.05966539
-0.00011531 -0.00076977 0.00058298
0.01425270 0.00091281 0.00838939
-0.52737398 2.23294655 -8.04818255
0.00064618 -0.00029666 -0.00009330
0.00055019 0.00216313 0.00674611
-2.23459022 0.03282738 -7.44180699
0.00002920 -0.00018708 0.00153859
-0.00564058 0.01953092 0.00231983
-5.65565942 -3.57729941 -16.70822055
0.00063394 -0.00107021 0.00001756
0.02175392 0.00394978 0.01534941
-3.49890577 -1.67373056 -16.63280686
-0.00082061 0.00059728 0.00005579
-0.00131802 -0.00114837 -0.00186119
12.76967488 18.91915825 -20.72395027
-0.00085607 0.00004401 0.00074143
-0.00390189 -0.02275470 0.00359789
11.95639119 16.13840378 -20.09472020
0.00007657 0.00048395 -0.00004805
-0.01950269 -0.00765812 -0.00672375
-15.29172638 15.65653858 -13.67827305
0.00082519 0.00009941 -0.00150992
-0.00916959 -0.00312107 0.00787399
-17.81894873 15.09163317 -12.23160975
0.00043737 -0.00018906 0.00072408
0.03001584 0.01179856 -0.00656039
2.73185720 14.96741008 6.01984987
-0.00044414 -0.00023725 -0.00079104
-0.00668934 0.01604021 -0.00453182
0.66396009 15.70536983 8.27046406
-0.00064789 0.00079693 0.00008827
-0.00402181 0.01382708 -0.01120010
-6.05743652 -8.24686834 1.12803390
0.00112292 -0.00051733 0.00079106
0.00905097 -0.02690855 0.02776854
-3.54875029 -9.57322939 1.67004573
0.00000502 -0.00102738 0.00010674
0.00546206 -0.00644550 0.00409390
2.32433684 -4.64165391 2.91515059
0.00082550 -0.00106250 0.00008646
0.04070174 -0.04801467 -0.01366832
4.48573379 -6.50027334 1.36752987
-0.00000239 -0.00080250 0.00023708
0.00109458 0.01125395 0.00155329
9.16169082 5.74179391 4.19833259
0.00005308 -0.00003386 -0.00075078
0.03148504 -0.00938778 -0.00489382
12.08677016 6.25481429 4.74426304
-0.00016384 0.00037481 -0.00000858
0.00598228 0.00420804 -0.00054453
-7.32686877 -11.06155197 -2.44250718
-0.00030180 0.00127124 -0.00101107
-0.02053522 0.01140358 0.00688452
-9.77303597 -9.27736766 -1.44237283
0.00025954 0.00040808 -0.00037674
0.01484273 -0.01508999 -0.00581228
4.50109837 -16.56547727 -14.16753653
0.00064018 -0.00004481 -0.00030356
0.02208420 -0.00235084 -0.02479689
3.60955879 -16.92685209 -11.63448416
0.00192837 -0.00131790 0.00019032
-0.02301809 0.01608195 -0.01612782
5.77547030 -6.89225244 -5.96144273
-0.00064685 -0.00045629 0.00043671
-0.00099166 -0.00284344 -0.01367583
5.00994692 -8.21836517 -3.71953837
0.00024247 0.00081533 0.00107361
-0.00778458 -0.01561101 -0.00917765
16.77371642 1.43310813 24.61947762
-0.00004014 0.00073956 0.00043207
0.01218583 0.01568588 -0.00201235
19.85286723 2.28625990 24.75358123
-0.00013351 0.00015759 -0.00125465
-0.01524385 0.00494481 0.00274985
-9.76958266 3.54518204 2.33924346
0.00023878 0.00161810 -0.00006266
-0.00351379 0.00136149 0.00080916
-7.57062749 4.74680533 0.84224484
0.00046402 -0.00068938 0.00043067
-0.00227985 -0.01167031 0.00506857
-6.43700821 14.36185104 -9.21778359
-0.00034024 -0.00079805 -0.00015243
0.00598577 0.00315282 0.00480870
-9.30313756 13.75781326 -9.43853999
0.00061107 -0.00020489 -0.00002313
0.03194218 0.00793105 -0.02270014
0.16263715 10.89528434 -8.09201573
0.00063736 0.00012284 0.00113493
0.01236079 0.00274606 0.00414080
2.61740347 12.56441878 -7.82406345
-0.00036504 -0.00126755 0.00012595
-0.00817764 -0.01334303 -0.00376501
-10.21061689 8.95733080 -13.76095165
0.00059714 0.00028711 -0.00027910
-0.02462803 0.01560345 0.00356606
-12.67546360 9.92501348 -12.13505001
-0.00003994 0.00021107 -0.00076286
0.02584262 -0.00359409 -0.04283002
7.23095285 6.16810235 15.23385062
0.00030897 0.00008667 -0.00127732
-0.00167124 -0.02039229 -0.03185647
7.17405617 4.13518455 12.88664669
0.00014139 0.00083410 -0.00017239
0.00956569 0.01402722 -0.00648761
-13.84612622 10.73921088 -8.43863718
0.00037791 -0.00110570 -0.00071789
-0.00522559 -0.00763787 0.00322973
-16.32459074 9.94987138 -9.88210534
0.00040865 0.00006132 -0.00044621
0.02295682 -0.01823880 0.01725048
8.51603245 9.83176013 -2.19457901
-0.00087130 -0.00022814 -0.00101183
-0.00295338 0.01315868 0.00195266
7.31978995 8.46240904 -4.41066278
0.00033213 0.00002683 -0.00187873
-0.02515273 0.01388726 -0.01743683
12.06633018 -20.27804897 -26.62698992
-0.00038643 0.00056527 0.00041048
0.02094505 -0.00121569 0.01590401
13.59417631 -19.84568409 -24.00255934
0.00054311 -0.00091345 -0.00030115
-0.00317448 -0.00856606 -0.01247144
5.66240352 4.69997168 2.71211169
0.00022192 -0.00025285 -0.00068819
0.01836037 0.04431327 -0.01881114
6.33622094 7.29294060 0.94948391
0.00019015 0.00033416 -0.00004217
0.00146529 -0.00752729 -0.02181730
20.56538854 -6.52533761 -5.66606428
-0.00019356 0.00029043 -0.00031312
-0.02846888 0.01310686 -0.01551409
17.85157470 -5.29557112 -5.42435206
-0.00072839 -0.00002179 0.00025959
-0.01596393 0.01109016 0.01578760
-2.79390044 0.27604000 -1.27866859
0.00094985 0.00067204 0.00044913
-0.02056152 0.00273911 0.04150587
-2.47946117 1.00043438 -3.96188579
-0.00039764 -0.00041864 0.00044800
0.01369377 -0.00052822 -0.01064396
3.51589564 -3.23942689 -12.14033827
-0.00040181 0.00092641 -0.00023068
0.01926854 -0.02600553 0.00197622
0.59562449 -2.43276649 -11.47477912
0.00018223 -0.00047335 -0.00035509
0.03866741 0.00033162 -0.01376462
19.56273680 8.28537966 -6.67138828
-0.00159849 0.00044680 0.00022965
0.02397597 0.02280031 0.03290457
21.95083780 8.57676601 -4.72810254
0.00030955 -0.00018402 -0.00001781
-0.00873229 0.00392826 -0.00563425
-7.50524961 4.68107249 8.89559159
0.00043871 -0.00011056 0.00004623
0.00322211 -0.00180100 0.00410206
-7.52433724 6.23915728 11.31742257
-0.00063637 -0.00007589 0.00120218
-0.00226076 0.00499136 -0.02162043
-3.06604955 -16.37713753 11.48433938
-0.00062843 -0.00004794 -0.00093687
-0.00443491 0.00736284 -0.00129774
-4.15258505 -13.57462925 11.72381007
-0.00014359 -0.00036683 -0.00034250
0.00751657 -0.01889156 -0.00570382
8.39802662 0.51132607 -3.08379475
0.00057653 0.00046389 0.00029025
-0.00541597 -0.00930293 -0.03932179
7.79653772 2.05410362 -5.57825382
0.00012102 0.00048735 -0.00078207
-0.00371818 0.00232177 -0.00915874
1.24391064 -10.66094137 1.58490223
-0.00003759 -0.00012110 0.00015910
-0.00894867 -0.00324409 0.00993590
0.13922524 -8.33081771 0.28512143
-0.00029076 -0.00054283 0.00057374
0.00210561 -0.00167115 -0.00769244
-20.07554967 -1.32691976 6.61100859
-0.00058606 -0.00011852 -0.00038746
0.00338407 -0.00925010 0.01469113
-21.08715972 0.14564904 4.42266845
-0.00099178 0.00067043 0.00025311
-0.01942193 0.03109972 -0.01274191
-3.81649161 8.42768466 -24.94521741
-0.00063850 -0.00053876 -0.00044264
0.02283933 0.00097436 -0.04848886
-4.43510503 9.04639601 -22.53892415
-0.00034941 -0.00003656 0.00081467
-0.00387527 0.00707906 0.03369144
3.81472562 0.96365048 -0.91547636
0.00062438 0.00017181 0.00004772
-0.00900815 0.02840017 -0.00275450
1.20958015 1.27492306 -1.97496944
0.00059363 -0.00170479 0.00088018
-0.00977102 0.01556780 0.00236115
15.94798722 7.49648883 6.45343846
-0.00047312 0.00041738 0.00065900
-0.00062465 0.00945005 -0.01472891
15.84647858 9.20388834 3.82466599
0.00021333 -0.00016288 0.00001564
-0.00610352 -0.04597922 0.02734470
-0.34340630 -11.81684468 -13.28077575
0.00006908 -0.00000809 0.00023542
0.01055721 -0.00171478 -0.00193325
-13.93844700 14.49369048 22.17946071
-0.00001626 -0.00012037 0.00014854
-0.00092151 -0.00289420 0.00019660
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02859659
0.31913489
425.23124521
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.2651918223 (a.u.)
total exchange computation time: 2.8700928688 s
-153.7194828786
-931.35246579
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.2658288355 (a.u.)
total exchange computation time: 2.8724560738 s
-153.7156112162
Anderson extrapolation: theta=1.3450713149 (1.3450713149)
-931.35271122
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.2666659172 (a.u.)
total exchange computation time: 2.7805368900 s
-153.7105758144
Anderson extrapolation: theta=0.0502986041 (0.0502986041)
-931.35285671
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.2666825486 (a.u.)
total exchange computation time: 2.7810819149 s
-153.7105511802
Anderson extrapolation: theta=1.8946934593 (1.8946934593)
-931.35286193
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2666961638 (a.u.)
total exchange computation time: 2.7797019482 s
-153.7105565586
Anderson extrapolation: theta=0.2183405547 (0.2183405547)
-931.35286740
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2666905043 (a.u.)
total exchange computation time: 2.7793028355 s
-153.7105407058
Anderson extrapolation: theta=1.8784900353 (1.8784900353)
-931.35286844
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.2666856740 (a.u.)
total exchange computation time: 2.7808749676 s
-153.7103985280
Anderson extrapolation: theta=0.2913717952 (0.2913717952)
-931.35286975
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.2666908173 (a.u.)
total exchange computation time: 2.7788169384 s
-153.7102556176
Anderson extrapolation: theta=1.3082040700 (1.3082040700)
-931.35287006
-209.028893 50.274826 -159.803420
-133.697197 460.274453 -799.792566
-342.726090 510.549279 -959.595986
1139.713207
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.2667019854 (a.u.)
total exchange computation time: 2.7682819366 s
677.39014257
-1080.44929842
89.85838385
-391.33442041
-174.55097590
76.44458981
551.60419304
0.00000000
-931.35287029
-10.92856256 -4.25678427 6.70712083
0.00003534 -0.00008864 -0.00011040
-0.00524428 0.00952523 -0.03688177
-14.02436826 3.57983071 9.34191725
0.00035656 0.00014666 -0.00028908
0.00844741 0.01055656 -0.00712751
-15.94353328 1.37337724 3.44028592
0.00006215 0.00014942 -0.00017787
-0.03363773 -0.01797243 0.00709754
2.53699657 -19.83544567 12.79826292
0.00024951 -0.00000952 0.00007616
0.02003580 0.02620616 0.05662825
9.62886228 20.37755026 1.10258781
-0.00011316 -0.00005252 0.00042192
-0.01443829 -0.01672100 -0.00562718
-12.04768080 12.56527429 15.15629506
-0.00029218 -0.00000181 0.00014328
0.01785907 0.01534253 0.01074633
-6.25057522 1.45420626 -12.32946075
0.00013261 -0.00003101 -0.00035826
0.00597864 0.03665687 -0.04392240
-7.40726431 7.79190049 -5.95835170
-0.00011143 -0.00005708 -0.00018384
-0.00821022 -0.01964025 0.00724332
-7.72062499 -4.34382859 17.79288067
-0.00016312 0.00008030 0.00001219
-0.01236549 -0.01662022 0.04439465
-23.52417607 -5.06571793 -22.61674304
-0.00014173 -0.00021165 -0.00020817
-0.00271074 -0.02664908 0.01820743
6.62161758 12.76595034 6.04972578
-0.00017811 0.00004685 -0.00005241
0.00505322 -0.00477713 0.00700551
24.73452467 30.46059591 -2.93044126
0.00014071 0.00026983 -0.00018761
-0.00878249 0.02618133 0.01012463
7.91550040 -1.12581176 -14.52817234
0.00000389 0.00041515 -0.00009270
0.00899225 0.00428363 -0.01109508
-7.30501069 -0.92727208 14.38026229
-0.00011377 0.00004542 -0.00030104
-0.01926152 -0.00540687 -0.01972153
-1.78813561 -26.22418946 11.30387235
0.00026510 0.00007211 -0.00007061
-0.02614918 0.01152702 -0.03294453
-14.08505875 -4.52168128 -7.01248844
0.00021358 0.00025011 0.00009222
-0.00896238 0.00698669 0.00588509
-20.01063040 -12.61220998 -17.75101855
-0.00004574 -0.00018716 0.00020943
0.01824453 0.03793650 0.01772609
22.75187485 3.59142292 3.00247517
0.00005221 -0.00021681 -0.00001556
-0.01403065 -0.01447998 0.01520849
17.75035969 -10.22762036 -14.36783513
-0.00025830 -0.00030232 -0.00009821
-0.05324808 0.00619146 0.01654523
-2.03623398 1.83969631 -7.03403017
0.00022876 -0.00024300 0.00011792
0.00141733 -0.01535486 -0.02306745
-4.22384922 -3.03816074 -15.61887719
-0.00029758 0.00002278 -0.00006329
-0.01745729 0.00184747 -0.01741381
13.35450353 17.26694569 -20.04459679
0.00010053 0.00010152 0.00036664
0.02975228 0.02984688 -0.00153473
-16.18446705 16.07525703 -12.10898255
0.00039069 0.00011751 0.00013708
-0.01264638 -0.00789691 -0.00045123
1.82655952 14.53004669 7.53392843
0.00070675 0.00031457 -0.00001001
-0.00915168 -0.02646545 0.02352591
-5.31936614 -9.65374940 2.20271314
-0.00027719 -0.00002287 0.00015271
-0.00384100 0.02348860 -0.02362696
3.09558685 -6.44628045 2.57946793
-0.00008062 -0.00008841 0.00025562
-0.03023796 0.03951126 0.01958805
10.87595036 4.91170635 4.44909822
-0.00001875 0.00014763 -0.00018759
-0.03732168 0.01360557 0.00958003
-8.52456100 -9.67178231 -2.77514619
0.00008360 0.00005539 -0.00029870
-0.00571859 0.01081745 -0.00603258
3.14437316 -15.95479676 -13.19904505
-0.00017166 0.00022639 0.00009065
0.00339052 -0.01698798 0.04250783
4.81399655 -8.42425894 -5.55398857
-0.00007972 0.00020272 0.00025396
0.00446697 0.01754679 0.03247796
18.55391454 0.95322279 24.70745062
0.00002130 0.00019915 -0.00018524
-0.00183835 -0.02219822 0.00205377
-8.41677890 3.11564638 1.13600660
-0.00050114 -0.00006271 0.00017613
0.01804793 0.00833538 -0.01158836
-7.72690048 14.22300327 -10.47261539
0.00034438 0.00001490 0.00038322
-0.04132870 -0.01374124 0.01132505
1.70949425 11.39946148 -8.97425754
0.00010223 0.00015538 -0.00004615
-0.00810250 0.00579188 -0.00345126
-11.73679806 10.07573356 -13.87042988
0.00019156 0.00018889 0.00002861
-0.00148460 -0.01748450 0.04026657
7.03361958 4.39752504 14.69046904
-0.00048458 0.00024807 0.00015349
-0.00168614 -0.00068627 0.02613048
-14.74035015 9.22156534 -9.12362567
-0.00033598 -0.00017674 0.00040584
-0.02456990 0.01893843 -0.02429295
8.49387977 8.27298591 -3.10341339
0.00005718 -0.00018531 0.00017276
0.01899324 -0.02202486 0.00914272
13.74753076 -20.43534926 -25.81228850
0.00017320 -0.00008603 -0.00018933
-0.02262219 0.00803958 -0.00635030
6.28322936 6.58479035 2.58963462
-0.00021772 0.00026174 -0.00012710
-0.02063273 -0.04381285 0.03908499
19.10986836 -5.77021014 -6.61664173
-0.00019005 -0.00007076 -0.00027582
0.03206868 -0.02216263 0.01073497
-1.68822455 0.00669882 -2.62757203
0.00005719 -0.00015922 -0.00032144
0.01383691 -0.00919151 -0.01250981
2.37224236 -1.87804763 -12.20311332
-0.00007259 0.00004928 0.00040321
-0.05395984 0.02906225 0.00351361
20.32280886 9.36932208 -5.27005180
-0.00064113 -0.00000475 -0.00017830
-0.00745760 -0.02555270 -0.03172145
-7.50541602 6.44079479 9.45513465
-0.00017064 -0.00010031 -0.00002167
-0.01058176 -0.00521884 0.03274869
-2.62440874 -14.59546669 11.48351232
0.00026402 0.00012662 -0.00017446
-0.00549492 0.00700977 0.01110622
8.12312069 0.32619564 -4.96755408
-0.00000494 -0.00038226 0.00011906
0.00767290 0.00693963 0.04979362
-0.08313219 -10.15048089 0.40897956
-0.00018251 -0.00023488 -0.00031058
0.00218340 -0.00524859 -0.00194226
-20.15718250 -1.32090636 4.77185812
-0.00012243 0.00021885 0.00008606
0.01310890 -0.01865691 -0.00559135
-4.62079018 7.61408895 -23.59609599
0.00024165 0.00019002 -0.00027835
-0.02124359 -0.01028609 0.03056517
2.56552952 2.34111036 -1.20733523
0.00000701 -0.00011517 0.00038172
0.02379387 -0.04437886 -0.00543764
15.52201884 7.45363419 4.63898897
-0.00005638 -0.00025667 -0.00027514
0.00592177 0.04197274 -0.01350384
-9.46515696 -4.68343661 7.59618401
-0.00051248 0.00019476 0.00102082
0.02379754 -0.01029907 0.02587612
-10.22843086 -3.77607095 5.02059812
0.00049074 -0.00053728 -0.00004724
-0.00818838 -0.01324367 0.01350079
-12.82596206 4.77732835 8.57564719
0.00002531 0.00013703 -0.00034847
-0.00963858 -0.01405366 0.00724611
-13.63859902 1.89867626 8.62100785
-0.00091597 0.00032654 0.00015112
-0.00078884 0.00837571 -0.00000553
-15.29233607 1.89794630 5.05147371
-0.00045023 0.00136312 0.00082414
0.01026269 -0.00210497 0.00602145
-17.32233261 0.10978456 4.06396990
-0.00075612 0.00033184 -0.00011825
0.01931409 0.02389412 -0.01555045
3.09519095 -21.19627128 11.78514193
0.00064049 -0.00043157 0.00000055
0.00185238 -0.02714653 -0.01718594
3.66698690 -19.83829567 14.36518550
0.00010211 0.00093509 -0.00046386
-0.02396127 0.00458938 -0.03899189
8.58785013 18.83651816 1.17823615
0.00072122 -0.00070040 -0.00005761
0.01425747 0.00172682 -0.00893280
8.50109570 21.52874249 1.94356248
0.00035089 0.00081092 0.00025261
-0.00254068 0.02029996 0.00937848
-10.99432601 11.72019065 16.44965465
-0.00056035 -0.00082154 0.00047117
-0.01021617 0.01978351 -0.00686929
-12.59435917 14.24628696 15.79487119
0.00000887 -0.00013439 -0.00016828
0.00776495 -0.01802072 -0.00407791
-5.31359208 0.20916970 -13.20626608
0.00077290 -0.00043563 -0.00009127
0.00771107 -0.01212742 -0.01307075
-6.70919261 0.69636048 -10.82620927
0.00019831 -0.00065554 -0.00021725
-0.01562946 -0.02344073 0.05689185
-6.80638668 6.31338974 -4.96985547
-0.00000350 -0.00041274 -0.00001571
-0.01008654 0.01928810 -0.01134494
-9.17050057 7.96771882 -5.42158325
0.00033505 0.00036724 -0.00004167
0.01371348 -0.00451289 -0.00336435
-8.40933799 -3.19357124 19.14847920
0.00082568 0.00047741 -0.00024051
0.01542112 -0.02299883 -0.02839582
-7.86722402 -6.09332891 18.51635249
-0.00054114 -0.00004067 -0.00021542
-0.00279236 0.02464626 -0.00778650
-23.31015038 -3.48257977 -23.40067060
-0.00063494 -0.00072751 -0.00048909
-0.00008077 0.02703493 -0.01438212
-23.02003106 -4.85017143 -20.87112176
0.00021162 -0.00111634 0.00002485
-0.00631827 0.00356256 -0.00746541
6.70032257 13.29835745 4.30794198
0.00076497 -0.00030800 0.00033547
0.01152790 -0.00233124 -0.00242570
8.17182404 11.81656106 6.52362391
0.00077599 0.00010166 0.00003392
-0.01027175 0.00614915 -0.00974746
24.83864278 28.77803819 -2.27395999
0.00044772 -0.00034292 0.00006296
-0.00343321 -0.00484422 0.00797986
24.02128329 31.65694024 -1.63262121
0.00036128 -0.00002691 0.00005615
0.00804321 -0.02234952 -0.01782852
9.38786352 -2.23386328 -15.01480586
-0.00056914 0.00028846 -0.00081996
-0.00983618 0.00567421 0.00196461
7.97013579 -1.37470818 -12.76277733
0.00043297 -0.00185644 -0.00097234
-0.00868402 -0.00663321 0.02246827
-7.55159324 -0.05298568 16.03003678
-0.00112706 0.00000464 0.00050954
-0.00301181 -0.01631388 -0.01666016
-8.67579698 -2.18867073 14.01015123
-0.00072917 0.00048186 0.00096514
0.02690186 0.02674768 0.02276300
-2.65899472 -26.64487786 12.86518869
0.00029179 0.00003132 -0.00063204
0.00686490 -0.00616498 0.01730119
-3.21445785 -25.89239590 10.11998203
0.00007000 -0.00006003 0.00024405
0.02354567 -0.00417242 0.00516972
-14.56255025 -2.87758544 -6.24435105
-0.00091792 0.00000542 0.00017423
0.01044108 -0.00913687 -0.00743990
-14.81991387 -4.60793129 -8.68650389
0.00059421 -0.00034354 -0.00004343
-0.00022009 -0.00043235 -0.00446257
-19.24799703 -11.09330613 -16.79410362
-0.00004086 -0.00019185 -0.00065135
-0.01057871 -0.04180705 -0.02381713
-18.52702584 -13.58281164 -18.30066377
0.00093455 0.00137181 0.00072556
-0.00089703 0.00298224 0.00648267
23.87966636 3.28011677 1.56166408
0.00136055 0.00115565 0.00068091
-0.00086163 0.01263490 -0.00474175
22.86252519 5.14934896 3.91760367
0.00027257 -0.00017131 -0.00047523
0.00837674 0.00569727 -0.00508124
16.14350894 -9.98837190 -13.27813550
0.00036420 -0.00038975 -0.00000528
0.04189844 -0.00010285 -0.01770262
17.02684483 -9.96524723 -16.05066363
-0.00006118 -0.00076424 0.00060762
0.01224639 0.00179577 0.00367024
-0.51766449 2.22856287 -8.04937538
0.00064322 -0.00029025 -0.00006297
-0.00199445 0.00097780 0.00810218
-2.23432512 0.03061964 -7.41865698
0.00000679 -0.00011163 0.00154557
-0.00532741 0.01740156 0.00109552
-5.64548370 -3.59323149 -16.70748682
0.00071768 -0.00105510 0.00007663
0.01923794 0.00344511 0.01356766
-3.51125529 -1.66480656 -16.63202707
-0.00082698 0.00059051 0.00004913
-0.00179972 -0.00216692 -0.00139957
12.75671427 18.91912115 -20.71271851
-0.00087015 -0.00004800 0.00075595
-0.00298795 -0.02228404 0.00350616
11.95694209 16.14542838 -20.09564693
-0.00000470 0.00044911 -0.00007500
-0.02027744 -0.00939673 -0.00646930
-15.27962946 15.65793409 -13.70068054
0.00077637 0.00009043 -0.00145950
-0.01472963 -0.00127373 0.01680615
-17.81146842 15.08915881 -12.22094955
0.00056048 -0.00014016 0.00069597
0.03024975 0.01213646 -0.00720240
2.72499014 14.96434289 6.00784535
-0.00047097 -0.00017118 -0.00081044
-0.00644571 0.01629961 -0.00496327
0.65411856 15.71774748 8.27144492
-0.00065150 0.00083988 0.00003427
0.00225312 0.00719762 -0.01523590
-6.04031530 -8.25545284 1.14075071
0.00115261 -0.00061610 0.00089585
0.00548198 -0.02144139 0.02352879
-3.54850757 -9.58883766 1.67177230
0.00002411 -0.00105389 0.00012462
0.00388187 -0.00653020 0.00465846
2.33796652 -4.65906266 2.91602859
0.00098681 -0.00124828 0.00003183
0.03826283 -0.04292612 -0.01307268
4.48573140 -6.51196599 1.37113367
0.00000138 -0.00075632 0.00024429
0.00075387 0.01135090 0.00197427
9.16345184 5.74099836 4.18692099
0.00018028 -0.00007146 -0.00077049
0.03078018 -0.00901950 -0.00475625
12.08449592 6.26056541 4.74411768
-0.00014051 0.00039075 -0.00001100
0.00543838 0.00359566 -0.00064050
-7.33202498 -11.04213391 -2.45746229
-0.00037389 0.00130408 -0.00097863
-0.01475645 0.00467103 0.00899795
-9.76868800 -9.27170889 -1.44820206
0.00031959 0.00034612 -0.00039917
0.01455030 -0.01523724 -0.00516615
4.51137775 -16.56622141 -14.17284982
0.00071639 -0.00004740 -0.00039681
0.01522335 0.00108231 -0.02084721
3.63777907 -16.94612784 -11.63212352
0.00182769 -0.00124368 0.00011415
-0.02626871 0.02024963 -0.02116065
5.76573721 -6.89918394 -5.95531118
-0.00064469 -0.00045811 0.00037712
0.00204985 0.00195154 -0.01549102
5.01334538 -8.20661356 -3.70371552
0.00020948 0.00074976 0.00102449
-0.00836401 -0.01648723 -0.01486609
16.77348777 1.44468213 24.62589700
0.00001131 0.00080193 0.00042349
0.01300014 0.01484600 -0.00218963
19.85039742 2.28877530 24.73484579
-0.00019401 0.00017884 -0.00124256
-0.01437137 0.00545662 0.00316639
-9.76610866 3.56949523 2.33832837
0.00022031 0.00162203 -0.00005644
-0.00552696 0.00056350 0.00223281
-7.56373701 4.73610698 0.84886015
0.00045634 -0.00073503 0.00044948
-0.00148106 -0.01067279 0.00414092
-6.44192841 14.34997694 -9.21992263
-0.00030414 -0.00078371 -0.00012228
0.01168461 0.00386611 0.00994877
-9.29299272 13.75498298 -9.43958262
0.00073754 -0.00017309 -0.00011377
0.02996575 0.00763610 -0.02166872
0.17257635 10.89721113 -8.07486494
0.00068738 0.00013271 0.00114909
0.01212475 0.00208631 0.00279074
2.61167728 12.54499666 -7.82228955
-0.00039000 -0.00131244 0.00011694
-0.00404085 -0.00863079 -0.00064771
-10.20241453 8.96211555 -13.76502890
0.00049406 0.00035180 -0.00026377
-0.02582965 0.01606199 0.00394056
-12.67527074 9.92806935 -12.14780531
0.00006468 0.00019570 -0.00093300
0.02536924 -0.00392871 -0.04045463
7.23553623 6.16877757 15.21371470
0.00030229 0.00001039 -0.00140206
-0.00159750 -0.01695061 -0.02920615
7.17647009 4.14812586 12.88386199
0.00018007 0.00088894 -0.00019442
0.00936812 0.01281598 -0.00429450
-13.84061770 10.72239133 -8.44930655
0.00036008 -0.00112828 -0.00070094
-0.00350050 -0.00341609 0.00506744
-16.31775752 9.95023230 -9.88826993
0.00049962 -0.00001206 -0.00037593
0.02157572 -0.01768082 0.01715155
8.50287241 9.82874120 -2.20969659
-0.00088278 -0.00016485 -0.00099783
-0.00266442 0.01782565 0.00490141
7.32400117 8.46323706 -4.43937799
0.00024754 0.00007991 -0.00193077
-0.01625762 0.01209311 -0.00803738
12.06117556 -20.26960713 -26.62034538
-0.00029767 0.00055947 0.00047618
0.02250315 -0.00162639 0.01625552
13.60222572 -19.85964833 -24.00745871
0.00052982 -0.00094651 -0.00034804
-0.00333291 -0.00761485 -0.01048331
5.66629491 4.69753686 2.70121238
0.00029716 -0.00007020 -0.00076402
0.01847065 0.04509327 -0.01830637
6.33911806 7.29772240 0.94818277
0.00019644 0.00030380 -0.00013169
0.00161446 -0.00733760 -0.02199993
20.56161278 -6.52057959 -5.67123645
-0.00030771 0.00034259 -0.00037494
-0.02740778 0.01242805 -0.01474845
17.84015964 -5.29555811 -5.41997439
-0.00078449 0.00002014 0.00031514
-0.01149779 0.00943238 0.01140317
-2.78028271 0.28620453 -1.27065972
0.00086925 0.00068229 0.00061542
-0.01889342 0.00227947 0.03989460
-2.48500608 0.99413858 -3.95549194
-0.00034421 -0.00041673 0.00039952
0.01245840 0.00146352 -0.01308898
3.51045897 -3.22632759 -12.14373792
-0.00031276 0.00080787 -0.00022226
0.02432253 -0.03202180 0.00214441
0.59954282 -2.43985662 -11.48052719
0.00033786 -0.00047149 -0.00040922
0.03751543 0.00057904 -0.01273465
19.53949420 8.29278037 -6.66693531
-0.00149936 0.00053771 0.00036211
0.02454822 0.02170112 0.03193763
21.95521343 8.57412604 -4.72854232
0.00026408 -0.00016447 -0.00004422
-0.01352387 0.00564221 -0.00729413
-7.49857020 4.67935892 8.89641068
0.00045172 -0.00011868 0.00006338
0.00314478 -0.00217361 0.00429648
-7.53395210 6.23817191 11.33479280
-0.00064521 -0.00005441 0.00109870
-0.00206366 0.00552337 -0.02903683
-3.07561196 -16.37763102 11.47024652
-0.00064347 -0.00001308 -0.00094217
-0.00292373 0.00970017 -0.00129351
-4.15450852 -13.58071066 11.71849776
-0.00011202 -0.00044240 -0.00036588
0.00793353 -0.01809646 -0.00574084
8.40650856 0.51799938 -3.08064587
0.00055327 0.00042509 0.00012683
-0.00596882 -0.00969193 -0.04067590
7.79823910 2.06148502 -5.59026545
0.00010803 0.00048400 -0.00081437
-0.00264273 -0.00396396 -0.00665670
1.24307252 -10.66285728 1.58759323
-0.00007812 -0.00013401 0.00019612
-0.01089086 -0.00307482 0.00818611
0.13492838 -8.33901142 0.29349180
-0.00028196 -0.00054379 0.00054089
0.00220397 0.00120535 -0.00838898
-20.08423689 -1.32898102 6.60564693
-0.00057157 -0.00015600 -0.00032148
0.00371108 -0.00909816 0.01760542
-21.10263161 0.15665854 4.42607465
-0.00106273 0.00078467 0.00020400
-0.01530590 0.02481938 -0.01129820
-3.82536927 8.41963305 -24.95334293
-0.00054134 -0.00052824 -0.00064477
0.02472448 0.00417595 -0.05045414
-4.44046494 9.04606458 -22.52567168
-0.00036492 -0.00001412 0.00094351
-0.00371614 0.00390466 0.02937608
3.82381530 0.96709795 -0.91484499
0.00058775 0.00028928 0.00003698
-0.00892373 0.02910141 -0.00250333
1.21818514 1.24982825 -1.96169439
0.00055437 -0.00163716 0.00089010
-0.00944536 0.01753950 0.00249347
15.94087127 7.50303907 6.46287213
-0.00047790 0.00045437 0.00058879
-0.00171556 0.00865796 -0.01963876
15.84949152 9.20003622 3.82573859
0.00018775 -0.00034998 0.00012594
-0.00641968 -0.04560612 0.02664714
-0.34234177 -11.81697059 -13.27724967
0.00007288 -0.00000868 0.00023473
0.01067088 -0.00158301 -0.00189649
-13.93869248 14.49187990 22.18168919
-0.00001648 -0.00012103 0.00014859
-0.00101998 -0.00277368 0.00025227
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02861600
0.32425429
432.05258282
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.2659638988 (a.u.)
total exchange computation time: 2.7920808792 s
-153.7344480377
-931.35828520
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.2666617115 (a.u.)
total exchange computation time: 2.7917389870 s
-153.7300354228
Anderson extrapolation: theta=1.3443582910 (1.3443582910)
-931.35852338
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.2675785544 (a.u.)
total exchange computation time: 2.7922677994 s
-153.7242978281
Anderson extrapolation: theta=0.0502300179 (0.0502300179)
-931.35866438
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.2675977140 (a.u.)
total exchange computation time: 2.7930049896 s
-153.7242549532
Anderson extrapolation: theta=1.8982941927 (1.8982941927)
-931.35866944
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2676151456 (a.u.)
total exchange computation time: 2.7894070148 s
-153.7242351166
Anderson extrapolation: theta=0.2186312670 (0.2186312670)
-931.35867474
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.2676094817 (a.u.)
total exchange computation time: 2.7917509079 s
-153.7242210261
Anderson extrapolation: theta=1.8784129944 (1.8784129944)
-931.35867575
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2676041525 (a.u.)
total exchange computation time: 2.7911450863 s
-153.7240860467
Anderson extrapolation: theta=0.2906297439 (0.2906297439)
-931.35867702
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.2676087585 (a.u.)
total exchange computation time: 2.7888131142 s
-153.7239484618
Anderson extrapolation: theta=1.3059117041 (1.3059117041)
-931.35867732
-209.027113 50.215323 -159.792617
-133.663281 460.272399 -799.833235
-342.690394 510.487722 -959.625852
1139.700047
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0571947674
ExchangeOperator: pair fraction: ispin=0: 0.1387777177
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2676189737 (a.u.)
total exchange computation time: 2.7959129810 s
677.38747423
-1080.46266605
89.86649609
-391.32897922
-174.55338363
76.45237583
551.60419304
0.00000000
-931.35867755
-10.92805269 -4.25807719 6.70532263
0.00003272 -0.00008388 -0.00012904
-0.00493167 0.00900412 -0.03561722
-14.01898727 3.58207133 9.33755354
0.00036022 0.00015288 -0.00029205
0.00576343 0.01363519 -0.00442047
-15.94273080 1.37554916 3.43764521
0.00004533 0.00014076 -0.00017232
-0.03177617 -0.01570340 0.01450895
2.54081648 -19.83548738 12.79962375
0.00025975 0.00000316 0.00010384
0.01978718 0.02308874 0.05099040
9.62710919 20.37669797 1.10889494
-0.00012040 -0.00006091 0.00041906
-0.01371905 -0.01589516 -0.00551752
-12.05199456 12.56530634 15.15848569
-0.00028246 0.00000507 0.00014897
0.01992782 0.01140644 0.01140488
-6.24856296 1.45388257 -12.33500411
0.00013597 -0.00001356 -0.00038026
0.00706554 0.03116442 -0.04162611
-7.40896736 7.79096854 -5.96108142
-0.00011478 -0.00006769 -0.00018006
-0.00485254 -0.02163181 0.00746429
-7.72311956 -4.34268822 17.79323480
-0.00016916 0.00007147 0.00003449
-0.01110869 -0.01770177 0.04230150
-23.52631249 -5.06899555 -22.61979537
-0.00014316 -0.00022627 -0.00019818
-0.00286232 -0.03016970 0.02065651
6.61896540 12.76663473 6.04896669
-0.00017431 0.00004350 -0.00004784
0.00971449 -0.00827935 0.01075493
24.73660147 30.46474441 -2.93321635
0.00013629 0.00028179 -0.00018204
-0.00841239 0.02032222 0.01152299
7.91559343 -1.11956803 -14.52960565
0.00000837 0.00041751 -0.00009931
0.00844223 0.00488923 -0.01461484
-7.30679161 -0.92661171 14.37567065
-0.00012410 0.00004327 -0.00030966
-0.02088415 -0.00295065 -0.01380090
-1.78425990 -26.22306333 11.30268615
0.00025197 0.00007808 -0.00008813
-0.02494477 0.01167283 -0.03520594
-14.08188960 -4.51790265 -7.01108239
0.00020896 0.00025374 0.00009529
-0.00902743 0.00711559 0.00605252
-20.01124618 -12.61487105 -17.74780871
-0.00003639 -0.00016779 0.00021829
0.01814841 0.03740207 0.01674271
22.75260382 3.58811485 3.00230042
0.00004540 -0.00022421 -0.00000817
-0.01244708 -0.01429692 0.01353049
17.74627981 -10.23213123 -14.36924452
-0.00028455 -0.00029944 -0.00008872
-0.04882072 0.00500167 0.02035549
-2.03279705 1.83599210 -7.03235033
0.00023003 -0.00024993 0.00010596
0.00349951 -0.01160462 -0.02344026
-4.22838031 -3.03781189 -15.61989377
-0.00030564 0.00002418 -0.00007181
-0.01386142 0.00359555 -0.01571015
13.35612629 17.26858366 -20.03910317
0.00011563 0.00011695 0.00036575
0.02893978 0.03015178 -0.00190451
-16.17865543 16.07698914 -12.10692813
0.00038557 0.00011309 0.00013497
-0.00727324 -0.00927634 -0.00776247
1.83712541 14.53466309 7.53386905
0.00070043 0.00030248 0.00000313
-0.01542214 -0.02052049 0.02755853
-5.32353888 -9.65400179 2.20491269
-0.00027765 -0.00001247 0.00014167
0.00206185 0.01695095 -0.01930050
3.09426090 -6.44745416 2.58337783
-0.00009530 -0.00006981 0.00026521
-0.02685478 0.03282427 0.01769561
10.87552516 4.91397326 4.44632130
-0.00003749 0.00015479 -0.00018259
-0.03553889 0.01422899 0.00987892
-8.52332913 -9.67090977 -2.77965001
0.00007915 0.00006286 -0.00030255
-0.01156236 0.01823938 -0.00892771
3.14181133 -15.95146642 -13.19752136
-0.00016735 0.00021585 0.00011243
0.01335685 -0.02399930 0.04218912
4.81281794 -8.42115039 -5.55005395
-0.00007809 0.00021063 0.00027242
0.00188907 0.01318651 0.03930898
18.55422699 0.95612441 24.70467998
0.00001991 0.00018783 -0.00018425
-0.00358997 -0.02181733 0.00177301
-8.42422642 3.11473789 1.13860385
-0.00049160 -0.00005866 0.00017002
0.01907208 0.00740363 -0.01218194
-7.72189416 14.22317379 -10.46682336
0.00032243 0.00000783 0.00038741
-0.04405170 -0.01374657 0.00496432
1.71099637 11.40181452 -8.97496316
0.00009696 0.00015727 -0.00004852
-0.01238257 0.00154277 -0.00575623
-11.73393043 10.07849953 -13.86984537
0.00019124 0.00017999 0.00004834
0.00026879 -0.01713924 0.03644106
7.02634438 4.40124337 14.69287226
-0.00048535 0.00024688 0.00016559
-0.00129619 -0.00392137 0.02088936
-14.74548459 9.21898724 -9.11763179
-0.00034864 -0.00016833 0.00039304
-0.02464960 0.01379110 -0.02547478
8.49481073 8.27012132 -3.10078670
0.00006470 -0.00019722 0.00017435
0.01023285 -0.02427754 -0.00298300
13.75004142 -20.43660870 -25.81515298
0.00016131 -0.00008200 -0.00019316
-0.02357855 0.00761308 -0.00853679
6.27988405 6.58854751 2.58787889
-0.00022823 0.00023923 -0.00010733
-0.02024872 -0.04373131 0.03779559
19.10714128 -5.77135698 -6.62073763
-0.00017526 -0.00008143 -0.00026943
0.02546051 -0.01933305 0.01412467
-1.68731330 0.00427499 -2.63244188
0.00006395 -0.00016435 -0.00032629
0.01245792 -0.01072131 -0.00635336
2.37094540 -1.87719638 -12.19705160
-0.00010087 0.00006548 0.00040475
-0.05601145 0.03396965 0.00245822
20.31316313 9.36915229 -5.27284859
-0.00064372 -0.00001785 -0.00019380
-0.00259505 -0.02538657 -0.02855659
-7.50801648 6.43926993 9.45493598
-0.00017611 -0.00010300 -0.00000328
-0.01067118 -0.00521536 0.03874950
-2.62046970 -14.59354038 11.48093820
0.00026077 0.00012936 -0.00016879
-0.00712643 0.00363925 0.01097043
8.12307617 0.32048855 -4.96557614
-0.00000119 -0.00037696 0.00014409
0.00689789 0.01367115 0.04756201
-0.08586139 -10.15402437 0.40431340
-0.00018092 -0.00023838 -0.00031092
0.00398455 -0.00834275 0.00060876
-20.15896842 -1.31769565 4.77312742
-0.00011684 0.00021108 0.00008210
0.00865002 -0.01155494 -0.00978790
-4.61724736 7.61689959 -23.60015335
0.00023041 0.00018500 -0.00026124
-0.02246143 -0.00922556 0.03598939
2.56572649 2.33921158 -1.20163042
0.00001909 -0.00013841 0.00037863
0.02315380 -0.04596426 -0.00656367
15.52119592 7.44994604 4.63480983
-0.00005308 -0.00023523 -0.00028061
0.00693440 0.04142072 -0.00778478
-9.47211495 -4.68083076 7.61228930
-0.00041749 0.00015395 0.00112466
0.02270013 -0.00968158 0.02495008
-10.22132072 -3.78453591 5.02030321
0.00045836 -0.00059127 0.00000803
-0.00765854 -0.01318598 0.01355420
-12.82587776 4.77895315 8.57064217
-0.00001162 0.00008038 -0.00032069
-0.00843697 -0.01367859 0.00635181
-13.65236281 1.90383107 8.62327454
-0.00091608 0.00035348 0.00014781
0.00073777 0.00480921 -0.00161820
-15.29877507 1.91832863 5.06402030
-0.00041493 0.00134878 0.00083361
0.00701705 -0.00491490 -0.00138521
-17.33308251 0.11549429 4.06171961
-0.00067469 0.00043066 -0.00018197
0.02054439 0.02447970 -0.01564039
3.10485506 -21.20357668 11.78462360
0.00064468 -0.00053527 -0.00006375
0.00019759 -0.02361709 -0.01429214
3.66778436 -19.82412867 14.35703273
0.00000794 0.00095276 -0.00061747
-0.02213811 0.00406045 -0.03619919
8.59910540 18.82606513 1.17709822
0.00077738 -0.00069016 -0.00009268
0.01322879 0.00328568 -0.00823432
8.50628112 21.54152836 1.94763900
0.00034093 0.00088847 0.00028948
-0.00233356 0.01766184 0.00866878
-11.00304429 11.70847382 16.45651173
-0.00060507 -0.00073684 0.00043938
-0.01167785 0.02167590 -0.00869252
-12.59398823 14.24371886 15.79222206
0.00003930 -0.00020415 -0.00018274
0.00713059 -0.01612455 -0.00300145
-5.30176222 0.20226367 -13.20803571
0.00079968 -0.00047843 -0.00014077
0.00539637 -0.00882699 -0.01115896
-6.70669694 0.68580907 -10.82772464
0.00013659 -0.00074648 0.00000687
-0.01458108 -0.02107499 0.05281352
-6.80674830 6.30778975 -4.97043876
-0.00004644 -0.00033033 -0.00006431
-0.01093378 0.02105200 -0.01244550
-9.16505455 7.97308919 -5.42231138
0.00038602 0.00034906 -0.00005356
0.01123302 -0.00438882 -0.00245472
-8.39648027 -3.18711484 19.14400138
0.00088644 0.00038503 -0.00035278
0.01432240 -0.02222186 -0.02656122
-7.87542669 -6.09318376 18.51288252
-0.00055256 0.00006055 -0.00024660
-0.00279786 0.02490386 -0.00747340
-23.31967699 -3.49266393 -23.40844768
-0.00063418 -0.00061143 -0.00054859
0.00045291 0.02978352 -0.01474151
-23.01705038 -4.86680742 -20.87097780
0.00018530 -0.00109994 -0.00000954
-0.00656577 0.00446612 -0.00936774
6.71215040 13.29366598 4.31289971
0.00081119 -0.00031470 0.00031869
0.01109481 -0.00094883 -0.00578894
8.18314919 11.81827433 6.52383406
0.00072599 0.00013093 -0.00000679
-0.01420646 0.00818284 -0.01018074
24.84525335 28.77274598 -2.27277113
0.00043302 -0.00035226 0.00009100
-0.00376307 0.00027370 0.00574666
24.02694894 31.65585171 -1.63232524
0.00039325 -0.00011675 -0.00001569
0.00760677 -0.02162906 -0.01734029
9.37902506 -2.22936254 -15.02704509
-0.00060720 0.00031123 -0.00081420
-0.00879804 0.00547369 0.00085770
7.97636427 -1.40275798 -12.77667400
0.00039684 -0.00188445 -0.00087128
-0.00900213 -0.00707948 0.02700342
-7.56859149 -0.05341598 16.03716932
-0.00113510 -0.00006435 0.00043292
-0.00091963 -0.01745924 -0.02084302
-8.68591013 -2.18062313 14.02532588
-0.00061988 0.00058833 0.00105437
0.02659702 0.02536881 0.02091671
-2.65440751 -26.64459700 12.85623818
0.00031730 0.00000455 -0.00055522
0.00562254 -0.00693721 0.02030585
-3.21268626 -25.89342415 10.12380112
0.00016541 -0.00007652 0.00026349
0.02315730 -0.00390327 0.00434963
-14.57599914 -2.87778407 -6.24196558
-0.00087444 -0.00003282 0.00014296
0.01084463 -0.00958406 -0.00786458
-14.81100747 -4.61309757 -8.68729215
0.00059292 -0.00034495 -0.00006131
-0.00040999 -0.00026096 -0.00428795
-19.24893404 -11.09746499 -16.80460371
-0.00008451 -0.00035702 -0.00074422
-0.01079085 -0.03904496 -0.02164200
-18.51303502 -13.56214309 -18.28958166
0.00093100 0.00137965 0.00074969
-0.00084454 0.00085401 0.00532526
23.90004816 3.29783866 1.57173237
0.00135437 0.00120433 0.00066230
-0.00216338 0.01119353 -0.00436623
22.86687042 5.14695383 3.91031955
0.00030559 -0.00014568 -0.00049264
0.00778494 0.00684934 -0.00344069
16.15025577 -9.99422132 -13.27875719
0.00053086 -0.00038933 -0.00007495
0.03968595 0.00031115 -0.01639935
17.02630239 -9.97665573 -16.04143693
-0.00001569 -0.00075500 0.00061210
0.01002303 0.00272274 -0.00147491
-0.50807724 2.22423911 -8.05007167
0.00063029 -0.00028858 -0.00002738
-0.00433489 -0.00016333 0.00931859
-2.23438652 0.02947838 -7.39543983
-0.00001441 -0.00004589 0.00154739
-0.00505182 0.01478128 -0.00020368
-5.63412896 -3.60895244 -16.70592159
0.00079011 -0.00104258 0.00012757
0.01621399 0.00268155 0.01136790
-3.52371511 -1.65601536 -16.63133306
-0.00083526 0.00057955 0.00004433
-0.00225518 -0.00319653 -0.00094924
12.74357053 18.91771836 -20.70127187
-0.00088068 -0.00013700 0.00076973
-0.00217025 -0.02128625 0.00323928
11.95625026 16.15187709 -20.09697013
-0.00008755 0.00040829 -0.00010085
-0.02028053 -0.01058364 -0.00618787
-15.26843526 15.65925155 -13.72205805
0.00070646 0.00008840 -0.00137486
-0.01948989 0.00028107 0.02462530
-17.80213422 15.08742824 -12.21073075
0.00068312 -0.00009070 0.00066535
0.02978334 0.01207469 -0.00778651
2.71772804 14.96227464 5.99553666
-0.00049718 -0.00010452 -0.00083093
-0.00638184 0.01633011 -0.00506884
0.64441513 15.73056624 8.27149203
-0.00063026 0.00085663 -0.00003535
0.00814316 0.00100210 -0.01884296
-6.02285811 -8.26535140 1.15490951
0.00116688 -0.00069022 0.00098163
0.00149959 -0.01484101 0.01845978
-3.54802694 -9.60484614 1.67378437
0.00003654 -0.00108062 0.00014479
0.00220234 -0.00655197 0.00521297
2.35394118 -4.67910219 2.91610543
0.00113671 -0.00141009 -0.00001972
0.03511124 -0.03628273 -0.01215909
4.48577522 -6.52296299 1.37485848
0.00000357 -0.00070992 0.00025345
0.00031531 0.01136472 0.00251050
9.16709925 5.73965004 4.17521790
0.00030326 -0.00010697 -0.00078976
0.02941689 -0.00836226 -0.00467624
12.08255497 6.26653690 4.74393307
-0.00011969 0.00040381 -0.00001388
0.00475263 0.00279728 -0.00077024
-7.33808555 -11.02242958 -2.47186595
-0.00042088 0.00130802 -0.00093744
-0.00824298 -0.00274179 0.01116269
-9.76344829 -9.26698396 -1.45434791
0.00037782 0.00028388 -0.00041839
0.01395293 -0.01523093 -0.00424215
4.52259011 -16.56689922 -14.17944076
0.00076392 -0.00003583 -0.00047318
0.00804309 0.00457876 -0.01653622
3.66438943 -16.96416257 -11.63105975
0.00171428 -0.00115367 0.00001946
-0.02924322 0.02381343 -0.02518787
5.75612974 -6.90599583 -5.95012901
-0.00062996 -0.00044009 0.00031030
0.00516008 0.00687309 -0.01721982
5.01623124 -8.19587239 -3.68880375
0.00017434 0.00068090 0.00095367
-0.00883554 -0.01722117 -0.01979960
16.77405585 1.45716598 24.63218218
0.00006560 0.00086078 0.00041418
0.01357361 0.01396180 -0.00236746
19.84704684 2.29162512 24.71630441
-0.00025077 0.00020214 -0.00122881
-0.01340922 0.00594753 0.00356483
-9.76297339 3.59384294 2.33755012
0.00019418 0.00162262 -0.00004490
-0.00726190 -0.00027472 0.00341768
-7.55693731 4.72475453 0.85572924
0.00045225 -0.00077607 0.00046436
-0.00052212 -0.00942033 0.00314291
-6.44613252 14.33833978 -9.22145194
-0.00024526 -0.00076667 -0.00007163
0.01713991 0.00447253 0.01484505
-9.28101139 13.75262069 -9.44195324
0.00085433 -0.00014296 -0.00019921
0.02720512 0.00710943 -0.02015312
0.18325863 10.89926578 -8.05754312
0.00073599 0.00013977 0.00115772
0.01166834 0.00136505 0.00143684
2.60570344 12.52504558 -7.82055535
-0.00039733 -0.00133747 0.00012145
0.00045133 -0.00362317 0.00285572
-10.19579517 8.96788468 -13.76886466
0.00038732 0.00041751 -0.00024691
-0.02642111 0.01610477 0.00431260
-12.67352311 9.93088444 -12.16303993
0.00016621 0.00017893 -0.00109156
0.02433014 -0.00427984 -0.03716188
7.24002170 6.16841396 15.19178885
0.00029617 -0.00005038 -0.00151534
-0.00140274 -0.01279760 -0.02624367
7.17945816 4.16185261 12.88081410
0.00021774 0.00093854 -0.00020709
0.00907121 0.01146498 -0.00190628
-13.83532370 10.70536242 -8.45966535
0.00034971 -0.00113342 -0.00067654
-0.00157899 0.00090204 0.00687526
-16.30960201 9.94950964 -9.89338336
0.00058357 -0.00008247 -0.00030686
0.01951692 -0.01678671 0.01665851
8.48954908 9.82681473 -2.22451377
-0.00089320 -0.00008357 -0.00097253
-0.00243853 0.02196106 0.00748021
7.32721603 8.46480621 -4.46858579
0.00019860 0.00012554 -0.00194420
-0.00769569 0.01024338 0.00146375
12.05740007 -20.26126496 -26.61270460
-0.00020392 0.00055211 0.00054258
0.02338945 -0.00197412 0.01624787
13.61007087 -19.87407925 -24.01300057
0.00051595 -0.00097556 -0.00038625
-0.00345741 -0.00660949 -0.00822046
5.67131830 4.69786563 2.68919115
0.00037226 0.00011408 -0.00083751
0.01829045 0.04511506 -0.01766926
6.34211412 7.30205452 0.94553334
0.00020333 0.00027362 -0.00022025
0.00175730 -0.00743472 -0.02135252
20.55615729 -6.51505990 -5.67731248
-0.00041590 0.00039118 -0.00043262
-0.02555079 0.01135802 -0.01348535
17.82803993 -5.29496702 -5.41489787
-0.00082182 0.00005513 0.00035221
-0.00677450 0.00769885 0.00674079
-2.76782289 0.29650877 -1.26020586
0.00079759 0.00069011 0.00077194
-0.01618791 0.00154922 0.03672015
-2.48978747 0.98793246 -3.94990027
-0.00029601 -0.00040673 0.00034137
0.01113441 0.00343427 -0.01537199
3.50651294 -3.21519077 -12.14700615
-0.00020495 0.00066727 -0.00021346
0.02845027 -0.03680478 0.00216295
0.60576033 -2.44691126 -11.48705571
0.00048753 -0.00046886 -0.00045871
0.03575006 0.00071015 -0.01149283
19.51775607 8.30151104 -6.66052500
-0.00139895 0.00062297 0.00048898
0.02460092 0.02003431 0.03016720
21.95876023 8.57183187 -4.72942912
0.00020012 -0.00013840 -0.00007695
-0.01778741 0.00711912 -0.00872808
-7.49169806 4.67751214 8.89749307
0.00046444 -0.00012823 0.00008133
0.00308231 -0.00250210 0.00449069
-7.54369344 6.23752504 11.35038348
-0.00065316 -0.00003102 0.00096745
-0.00182902 0.00592438 -0.03520871
-3.08535354 -16.37753003 11.45607439
-0.00065226 0.00003081 -0.00094739
-0.00138293 0.01178511 -0.00126182
-4.15594578 -13.58790113 11.71283362
-0.00007957 -0.00051403 -0.00038923
0.00795277 -0.01697130 -0.00568758
8.41462470 0.52407871 -3.07998986
0.00052805 0.00038492 -0.00004000
-0.00637564 -0.00996980 -0.04098682
7.79977851 2.06862348 -5.60268505
0.00009926 0.00045572 -0.00083655
-0.00165021 -0.00987457 -0.00419715
1.24156695 -10.66496164 1.59078592
-0.00012640 -0.00014625 0.00022601
-0.01273973 -0.00291613 0.00644335
0.13076659 -8.34713126 0.30134803
-0.00027278 -0.00053309 0.00050531
0.00228770 0.00402925 -0.00902366
-20.09269667 -1.33159986 6.60136423
-0.00055592 -0.00019272 -0.00024471
0.00394916 -0.00887282 0.01997414
-21.11904155 0.16918913 4.42878841
-0.00111579 0.00087196 0.00016120
-0.01066849 0.01791218 -0.00965232
-3.83273167 8.41183738 -24.96456059
-0.00043843 -0.00050622 -0.00085133
0.02565013 0.00660393 -0.05065947
-4.44605260 9.04597244 -22.51061886
-0.00037968 -0.00000548 0.00105334
-0.00350777 0.00032566 0.02438878
3.83235808 0.97232893 -0.91436704
0.00055243 0.00040832 0.00002743
-0.00836688 0.02917111 -0.00216876
1.22621126 1.22580836 -1.94826651
0.00051655 -0.00156164 0.00090054
-0.00906688 0.01942447 0.00261698
15.93365018 7.51011992 6.47110222
-0.00048680 0.00048791 0.00049980
-0.00264151 0.00776172 -0.02392447
15.85211101 9.19338908 3.82844429
0.00016124 -0.00053352 0.00023234
-0.00655585 -0.04423791 0.02543669
-0.34121994 -11.81710500 -13.27373378
0.00007672 -0.00000922 0.00023406
0.01078214 -0.00143472 -0.00184800
-13.93894151 14.49005967 22.18391855
-0.00001673 -0.00012166 0.00014866
-0.00111712 -0.00266139 0.00032591
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02864270
0.33003486
439.75490027
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1382585181
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.2698138766 (a.u.)
total exchange computation time: 2.6777319908 s
-153.7622437497
-931.36424768
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1382585181
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2705509216 (a.u.)
total exchange computation time: 2.6767270565 s
-153.7574727821
Anderson extrapolation: theta=1.3465151392 (1.3465151392)
-931.36447950
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1382585181
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.2715218953 (a.u.)
total exchange computation time: 2.6775438786 s
-153.7512640409
Anderson extrapolation: theta=0.0511025418 (0.0511025418)
-931.36461710
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1382585181
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2715445802 (a.u.)
total exchange computation time: 2.6774260998 s
-153.7512072429
Anderson extrapolation: theta=1.9302733043 (1.9302733043)
-931.36462218
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1382585181
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.2715697734 (a.u.)
total exchange computation time: 2.6781001091 s
-153.7511638746
Anderson extrapolation: theta=0.2230698368 (0.2230698368)
-931.36462767
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1382585181
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2715664403 (a.u.)
total exchange computation time: 2.6771070957 s
-153.7511461583
Anderson extrapolation: theta=1.8732250650 (1.8732250650)
-931.36462874
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1382585181
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.2715660739 (a.u.)
total exchange computation time: 2.6769988537 s
-153.7510029155
Anderson extrapolation: theta=0.2897051259 (0.2897051259)
-931.36463009
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1382585181
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2715725379 (a.u.)
total exchange computation time: 2.6775140762 s
-153.7508621147
Anderson extrapolation: theta=1.3063911840 (1.3063911840)
-931.36463041
-209.017015 50.158704 -159.788872
-133.625295 460.270953 -799.878179
-342.642309 510.429658 -959.667051
1139.694273
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0570494186
ExchangeOperator: pair fraction: ispin=0: 0.1382585181
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2715853226 (a.u.)
total exchange computation time: 2.6772079468 s
677.43232947
-1080.57790377
89.87097985
-391.25444449
-174.56400640
76.51626071
551.60419304
0.00000000
-931.36463065
-10.92758087 -4.25930065 6.70324965
0.00003053 -0.00007952 -0.00014669
-0.00360044 0.00796279 -0.03300852
-14.01356181 3.58441715 9.33315572
0.00036242 0.00016063 -0.00029357
0.00282033 0.01648079 -0.00147763
-15.94217347 1.37759992 3.43511643
0.00002953 0.00013335 -0.00016308
-0.02965492 -0.01308052 0.02140181
2.54478904 -19.83535097 12.80137797
0.00026975 0.00001404 0.00012823
0.01911650 0.01921511 0.04388189
9.62525027 20.37572305 1.11515950
-0.00012730 -0.00006871 0.00041631
-0.01310035 -0.01445966 -0.00517487
-12.05615458 12.56542639 15.16076431
-0.00027175 0.00000988 0.00015487
0.02173046 0.00729866 0.01153867
-6.24649619 1.45379931 -12.34086860
0.00013978 0.00000073 -0.00040061
0.00774406 0.02443758 -0.03748744
-7.41070784 7.78986971 -5.96375355
-0.00011639 -0.00007920 -0.00017629
-0.00139006 -0.02310638 0.00718300
-7.72569983 -4.34168442 17.79391527
-0.00017446 0.00006209 0.00005546
-0.00948186 -0.01876563 0.03924799
-23.52847099 -5.07250591 -22.62268833
-0.00014465 -0.00024238 -0.00018717
-0.00291941 -0.03249800 0.02214670
6.61638816 12.76725524 6.04829056
-0.00016824 0.00003844 -0.00004145
0.01388953 -0.01137216 0.01409843
24.73861337 30.46904969 -2.93590254
0.00013213 0.00029063 -0.00017588
-0.00776639 0.01405717 0.01243184
7.91575160 -1.11328658 -14.53115171
0.00001252 0.00042018 -0.00010734
0.00770225 0.00552180 -0.01658798
-7.30873364 -0.92597410 14.37097254
-0.00013508 0.00004244 -0.00031534
-0.02182821 -0.00025245 -0.00827600
-1.78057664 -26.22184715 11.30122834
0.00023953 0.00008406 -0.00010660
-0.02339859 0.01158195 -0.03659567
-14.07879008 -4.51406912 -7.00962965
0.00020430 0.00025735 0.00009837
-0.00907799 0.00692886 0.00590200
-20.01172196 -12.61724358 -17.74446970
-0.00002714 -0.00014894 0.00022651
0.01778883 0.03587826 0.01520261
22.75323677 3.58469648 3.00223007
0.00003947 -0.00023146 -0.00000167
-0.01060540 -0.01389121 0.01173967
17.74182330 -10.23660351 -14.37049687
-0.00030825 -0.00029721 -0.00007736
-0.04337117 0.00365830 0.02384470
-2.02933312 1.83219837 -7.03085133
0.00023231 -0.00025484 0.00009387
0.00536213 -0.00749957 -0.02359336
-4.23301833 -3.03743529 -15.62103155
-0.00031174 0.00002654 -0.00007935
-0.00986320 0.00557732 -0.01359350
13.35797230 17.27045425 -20.03362424
0.00013013 0.00013226 0.00036470
0.02744801 0.02936723 -0.00216808
-16.17289992 16.07864970 -12.10493359
0.00038317 0.00010814 0.00012937
-0.00205586 -0.00997043 -0.01398066
1.84757231 14.53912119 7.53402228
0.00069107 0.00029336 0.00001811
-0.02095215 -0.01495013 0.03068924
-5.32769572 -9.65412340 2.20696334
-0.00027497 -0.00000573 0.00013307
0.00838161 0.00924477 -0.01414444
3.09272778 -6.44837464 2.58742424
-0.00010803 -0.00005508 0.00027370
-0.02264463 0.02444820 0.01532447
10.87482578 4.91634995 4.44362059
-0.00005510 0.00016223 -0.00017740
-0.03296118 0.01470396 0.01030059
-8.52218646 -9.66989653 -2.78422270
0.00007164 0.00007423 -0.00030796
-0.01762862 0.02597427 -0.01209901
3.13935254 -15.94832123 -13.19567218
-0.00015801 0.00020188 0.00013377
0.02298517 -0.03032032 0.04079032
4.81165391 -8.41794012 -5.54581607
-0.00007780 0.00021627 0.00029414
-0.00076682 0.00873785 0.04518330
18.55451174 0.95885771 24.70192302
0.00001765 0.00017672 -0.00018341
-0.00516688 -0.02138322 0.00150494
-8.43152682 3.11388652 1.14110712
-0.00048164 -0.00005513 0.00016368
0.01964107 0.00633317 -0.01246094
-7.71722768 14.22323825 -10.46099304
0.00029942 0.00000086 0.00038833
-0.04543182 -0.01334927 -0.00139485
1.71240297 11.40417946 -8.97571319
0.00008948 0.00015695 -0.00005215
-0.01667832 -0.00278640 -0.00834909
-11.73106072 10.08113328 -13.86897973
0.00019184 0.00017138 0.00006584
0.00205154 -0.01632965 0.03161776
7.01905918 4.40493145 14.69543662
-0.00048592 0.00024392 0.00017490
-0.00094002 -0.00759583 0.01531943
-14.75080920 9.21651554 -9.11183444
-0.00036119 -0.00016264 0.00037976
-0.02417596 0.00830893 -0.02616292
8.49582064 8.26706945 -3.09818302
0.00006790 -0.00021007 0.00016992
0.00221162 -0.02572738 -0.01422278
13.75237018 -20.43780941 -25.81808332
0.00014911 -0.00007823 -0.00019809
-0.02388027 0.00706712 -0.01062278
6.27638252 6.59196731 2.58641474
-0.00023847 0.00021705 -0.00008847
-0.01958787 -0.04254414 0.03555087
19.10461061 -5.77265298 -6.62472456
-0.00016408 -0.00009054 -0.00026140
0.01802041 -0.01611912 0.01708563
-1.68630595 0.00176846 -2.63736074
0.00006980 -0.00017017 -0.00032769
0.01029434 -0.01190996 0.00091056
2.36921634 -1.87608308 -12.19097092
-0.00012969 0.00008386 0.00040575
-0.05607866 0.03748327 0.00144392
20.30349738 9.36878665 -5.27586569
-0.00064382 -0.00003066 -0.00020751
0.00218004 -0.02442335 -0.02478734
-7.51069926 6.43770484 9.45503626
-0.00018162 -0.00010567 0.00001787
-0.01076812 -0.00516080 0.04349502
-2.61658564 -14.59158600 11.47844872
0.00025679 0.00013036 -0.00016321
-0.00836869 0.00027187 0.01072292
8.12308485 0.31488693 -4.96323126
0.00000214 -0.00036836 0.00016774
0.00606437 0.01976601 0.04439114
-0.08855985 -10.15763220 0.39965193
-0.00017845 -0.00024341 -0.00030998
0.00564143 -0.01123281 0.00303301
-20.16068762 -1.31457407 4.77432120
-0.00011359 0.00020700 0.00007613
0.00398032 -0.00428079 -0.01343679
-4.61387781 7.61963905 -23.60393307
0.00021879 0.00018081 -0.00024170
-0.02275157 -0.00707556 0.03999345
2.56610209 2.33695820 -1.19597625
0.00003070 -0.00016226 0.00037496
0.02202594 -0.04681336 -0.00773146
15.52042650 7.44657744 4.63057063
-0.00004935 -0.00021431 -0.00028318
0.00756834 0.03989848 -0.00222180
-9.47768173 -4.67881826 7.62992369
-0.00032954 0.00011641 0.00122289
0.02035379 -0.00869253 0.02313679
-10.21467994 -3.79380899 5.02083899
0.00042864 -0.00064471 0.00006263
-0.00689321 -0.01297595 0.01317292
-12.82631053 4.77973965 8.56602643
-0.00004293 0.00002603 -0.00029702
-0.00689189 -0.01292607 0.00523820
-13.66608139 1.90928061 8.62544207
-0.00091006 0.00036554 0.00013788
0.00220997 0.00109569 -0.00324358
-15.30478402 1.93840974 5.07648199
-0.00039243 0.00132302 0.00081344
0.00399831 -0.00769744 -0.00848636
-17.34257332 0.12270428 4.05851077
-0.00058912 0.00053099 -0.00024563
0.02134521 0.02463264 -0.01552050
3.11453127 -21.21232947 11.78322935
0.00064145 -0.00062312 -0.00011522
-0.00177522 -0.01938361 -0.01090159
3.66722507 -19.80971282 14.34666146
-0.00007734 0.00096836 -0.00075768
-0.01960524 0.00357576 -0.03243609
8.61117141 18.81581347 1.17545565
0.00082893 -0.00067375 -0.00012484
0.01200672 0.00474588 -0.00750424
8.51132353 21.55539665 1.95224679
0.00033238 0.00095438 0.00032294
-0.00185247 0.01459966 0.00771153
-11.01247826 11.69808542 16.46283608
-0.00065499 -0.00064512 0.00040098
-0.01275529 0.02322024 -0.01010334
-12.59318029 14.24016254 15.78938898
0.00006681 -0.00026520 -0.00019252
0.00633693 -0.01376017 -0.00178590
-5.28960164 0.19481667 -13.21048924
0.00081650 -0.00050731 -0.00018204
0.00283864 -0.00530585 -0.00903973
-6.70509489 0.67396607 -10.82600328
0.00008047 -0.00082569 0.00021018
-0.01289007 -0.01769702 0.04671158
-6.80778000 6.30347995 -4.97178479
-0.00009225 -0.00024196 -0.00011659
-0.01149061 0.02220289 -0.01314480
-9.15892010 7.97819058 -5.42318995
0.00042605 0.00033160 -0.00006151
0.00836475 -0.00415820 -0.00143731
-8.38274478 -3.18202034 19.13789572
0.00094207 0.00029714 -0.00045610
0.01290986 -0.02080137 -0.02401530
-7.88380084 -6.09151235 18.50895453
-0.00056410 0.00016152 -0.00027600
-0.00284855 0.02451963 -0.00691795
-23.32917585 -3.50092277 -23.41712821
-0.00063160 -0.00048666 -0.00060835
0.00081144 0.03129485 -0.01451515
-23.01447209 -4.88316969 -20.87140796
0.00015817 -0.00107972 -0.00005096
-0.00671485 0.00543271 -0.01090572
6.72465818 13.28891636 4.31750266
0.00085561 -0.00031587 0.00028858
0.01065093 0.00037799 -0.00894815
8.19360367 11.82048910 6.52342026
0.00066090 0.00016784 -0.00004887
-0.01765444 0.00988104 -0.01041729
24.85163329 28.76747054 -2.27123008
0.00041696 -0.00034088 0.00010989
-0.00409792 0.00529247 0.00350096
24.03308077 31.65343762 -1.63309200
0.00042291 -0.00020266 -0.00008451
0.00691241 -0.02042164 -0.01634534
9.36964740 -2.22452634 -15.03923176
-0.00064065 0.00033297 -0.00081309
-0.00757375 0.00516719 -0.00031561
7.98204105 -1.43124165 -12.78891573
0.00035942 -0.00191407 -0.00075471
-0.00931398 -0.00742068 0.03005941
-7.58564609 -0.05491628 16.04302448
-0.00113453 -0.00013712 0.00034054
0.00119811 -0.01816067 -0.02437875
-8.69439325 -2.17102077 14.04178244
-0.00051326 0.00068777 0.00113555
0.02559158 0.02330756 0.01881750
-2.64947572 -26.64474129 12.84853214
0.00033809 -0.00002516 -0.00046712
0.00455361 -0.00760735 0.02282100
-3.20949546 -25.89469161 10.12788679
0.00025812 -0.00009171 0.00027889
0.02222424 -0.00353093 0.00318927
-14.58878341 -2.87857007 -6.24006211
-0.00082953 -0.00007227 0.00011026
0.01114067 -0.00972877 -0.00814566
-14.80212620 -4.61827985 -8.68834320
0.00059102 -0.00034562 -0.00007813
-0.00052303 -0.00006682 -0.00394407
-19.25053239 -11.10401677 -16.81643016
-0.00012830 -0.00050891 -0.00082706
-0.01064566 -0.03530465 -0.01890854
-18.49909596 -13.54142220 -18.27817317
0.00092744 0.00137883 0.00076909
-0.00089610 -0.00125224 0.00417439
23.92029737 3.31624655 1.58153307
0.00134251 0.00124699 0.00064558
-0.00364314 0.00968839 -0.00381985
22.87169276 5.14497848 3.90282456
0.00033603 -0.00011567 -0.00050344
0.00711588 0.00784188 -0.00184947
16.15943480 -10.00005166 -13.28038392
0.00068671 -0.00038700 -0.00013814
0.03660396 0.00082734 -0.01453602
17.02637423 -9.98789736 -16.03230062
0.00002041 -0.00074194 0.00059498
0.00764687 0.00367045 -0.00690341
-0.49875566 2.21990534 -8.05019685
0.00060833 -0.00029146 0.00001282
-0.00641489 -0.00124216 0.01036004
-2.23475753 0.02924300 -7.37223517
-0.00003457 0.00000828 0.00154381
-0.00481294 0.01173248 -0.00154835
-5.62178052 -3.62450904 -16.70365965
0.00084927 -0.00103372 0.00016875
0.01274834 0.00165985 0.00878660
-3.53631314 -1.64742006 -16.63069723
-0.00084533 0.00056443 0.00004130
-0.00267144 -0.00420553 -0.00053200
12.73029379 18.91501101 -20.68962671
-0.00088809 -0.00022091 0.00078209
-0.00145527 -0.01978435 0.00281100
11.95431552 16.15767717 -20.09867257
-0.00016878 0.00036378 -0.00012549
-0.01947894 -0.01120357 -0.00587201
-15.25843553 15.66058622 -13.74192637
0.00061878 0.00009215 -0.00126066
-0.02343316 0.00155263 0.03127884
-17.79097472 15.08643769 -12.20098916
0.00080244 -0.00004232 0.00063248
0.02862379 0.01160939 -0.00830164
2.71007482 14.96120721 5.98291731
-0.00052348 -0.00003821 -0.00085112
-0.00649571 0.01612896 -0.00481247
0.63521075 15.74344641 8.27038432
-0.00058609 0.00084926 -0.00011863
0.01347864 -0.00461148 -0.02192285
-6.00530901 -8.27615951 1.17019963
0.00116413 -0.00073509 0.00104507
-0.00284271 -0.00712344 0.01259229
-3.54741134 -9.62125617 1.67611592
0.00004202 -0.00110729 0.00016716
0.00047986 -0.00650277 0.00573630
2.37206768 -4.70136536 2.91543707
0.00127217 -0.00154116 -0.00006679
0.03119841 -0.02787620 -0.01088251
4.48583837 -6.53326349 1.37873714
0.00000382 -0.00066364 0.00026498
-0.00019149 0.01128901 0.00313239
9.17254952 5.73778922 4.16322822
0.00041933 -0.00013921 -0.00080884
0.02740085 -0.00741875 -0.00466514
12.08090530 6.27267982 4.74370125
-0.00010190 0.00041330 -0.00001735
0.00395312 0.00184585 -0.00092645
-7.34465130 -11.00289328 -2.48558549
-0.00044011 0.00128070 -0.00088741
-0.00117102 -0.01063327 0.01332714
-9.75735345 -9.26319248 -1.46075373
0.00043297 0.00022198 -0.00043325
0.01304461 -0.01506822 -0.00303181
4.53429540 -16.56729641 -14.18704514
0.00078217 -0.00001017 -0.00053172
0.00089026 0.00798588 -0.01212012
3.68920760 -16.98073786 -11.63153964
0.00158939 -0.00105031 -0.00008973
-0.03189550 0.02678131 -0.02826147
5.74683852 -6.91238650 -5.94600217
-0.00060262 -0.00040208 0.00023668
0.00822214 0.01173224 -0.01881900
5.01857560 -8.18618665 -3.67510543
0.00013752 0.00060936 0.00086436
-0.00919042 -0.01779647 -0.02391787
16.77545581 1.47050550 24.63832227
0.00012171 0.00091594 0.00040415
0.01389061 0.01304023 -0.00254255
19.84287446 2.29483944 24.69798149
-0.00030344 0.00022736 -0.00121347
-0.01237316 0.00640071 0.00394553
-9.76028317 3.61817382 2.33698133
0.00016162 0.00161967 -0.00002909
-0.00867550 -0.00117040 0.00432432
-7.55016960 4.71282474 0.86279094
0.00045236 -0.00081157 0.00047505
0.00057736 -0.00795386 0.00209165
-6.44928618 14.32697673 -9.22207146
-0.00016515 -0.00074742 -0.00000202
0.02207435 0.00495428 0.01923043
-9.26736276 13.75069410 -9.44555897
0.00095820 -0.00011550 -0.00027743
0.02363885 0.00633304 -0.01813685
0.19465602 10.90140409 -8.04013324
0.00078228 0.00014376 0.00116085
0.01099349 0.00058869 0.00009301
2.59975726 12.50487246 -7.81864613
-0.00038581 -0.00134174 0.00014084
0.00519188 0.00153303 0.00663552
-10.19079506 8.97464080 -13.77243611
0.00027941 0.00048256 -0.00022854
-0.02639751 0.01573675 0.00467794
-12.67028437 9.93343723 -12.18055205
0.00026222 0.00016066 -0.00123464
0.02266394 -0.00466323 -0.03287744
7.24442121 6.16726603 15.16825462
0.00029107 -0.00009296 -0.00161602
-0.00109146 -0.00804179 -0.02304094
7.18300216 4.17628201 12.87764938
0.00025399 0.00098232 -0.00020980
0.00867508 0.00996618 0.00057786
-13.83012648 10.68838880 -8.46960279
0.00034745 -0.00112096 -0.00064492
0.00047418 0.00519715 0.00860555
-16.30025037 9.94775818 -9.89747587
0.00065775 -0.00014854 -0.00024064
0.01679204 -0.01555351 0.01575675
8.47607630 9.82623416 -2.23887252
-0.00090280 0.00001297 -0.00093773
-0.00225924 0.02529250 0.00955627
7.32995925 8.46700314 -4.49770388
0.00018321 0.00016360 -0.00191959
0.00016197 0.00838811 0.01058208
12.05505803 -20.25304378 -26.60406805
-0.00010793 0.00054349 0.00060823
0.02359524 -0.00224535 0.01588809
13.61770414 -19.88891524 -24.01904622
0.00050165 -0.00100044 -0.00041473
-0.00354316 -0.00556862 -0.00571894
5.67746264 4.70095933 2.67608704
0.00044605 0.00029693 -0.00090816
0.01782975 0.04438918 -0.01691343
6.34521788 7.30593098 0.94157529
0.00021077 0.00024250 -0.00030455
0.00188424 -0.00780051 -0.01991137
20.54913590 -6.50884412 -5.68421499
-0.00051490 0.00043463 -0.00048414
-0.02291240 0.00991169 -0.01173391
17.81550503 -5.29390410 -5.40940823
-0.00083978 0.00008305 0.00037009
-0.00201445 0.00596626 0.00201570
-2.75635516 0.30690795 -1.24750156
0.00073860 0.00069443 0.00091272
-0.01268674 0.00056474 0.03219341
-2.49388646 0.98193682 -3.94525069
-0.00025327 -0.00038884 0.00027442
0.00978680 0.00532039 -0.01740418
3.50431052 -3.20630958 -12.15014182
-0.00008282 0.00051037 -0.00020487
0.03133085 -0.03999696 0.00204465
0.61416883 -2.45392238 -11.49428858
0.00062864 -0.00046600 -0.00050269
0.03332234 0.00069096 -0.01003218
19.49752564 8.31146955 -6.65226585
-0.00129945 0.00070025 0.00060696
0.02410715 0.01779573 0.02758192
21.96121691 8.56997399 -4.73085084
0.00011989 -0.00010682 -0.00011507
-0.02148301 0.00833857 -0.00993164
-7.48463702 4.67551201 8.89885069
0.00047693 -0.00013899 0.00010008
0.00303363 -0.00276628 0.00468616
-7.55354687 6.23724126 11.36381634
-0.00066011 -0.00000625 0.00081352
-0.00157229 0.00620006 -0.04014126
-3.09517989 -16.37670677 11.44182493
-0.00065476 0.00008256 -0.00095243
0.00016147 0.01354801 -0.00120740
-4.15689564 -13.59613171 11.70682091
-0.00004783 -0.00058044 -0.00041218
0.00758236 -0.01553486 -0.00554957
8.42235009 0.52954703 -3.08184578
0.00050150 0.00034389 -0.00020598
-0.00662223 -0.01011775 -0.04026539
7.80121678 2.07515677 -5.61536187
0.00009434 0.00040434 -0.00084885
-0.00075777 -0.01527771 -0.00182627
1.23928061 -10.66724471 1.59437350
-0.00018192 -0.00015789 0.00024888
-0.01443903 -0.00278241 0.00475404
0.12674500 -8.35500416 0.30865124
-0.00026331 -0.00051119 0.00046729
0.00234717 0.00669376 -0.00959188
-20.10091443 -1.33476248 6.59830568
-0.00053947 -0.00022836 -0.00015961
0.00410067 -0.00857749 0.02168337
-21.13610532 0.18281749 4.43091063
-0.00114936 0.00093055 0.00012533
-0.00576267 0.01076578 -0.00790447
-3.83852206 8.40444643 -24.97888297
-0.00033378 -0.00047604 -0.00105485
0.02557384 0.00816886 -0.04896348
-4.45185524 9.04590027 -22.49407135
-0.00039345 -0.00001184 0.00114183
-0.00323248 -0.00344009 0.01892440
3.84038809 0.97934769 -0.91402200
0.00052034 0.00052639 0.00001941
-0.00734143 0.02862487 -0.00176072
1.23368170 1.20297893 -1.93467825
0.00048033 -0.00147869 0.00091143
-0.00866297 0.02118440 0.00271324
15.92626719 7.51767646 6.47786607
-0.00049914 0.00051762 0.00039470
-0.00339634 0.00677832 -0.02752137
15.85432872 9.18403076 3.83270891
0.00013458 -0.00070938 0.00033274
-0.00649679 -0.04184873 0.02370972
-0.34004023 -11.81724711 -13.27022781
0.00008060 -0.00000970 0.00023341
0.01088900 -0.00127223 -0.00178850
-13.93919444 14.48823016 22.18614904
-0.00001700 -0.00012228 0.00014874
-0.00122822 -0.00267260 0.00037755
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02860971
0.33602093
447.73104947
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1372633856
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.2766489927 (a.u.)
total exchange computation time: 2.7143089771 s
-153.8020760121
-931.36966185
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1372633856
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.2774023337 (a.u.)
total exchange computation time: 2.7165260315 s
-153.7971950995
Anderson extrapolation: theta=1.3839587961 (1.3839587961)
-931.36989843
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1372633856
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.2784070194 (a.u.)
total exchange computation time: 2.7136769295 s
-153.7907916824
Anderson extrapolation: theta=0.0661630965 (0.0661630965)
-931.37004852
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1372633856
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.2784271863 (a.u.)
total exchange computation time: 2.7123150826 s
-153.7907799091
Anderson extrapolation: theta=2.3337607766 (2.0000000000)
-931.37005742
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1372633856
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.2784301689 (a.u.)
total exchange computation time: 2.7134659290 s
-153.7909453366
Anderson extrapolation: theta=0.4311349145 (0.4311349145)
-931.37007016
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1372633856
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.2784088596 (a.u.)
total exchange computation time: 2.7140069008 s
-153.7910728439
Anderson extrapolation: theta=1.0518270824 (1.0518270824)
-931.37007439
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1372633856
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.2783795155 (a.u.)
total exchange computation time: 2.7127819061 s
-153.7911535358
Anderson extrapolation: theta=0.5598776653 (0.5598776653)
-931.37007786
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1372633856
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.2783624192 (a.u.)
total exchange computation time: 2.7148718834 s
-153.7911257849
Anderson extrapolation: theta=0.7733029704 (0.7733029704)
-931.37007937
-209.006549 50.105336 -159.788834
-133.583452 460.270593 -799.927438
-342.590001 510.375929 -959.716273
1139.695934
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0568313953
ExchangeOperator: pair fraction: ispin=0: 0.1372633856
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2783502126 (a.u.)
total exchange computation time: 2.7132318020 s
677.52380578
-1080.79483196
89.87198399
-391.11009785
-174.58258996
76.63681840
551.60419304
0.00000000
-931.37008021
-10.92713682 -4.26046268 6.70092202
0.00002923 -0.00007580 -0.00016269
-0.00143430 0.00647769 -0.02921775
-14.00811460 3.58689011 9.32874650
0.00036307 0.00016976 -0.00029353
-0.00031016 0.01903170 0.00162575
-15.94184491 1.37954978 3.43275276
0.00001485 0.00012735 -0.00015048
-0.02743907 -0.01026789 0.02761546
2.54890908 -19.83506632 12.80347072
0.00027928 0.00002279 0.00014867
0.01792341 0.01484762 0.03561401
9.62329028 20.37463658 1.12138414
-0.00013388 -0.00007564 0.00041376
-0.01250037 -0.01247779 -0.00471559
-12.06014695 12.56560275 15.16313194
-0.00026016 0.00001257 0.00016072
0.02331614 0.00317836 0.01118482
-6.24436968 1.45390458 -12.34702230
0.00014385 0.00001137 -0.00041848
0.00809029 0.01691833 -0.03201811
-7.41245905 7.78859262 -5.96637026
-0.00011616 -0.00009134 -0.00017281
0.00229847 -0.02412325 0.00636581
-7.72835325 -4.34082538 17.79489852
-0.00017883 0.00005216 0.00007464
-0.00752614 -0.01986621 0.03535119
-23.53065202 -5.07626699 -22.62541044
-0.00014615 -0.00025939 -0.00017566
-0.00291194 -0.03362642 0.02262274
6.61391808 12.76778802 6.04772320
-0.00016015 0.00003191 -0.00003347
0.01758447 -0.01402391 0.01691635
24.74056535 30.47346342 -2.93849283
0.00012836 0.00029621 -0.00016939
-0.00689425 0.00761710 0.01283046
7.91596918 -1.10696253 -14.53282573
0.00001627 0.00042316 -0.00011594
0.00684507 0.00605761 -0.01688199
-7.31084407 -0.92533844 14.36621059
-0.00014638 0.00004306 -0.00031830
-0.02212173 0.00265657 -0.00324609
-1.77707389 -26.22054161 11.29948820
0.00022798 0.00008996 -0.00012557
-0.02152639 0.01137761 -0.03719103
-14.07576061 -4.51018214 -7.00813138
0.00019962 0.00026079 0.00010129
-0.00912868 0.00643383 0.00545183
-20.01206050 -12.61933932 -17.74101342
-0.00001814 -0.00013112 0.00023380
0.01720828 0.03340864 0.01313891
22.75378790 3.58117094 3.00225028
0.00003454 -0.00023844 0.00000390
-0.00856780 -0.01322990 0.00993964
17.73703218 -10.24104757 -14.37156526
-0.00032894 -0.00029571 -0.00006432
-0.03706176 0.00219039 0.02685836
-2.02582782 1.82834678 -7.02953434
0.00023548 -0.00025759 0.00008173
0.00695705 -0.00316043 -0.02359771
-4.23773245 -3.03701567 -15.62227420
-0.00031571 0.00002997 -0.00008571
-0.00559422 0.00776678 -0.01113056
13.36003006 17.27255139 -20.02816204
0.00014371 0.00014691 0.00036354
0.02537237 0.02761367 -0.00234359
-16.16716027 16.08023333 -12.10304690
0.00038342 0.00010300 0.00012085
0.00300772 -0.01003074 -0.01915246
1.85785758 14.54346396 7.53441226
0.00067908 0.00028698 0.00003446
-0.02568216 -0.00987185 0.03292052
-5.33178789 -9.65417370 2.20890488
-0.00026896 -0.00000323 0.00012731
0.01498793 0.00047405 -0.00825363
3.09101996 -6.44910652 2.59158888
-0.00011840 -0.00004512 0.00028086
-0.01766958 0.01425962 0.01252599
10.87387212 4.91884007 4.44099934
-0.00007122 0.00016987 -0.00017195
-0.02970843 0.01503422 0.01087206
-8.52117979 -9.66868290 -2.78888873
0.00006101 0.00008959 -0.00031506
-0.02374387 0.03374723 -0.01553433
3.13707108 -15.94540995 -13.19350833
-0.00014386 0.00018485 0.00015421
0.03202352 -0.03592307 0.03869447
4.81048396 -8.41466244 -5.54122962
-0.00007887 0.00021967 0.00031866
-0.00339043 0.00449030 0.05014995
18.55475662 0.96142605 24.69917767
0.00001464 0.00016584 -0.00018270
-0.00655113 -0.02094378 0.00125064
-8.43867568 3.11308401 1.14351426
-0.00047150 -0.00005216 0.00015728
0.01980244 0.00520066 -0.01244510
-7.71291170 14.22319974 -10.45517347
0.00027609 -0.00000580 0.00038605
-0.04527433 -0.01255518 -0.00748818
1.71368089 11.40652291 -8.97652763
0.00007982 0.00015443 -0.00005715
-0.02088960 -0.00701771 -0.01110746
-11.72817519 10.08364105 -13.86787016
0.00019338 0.00016330 0.00008061
0.00393877 -0.01509295 0.02581755
7.01176673 4.40856093 14.69811917
-0.00048632 0.00023899 0.00018132
-0.00062290 -0.01157400 0.00964067
-14.75632032 9.21410793 -9.10623893
-0.00037336 -0.00015984 0.00036626
-0.02314909 0.00258583 -0.02632951
8.49684761 8.26381909 -3.09568906
0.00006725 -0.00022344 0.00016005
-0.00471271 -0.02625992 -0.02416604
13.75451472 -20.43895559 -25.82109561
0.00013690 -0.00007476 -0.00020406
-0.02358477 0.00642796 -0.01259292
6.27272988 6.59505889 2.58522486
-0.00024832 0.00019572 -0.00007096
-0.01870793 -0.04038952 0.03253148
19.10221897 -5.77407333 -6.62857968
-0.00015687 -0.00009794 -0.00025199
0.01000586 -0.01265049 0.01949596
-1.68521918 -0.00082996 -2.64227259
0.00007440 -0.00017651 -0.00032517
0.00758041 -0.01276698 0.00890292
2.36705464 -1.87468060 -12.18487909
-0.00015795 0.00010365 0.00040619
-0.05380090 0.03947567 0.00028272
20.29384845 9.36823259 -5.27907402
-0.00064149 -0.00004278 -0.00021915
0.00687709 -0.02272295 -0.02046279
-7.51346512 6.43609994 9.45547208
-0.00018719 -0.00010831 0.00004117
-0.01088707 -0.00510253 0.04712150
-2.61276614 -14.58962952 11.47604196
0.00025226 0.00012966 -0.00015777
-0.00923957 -0.00300789 0.01040945
8.12314032 0.30943781 -4.96054393
0.00000503 -0.00035680 0.00018955
0.00518200 0.02516777 0.04043361
-0.09121479 -10.16132669 0.39501385
-0.00017516 -0.00024986 -0.00030784
0.00713324 -0.01383760 0.00529244
-20.16237610 -1.31148552 4.77541133
-0.00011274 0.00020662 0.00006846
-0.00067891 0.00279893 -0.01640512
-4.61068379 7.62232392 -23.60740425
0.00020722 0.00017795 -0.00022049
-0.02222247 -0.00406173 0.04247914
2.56664760 2.33434367 -1.19038172
0.00004164 -0.00018640 0.00037067
0.02049640 -0.04703010 -0.00892822
15.51971547 7.44351664 4.62631429
-0.00004539 -0.00019442 -0.00028294
0.00782820 0.03745477 0.00315397
-9.48200110 -4.67733849 7.64897604
-0.00025334 0.00008354 0.00131205
0.01694456 -0.00739492 0.02050531
-10.20846162 -3.80387731 5.02218208
0.00040250 -0.00069702 0.00011480
-0.00590319 -0.01262911 0.01236676
-12.82716568 4.77973396 8.56173172
-0.00006729 -0.00002452 -0.00027830
-0.00503007 -0.01181917 0.00392229
-13.67966452 1.91479730 8.62741080
-0.00089820 0.00036238 0.00012138
0.00359325 -0.00264509 -0.00483305
-15.31054793 1.95801910 5.08842359
-0.00038164 0.00128613 0.00076537
0.00128272 -0.01036025 -0.01504810
-17.35075597 0.13142391 4.05435074
-0.00050110 0.00063111 -0.00030840
0.02173757 0.02437914 -0.01520509
3.12409869 -21.22227021 11.78116698
0.00062977 -0.00069280 -0.00015225
-0.00394476 -0.01472672 -0.00722498
3.66546425 -19.79507782 14.33430231
-0.00015078 0.00098213 -0.00088055
-0.01634370 0.00316355 -0.02770735
8.62397327 18.80585267 1.17335316
0.00087499 -0.00065204 -0.00015395
0.01053820 0.00588071 -0.00674572
8.51625241 21.57015971 1.95732720
0.00032616 0.00100705 0.00035211
-0.00119123 0.01118580 0.00656847
-11.02269395 11.68912009 16.46854124
-0.00070843 -0.00054798 0.00035780
-0.01340282 0.02433095 -0.01103760
-12.59198397 14.23576292 15.78644645
0.00009075 -0.00031576 -0.00019712
0.00538479 -0.01098873 -0.00046753
-5.27726708 0.18704449 -13.21349678
0.00082260 -0.00052162 -0.00021444
0.00014601 -0.00170296 -0.00682414
-6.70428281 0.66103848 -10.82141915
0.00003221 -0.00088952 0.00038553
-0.01073209 -0.01354783 0.03912253
-6.80951591 6.30053089 -4.97393642
-0.00013980 -0.00015016 -0.00017088
-0.01178442 0.02273570 -0.01343124
-9.15227301 7.98303713 -5.42415661
0.00045283 0.00031541 -0.00006473
0.00474380 -0.00376617 -0.00013770
-8.36821809 -3.17820068 19.13031825
0.00099135 0.00021637 -0.00054762
0.01121087 -0.01873682 -0.02078055
-7.89234956 -6.08833822 18.50460257
-0.00057595 0.00025964 -0.00030266
-0.00295289 0.02350953 -0.00613188
-23.33862497 -3.50726367 -23.42669831
-0.00062791 -0.00035839 -0.00066591
0.00099613 0.03149409 -0.01365828
-23.01230533 -4.89919901 -20.87250649
0.00013066 -0.00105544 -0.00009782
-0.00675276 0.00645076 -0.01203339
6.73781871 13.28418991 4.32155721
0.00089818 -0.00031182 0.00024631
0.01018734 0.00160616 -0.01174519
8.20297618 11.82330945 6.52236803
0.00058279 0.00021097 -0.00009150
-0.02058079 0.01123524 -0.01045210
24.85776209 28.76251946 -2.26947447
0.00039953 -0.00030959 0.00011973
-0.00443487 0.01002591 0.00131645
24.03963625 31.64977196 -1.63486050
0.00044921 -0.00028267 -0.00014824
0.00596001 -0.01874296 -0.01485106
9.35980557 -2.21937346 -15.05143777
-0.00066878 0.00035327 -0.00081686
-0.00619487 0.00476949 -0.00153098
7.98714700 -1.46018011 -12.79931524
0.00032069 -0.00194464 -0.00062904
-0.00964561 -0.00754302 0.03145658
-7.60262727 -0.05752959 16.04738555
-0.00112531 -0.00021183 0.00023509
0.00331235 -0.01840973 -0.02723984
-8.70130796 -2.15998998 14.05939225
-0.00041216 0.00077747 0.00120771
0.02389678 0.02059925 0.01650650
-2.64426486 -26.64535181 12.84222471
0.00035510 -0.00005725 -0.00036995
0.00377556 -0.00809936 0.02474016
-3.20494261 -25.89617546 10.13216791
0.00034610 -0.00010507 0.00028883
0.02084311 -0.00300825 0.00167579
-14.60088491 -2.87995232 -6.23865785
-0.00078364 -0.00011169 0.00007670
0.01132114 -0.00956638 -0.00827977
-14.79327698 -4.62346622 -8.68963596
0.00058879 -0.00034544 -0.00009322
-0.00056518 0.00015393 -0.00344628
-19.25278317 -11.11273224 -16.82941544
-0.00017072 -0.00064347 -0.00089760
-0.01011868 -0.03056506 -0.01562472
-18.48521182 -13.52077806 -18.26650886
0.00092341 0.00136950 0.00078385
-0.00107533 -0.00331848 0.00304776
23.94032331 3.33524821 1.59109966
0.00132428 0.00128336 0.00063137
-0.00528010 0.00811677 -0.00313510
22.87695121 5.14348372 3.89521622
0.00036357 -0.00008204 -0.00050792
0.00636922 0.00862229 -0.00034300
16.17085715 -10.00583130 -13.28290151
0.00082814 -0.00038234 -0.00019252
0.03262537 0.00145519 -0.01207917
17.02691472 -9.99891405 -16.02358740
0.00004665 -0.00072502 0.00055548
0.00519927 0.00461235 -0.01243307
-0.48982722 2.21549544 -8.04968711
0.00057851 -0.00029858 0.00005686
-0.00818465 -0.00224400 0.01119965
-2.23542350 0.02972666 -7.34912539
-0.00005382 0.00004929 0.00153472
-0.00461101 0.00834537 -0.00290376
-5.60865079 -3.63996392 -16.70085922
0.00089355 -0.00102952 0.00019871
0.00892743 0.00039209 0.00588062
-3.54907490 -1.63908251 -16.63009399
-0.00085699 0.00054529 0.00003986
-0.00304027 -0.00516236 -0.00017282
12.71692786 18.91109115 -20.67780927
-0.00089279 -0.00029774 0.00079240
-0.00084809 -0.01782712 0.00223851
11.95118699 16.16279062 -20.10073487
-0.00024515 0.00031788 -0.00014875
-0.01790628 -0.01126718 -0.00551117
-15.24987192 15.66201606 -13.75987773
0.00051659 0.00010058 -0.00112160
-0.02658713 0.00257167 0.03679122
-17.77806097 15.08615863 -12.19175634
0.00091567 0.00000337 0.00059767
0.02679993 0.01075541 -0.00873927
2.70202350 14.96112825 5.97000303
-0.00055058 0.00002683 -0.00086949
-0.00676779 0.01570815 -0.00418090
0.62683243 15.75604397 8.26793305
-0.00052145 0.00082028 -0.00021333
0.01816397 -0.00957423 -0.02443344
-5.98793414 -8.28740418 1.18626149
0.00114310 -0.00074635 0.00108309
-0.00745470 0.00161494 0.00602177
-3.54676632 -9.63806473 1.67879903
0.00004048 -0.00113360 0.00019156
-0.00123242 -0.00637870 0.00620855
2.39210621 -4.72533695 2.91410177
0.00139006 -0.00163392 -0.00010783
0.02651156 -0.01752878 -0.00920584
4.48588978 -6.54287213 1.38280777
0.00000193 -0.00061784 0.00027916
-0.00073309 0.01113130 0.00381009
9.17967908 5.73547374 4.15095264
0.00052588 -0.00016702 -0.00082804
0.02475580 -0.00619653 -0.00473179
12.07949789 6.27893587 4.74341266
-0.00008755 0.00041867 -0.00002149
0.00307496 0.00078081 -0.00109982
-7.35128882 -10.98400865 -2.49848826
-0.00042986 0.00122069 -0.00082868
0.00618859 -0.01874026 0.01542096
-9.75045917 -9.26032447 -1.46734537
0.00048378 0.00016105 -0.00044256
0.01182647 -0.01475694 -0.00152579
4.54605525 -16.56720418 -14.19539231
0.00077184 0.00002899 -0.00057243
-0.00594960 0.01117975 -0.00780751
3.71207101 -16.99567183 -11.63375157
0.00145435 -0.00093601 -0.00020965
-0.03420315 0.02916777 -0.03044248
5.73805120 -6.91805815 -5.94302868
-0.00056315 -0.00034476 0.00015689
0.01109822 0.01632735 -0.02023798
5.02035672 -8.17759158 -3.66287294
0.00009945 0.00053586 0.00075990
-0.00944274 -0.01818449 -0.02721399
16.77770707 1.48464421 24.64430654
0.00017857 0.00096728 0.00039341
0.01394478 0.01209100 -0.00271324
19.83794378 2.29844603 24.67990039
-0.00035176 0.00025433 -0.00119660
-0.01128294 0.00679888 0.00430969
-9.75812464 3.64243297 2.33667756
0.00012401 0.00161291 -0.00001019
-0.00973692 -0.00213820 0.00492576
-7.54336651 4.70040750 0.86998084
0.00045720 -0.00084073 0.00048138
0.00179049 -0.00632006 0.00100300
-6.45108699 14.31591730 -9.22151242
-0.00006651 -0.00072647 0.00008394
0.02621000 0.00530018 0.02284631
-9.25226540 13.74915565 -9.45027623
0.00104582 -0.00009176 -0.00034636
0.01925208 0.00528775 -0.01560350
0.20672715 10.90357847 -8.02271765
0.00082539 0.00014448 0.00115853
0.01010612 -0.00023562 -0.00122575
2.59412927 12.48479329 -7.81633024
-0.00035471 -0.00132500 0.00017591
0.01003182 0.00666463 0.01053305
-10.18741275 8.98236138 -13.77572087
0.00017285 0.00054528 -0.00020869
-0.02576514 0.01496758 0.00503656
-12.66565664 9.93570423 -12.20007911
0.00035001 0.00014069 -0.00135804
0.02031239 -0.00511011 -0.02752805
7.24875382 6.16562524 15.14330831
0.00028748 -0.00011518 -0.00170335
-0.00066430 -0.00283842 -0.01970979
7.18707783 4.19132220 12.87452007
0.00028844 0.00101967 -0.00020238
0.00818806 0.00831667 0.00305299
-13.82490019 10.67173369 -8.47901282
0.00035366 -0.00109157 -0.00060687
0.00256333 0.00918829 0.01001686
-16.28986962 9.94505350 -9.90060269
0.00071950 -0.00020896 -0.00017898
0.01343457 -0.01402569 0.01442945
8.46246506 9.82720368 -2.25264561
-0.00091161 0.00012113 -0.00089561
-0.00205093 0.02765319 0.01106244
7.33271239 8.46971415 -4.52617343
0.00019814 0.00019413 -0.00185945
0.00714307 0.00655593 0.01885763
12.05416206 -20.24496021 -26.59445779
-0.00001248 0.00053396 0.00067171
0.02312819 -0.00242138 0.01518900
13.62512025 -19.90409252 -24.02544237
0.00048708 -0.00102103 -0.00043261
-0.00358523 -0.00451064 -0.00303577
5.68469970 4.70677347 2.66194637
0.00051740 0.00047525 -0.00097550
0.01709581 0.04290249 -0.01605236
6.34843712 7.30932939 0.93639695
0.00021866 0.00020939 -0.00038144
0.00197960 -0.00840668 -0.01773065
20.54071029 -6.50202089 -5.69183662
-0.00060160 0.00047146 -0.00052754
-0.01952994 0.00811462 -0.00951155
17.80284668 -5.29247553 -5.40379506
-0.00083860 0.00010402 0.00036893
0.00259202 0.00429933 -0.00258378
-2.74566495 0.31734174 -1.23282425
0.00069496 0.00069429 0.00103285
-0.00867579 -0.00063330 0.02661154
-2.49738566 0.97626725 -3.94166775
-0.00021595 -0.00036355 0.00019984
0.00848511 0.00705743 -0.01910247
3.50402824 -3.19987965 -12.15315218
0.00004833 0.00034441 -0.00019704
0.03286960 -0.04124067 0.00178887
0.62461952 -2.46089116 -11.50213629
0.00076001 -0.00046295 -0.00054023
0.03098574 0.00080088 -0.00834598
19.47877264 8.32251869 -6.64231632
-0.00120313 0.00076722 0.00071270
0.02304275 0.01498535 0.02417941
21.96235697 8.56862716 -4.73288123
0.00002573 -0.00007080 -0.00015766
-0.02461019 0.00929529 -0.01091462
-7.47739006 4.67334235 8.90049550
0.00048925 -0.00015066 0.00011963
0.00299536 -0.00294580 0.00488567
-7.56349666 6.23733745 11.37478911
-0.00066600 0.00001941 0.00064189
-0.00131349 0.00636135 -0.04387215
-3.10499633 -16.37505321 11.42750146
-0.00065099 0.00014075 -0.00095722
0.00168450 0.01493644 -0.00113657
-4.15738080 -13.60531435 11.70046808
-0.00001837 -0.00064040 -0.00043442
0.00683981 -0.01381718 -0.00533508
8.42966963 0.53439527 -3.08616940
0.00047429 0.00030253 -0.00036696
-0.00669436 -0.01012448 -0.03853288
7.80260862 2.08075374 -5.62815062
0.00009285 0.00033208 -0.00085173
0.00003046 -0.02009625 0.00041997
1.23610936 -10.66969831 1.59825243
-0.00024399 -0.00016906 0.00026506
-0.01594700 -0.00268357 0.00316451
0.12286726 -8.36246683 0.31536661
-0.00025367 -0.00047893 0.00042707
0.00237440 0.00909680 -0.01009309
-20.10888087 -1.33845079 6.59657601
-0.00052254 -0.00026268 -0.00006897
0.00418760 -0.00821929 0.02268482
-21.15352226 0.19710564 4.43254841
-0.00116280 0.00096013 0.00009664
-0.00081681 0.00371458 -0.00614172
-3.84274513 8.39755612 -24.99620614
-0.00023141 -0.00044123 -0.00124759
0.02453775 0.00887309 -0.04538221
-4.45785598 9.04561726 -22.47636404
-0.00040594 -0.00003355 0.00120743
-0.00288354 -0.00718717 0.01319076
3.84796816 0.98812077 -0.91378487
0.00049337 0.00064103 0.00001317
-0.00585928 0.02748848 -0.00129116
1.24062122 1.18144780 -1.92092371
0.00044576 -0.00138886 0.00092262
-0.00825899 0.02278544 0.00276684
15.91867606 7.52564842 6.48294324
-0.00051421 0.00054316 0.00027638
-0.00398311 0.00572578 -0.03039677
15.85614827 9.17210770 3.83842661
0.00010858 -0.00087334 0.00042502
-0.00622671 -0.03841058 0.02146155
-0.33880206 -11.81739605 -13.26673144
0.00008451 -0.00001013 0.00023278
0.01099567 -0.00110246 -0.00172080
-13.93945164 14.48639136 22.18838085
-0.00001730 -0.00012289 0.00014884
-0.00132030 -0.00260034 0.00047441
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02837171
0.34170850
455.30944945
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569040698
ExchangeOperator: pair fraction: ispin=0: 0.1375662520
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.2875113661 (a.u.)
total exchange computation time: 2.6757450104 s
-153.8560400332
-931.37532302
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569040698
ExchangeOperator: pair fraction: ispin=0: 0.1375662520
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2881438332 (a.u.)
total exchange computation time: 2.6707441807 s
-153.8516044523
Anderson extrapolation: theta=1.4102355133 (1.4102355133)
-931.37555942
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569040698
ExchangeOperator: pair fraction: ispin=0: 0.1375662520
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2889374719 (a.u.)
total exchange computation time: 2.6726820469 s
-153.8459565392
Anderson extrapolation: theta=0.0781084098 (0.0781084098)
-931.37571496
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569040698
ExchangeOperator: pair fraction: ispin=0: 0.1375662520
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.2889067095 (a.u.)
total exchange computation time: 2.6721858978 s
-153.8461251579
Anderson extrapolation: theta=2.5497017154 (2.0000000000)
-931.37572603
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569040698
ExchangeOperator: pair fraction: ispin=0: 0.1375662520
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.2887950273 (a.u.)
total exchange computation time: 2.6725149155 s
-153.8466928107
Anderson extrapolation: theta=0.5393047823 (0.5393047823)
-931.37574207
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569040698
ExchangeOperator: pair fraction: ispin=0: 0.1375662520
ExchangeOperator: bisection time: 1.420 s
total exchange = -52.2887175150 (a.u.)
total exchange computation time: 2.6722810268 s
-153.8470011096
Anderson extrapolation: theta=0.7488523397 (0.7488523397)
-931.37574753
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569040698
ExchangeOperator: pair fraction: ispin=0: 0.1375662520
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.2886648335 (a.u.)
total exchange computation time: 2.6743562222 s
-153.8471087206
Anderson extrapolation: theta=0.6916631974 (0.6916631974)
-931.37575040
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569040698
ExchangeOperator: pair fraction: ispin=0: 0.1375662520
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.2886432061 (a.u.)
total exchange computation time: 2.6723229885 s
-153.8470335745
Anderson extrapolation: theta=0.5910706994 (0.5910706994)
-931.37575162
-208.982531 50.057964 -159.794858
-133.538050 460.271819 -799.980949
-342.520581 510.329782 -959.775807
1139.704539
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569040698
ExchangeOperator: pair fraction: ispin=0: 0.1375662520
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.2886448949 (a.u.)
total exchange computation time: 2.6720199585 s
677.65802239
-1081.10817714
89.87085453
-390.89958946
-174.60821745
76.81276518
551.60419304
0.00000000
-931.37575202
-10.92670384 -4.26157474 6.69836898
0.00002921 -0.00007295 -0.00017643
0.00135010 0.00461679 -0.02421478
-14.00266978 3.58950989 9.32434982
0.00036206 0.00018008 -0.00029187
-0.00361688 0.02110631 0.00484559
-15.94172803 1.38142042 3.43060214
0.00000136 0.00012285 -0.00013491
-0.02502363 -0.00724795 0.03291681
2.55316739 -19.83466712 12.80583822
0.00028800 0.00002921 0.00016455
0.01600291 0.01008009 0.02610306
9.62123385 20.37345385 1.12757240
-0.00014014 -0.00008141 0.00041149
-0.01184745 -0.00996273 -0.00413015
-12.06395945 12.56580362 15.16558586
-0.00024788 0.00001314 0.00016623
0.02443181 -0.00099039 0.01023309
-6.24218075 1.45414037 -12.35342301
0.00014802 0.00001800 -0.00043327
0.00814936 0.00885725 -0.02549422
-7.41419253 7.78712943 -5.96893787
-0.00011408 -0.00010385 -0.00016985
0.00578740 -0.02453144 0.00513154
-7.73106473 -4.34011961 17.79615450
-0.00018211 0.00004167 0.00009156
-0.00522857 -0.02091409 0.03044891
-23.53285551 -5.08028748 -22.62795803
-0.00014763 -0.00027662 -0.00016419
-0.00284082 -0.03338453 0.02196093
6.61158365 12.76821261 6.04728635
-0.00015030 0.00002415 -0.00002424
0.02070301 -0.01615402 0.01898218
24.74246415 30.47793591 -2.94098414
0.00012513 0.00029845 -0.00016284
-0.00566442 0.00110244 0.01260724
7.91623957 -1.10059176 -14.53463000
0.00001953 0.00042635 -0.00012424
0.00583492 0.00635030 -0.01537340
-7.31312516 -0.92468229 14.36142359
-0.00015764 0.00004522 -0.00031880
-0.02165936 0.00573702 0.00129029
-1.77373721 -26.21914830 11.29746115
0.00021746 0.00009567 -0.00014455
-0.01940180 0.01083586 -0.03660619
-14.07280156 -4.50624552 -7.00659105
0.00019492 0.00026388 0.00010390
-0.00912489 0.00560257 0.00469356
-20.01226629 -12.62117732 -17.73745577
-0.00000952 -0.00011488 0.00023987
0.01631357 0.02976481 0.01045740
22.75427293 3.57754334 3.00234717
0.00003072 -0.00024497 0.00000855
-0.00628063 -0.01218951 0.00812281
17.73195515 -10.24547473 -14.37242646
-0.00034611 -0.00029499 -0.00004995
-0.02971723 0.00058875 0.02902758
-2.02226885 1.82447081 -7.02839940
0.00023938 -0.00025805 0.00006966
0.00824561 0.00135169 -0.02332678
-4.24248972 -3.03653612 -15.62360271
-0.00031744 0.00003456 -0.00009070
-0.00110519 0.01007834 -0.00830629
13.36228357 17.27486157 -20.02271791
0.00015606 0.00016040 0.00036231
0.02264864 0.02485633 -0.00245240
-16.16139741 16.08173959 -12.10130797
0.00038624 0.00009799 0.00010994
0.00796682 -0.00942179 -0.02330692
1.86794471 14.54773056 7.53505621
0.00066489 0.00028309 0.00005169
-0.02949223 -0.00524379 0.03407503
-5.33576443 -9.65422034 2.21078274
-0.00025953 -0.00000548 0.00012475
0.02166091 -0.00921338 -0.00170769
3.08917582 -6.44972838 2.59585015
-0.00012600 -0.00004094 0.00028646
-0.01188716 0.00203106 0.00923309
10.87268927 4.92144617 4.43846198
-0.00008547 0.00017763 -0.00016619
-0.02569768 0.01511074 0.01154226
-8.52035630 -9.66720891 -2.79367461
0.00004733 0.00010885 -0.00032396
-0.02943867 0.04117007 -0.01905377
3.13503667 -15.94277581 -13.19104595
-0.00012530 0.00016517 0.00017340
0.04017702 -0.04060806 0.03592504
4.80928785 -8.41135011 -5.53625627
-0.00008124 0.00022095 0.00034542
-0.00581512 0.00049531 0.05391387
18.55495097 0.96383282 24.69644197
0.00001098 0.00015521 -0.00018212
-0.00768956 -0.02037431 0.00100603
-8.44567178 3.11232162 1.14582538
-0.00046140 -0.00004979 0.00015097
0.01947243 0.00404676 -0.01206870
-7.70894500 14.22306436 -10.44941167
0.00025336 -0.00001193 0.00038074
-0.04312348 -0.01129904 -0.01312864
1.71479766 11.40881221 -8.97742776
0.00006808 0.00014980 -0.00006356
-0.02477701 -0.01095953 -0.01379121
-11.72525927 10.08603238 -13.86656143
0.00019592 0.00015599 0.00009209
0.00593633 -0.01333096 0.01881247
7.00446947 4.41210112 14.70087610
-0.00048659 0.00023194 0.00018482
-0.00040949 -0.01583981 0.00398588
-14.76201003 9.21172028 -9.10084654
-0.00038479 -0.00015999 0.00035283
-0.02128158 -0.00317422 -0.02589728
8.49783822 8.26036615 -3.09338154
0.00006344 -0.00023683 0.00014550
-0.01013100 -0.02578677 -0.03242448
13.75647731 -20.44005219 -25.82420505
0.00012503 -0.00007165 -0.00021098
-0.02258740 0.00564841 -0.01433861
6.26893291 6.59783887 2.58428595
-0.00025762 0.00017580 -0.00005523
-0.01747505 -0.03705810 0.02865566
19.09990452 -5.77559127 -6.63228439
-0.00015391 -0.00010349 -0.00024154
0.00151967 -0.00892003 0.02115064
-1.68407393 -0.00352687 -2.64711574
0.00007750 -0.00018319 -0.00031844
0.00447111 -0.01321629 0.01723832
2.36447788 -1.87297358 -12.17878509
-0.00018443 0.00012400 0.00040601
-0.04917327 0.03967193 -0.00100168
20.28425257 9.36750323 -5.28244020
-0.00063676 -0.00005381 -0.00022839
0.01154850 -0.02014837 -0.01545491
-7.51631497 6.43445567 9.45627143
-0.00019281 -0.00011091 0.00006601
-0.01095295 -0.00503466 0.04947347
-2.60901791 -14.58769624 11.47371551
0.00024739 0.00012731 -0.00015253
-0.00969399 -0.00613434 0.00999038
8.12323577 0.30418284 -4.95754466
0.00000744 -0.00034268 0.00020908
0.00419908 0.02973746 0.03550105
-0.09381470 -10.16512794 0.39041661
-0.00017116 -0.00025753 -0.00030460
0.00842684 -0.01600362 0.00732995
-20.16406983 -1.30837538 4.77637490
-0.00011424 0.00020978 0.00005948
-0.00516630 0.00947567 -0.01848813
-4.60766121 7.62497746 -23.61054771
0.00019615 0.00017680 -0.00019845
-0.02084301 -0.00039474 0.04322581
2.56735125 2.33136632 -1.18485608
0.00005167 -0.00021042 0.00036578
0.01850209 -0.04638924 -0.01009772
15.51906483 7.44074480 4.62208228
-0.00004140 -0.00017609 -0.00027999
0.00767247 0.03382620 0.00832379
-9.48528201 -4.67631192 7.66928508
-0.00019278 0.00005648 0.00138898
0.01270217 -0.00585525 0.01715186
-10.20260509 -3.81471962 5.02428309
0.00038085 -0.00074764 0.00016283
-0.00469174 -0.01214799 0.01114088
-12.82832910 4.77900392 8.55767739
-0.00008345 -0.00006988 -0.00026535
-0.00288253 -0.01038388 0.00241529
-13.69302745 1.92015189 8.62908334
-0.00088094 0.00034417 0.00009856
0.00485811 -0.00626646 -0.00633513
-15.31623323 1.97699352 5.09944295
-0.00038124 0.00123877 0.00069190
-0.00108798 -0.01281994 -0.02091558
-17.35760640 0.14163765 4.04925885
-0.00041233 0.00072939 -0.00036950
0.02171668 0.02372916 -0.01470481
3.13342434 -21.23311350 11.77866182
0.00060900 -0.00074289 -0.00017390
-0.00622356 -0.00979414 -0.00337287
3.66270178 -19.78024895 14.32024507
-0.00020933 0.00099444 -0.00098206
-0.01231865 0.00286407 -0.02198488
8.63742097 18.79625228 1.17083726
0.00091463 -0.00062616 -0.00017990
0.00887008 0.00678906 -0.00595818
8.52110828 21.58560830 1.96281016
0.00032292 0.00104523 0.00037631
-0.00039452 0.00749913 0.00527779
-11.03373105 11.68164592 16.47356994
-0.00076377 -0.00044707 0.00031163
-0.01369033 0.02506625 -0.01155843
-12.59045764 14.23068984 15.78347527
0.00011060 -0.00035420 -0.00019615
0.00432913 -0.00783064 0.00094389
-5.26492358 0.17916795 -13.21692254
0.00081766 -0.00052133 -0.00023779
-0.00256512 0.00184916 -0.00460376
-6.70412847 0.64728059 -10.81443734
-0.00000661 -0.00093534 0.00052791
-0.00827203 -0.00888444 0.03057109
-6.81197405 6.29897521 -4.97691119
-0.00018786 -0.00005751 -0.00022553
-0.01174114 0.02261655 -0.01331936
-9.14533519 7.98765287 -5.42513171
0.00046532 0.00030088 -0.00006296
0.00137134 -0.00334743 0.00099955
-8.35300433 -3.17552932 19.12146722
0.00103314 0.00014537 -0.00062451
0.00924780 -0.01601518 -0.01686029
-7.90107926 -6.08372329 18.49987481
-0.00058834 0.00035229 -0.00032561
-0.00311245 0.02184594 -0.00510364
-23.34801305 -3.51167441 -23.43710548
-0.00062379 -0.00023202 -0.00071863
0.00102008 0.03036180 -0.01215094
-23.01055242 -4.91483300 -20.87434250
0.00010325 -0.00102694 -0.00014835
-0.00666444 0.00750121 -0.01270463
6.75160359 13.27956189 4.32489194
0.00093877 -0.00030303 0.00019363
0.00968230 0.00269369 -0.01404403
8.21108737 11.82681835 6.52067523
0.00049386 0.00025892 -0.00013386
-0.02295000 0.01223433 -0.01028340
24.86361909 28.75818282 -2.26763818
0.00038079 -0.00025981 0.00012086
-0.00473525 0.01434378 -0.00076137
24.04655698 31.64495762 -1.63753917
0.00047114 -0.00035490 -0.00020488
0.00477531 -0.01661555 -0.01287308
9.34958409 -2.21392828 -15.06373761
-0.00069098 0.00037175 -0.00082566
-0.00467231 0.00427902 -0.00277603
7.99166181 -1.48958085 -12.80778689
0.00028060 -0.00197501 -0.00050128
-0.00998134 -0.00732359 0.03108360
-7.61940545 -0.06127116 16.05007720
-0.00110753 -0.00028663 0.00011938
0.00539391 -0.01820580 -0.02939898
-8.70675813 -2.14769674 14.07801368
-0.00031941 0.00085480 0.00127005
0.02150408 0.01725401 0.01401063
-2.63882261 -26.64645871 12.83743351
0.00036941 -0.00009108 -0.00026637
0.00322901 -0.00846231 0.02596465
-3.19911237 -25.89784369 10.13655174
0.00042719 -0.00011623 0.00029201
0.01884809 -0.00245482 -0.00011890
-14.61229259 -2.88192084 -6.23776102
-0.00073728 -0.00014979 0.00004293
0.01137178 -0.00908329 -0.00825213
-14.78446240 -4.62864316 -8.69113994
0.00058655 -0.00034432 -0.00010598
-0.00053518 0.00039759 -0.00279630
-19.25565409 -11.12332093 -16.84335830
-0.00021015 -0.00075653 -0.00095361
-0.00917871 -0.02477822 -0.01178787
-18.47139358 -13.50033729 -18.25465776
0.00091837 0.00135184 0.00079405
-0.00139431 -0.00532690 0.00194722
23.96002566 3.35474731 1.60047412
0.00129911 0.00131317 0.00062016
-0.00703696 0.00647732 -0.00235247
22.88260000 5.14251739 3.88758686
0.00038792 -0.00004576 -0.00050650
0.00554650 0.00913644 0.00104060
16.18427898 -10.01152176 -13.28615939
0.00095138 -0.00037485 -0.00023554
0.02770223 0.00220959 -0.00898123
17.02777385 -10.00964806 -16.01563615
0.00006294 -0.00070433 0.00049364
0.00277480 0.00551863 -0.01784017
-0.48140038 2.21094802 -8.04849098
0.00054214 -0.00030961 0.00010388
-0.00961875 -0.00315668 0.01181553
-2.23637207 0.03072178 -7.32619358
-0.00007230 0.00007595 0.00152011
-0.00443411 0.00470274 -0.00425004
-5.59497393 -3.65539477 -16.69769839
0.00092172 -0.00103096 0.00021628
0.00486124 -0.00109725 0.00271869
-3.56202298 -1.63106134 -16.62950135
-0.00087004 0.00052241 0.00003975
-0.00334624 -0.00603984 0.00011989
12.70350995 18.90607874 -20.66585465
-0.00089524 -0.00036572 0.00080012
-0.00034969 -0.01544723 0.00154030
11.94696104 16.16721355 -20.10313494
-0.00031361 0.00027276 -0.00017041
-0.01560551 -0.01081742 -0.00509580
-15.24293774 15.66360350 -13.77557430
0.00040310 0.00011269 -0.00096233
-0.02896855 0.00335654 0.04117185
-17.76350475 15.08653873 -12.18305912
0.00102004 0.00004471 0.00056124
0.02428985 0.00948265 -0.00909042
2.69355741 14.96201199 5.95683252
-0.00057908 0.00008969 -0.00088451
-0.00718174 0.01506285 -0.00316923
0.61956732 15.76805476 8.26398434
-0.00043918 0.00077252 -0.00031704
0.02210707 -0.01380576 -0.02633029
-5.97101613 -8.29854989 1.20269240
0.00110294 -0.00072020 0.00109316
-0.01220067 0.01118201 -0.00109344
-3.54619684 -9.65526421 1.68186264
0.00003208 -0.00115924 0.00021774
-0.00288191 -0.00617033 0.00660750
2.41376953 -4.75038281 2.91220228
0.00148722 -0.00168016 -0.00014115
0.02104917 -0.00510720 -0.00710500
4.48589626 -6.55179858 1.38711191
-0.00000218 -0.00057286 0.00029614
-0.00127742 0.01088352 0.00450450
9.18832582 5.73277850 4.13838706
0.00062031 -0.00018927 -0.00084770
0.02146883 -0.00469382 -0.00489368
12.07827894 6.28523977 4.74305666
-0.00007688 0.00041953 -0.00002635
0.00214653 -0.00035894 -0.00127969
-7.35754707 -10.96627255 -2.51044593
-0.00038965 0.00112805 -0.00076171
0.01349366 -0.02660900 0.01736436
-9.74284008 -9.25836085 -1.47403051
0.00052903 0.00010173 -0.00044516
0.01032458 -0.01428232 0.00025136
4.55745047 -16.56642679 -14.20421798
0.00073462 0.00008057 -0.00059605
-0.01226906 0.01407105 -0.00375789
3.73283824 -17.00881822 -11.63782920
0.00131067 -0.00081314 -0.00033673
-0.03613238 0.03097697 -0.03176524
5.72994405 -6.92272916 -5.94129550
-0.00051259 -0.00026975 0.00007179
0.01365087 0.02038864 -0.02141835
5.02155913 -8.17011097 -3.65230829
0.00006061 0.00046110 0.00064376
-0.00957057 -0.01841135 -0.02963823
16.78081295 1.49952392 24.65012453
0.00023511 0.00101468 0.00038200
0.01373355 0.01111172 -0.00287155
19.83232161 2.30246930 24.66208341
-0.00039555 0.00028277 -0.00117828
-0.01015188 0.00712156 0.00465857
-9.75656285 3.66656108 2.33667567
0.00008282 0.00160201 0.00001051
-0.01042576 -0.00319502 0.00520525
-7.53645369 4.68760292 0.87723221
0.00046716 -0.00086300 0.00048323
0.00308626 -0.00458254 -0.00009502
-6.45128148 14.30518270 -9.21955322
0.00004685 -0.00070437 0.00018256
0.02928090 0.00551551 0.02542706
-9.23598815 13.74794126 -9.45594977
0.00111384 -0.00007286 -0.00040387
0.01404206 0.00396470 -0.01254836
0.21941766 10.90573842 -8.00537719
0.00086447 0.00014175 0.00115091
0.00902520 -0.00109772 -0.00250478
2.58911610 12.46512257 -7.81336883
-0.00030396 -0.00128782 0.00022673
0.01480756 0.01153318 0.01434390
-10.18560949 8.99099926 -13.77869696
0.00007018 0.00060403 -0.00018742
-0.02449212 0.01378848 0.00537642
-12.65978405 9.93765806 -12.22129326
0.00042670 0.00011880 -0.00145732
0.01722834 -0.00560610 -0.02107244
7.25304572 6.16381051 15.11715405
0.00028601 -0.00011440 -0.00177591
-0.00005847 0.00322226 -0.01580987
7.19165531 4.20687209 12.87157788
0.00032072 0.00104999 -0.00018503
0.00761183 0.00652548 0.00544031
-13.81951681 10.65564169 -8.48780897
0.00036843 -0.00104609 -0.00056288
0.00466775 0.01307350 0.01151858
-16.27866551 9.94148924 -9.90284520
0.00076607 -0.00026235 -0.00012349
0.00936442 -0.01210457 0.01273335
8.44872813 9.82986796 -2.26574072
-0.00091966 0.00023639 -0.00084909
-0.00188995 0.02876829 0.01170882
7.33590330 8.47282695 -4.55348727
0.00023837 0.00021716 -0.00177026
0.01255319 0.00471680 0.02480022
12.05468352 -20.23702504 -26.58391664
0.00007964 0.00052390 0.00073166
0.02196929 -0.00250434 0.01415695
13.63231664 -19.91954623 -24.03202457
0.00047245 -0.00103733 -0.00043926
-0.00357737 -0.00346658 -0.00022086
5.69298450 4.71521694 2.64682191
0.00058517 0.00064584 -0.00103915
0.01607937 0.04059965 -0.01510271
6.35177769 7.31221258 0.93013197
0.00022686 0.00017345 -0.00044822
0.00203297 -0.00918410 -0.01495541
20.53108777 -6.49470035 -5.70004118
-0.00067301 0.00050026 -0.00056095
-0.01542277 0.00598487 -0.00684152
17.79034718 -5.29078347 -5.39834024
-0.00081920 0.00011841 0.00034953
0.00690053 0.00274386 -0.00691593
-2.73550645 0.32773672 -1.21651602
0.00066820 0.00068892 0.00112864
-0.00441988 -0.00199540 0.02027564
-2.50036485 0.97103020 -3.93925552
-0.00018369 -0.00033162 0.00011918
0.00730341 0.00857679 -0.02037861
3.50576042 -3.19597721 -12.15605291
0.00018214 0.00017709 -0.00019033
0.03263322 -0.04066497 0.00149340
0.63696922 -2.46781085 -11.51049550
0.00087840 -0.00046066 -0.00057038
0.02696329 0.00031789 -0.00641141
19.46143185 8.33448622 -6.63088492
-0.00111238 0.00082152 0.00080283
0.02138057 0.01159535 0.01993907
21.96198877 8.56785000 -4.73558053
-0.00007996 -0.00003143 -0.00020380
-0.02712732 0.00997883 -0.01167406
-7.46995953 4.67099215 8.90243974
0.00050143 -0.00016288 0.00014001
0.00296851 -0.00303454 0.00508762
-7.57352694 6.23782351 11.38307312
-0.00067084 0.00004550 0.00045743
-0.00105530 0.00640991 -0.04642218
-3.11470954 -16.37248425 11.41310834
-0.00064108 0.00020374 -0.00096170
0.00316387 0.01589750 -0.00105551
-4.15744678 -13.61534380 11.69378829
0.00000735 -0.00069281 -0.00045564
0.00575063 -0.01183767 -0.00505086
8.43657890 0.53862302 -3.09285456
0.00044718 0.00026150 -0.00051872
-0.00657647 -0.00996068 -0.03575357
7.80400232 2.08511909 -5.64091363
0.00009435 0.00024146 -0.00084571
0.00070408 -0.02426075 0.00252688
1.23196077 -10.67231637 1.60232531
-0.00031174 -0.00017991 0.00027500
-0.01721516 -0.00263029 0.00169986
0.11913505 -8.36937199 0.32146340
-0.00024400 -0.00043761 0.00038495
0.00235867 0.01112864 -0.01052625
-20.11659067 -1.34264283 6.59623661
-0.00050543 -0.00029539 0.00002403
0.00418871 -0.00779445 0.02283952
-21.17098926 0.21162145 4.43380979
-0.00115633 0.00096162 0.00007504
0.00398055 -0.00298502 -0.00442908
-3.84546438 8.39120961 -25.01631061
-0.00013500 -0.00040515 -0.00142208
0.02265509 0.00878831 -0.04003213
-4.46403345 9.04489378 -22.45784832
-0.00041683 -0.00007016 0.00124946
-0.00244753 -0.01073359 0.00738102
3.85518915 0.99857851 -0.91362687
0.00047339 0.00074984 0.00000896
-0.00392271 0.02577686 -0.00076966
1.24705458 1.16131311 -1.90699960
0.00041282 -0.00129290 0.00093392
-0.00786697 0.02418724 0.00276496
15.91084082 7.53397128 6.48615751
-0.00053133 0.00056429 0.00014787
-0.00439762 0.00461916 -0.03250872
15.85758621 9.15783059 3.84545961
0.00008419 -0.00102093 0.00050699
-0.00571570 -0.03383776 0.01866244
-0.33750485 -11.81755091 -13.26324431
0.00008847 -0.00001049 0.00023218
0.01109016 -0.00092087 -0.00164203
-13.93971344 14.48454349 22.19061431
-0.00001762 -0.00012349 0.00014897
-0.00141631 -0.00254867 0.00058269
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02917862
0.34657341
461.79168918
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569040698
ExchangeOperator: pair fraction: ispin=0: 0.1375662520
ExchangeOperator: bisection time: 1.420 s
total exchange = -52.2995437882 (a.u.)
total exchange computation time: 2.6720750332 s
-153.9226140599
-931.37890310
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569040698
ExchangeOperator: pair fraction: ispin=0: 0.1375662520
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3002298543 (a.u.)
total exchange computation time: 2.6733720303 s
-153.9182348109
Anderson extrapolation: theta=1.3855650570 (1.3855650570)
-931.37912573
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569040698
ExchangeOperator: pair fraction: ispin=0: 0.1375662520
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3011645627 (a.u.)
total exchange computation time: 2.6726169586 s
-153.9124598722
Anderson extrapolation: theta=0.0683262134 (0.0683262134)
-931.37926687
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569040698
ExchangeOperator: pair fraction: ispin=0: 0.1375662520
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3012054155 (a.u.)
total exchange computation time: 2.6715719700 s
-153.9123991181
Anderson extrapolation: theta=2.3851620013 (2.0000000000)
-931.37927526
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569040698
ExchangeOperator: pair fraction: ispin=0: 0.1375662520
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3012724447 (a.u.)
total exchange computation time: 2.6716678143 s
-153.9123723584
Anderson extrapolation: theta=0.4445878680 (0.4445878680)
-931.37928694
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569040698
ExchangeOperator: pair fraction: ispin=0: 0.1375662520
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3012988940 (a.u.)
total exchange computation time: 2.6744160652 s
-153.9123275778
Anderson extrapolation: theta=0.9144809131 (0.9144809131)
-931.37929054
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569040698
ExchangeOperator: pair fraction: ispin=0: 0.1375662520
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3013287220 (a.u.)
total exchange computation time: 2.6736028194 s
-153.9121734856
Anderson extrapolation: theta=0.5556957637 (0.5556957637)
-931.37929296
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569040698
ExchangeOperator: pair fraction: ispin=0: 0.1375662520
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3013524926 (a.u.)
total exchange computation time: 2.6732890606 s
-153.9119753572
Anderson extrapolation: theta=0.6790136799 (0.6790136799)
-931.37929392
-208.949970 50.017253 -204.187037
-133.489546 460.275135 -800.038640
-342.439516 510.292388 -1004.225677
1177.341223
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569040698
ExchangeOperator: pair fraction: ispin=0: 0.1375662520
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3013735681 (a.u.)
total exchange computation time: 2.6732041836 s
677.83976386
-1081.51890816
89.86618287
-390.62299692
-174.64196242
77.04049809
551.60419304
0.00000000
-931.37929433
-10.92626045 -4.26265118 6.69562914
0.00003071 -0.00007112 -0.00018734
0.00448233 0.00248831 -0.01823165
-13.99725286 3.59229250 9.31999053
0.00035933 0.00019133 -0.00028855
-0.00698136 0.02262956 0.00806477
-15.94180421 1.38323514 3.42870546
-0.00001086 0.00011992 -0.00011688
-0.02247742 -0.00414065 0.03721443
2.55754916 -19.83419017 12.80840709
0.00029553 0.00003311 0.00017528
0.01326263 0.00512383 0.01565157
9.61908602 20.37219426 1.13372880
-0.00014604 -0.00008578 0.00040953
-0.01110177 -0.00703241 -0.00348117
-12.06758346 12.56599686 15.16811873
-0.00023509 0.00001158 0.00017111
0.02533071 -0.00508012 0.00875184
-6.23992896 1.45444448 -12.36002039
0.00015218 0.00002046 -0.00044457
0.00800596 0.00071504 -0.01843577
-7.41588136 7.78547698 -5.97146589
-0.00011028 -0.00011642 -0.00016763
0.00896109 -0.02431917 0.00350649
-7.73381655 -4.33957518 17.79764538
-0.00018414 0.00003066 0.00010573
-0.00264836 -0.02191058 0.02465039
-23.53508091 -5.08456553 -22.63033619
-0.00014907 -0.00029340 -0.00015335
-0.00275348 -0.03188180 0.02019180
6.60940895 12.76851258 6.04699594
-0.00013900 0.00001544 -0.00001416
0.02326712 -0.01772893 0.02023830
24.74431924 30.48241691 -2.94337818
0.00012256 0.00029737 -0.00015657
-0.00434748 -0.00531245 0.01178354
7.91655498 -1.09417199 -14.53655287
0.00002225 0.00042960 -0.00013132
0.00475302 0.00628206 -0.01216300
-7.31557334 -0.92398187 14.35664654
-0.00016847 0.00004900 -0.00031712
-0.02046085 0.00895625 0.00525190
-1.77055021 -26.21767140 11.29515170
0.00020804 0.00010100 -0.00016293
-0.01720684 0.00987758 -0.03488187
-14.06991290 -4.50226569 -7.00501452
0.00019025 0.00026646 0.00010604
-0.00904839 0.00442085 0.00364986
-20.01234622 -12.62278570 -17.73381745
-0.00000144 -0.00010080 0.00024441
0.01510610 0.02500093 0.00722891
22.75470951 3.57382171 3.00250672
0.00002812 -0.00025088 0.00001228
-0.00383618 -0.01075892 0.00639179
17.72664886 -10.24989735 -14.37306371
-0.00035929 -0.00029513 -0.00003474
-0.02152729 -0.00111311 0.03011254
-2.01864628 1.82060527 -7.02744442
0.00024387 -0.00025619 0.00005779
0.00917737 0.00586807 -0.02284536
-4.24725552 -3.03597883 -15.62499531
-0.00031684 0.00004035 -0.00009419
0.00341936 0.01244683 -0.00523298
13.36471180 17.27736350 -20.01729271
0.00016687 0.00017227 0.00036104
0.01941279 0.02127893 -0.00250294
-16.15557309 16.08317315 -12.09974885
0.00039158 0.00009345 0.00009714
0.01281173 -0.00823115 -0.02646259
1.87780433 14.55195671 7.53596304
0.00064898 0.00028145 0.00006926
-0.03236915 -0.00113172 0.03422682
-5.33957387 -9.65433805 2.21264742
-0.00024673 -0.00001285 0.00012565
0.02813730 -0.01944884 0.00521307
3.08723998 -6.45033457 2.60018265
-0.00013047 -0.00004353 0.00029026
-0.00548480 -0.01211911 0.00553848
10.87130817 4.92416885 4.43601365
-0.00009748 0.00018535 -0.00016005
-0.02100966 0.01491406 0.01233533
-8.51975992 -9.66541732 -2.79860748
0.00003094 0.00013171 -0.00033467
-0.03428057 0.04773316 -0.02260218
3.13331221 -15.94045494 -13.18830643
-0.00010281 0.00014333 0.00019105
0.04727603 -0.04432591 0.03271885
4.80804688 -8.40803397 -5.53086700
-0.00008476 0.00022033 0.00037379
-0.00788249 -0.00288731 0.05642385
18.55508600 0.96608240 24.69371403
0.00000680 0.00014491 -0.00018167
-0.00857753 -0.01968856 0.00076144
-8.45251765 3.11159045 1.14804341
-0.00045158 -0.00004798 0.00014494
0.01871989 0.00296156 -0.01139506
-7.70531098 14.22284181 -10.44375115
0.00023227 -0.00001731 0.00037272
-0.03888029 -0.00963305 -0.01806816
1.71572328 11.41101697 -8.97843428
0.00005447 0.00014329 -0.00007127
-0.02816156 -0.01436438 -0.01620050
-11.72229756 10.08832087 -13.86510756
0.00019953 0.00014972 0.00009968
0.00808574 -0.01108147 0.01072876
6.99716906 4.41551911 14.70366377
-0.00048674 0.00022277 0.00018543
-0.00017235 -0.01980062 -0.00159931
-14.76786391 9.20930813 -9.09565394
-0.00039509 -0.00016306 0.00033988
-0.01879407 -0.00875498 -0.02448272
8.49875068 8.25671428 -3.09132417
0.00005690 -0.00024956 0.00012715
-0.01529454 -0.02371114 -0.03890937
13.75826564 -20.44110521 -25.82742511
0.00011384 -0.00006896 -0.00021874
-0.02092956 0.00481667 -0.01582123
6.26500113 6.60033297 2.58356811
-0.00026622 0.00015787 -0.00004163
-0.01593098 -0.03268227 0.02422197
19.09760180 -5.77717803 -6.63582594
-0.00015537 -0.00010708 -0.00023045
-0.00721303 -0.00504955 0.02200098
-1.68289419 -0.00632574 -2.65182591
0.00007895 -0.00019001 -0.00030746
0.00116189 -0.01327864 0.02546916
2.36152177 -1.87096050 -12.17269881
-0.00020788 0.00014402 0.00040507
-0.04203151 0.03817402 -0.00264719
20.27474579 9.36661843 -5.28592562
-0.00062964 -0.00006330 -0.00023489
0.01612022 -0.01675950 -0.00984040
-7.51924932 6.43277256 9.45745245
-0.00019845 -0.00011348 0.00009176
-0.01097937 -0.00496599 0.05064668
-2.60534448 -14.58581029 11.47146612
0.00024238 0.00012341 -0.00014751
-0.00977718 -0.00902749 0.00950716
8.12336362 0.29915729 -4.95427151
0.00000933 -0.00032645 0.00022585
0.00313412 0.03340889 0.02969222
-0.09634960 -10.16905265 0.38587592
-0.00016656 -0.00026618 -0.00030037
0.00946842 -0.01761857 0.00912883
-20.16580341 -1.30519214 4.77719583
-0.00011797 0.00021620 0.00004968
-0.00934169 0.01550877 -0.01962005
-4.60479943 7.62762796 -23.61335771
0.00018593 0.00017762 -0.00017645
-0.01887643 0.00359402 0.04233928
2.56819762 2.32803109 -1.17940833
0.00006056 -0.00023392 0.00036030
0.01608607 -0.04499248 -0.01121421
15.51847338 7.43823391 4.61791449
-0.00003760 -0.00015993 -0.00027444
0.00709902 0.02902065 0.01327030
-9.48778445 -4.67564420 7.69064529
-0.00015068 0.00003601 0.00145105
0.00790491 -0.00416199 0.01323304
-10.19703609 -3.82630644 5.02706687
0.00036457 -0.00079606 0.00020505
-0.00327628 -0.01155468 0.00952941
-12.82966919 4.77763749 8.55377109
-0.00009035 -0.00010879 -0.00025890
-0.00049681 -0.00866004 0.00074269
-13.70609263 1.92512242 8.63036761
-0.00085880 0.00031172 0.00006990
0.00597839 -0.00961874 -0.00769554
-15.32198521 1.99518226 5.10918048
-0.00038978 0.00118190 0.00059610
-0.00308908 -0.01501700 -0.02597669
-17.36312590 0.15330566 4.04326576
-0.00032447 0.00082424 -0.00042820
0.02129284 0.02270061 -0.01402738
3.14236858 -21.24455703 11.77594996
0.00057895 -0.00077281 -0.00017986
-0.00848605 -0.00484907 0.00045600
3.65918435 -19.76524454 14.30484047
-0.00024992 0.00100582 -0.00105832
-0.00755293 0.00270299 -0.01534332
8.65141228 18.78706796 1.16795621
0.00094712 -0.00059708 -0.00020263
0.00703221 0.00744243 -0.00516744
8.52593997 21.60151648 1.96861658
0.00032305 0.00106799 0.00039508
0.00045863 0.00364211 0.00390681
-11.04560718 11.67570797 16.47789027
-0.00081938 -0.00034398 0.00026435
-0.01353131 0.02539654 -0.01158969
-12.58866600 14.22513685 15.78056194
0.00012593 -0.00037915 -0.00018930
0.00317635 -0.00438268 0.00240813
-5.25273729 0.17140473 -13.22063045
0.00080178 -0.00050684 -0.00025223
-0.00520872 0.00524395 -0.00246654
-6.70448109 0.63297822 -10.80558195
-0.00003514 -0.00096164 0.00063453
-0.00569250 -0.00398676 0.02162091
-6.81515176 6.29880561 -4.98070226
-0.00023518 0.00003333 -0.00027886
-0.01142085 0.02185110 -0.01278461
-9.13831333 7.99206345 -5.42604554
0.00046389 0.00028822 -0.00005648
-0.00207364 -0.00284713 0.00217471
-8.33722381 -3.17383947 19.11158289
0.00106647 0.00008679 -0.00068410
0.00706466 -0.01266275 -0.01230969
-7.90999970 -6.07776950 18.49483427
-0.00060151 0.00043686 -0.00034390
-0.00333463 0.01955135 -0.00384787
-23.35733860 -3.51422440 -23.44825734
-0.00061985 -0.00011279 -0.00076396
0.00090818 0.02800236 -0.01003752
-23.00920794 -4.93000726 -20.87695712
0.00007647 -0.00099411 -0.00020067
-0.00644468 0.00856851 -0.01290357
6.76598186 13.27509896 4.32736596
0.00097719 -0.00029017 0.00013282
0.00912152 0.00360242 -0.01572027
8.21779204 11.83107706 6.51835220
0.00039642 0.00031022 -0.00017511
-0.02474802 0.01287901 -0.00991056
24.86918588 28.75472527 -2.26584855
0.00036090 -0.00019350 0.00011387
-0.00500371 0.01811474 -0.00266252
24.05377038 31.63912498 -1.64100678
0.00048775 -0.00041757 -0.00025246
0.00335671 -0.01406071 -0.01041772
9.33907625 -2.20822085 -15.07620758
-0.00070676 0.00038810 -0.00083954
-0.00305307 0.00372173 -0.00401831
7.99556491 -1.51943043 -12.81435355
0.00023909 -0.00200362 -0.00037850
-0.01033523 -0.00668185 0.02901460
-7.63585306 -0.06612849 16.05096710
-0.00108136 -0.00035968 -0.00000369
0.00741690 -0.01755454 -0.03084895
-8.71089039 -2.13434607 14.09749376
-0.00023780 0.00091727 0.00132192
0.01844681 0.01332534 0.01137816
-2.63318246 -26.64808423 12.83423358
0.00038210 -0.00012603 -0.00015930
0.00298145 -0.00864512 0.02644928
-3.19212700 -25.89966235 10.14092828
0.00049909 -0.00012494 0.00028724
0.01635126 -0.00180811 -0.00221560
-14.62300333 -2.88444605 -6.23736994
-0.00069098 -0.00018528 0.00000959
0.01129155 -0.00828693 -0.00806571
-14.77568062 -4.63379573 -8.69281529
0.00058454 -0.00034214 -0.00011584
-0.00044622 0.00066648 -0.00203126
-19.25908753 -11.13542818 -16.85802359
-0.00024484 -0.00084384 -0.00099286
-0.00780685 -0.01795821 -0.00742746
-18.45766080 -13.48022299 -18.24268732
0.00091173 0.00132610 0.00079984
-0.00185301 -0.00726909 0.00088606
23.97929674 3.37464338 1.60970441
0.00126660 0.00133616 0.00061228
-0.00887845 0.00477311 -0.00150581
22.88858871 5.14211100 3.88002128
0.00040875 -0.00000799 -0.00049972
0.00465075 0.00934907 0.00227811
16.19939858 -10.01707680 -13.28996770
0.00105257 -0.00036400 -0.00026456
0.02182929 0.00309936 -0.00522395
17.02880304 -10.02004386 -16.00877825
0.00006959 -0.00068007 0.00041047
0.00047870 0.00635641 -0.02287055
-0.47356304 2.20620713 -8.04657073
0.00050066 -0.00032417 0.00015292
-0.01068399 -0.00396913 0.01219194
-2.23759238 0.03200511 -7.30352224
-0.00009010 0.00008749 0.00150009
-0.00427894 0.00094674 -0.00554741
-5.58099914 -3.67089286 -16.69437095
0.00093305 -0.00103885 0.00022060
0.00068285 -0.00276410 -0.00060280
-3.57517614 -1.62341032 -16.62890137
-0.00088420 0.00049616 0.00004066
-0.00358554 -0.00680745 0.00032141
12.69007062 18.90011962 -20.65380562
-0.00089588 -0.00042323 0.00080478
0.00003922 -0.01270777 0.00073978
11.94177870 16.17097352 -20.10584731
-0.00037141 0.00023036 -0.00019028
-0.01268815 -0.00993951 -0.00462711
-15.23777893 15.66539665 -13.78874760
0.00028135 0.00012759 -0.00078733
-0.03062987 0.00393781 0.04448972
-17.74745991 15.08749999 -12.17491902
0.00111285 0.00008005 0.00052357
0.02114425 0.00781564 -0.00935145
2.68465118 14.96381887 5.94346777
-0.00060946 0.00014950 -0.00089468
-0.00769080 0.01421505 -0.00180799
0.61365705 15.77921944 8.25842196
-0.00034233 0.00070893 -0.00042727
0.02530160 -0.01732198 -0.02763182
-5.95484586 -8.30901029 1.21905630
0.00104352 -0.00065400 0.00107362
-0.01688686 0.02122443 -0.00846956
-3.54580398 -9.67284185 1.68533120
0.00001716 -0.00118385 0.00024537
-0.00442070 -0.00587825 0.00691656
2.43672287 -4.77574167 2.90986735
0.00156070 -0.00167150 -0.00016504
0.01491720 0.00934618 -0.00459076
4.48582445 -6.56005801 1.39169212
-0.00000841 -0.00052909 0.00031591
-0.00177368 0.01054369 0.00517294
9.19828831 5.72979559 4.12552156
0.00070007 -0.00020482 -0.00086826
0.01757448 -0.00291895 -0.00517102
12.07719154 6.29152168 4.74262224
-0.00007004 0.00041567 -0.00003194
0.00120088 -0.00152800 -0.00145793
-7.36297834 -10.95016721 -2.52133942
-0.00032060 0.00100460 -0.00068728
0.02030606 -0.03382096 0.01906844
-9.73458824 -9.25727254 -1.48070025
0.00056755 0.00004463 -0.00043993
0.00853117 -0.01366755 0.00231106
4.56809377 -16.56478703 -14.21327395
0.00067297 0.00014324 -0.00060391
-0.01791006 0.01660322 -0.00008708
3.75139105 -17.02006615 -11.64385360
0.00115991 -0.00068403 -0.00046760
-0.03766679 0.03222723 -0.03229375
5.72267351 -6.92615062 -5.94087497
-0.00045258 -0.00017968 -0.00001751
0.01572604 0.02370077 -0.02229588
5.02217500 -8.16375872 -3.64356006
0.00002148 0.00038580 0.00051949
-0.00958307 -0.01844484 -0.03119468
16.78476051 1.51508463 24.65576652
0.00029026 0.00105804 0.00036997
0.01326067 0.01011298 -0.00301638
19.82607727 2.30692902 24.64455194
-0.00043467 0.00031234 -0.00115856
-0.00899888 0.00735247 0.00499494
-9.75564001 3.69049338 2.33699279
0.00003956 0.00158662 0.00003170
-0.01075122 -0.00433955 0.00516735
-7.52935173 4.67451749 0.88447775
0.00048249 -0.00087808 0.00048062
0.00441955 -0.00279805 -0.00118406
-6.44968147 14.29478612 -9.21603568
0.00017016 -0.00068164 0.00028923
0.03108150 0.00561048 0.02679130
-9.21885031 13.74696986 -9.46239236
0.00115896 -0.00005995 -0.00044786
0.00804480 0.00235622 -0.00898657
0.23266128 10.90783109 -7.98819024
0.00089877 0.00013546 0.00113817
0.00776228 -0.00198436 -0.00373233
2.58501042 12.44615867 -7.80952833
-0.00023429 -0.00123173 0.00029240
0.01929673 0.01592197 0.01780414
-10.18530725 9.00048218 -13.78134355
-0.00002601 0.00065715 -0.00016481
-0.02259630 0.01221590 0.00569401
-12.65285560 9.93926831 -12.24379885
0.00048915 0.00009470 -0.00152787
0.01333881 -0.00619127 -0.01345853
7.25733404 6.16219325 15.09003087
0.00028685 -0.00009010 -0.00183368
0.00046971 0.00867370 -0.01246626
7.19669929 4.22282190 12.86896909
0.00035045 0.00107265 -0.00015833
0.00694397 0.00456774 0.00763255
-13.81384736 10.64035092 -8.49589918
0.00039131 -0.00098585 -0.00051342
0.00653258 0.01641565 0.01269253
-16.26688750 9.93718314 -9.90430732
0.00079506 -0.00030731 -0.00007582
0.00482495 -0.00990825 0.01060090
8.43487536 9.83429534 -2.27811824
-0.00092690 0.00035329 -0.00080098
-0.00165642 0.02845383 0.01183831
7.33986355 8.47622882 -4.57928120
0.00029960 0.00023297 -0.00165603
0.01741981 0.00302669 0.03111588
12.05655140 -20.22924335 -26.57250787
0.00016567 0.00051371 0.00078677
0.02013972 -0.00247994 0.01281727
13.63929378 -19.93521239 -24.03862030
0.00045796 -0.00104942 -0.00043429
-0.00351784 -0.00245065 0.00265576
5.70225474 4.72614861 2.63077186
0.00064823 0.00080527 -0.00109876
0.01478836 0.03744534 -0.01407665
6.35524284 7.31453291 0.92295042
0.00023526 0.00013414 -0.00050273
0.00207990 -0.01005821 -0.01173051
20.52052004 -6.48701302 -5.70866502
-0.00072633 0.00051978 -0.00058262
-0.01067758 0.00357129 -0.00376855
17.77827059 -5.28892325 -5.39330926
-0.00078305 0.00012674 0.00031321
0.01079512 0.00133495 -0.01085950
-2.72561883 0.33800941 -1.19896518
0.00065879 0.00067779 0.00119769
-0.00018778 -0.00345609 0.01352927
-2.50289643 0.96631879 -3.93809222
-0.00015589 -0.00029404 0.00003432
0.00630786 0.00981761 -0.02116188
3.50949256 -3.19456696 -12.15886211
0.00031183 0.00001605 -0.00018492
0.03084798 -0.03816577 0.00115400
0.65097139 -2.47471106 -11.51924763
0.00097904 -0.00046081 -0.00059218
0.02230072 -0.00038785 -0.00425968
19.44540139 8.34716439 -6.61823153
-0.00102966 0.00086083 0.00087396
0.01910893 0.00764548 0.01488193
21.95995804 8.56768440 -4.73899529
-0.00019473 0.00001019 -0.00025260
-0.02905344 0.01039147 -0.01221404
-7.46234706 4.66845598 8.90469577
0.00051351 -0.00017524 0.00016122
0.00294550 -0.00301816 0.00529347
-7.58362191 6.23870241 11.38851209
-0.00067467 0.00007158 0.00026488
-0.00081658 0.00635522 -0.04783262
-3.12422885 -16.36894099 11.39865054
-0.00062528 0.00026972 -0.00096585
0.00457474 0.01640208 -0.00097499
-4.15716033 -13.62609874 11.68679896
0.00002798 -0.00073668 -0.00047558
0.00434830 -0.00963667 -0.00471257
8.44308513 0.54224031 -3.10173093
0.00042098 0.00022151 -0.00065699
-0.00624911 -0.00961612 -0.03193309
7.80543917 2.08799760 -5.65352178
0.00009839 0.00013515 -0.00083141
0.00127154 -0.02778001 0.00447117
1.22675714 -10.67509563 1.60650236
-0.00038412 -0.00019065 0.00027929
-0.01821582 -0.00262716 0.00040230
0.11554738 -8.37559512 0.32691508
-0.00023449 -0.00038892 0.00034120
0.00229298 0.01270355 -0.01089165
-20.12404376 -1.34731255 6.59729696
-0.00048843 -0.00032624 0.00011598
0.00413165 -0.00730820 0.02216890
-21.18821231 0.22595431 4.43479972
-0.00113087 0.00093685 0.00006024
0.00848424 -0.00914208 -0.00281943
-3.84679519 8.38540170 -25.03886849
-0.00004765 -0.00037071 -0.00157168
0.02010340 0.00806814 -0.03320033
-4.47036091 9.04351248 -22.43888024
-0.00042579 -0.00012055 0.00126798
-0.00193757 -0.01393307 0.00168257
3.86216973 1.01061601 -0.91351603
0.00046219 0.00085057 0.00000697
-0.00155556 0.02352848 -0.00020537
1.25300580 1.14266076 -1.89290603
0.00038143 -0.00119168 0.00094509
-0.00750032 0.02535913 0.00270314
15.90273607 7.54257724 6.48737944
-0.00054982 0.00058084 0.00001230
-0.00465003 0.00347877 -0.03385475
15.85867385 9.14147970 3.85363635
0.00006240 -0.00114746 0.00057639
-0.00494978 -0.02809841 0.01530712
-0.33614810 -11.81771071 -13.25976599
0.00009245 -0.00001078 0.00023161
0.01117518 -0.00073321 -0.00155941
-13.93998017 14.48268676 22.19284980
-0.00001795 -0.00012407 0.00014912
-0.00147127 -0.00249755 0.00071466
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02921063
0.35008370
466.46898186
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569040698
ExchangeOperator: pair fraction: ispin=0: 0.1375662520
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3154448484 (a.u.)
total exchange computation time: 2.6723721027 s
-153.9931551788
-931.38068572
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569040698
ExchangeOperator: pair fraction: ispin=0: 0.1375662520
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3159374511 (a.u.)
total exchange computation time: 2.6737780571 s
-153.9899168716
Anderson extrapolation: theta=1.3454072312 (1.3454072312)
-931.38089370
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569040698
ExchangeOperator: pair fraction: ispin=0: 0.1375662520
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3165409612 (a.u.)
total exchange computation time: 2.6736190319 s
-153.9860111021
Anderson extrapolation: theta=0.0505899027 (0.0505899027)
-931.38101647
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569040698
ExchangeOperator: pair fraction: ispin=0: 0.1375662520
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3165173329 (a.u.)
total exchange computation time: 2.6733019352 s
-153.9862463980
Anderson extrapolation: theta=1.9349081397 (1.9349081397)
-931.38102088
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569040698
ExchangeOperator: pair fraction: ispin=0: 0.1375662520
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3164458275 (a.u.)
total exchange computation time: 2.6726949215 s
-153.9868311779
Anderson extrapolation: theta=0.2208398654 (0.2208398654)
-931.38102555
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569040698
ExchangeOperator: pair fraction: ispin=0: 0.1375662520
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3164179259 (a.u.)
total exchange computation time: 2.6735100746 s
-153.9869885068
Anderson extrapolation: theta=1.9042315074 (1.9042315074)
-931.38102646
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569040698
ExchangeOperator: pair fraction: ispin=0: 0.1375662520
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3163742743 (a.u.)
total exchange computation time: 2.6722600460 s
-153.9871661895
Anderson extrapolation: theta=0.2936753850 (0.2936753850)
-931.38102759
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569040698
ExchangeOperator: pair fraction: ispin=0: 0.1375662520
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3163723439 (a.u.)
total exchange computation time: 2.6730971336 s
-153.9870996112
Anderson extrapolation: theta=1.3245361386 (1.3245361386)
-931.38102787
-208.912436 49.983456 -204.206206
-133.438542 460.281009 -800.100284
-342.350977 510.264465 -1004.306490
1177.372303
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0569040698
ExchangeOperator: pair fraction: ispin=0: 0.1375662520
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3163783446 (a.u.)
total exchange computation time: 2.6713049412 s
678.06028737
-1082.01202432
89.85864988
-390.28967152
-174.68189116
77.31423035
551.60419304
0.00000000
-931.38102809
-10.92578247 -4.26370842 6.69274864
0.00003384 -0.00007043 -0.00019498
0.00769041 0.00020213 -0.01147776
-13.99188980 3.59524969 9.31569345
0.00035488 0.00020317 -0.00028359
-0.01035155 0.02344387 0.01121203
-15.94205379 1.38501792 3.42709587
-0.00002173 0.00011860 -0.00009692
-0.01978309 -0.00099710 0.04039729
2.56203325 -19.83367368 12.81109672
0.00030143 0.00003447 0.00018047
0.00968191 0.00015963 0.00450497
9.61685255 20.37088041 1.13985834
-0.00015152 -0.00008856 0.00040791
-0.01021092 -0.00376572 -0.00281201
-12.07101206 12.56615090 15.17071911
-0.00022195 0.00000796 0.00017511
0.02574428 -0.00897066 0.00679530
-6.23761540 1.45475412 -12.36676001
0.00015622 0.00001880 -0.00045220
0.00772209 -0.00716493 -0.01124116
-7.41750105 7.78363692 -5.97396685
-0.00010495 -0.00012870 -0.00016635
0.01177929 -0.02345986 0.00149682
-7.73658880 -4.33919979 17.79932643
-0.00018477 0.00001916 0.00011670
0.00016352 -0.02279984 0.01802201
-23.53732756 -5.08908953 -22.63255857
-0.00015046 -0.00030912 -0.00014369
-0.00267705 -0.02923673 0.01737177
6.60741374 12.76867577 6.04686165
-0.00012653 0.00000607 -0.00000368
0.02522512 -0.01868605 0.02051613
24.74614080 30.48685692 -2.94568132
0.00012072 0.00029305 -0.00015090
-0.00277138 -0.01147566 0.01027911
7.91690706 -1.08770375 -14.53856957
0.00002440 0.00043270 -0.00013636
0.00361613 0.00577181 -0.00744042
-7.31817938 -0.92321237 14.35191001
-0.00017850 0.00005445 -0.00031357
-0.01852794 0.01223573 0.00855425
-1.76749595 -26.21611829 11.29257314
0.00019981 0.00010577 -0.00018014
-0.01478960 0.00868058 -0.03203799
-14.06709405 -4.49825174 -7.00340982
0.00018564 0.00026835 0.00010759
-0.00888443 0.00291562 0.00236601
-20.01230961 -12.62420120 -17.73012335
0.00000593 -0.00008945 0.00024716
0.01356927 0.01911965 0.00346076
22.75511649 3.57001707 3.00271559
0.00002681 -0.00025593 0.00001516
-0.00126379 -0.00889566 0.00478665
17.72117649 -10.25432855 -14.37346865
-0.00036806 -0.00029615 -0.00001933
-0.01259990 -0.00288016 0.02979701
-2.01495290 1.81678500 -7.02666569
0.00024872 -0.00025205 0.00004623
0.00970639 0.01022713 -0.02212830
-4.25199494 -3.03532551 -15.62642828
-0.00031395 0.00004735 -0.00009605
0.00780815 0.01476260 -0.00201510
13.36728980 17.28002960 -20.01188681
0.00017592 0.00018212 0.00035975
0.01577303 0.01702662 -0.00251333
-16.14964994 16.08454322 -12.09839388
0.00039938 0.00008968 0.00008296
0.01752029 -0.00645079 -0.02865151
1.88741422 14.55617413 7.53713392
0.00063184 0.00028179 0.00008664
-0.03431559 0.00244928 0.03337057
-5.34316624 -9.65460581 2.21455233
-0.00023073 -0.00002548 0.00013011
0.03408226 -0.02968787 0.01212032
3.08526183 -6.45103426 2.60455788
-0.00013155 -0.00005382 0.00029208
0.00128854 -0.02789052 0.00155090
10.86976498 4.92700659 4.43366049
-0.00010692 0.00019288 -0.00015348
-0.01573311 0.01439369 0.01321874
-8.51942800 -9.66325748 -2.80371471
0.00001240 0.00015759 -0.00034717
-0.03781124 0.05288399 -0.02600302
3.13195247 -15.93847604 -13.18531449
-0.00007699 0.00011984 0.00020696
0.05313111 -0.04701734 0.02914044
4.80674510 -8.40474010 -5.52504243
-0.00008922 0.00021818 0.00040311
-0.00945162 -0.00549956 0.05757160
18.55515485 0.96818009 24.69099196
0.00000223 0.00013500 -0.00018134
-0.00917742 -0.01885082 0.00051180
-8.45921911 3.11088213 1.15017352
-0.00044224 -0.00004671 0.00013932
0.01757884 0.00200148 -0.01043619
-7.70197691 14.22254495 -10.43823003
0.00021393 -0.00002174 0.00036239
-0.03244600 -0.00756713 -0.02212464
1.71643165 11.41311091 -8.97956578
0.00003930 0.00013522 -0.00008006
-0.03081062 -0.01700150 -0.01800039
-11.71927346 10.09052387 -13.86357092
0.00020428 0.00014473 0.00010283
0.01040768 -0.00831576 0.00152227
6.98986731 4.41878435 14.70643911
-0.00048676 0.00021173 0.00018331
0.00007044 -0.02316282 -0.00664180
-14.77386279 9.20682845 -9.09065022
-0.00040388 -0.00016891 0.00032774
-0.01537841 -0.01397730 -0.02270811
8.49954514 8.25287947 -3.08956696
0.00004796 -0.00026090 0.00010593
-0.01946121 -0.02039614 -0.04363520
13.75989250 -20.44212107 -25.83076723
0.00010367 -0.00006672 -0.00022717
-0.01860909 0.00391013 -0.01694963
6.26094645 6.60257493 2.58303713
-0.00027393 0.00014246 -0.00003042
-0.01407416 -0.02723788 0.01935584
19.09524342 -5.77880375 -6.63919775
-0.00016133 -0.00010867 -0.00021913
-0.01595655 -0.00112114 0.02200415
-1.68170549 -0.00922705 -2.65633960
0.00007869 -0.00019675 -0.00029238
-0.00218327 -0.01294108 0.03319562
2.35824140 -1.86865293 -12.16663296
-0.00022706 0.00016290 0.00040320
-0.03255924 0.03522329 -0.00461690
20.26536337 9.36560434 -5.28948696
-0.00062020 -0.00007084 -0.00023836
0.02060884 -0.01258313 -0.00364315
-7.52226837 6.43105114 9.45902419
-0.00020408 -0.00011603 0.00011779
-0.01091841 -0.00492573 0.05058632
-2.60174647 -14.58399398 11.46929009
0.00023743 0.00011810 -0.00014276
-0.00949081 -0.01160092 0.00897947
8.12351564 0.29438947 -4.95076930
0.00001063 -0.00030856 0.00023939
0.00194246 0.03615132 0.02296663
-0.09881145 -10.17311328 0.38140565
-0.00016148 -0.00027550 -0.00029529
0.01026038 -0.01861313 0.01062355
-20.16760905 -1.30188925 4.77786541
-0.00012374 0.00022552 0.00003956
-0.01309214 0.02073301 -0.01976015
-4.60208327 7.63030618 -23.61584107
0.00017685 0.00018050 -0.00015528
-0.01645538 0.00759623 0.03998403
2.56916810 2.32434876 -1.17404709
0.00006812 -0.00025649 0.00035427
0.01329283 -0.04277991 -0.01225121
15.51793670 7.43594691 4.61384907
-0.00003421 -0.00014656 -0.00026641
0.00610375 0.02297424 0.01794684
-9.48980243 -4.67523156 7.71281651
-0.00012873 0.00002261 0.00149631
0.00283899 -0.00239952 0.00892495
-10.19166789 -3.83860140 5.03043468
0.00035445 -0.00084187 0.00023999
-0.00167722 -0.01086905 0.00757379
-12.83103971 4.77574031 8.54991030
-0.00008714 -0.00014018 -0.00025954
0.00206757 -0.00670768 -0.00105627
-13.71879143 1.92950346 8.63118026
-0.00083242 0.00026642 0.00003609
0.00693226 -0.01255487 -0.00885557
-15.32792650 2.01245066 5.11732599
-0.00040572 0.00111668 0.00048140
-0.00471797 -0.01691066 -0.03017162
-17.36734044 0.16636490 4.03641299
-0.00023917 0.00091413 -0.00048377
0.02045945 0.02130233 -0.01317898
3.15079275 -21.25629775 11.77326604
0.00053986 -0.00078284 -0.00017047
-0.01064723 -0.00006385 0.00413909
3.65520403 -19.75007448 14.28849553
-0.00026964 0.00101688 -0.00110575
-0.00209756 0.00271355 -0.00787438
8.66583458 18.77833976 1.16475846
0.00097181 -0.00056583 -0.00022213
0.00505217 0.00785506 -0.00437987
8.53079977 21.61764787 1.97466244
0.00032665 0.00107483 0.00040818
0.00130590 -0.00029033 0.00250888
-11.05831259 11.67132647 16.48150032
-0.00087348 -0.00024045 0.00021793
-0.01295099 0.02528209 -0.01113132
-12.58667969 14.21931527 15.77779619
0.00013643 -0.00038962 -0.00017645
0.00196153 -0.00074211 0.00388248
-5.24087021 0.16396289 -13.22448953
0.00077542 -0.00047899 -0.00025826
-0.00769632 0.00838489 -0.00048142
-6.70518258 0.61843150 -10.79540150
-0.00005318 -0.00096794 0.00070472
-0.00313934 0.00090168 0.01273746
-6.81902941 6.29997519 -4.98527684
-0.00028059 0.00011975 -0.00032918
-0.01080932 0.02044860 -0.01185065
-9.13141855 7.99629955 -5.42682610
0.00044850 0.00027773 -0.00004526
-0.00546107 -0.00229008 0.00331754
-8.32101033 -3.17292568 19.10094415
0.00109053 0.00004309 -0.00072398
0.00471619 -0.00872818 -0.00721033
-7.91912451 -6.07061749 18.48955790
-0.00061572 0.00051081 -0.00035662
-0.00362402 0.01664727 -0.00237817
-23.36660850 -3.51505823 -23.46002435
-0.00061657 -0.00000535 -0.00079959
0.00069470 0.02459084 -0.00740278
-23.00825844 -4.94465639 -20.88036256
0.00005085 -0.00095693 -0.00025283
-0.00609316 0.00963391 -0.01263041
6.78091916 13.27085680 4.32887655
0.00101314 -0.00027400 0.00006662
0.00847914 0.00431138 -0.01668640
8.22298001 11.83612506 6.51542178
0.00029283 0.00036344 -0.00021443
-0.02595865 0.01317012 -0.00933542
24.87444602 28.75237789 -2.26422210
0.00034001 -0.00011305 0.00009951
-0.00522017 0.02126298 -0.00436882
24.06118950 31.63243061 -1.64511285
0.00049816 -0.00046902 -0.00028915
0.00173759 -0.01112362 -0.00754326
9.32838131 -2.20228534 -15.08892381
-0.00071581 0.00040207 -0.00085843
-0.00137649 0.00311806 -0.00522868
7.99883459 -1.54968951 -12.81914202
0.00019612 -0.00202864 -0.00026727
-0.01070032 -0.00556636 0.02543470
-7.65184611 -0.07206168 16.04996638
-0.00104709 -0.00042918 -0.00013123
0.00935719 -0.01646229 -0.03158199
-8.71389212 -2.12017874 14.11767117
-0.00016993 0.00096263 0.00136284
0.01477831 0.00887924 0.00865572
-2.62735960 -26.65023958 12.83265463
0.00039443 -0.00016130 -0.00005183
0.00305431 -0.00862040 0.02615746
-3.18413952 -25.90159183 10.14516904
0.00055985 -0.00013088 0.00027340
0.01338862 -0.00110117 -0.00456206
-14.63302205 -2.88747913 -6.23747317
-0.00064528 -0.00021689 -0.00002266
0.01107767 -0.00718907 -0.00772561
-14.76692618 -4.63890745 -8.69461512
0.00058300 -0.00033882 -0.00012239
-0.00030810 0.00095996 -0.00117457
-19.26299943 -11.14863601 -16.87314409
-0.00027306 -0.00090126 -0.00101334
-0.00600264 -0.01015071 -0.00259667
-18.44404158 -13.46055418 -18.23066258
0.00090293 0.00129260 0.00080139
-0.00245772 -0.00913041 -0.00012737
23.99802369 3.39483198 1.61884241
0.00122648 0.00135206 0.00060789
-0.01076286 0.00301092 -0.00063944
22.89486245 5.14227757 3.87259531
0.00042578 0.00002997 -0.00048822
0.00368514 0.00923561 0.00334970
16.21585601 -10.02244189 -13.29409616
0.00112788 -0.00034923 -0.00027688
0.01503559 0.00413248 -0.00080906
17.02986156 -10.03005009 -16.00332201
0.00006734 -0.00065259 0.00030807
-0.00158078 0.00709576 -0.02725584
-0.46638048 2.20122299 -8.04390327
0.00045563 -0.00034182 0.00020300
-0.01136027 -0.00467414 0.01232039
-2.23907493 0.03334647 -7.28119087
-0.00010728 0.00008374 0.00147492
-0.00413129 -0.00278347 -0.00677296
-5.56698250 -3.68656036 -16.69108044
0.00092741 -0.00105378 0.00021129
-0.00344168 -0.00454068 -0.00395493
-3.58854904 -1.61617651 -16.62828168
-0.00089919 0.00046706 0.00004217
-0.00375070 -0.00743984 0.00041888
12.67663368 18.89338170 -20.64171126
-0.00089513 -0.00046896 0.00080601
0.00032572 -0.00967683 -0.00013740
11.93581875 16.17412434 -20.10884326
-0.00041629 0.00019222 -0.00020811
-0.00928147 -0.00873009 -0.00410431
-15.23449730 15.66743113 -13.79919429
0.00015419 0.00014451 -0.00060083
-0.03161372 0.00434527 0.04680370
-17.73011921 15.08894024 -12.16735203
0.00119160 0.00010782 0.00048503
0.01740288 0.00577550 -0.00951306
2.67527361 14.96649694 5.92999223
-0.00064203 0.00020547 -0.00089865
-0.00825171 0.01318400 -0.00013721
0.60929743 15.78932253 8.25116612
-0.00023399 0.00063243 -0.00054164
0.02773269 -0.02012120 -0.02835166
-5.93971052 -8.31816992 1.23490113
0.00096558 -0.00054681 0.00102419
-0.02126779 0.03124644 -0.01572884
-3.54568205 -9.69077975 1.68922364
-0.00000373 -0.00120710 0.00027404
-0.00580501 -0.00550131 0.00711752
2.46059044 -4.80052774 2.90725107
0.00160814 -0.00160018 -0.00017793
0.00830684 0.02556514 -0.00171915
4.48564394 -6.56767127 1.39658935
-0.00001649 -0.00048690 0.00033827
-0.00218267 0.01010936 0.00577190
9.20932787 5.72663379 4.11233915
0.00076279 -0.00021262 -0.00089020
0.01312988 -0.00089834 -0.00556901
12.07617774 6.29770994 4.74209846
-0.00006703 0.00040707 -0.00003823
0.00027370 -0.00268335 -0.00162140
-7.36716513 -10.93613462 -2.53106427
-0.00022570 0.00085408 -0.00060659
0.02614918 -0.03985704 0.02043056
-9.72581356 -9.25702187 -1.48722836
0.00059825 -0.00000968 -0.00042579
0.00649556 -0.01291756 0.00461146
4.57763942 -16.56212973 -14.22233527
0.00058983 0.00021544 -0.00059769
-0.02278340 0.01874066 0.00313291
3.76763541 -17.02933899 -11.65185716
0.00100371 -0.00055094 -0.00059908
-0.03879389 0.03292082 -0.03206504
5.71636676 -6.92811956 -5.94182086
-0.00038530 -0.00007806 -0.00010966
0.01720397 0.02604122 -0.02281037
5.02220355 -8.15853688 -3.63672363
-0.00001746 0.00031075 0.00039063
-0.00948073 -0.01829171 -0.03188424
16.78952076 1.53126513 24.66122366
0.00034297 0.00109728 0.00035739
0.01254115 0.00909726 -0.00314391
19.81928142 2.31183935 24.62732658
-0.00046908 0.00034262 -0.00113749
-0.00784128 0.00747135 0.00532053
-9.75537608 3.71415973 2.33762660
-0.00000431 0.00156636 0.00005211
-0.01072460 -0.00557657 0.00482639
-7.52197890 4.66126058 0.89165073
0.00050326 -0.00088592 0.00047362
0.00574414 -0.00104010 -0.00223996
-6.44617659 14.28473339 -9.21087621
0.00029801 -0.00065873 0.00039881
0.03149847 0.00560605 0.02684562
-9.20121944 13.74614286 -9.46938569
0.00117813 -0.00005416 -0.00047635
0.00134230 0.00047421 -0.00495956
0.24638062 10.90980215 -7.97123203
0.00092759 0.00012552 0.00112055
0.00634841 -0.00288126 -0.00489166
2.58208736 12.42817058 -7.80459668
-0.00014729 -0.00115917 0.00037097
0.02329048 0.01959939 0.02065438
-10.18638986 9.01071377 -13.78364118
-0.00011318 0.00070306 -0.00014095
-0.02007318 0.01025642 0.00598193
-12.64510966 9.94049912 -12.26712927
0.00053408 0.00006801 -0.00156504
0.00865610 -0.00687513 -0.00473713
7.26165114 6.16110757 15.06214368
0.00028986 -0.00004402 -0.00187787
0.00100327 0.01388078 -0.00916456
7.20216884 4.23905165 12.86682808
0.00037732 0.00108707 -0.00012317
0.00620615 0.00249206 0.00957712
-13.80777756 10.62606620 -8.50321152
0.00042124 -0.00091310 -0.00045971
0.00811892 0.01919552 0.01359925
-16.25481378 9.93226981 -9.90511976
0.00080450 -0.00034272 -0.00003765
-0.00020231 -0.00742521 0.00808074
8.42092109 9.84046654 -2.28977023
-0.00093305 0.00046619 -0.00075364
-0.00135573 0.02681487 0.01133713
7.34489140 8.47981618 -4.60316816
0.00037858 0.00024198 -0.00151827
0.02123918 0.00138230 0.03631726
12.05965357 -20.22161364 -26.56031358
0.00024289 0.00050387 0.00083581
0.01765941 -0.00233926 0.01118971
13.64605534 -19.95102875 -24.04505327
0.00044382 -0.00105747 -0.00041763
-0.00340173 -0.00149136 0.00550121
5.71243130 4.73937517 2.61385911
0.00070544 0.00094993 -0.00115407
0.01321692 0.03336476 -0.01299576
6.35883546 7.31623681 0.91504996
0.00024379 0.00009119 -0.00054341
0.00209353 -0.01096739 -0.00818073
20.50929792 -6.47910681 -5.71751983
-0.00075917 0.00052898 -0.00059106
-0.00540045 0.00093235 -0.00036131
17.76685558 -5.28698121 -5.38894383
-0.00073199 0.00012967 0.00026174
0.01419834 0.00009675 -0.01433609
-2.71574271 0.34807029 -1.18058518
0.00066619 0.00066061 0.00123896
0.00380919 -0.00495090 0.00667250
-2.50504143 0.96220906 -3.93822585
-0.00013165 -0.00025206 -0.00005263
0.00555718 0.01073259 -0.02140196
3.51511526 -3.19549575 -12.16160059
0.00043126 -0.00013141 -0.00018087
0.02761657 -0.03401717 0.00082839
0.66634028 -2.48163504 -11.52826082
0.00105878 -0.00046456 -0.00060471
0.01673602 -0.00144756 -0.00187306
19.43054204 8.36031112 -6.60466608
-0.00095745 0.00088294 0.00092288
0.01624026 0.00317823 0.00906212
21.95614674 8.56815566 -4.74315861
-0.00031616 0.00005294 -0.00030319
-0.03038598 0.01053655 -0.01254843
-7.45455408 4.66573483 8.90727622
0.00052551 -0.00018732 0.00018327
0.00292475 -0.00289278 0.00550116
-7.59376692 6.23997079 11.39101958
-0.00067758 0.00009723 0.00006886
-0.00061105 0.00620254 -0.04812224
-3.13346779 -16.36439251 11.38413298
-0.00060388 0.00033680 -0.00096968
0.00589907 0.01643028 -0.00090160
-4.15660738 -13.63744427 11.67952080
0.00004235 -0.00077120 -0.00049406
0.00268460 -0.00725912 -0.00433029
8.44920837 0.54526828 -3.11256434
0.00039657 0.00018333 -0.00077757
-0.00570085 -0.00907387 -0.02709172
7.80695395 2.08917357 -5.66585591
0.00010454 0.00001580 -0.00080950
0.00173932 -0.03064441 0.00625447
1.22043712 -10.67803590 1.61070407
-0.00046000 -0.00020149 0.00027868
-0.01892613 -0.00267891 -0.00070294
0.11210025 -8.38103969 0.33169925
-0.00022536 -0.00033488 0.00029607
0.00217553 0.01374961 -0.01119675
-20.13124364 -1.35243017 6.59971595
-0.00047176 -0.00035499 0.00020356
0.00402835 -0.00676176 0.02070400
-21.20491539 0.23972689 4.43561687
-0.00108783 0.00088828 0.00005173
0.01258577 -0.01463115 -0.00134417
-3.84689393 8.38008826 -25.06346110
0.00002835 -0.00034012 -0.00169111
0.01709902 0.00690515 -0.02525978
-4.47680712 9.04127728 -22.41980904
-0.00043252 -0.00018308 0.00126376
-0.00135638 -0.01667525 -0.00374845
3.86905497 1.02409549 -0.91341779
0.00046147 0.00094113 0.00000733
0.00120222 0.02080197 0.00038344
1.25849735 1.12556258 -1.87864680
0.00035146 -0.00108620 0.00095587
-0.00716806 0.02627518 0.00257263
15.89434633 7.55139640 6.48652655
-0.00056901 0.00059268 -0.00012717
-0.00474584 0.00232072 -0.03441950
15.85945814 9.12340677 3.86275121
0.00004430 -0.00124812 0.00063094
-0.00391083 -0.02117294 0.01139628
-0.33473136 -11.81787445 -13.25629605
0.00009646 -0.00001101 0.00023107
0.01124163 -0.00054411 -0.00147259
-13.94025202 14.48082133 22.19508778
-0.00001830 -0.00012464 0.00014930
-0.00152449 -0.00241021 0.00085547
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02923521
0.35179287
468.74636791
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1368307193
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3332030661 (a.u.)
total exchange computation time: 2.7765519619 s
-154.0734336326
-931.38082326
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1368307193
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3335190105 (a.u.)
total exchange computation time: 2.7804539204 s
-154.0715492285
Anderson extrapolation: theta=1.3904942284 (1.3904942284)
-931.38104255
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1368307193
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3338761253 (a.u.)
total exchange computation time: 2.7785642147 s
-154.0695479378
Anderson extrapolation: theta=0.0663895886 (0.0663895886)
-931.38118049
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1368307193
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3338278942 (a.u.)
total exchange computation time: 2.7757110596 s
-154.0699870595
Anderson extrapolation: theta=2.2879373862 (2.0000000000)
-931.38118800
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1368307193
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3337007882 (a.u.)
total exchange computation time: 2.7760128975 s
-154.0710359883
Anderson extrapolation: theta=0.3928192168 (0.3928192168)
-931.38119786
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1368307193
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3336428407 (a.u.)
total exchange computation time: 2.7766449451 s
-154.0714401607
Anderson extrapolation: theta=1.0886844725 (1.0886844725)
-931.38120060
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1368307193
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3335917152 (a.u.)
total exchange computation time: 2.7763328552 s
-154.0717290549
Anderson extrapolation: theta=0.5085212880 (0.5085212880)
-931.38120271
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1368307193
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3335813143 (a.u.)
total exchange computation time: 2.7761399746 s
-154.0717146459
Anderson extrapolation: theta=0.7962946474 (0.7962946474)
-931.38120348
-208.872664 49.956924 -204.229920
-133.385742 460.289902 -800.165586
-342.258407 510.246826 -1004.395506
1177.413679
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1368307193
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3335857012 (a.u.)
total exchange computation time: 2.6862218380 s
678.30922900
-1082.56957325
89.84969685
-389.91040432
-174.72656644
77.62564517
551.60419304
0.00000000
-931.38120387
-10.92524517 -4.26476410 6.68977959
0.00003859 -0.00007093 -0.00019905
0.01077152 -0.00213152 -0.00431718
-13.98660660 3.59838774 9.31148287
0.00034870 0.00021529 -0.00027705
-0.01366240 0.02366567 0.01421912
-15.94245600 1.38679301 3.42579794
-0.00003121 0.00011889 -0.00007555
-0.01708646 0.00213554 0.04270147
2.56659203 -19.83315596 12.81382109
0.00030526 0.00003342 0.00017987
0.00520956 -0.00427335 -0.00682205
9.61454031 20.36953752 1.14596619
-0.00015652 -0.00008961 0.00040663
-0.00923591 -0.00032662 -0.00218449
-12.07424204 12.56623573 15.17337192
-0.00020867 0.00000244 0.00017799
0.02589366 -0.01250829 0.00441768
-6.23524227 1.45500848 -12.37358634
0.00016011 0.00001323 -0.00045621
0.00738046 -0.01450852 -0.00434043
-7.41902988 7.78161587 -5.97645627
-0.00009827 -0.00014042 -0.00016617
0.01418201 -0.02210773 -0.00080603
-7.73935979 -4.33900029 17.80114652
-0.00018393 0.00000721 0.00012413
0.00312667 -0.02368278 0.01087176
-23.53959486 -5.09383909 -22.63464694
-0.00015184 -0.00032330 -0.00013569
-0.00267598 -0.02590324 0.01375502
6.60561313 12.76869481 6.04688565
-0.00011316 -0.00000366 0.00000672
0.02674696 -0.01915226 0.01992153
24.74794098 30.49120840 -2.94790515
0.00011973 0.00028565 -0.00014613
-0.00108506 -0.01729903 0.00827992
7.91728703 -1.08119099 -14.54064367
0.00002597 0.00043542 -0.00013869
0.00249625 0.00481521 -0.00160069
-7.32092835 -0.92234846 14.34723948
-0.00018740 0.00006160 -0.00030849
-0.01606330 0.01556282 0.01118278
-1.76455579 -26.21449822 11.28974742
0.00019283 0.00010987 -0.00019568
-0.01235361 0.00725994 -0.02836783
-14.06434374 -4.49421530 -7.00178687
0.00018112 0.00026939 0.00010843
-0.00870073 0.00112684 0.00088964
-20.01216832 -12.62546920 -17.72640256
0.00001246 -0.00008135 0.00024787
0.01183214 0.01238963 -0.00069849
22.75551373 3.56614380 3.00296138
0.00002683 -0.00025993 0.00001726
0.00134403 -0.00665932 0.00340960
17.71560692 -10.25878198 -14.37364372
-0.00037214 -0.00029810 -0.00000445
-0.00326485 -0.00469121 0.02808317
-2.01118463 1.81304362 -7.02605766
0.00025375 -0.00024575 0.00003504
0.00985535 0.01430124 -0.02135764
-4.25667412 -3.03455831 -15.62787679
-0.00030889 0.00005552 -0.00009626
0.01187989 0.01700003 0.00117968
13.36998947 17.28282705 -20.00650030
0.00018306 0.00018969 0.00035845
0.01199025 0.01241522 -0.00252277
-16.14359162 16.08586352 -12.09725994
0.00040958 0.00008694 0.00006785
0.02214406 -0.00420943 -0.03010584
1.89675938 14.56041045 7.53856225
0.00061386 0.00028384 0.00010341
-0.03558176 0.00551408 0.03183123
-5.34649567 -9.65510260 2.21655073
-0.00021184 -0.00004326 0.00013801
0.03935567 -0.03944472 0.01861527
3.08329361 -6.45194911 2.60894508
-0.00012914 -0.00007251 0.00029184
0.00806173 -0.04480391 -0.00250536
10.86810042 4.92995537 4.43140931
-0.00011357 0.00020010 -0.00014641
-0.01012073 0.01365991 0.01426969
-8.51938778 -9.66068966 -2.80902256
-0.00000757 0.00018572 -0.00036139
-0.03985843 0.05649773 -0.02931202
3.13100262 -15.93685986 -13.18209774
-0.00004841 0.00009516 0.00022100
0.05800662 -0.04894160 0.02548276
4.80537041 -8.40148865 -5.51877372
-0.00009435 0.00021492 0.00043274
-0.01049422 -0.00716215 0.05764053
18.55515290 0.97013235 24.68827385
-0.00000259 0.00012553 -0.00018114
-0.00955639 -0.01798383 0.00025645
-8.46578495 3.11018924 1.15222312
-0.00043354 -0.00004587 0.00013425
0.01625591 0.00124207 -0.00931190
-7.69889315 14.22218971 -10.43287959
0.00019936 -0.00002503 0.00035018
-0.02420520 -0.00522837 -0.02534456
1.71690232 11.41507369 -8.98083616
0.00002296 0.00012602 -0.00008960
-0.03272828 -0.01877064 -0.01909152
-11.71616908 10.09266271 -13.86202253
0.00021029 0.00014126 0.00010102
0.01293569 -0.00515364 -0.00857327
6.98256611 4.42187089 14.70916321
-0.00048666 0.00019910 0.00017872
0.00033668 -0.02594252 -0.01121881
-14.77998031 9.20424093 -9.08582168
-0.00041071 -0.00017730 0.00031668
-0.01116892 -0.01864248 -0.02032238
8.50018946 8.24888732 -3.08814639
0.00003707 -0.00027026 0.00008265
-0.02287580 -0.01600292 -0.04687957
13.76137581 -20.44310676 -25.83424011
0.00009482 -0.00006495 -0.00023609
-0.01579876 0.00297890 -0.01775646
6.25678319 6.60460676 2.58265548
-0.00028064 0.00013006 -0.00002175
-0.01200705 -0.02096161 0.01436784
19.09276195 -5.78043811 -6.64239981
-0.00017175 -0.00010825 -0.00020798
-0.02457504 0.00273357 0.02134739
-1.68053362 -0.01222820 -2.66059719
0.00007673 -0.00020325 -0.00027348
-0.00543720 -0.01233371 0.04029832
2.35470985 -1.86607361 -12.16060272
-0.00024088 0.00018022 0.00040032
-0.02116416 0.03215646 -0.00658545
20.25613994 9.36449318 -5.29307640
-0.00060845 -0.00007609 -0.00023854
0.02507495 -0.00782747 0.00295768
-7.52537166 6.42929172 9.46098620
-0.00020967 -0.00011857 0.00014357
-0.01084647 -0.00495910 0.04964007
-2.59822168 -14.58226718 11.46718333
0.00023268 0.00011156 -0.00013827
-0.00895085 -0.01385524 0.00849309
8.12368265 0.28990056 -4.94708991
0.00001130 -0.00028944 0.00024930
0.00063530 0.03817371 0.01558426
-0.10119415 -10.17731750 0.37701734
-0.00015606 -0.00028518 -0.00028950
0.01084995 -0.01905723 0.01187209
-20.16951570 -1.29842641 4.77838254
-0.00013133 0.00023732 0.00002957
-0.01641409 0.02514709 -0.01908423
-4.59949406 7.63304300 -23.61801596
0.00016903 0.00018537 -0.00013554
-0.01394348 0.01134942 0.03674638
2.57024113 2.32033639 -1.16878038
0.00007418 -0.00027781 0.00034771
0.01028801 -0.04011829 -0.01325554
15.51744710 7.43383715 4.60992211
-0.00003142 -0.00013656 -0.00025603
0.00472753 0.01590361 0.02244423
-9.49164642 -4.67496597 7.73553470
-0.00012750 0.00001638 0.00152356
-0.00223425 -0.00064708 0.00441152
-10.18640247 -3.85156248 5.03426666
0.00035119 -0.00088475 0.00026635
0.00007798 -0.01012196 0.00533030
-12.83228353 4.77343205 8.54598478
-0.00007323 -0.00016328 -0.00026772
0.00474424 -0.00459858 -0.00294640
-13.73106537 1.93311507 8.63145019
-0.00080251 0.00021025 -0.00000196
0.00771222 -0.01494267 -0.00976678
-15.33415694 2.02868268 5.12362240
-0.00042758 0.00104439 0.00035136
-0.00598034 -0.01847791 -0.03348314
-17.37030110 0.18072967 4.02875252
-0.00015810 0.00099761 -0.00053557
0.01922691 0.01955893 -0.01217521
3.15856438 -21.26804237 11.77083578
0.00049234 -0.00077652 -0.00014732
-0.01261168 0.00315771 0.00719626
3.65109516 -19.73473811 14.27166800
-0.00026586 0.00102831 -0.00112131
0.00394695 0.00288099 0.00025517
8.68056650 18.77009296 1.16129228
0.00098818 -0.00053337 -0.00023845
0.00296432 0.00803453 -0.00361020
8.53573960 21.63376147 1.98086205
0.00033359 0.00106565 0.00041563
0.00208773 -0.00420343 0.00113682
-11.07181172 11.66849441 16.48442816
-0.00092437 -0.00013828 0.00017442
-0.01195977 0.02472986 -0.01016733
-12.58457317 14.21344820 15.77526838
0.00014189 -0.00038505 -0.00015764
0.00071234 0.00298232 0.00532384
-5.22947482 0.15703494 -13.22837811
0.00073934 -0.00043898 -0.00025659
-0.00996498 0.01120283 0.00129812
-6.70607647 0.60394005 -10.78444042
-0.00006108 -0.00095469 0.00073950
-0.00072717 0.00558544 0.00428899
-6.82356953 6.30239798 -4.99057771
-0.00032294 0.00019914 -0.00037488
-0.00992259 0.01841644 -0.01051708
-9.12485846 8.00039530 -5.42740334
0.00041964 0.00026958 -0.00002949
-0.00866276 -0.00169811 0.00440425
-8.30450780 -3.17254680 19.08986351
0.00110481 0.00001647 -0.00074215
0.00227338 -0.00430190 -0.00168254
-7.92847142 -6.06244522 18.48413579
-0.00063127 0.00057174 -0.00036293
-0.00398415 0.01318070 -0.00071276
-23.37583583 -3.51438498 -23.47224506
-0.00061430 0.00008650 -0.00082364
0.00041621 0.02037233 -0.00437154
-23.00768237 -4.95871509 -20.88454207
0.00002693 -0.00091542 -0.00030295
-0.00561701 0.01068247 -0.01190435
6.79637610 13.26687888 4.32936450
0.00104628 -0.00025538 -0.00000199
0.00774031 0.00480587 -0.01689983
8.22657706 11.84198022 6.51191924
0.00018557 0.00041708 -0.00025100
-0.02654914 0.01308973 -0.00856301
24.87938623 28.75133364 -2.26286340
0.00031835 -0.00002112 0.00007863
-0.00538430 0.02373740 -0.00584792
24.06871511 31.62505451 -1.64968121
0.00050159 -0.00050781 -0.00031335
-0.00005829 -0.00786810 -0.00430224
9.31760200 -2.19615872 -15.10196050
-0.00071798 0.00041354 -0.00088214
0.00031143 0.00249606 -0.00637848
8.00144850 -1.58028973 -12.82237169
0.00015164 -0.00204813 -0.00017312
-0.01107220 -0.00397013 0.02065101
-7.66726569 -0.07900377 16.04703012
-0.00100510 -0.00049334 -0.00026032
0.01119688 -0.01494768 -0.03160764
-8.71598814 -2.10546723 14.13837906
-0.00011811 0.00098896 0.00139258
0.01058762 0.00401107 0.00589944
-2.62134954 -26.65292324 12.83267877
0.00040768 -0.00019605 0.00005296
0.00342924 -0.00839059 0.02513722
-3.17533151 -25.90358880 10.14913020
0.00060769 -0.00013383 0.00024954
0.01003180 -0.00034091 -0.00711645
-14.64236186 -2.89095281 -6.23804988
-0.00060074 -0.00024344 -0.00005325
0.01072804 -0.00580521 -0.00724807
-14.75819063 -4.64396034 -8.69648695
0.00058209 -0.00033424 -0.00012531
-0.00013879 0.00128459 -0.00025599
-19.26727920 -11.16246595 -16.88842372
-0.00029306 -0.00092501 -0.00101330
-0.00379129 -0.00147425 0.00261514
-18.43057298 -13.44144494 -18.21864564
0.00089138 0.00125168 0.00079891
-0.00319457 -0.01090269 -0.00108444
24.01609102 3.41520511 1.62794122
0.00117866 0.00136067 0.00060699
-0.01264335 0.00120413 0.00019720
22.90136204 5.14301017 3.86537464
0.00043873 0.00006681 -0.00047269
0.00265615 0.00879788 0.00425066
16.23323491 -10.02755372 -13.29827420
0.00117373 -0.00032994 -0.00026992
0.00741035 0.00531034 0.00421843
17.03082321 -10.03962146 -15.99953617
0.00005735 -0.00062233 0.00018957
-0.00331013 0.00771290 -0.03075141
-0.45989415 2.19595240 -8.04048075
0.00040867 -0.00036216 0.00025308
-0.01162909 -0.00528239 0.01219661
-2.24081068 0.03451724 -7.25927460
-0.00012383 0.00006512 0.00144493
-0.00396966 -0.00632924 -0.00790865
-5.55317679 -3.70250614 -16.68803232
0.00090539 -0.00107601 0.00018850
-0.00733893 -0.00634545 -0.00719989
-3.60215181 -1.60939866 -16.62763633
-0.00091471 0.00043569 0.00004384
-0.00384496 -0.00791603 0.00039740
12.66321671 18.88605071 -20.62962532
-0.00089340 -0.00050188 0.00080356
0.00052024 -0.00643750 -0.00106412
11.92928997 16.17674012 -20.11209074
-0.00044657 0.00015946 -0.00022372
-0.00554068 -0.00730667 -0.00353535
-15.23315316 15.66973192 -13.80677256
0.00002430 0.00016278 -0.00040681
-0.03197080 0.00460046 0.04817304
-17.71171196 15.09073444 -12.16036806
0.00125400 0.00012656 0.00044604
0.01314434 0.00339882 -0.00957339
2.66539033 14.96998300 5.91650827
-0.00067689 0.00025691 -0.00089531
-0.00881317 0.01199663 0.00177379
0.60663744 15.79819246 8.24217272
-0.00011724 0.00054588 -0.00065785
0.02941458 -0.02224968 -0.02853192
-5.92587860 -8.32541458 1.24978200
0.00087090 -0.00039998 0.00094627
-0.02507494 0.04063021 -0.02241208
-3.54591588 -9.70905480 1.69355229
-0.00002989 -0.00122864 0.00030329
-0.00699863 -0.00504547 0.00719999
2.48496709 -4.82374702 2.90452943
0.00162825 -0.00146017 -0.00017861
0.00153840 0.04297194 0.00138654
4.48532966 -6.57466496 1.40184032
-0.00002597 -0.00044667 0.00036285
-0.00245811 0.00958023 0.00625924
9.22117211 5.72341693 4.09881544
0.00080642 -0.00021172 -0.00091403
0.00822345 0.00134214 -0.00609488
12.07518071 6.30373374 4.74147532
-0.00006771 0.00039387 -0.00004513
-0.00060674 -0.00377750 -0.00175797
-7.36974933 -10.92454472 -2.53953701
-0.00010982 0.00068221 -0.00052119
0.03057678 -0.04427424 0.02137341
-9.71664079 -9.25756286 -1.49347384
0.00062020 -0.00006071 -0.00040181
0.00424997 -0.01206448 0.00712271
4.58578877 -16.55832388 -14.23120457
0.00048843 0.00029557 -0.00057931
-0.02685481 0.02048260 0.00586359
3.78150224 -17.03659425 -11.66182587
0.00084374 -0.00041614 -0.00072818
-0.03951172 0.03306314 -0.03113017
5.71111437 -6.92849252 -5.94416472
-0.00031341 0.00003084 -0.00020307
0.01798902 0.02726712 -0.02291477
5.02165107 -8.15443608 -3.63184126
-0.00005577 0.00023671 0.00026070
-0.00926779 -0.01795500 -0.03171389
16.79504962 1.54800316 24.66648811
0.00039228 0.00113236 0.00034432
0.01159604 0.00807466 -0.00325302
19.81200501 2.31720757 24.61042730
-0.00049878 0.00037314 -0.00111510
-0.00669976 0.00746816 0.00563789
-9.75576942 3.73748430 2.33855620
-0.00004744 0.00154089 0.00007059
-0.01038482 -0.00689360 0.00421986
-7.51425404 4.64793993 0.89868642
0.00052931 -0.00088677 0.00046243
0.00701096 0.00062459 -0.00324027
-6.44074128 14.27502423 -9.20407148
0.00042473 -0.00063598 0.00050597
0.03053275 0.00553222 0.02560962
-9.18350631 13.74534492 -9.47668298
0.00116878 -0.00005654 -0.00048758
-0.00591888 -0.00163792 -0.00053647
0.26048903 10.91159662 -7.95457361
0.00095039 0.00011192 0.00109836
0.00481307 -0.00377643 -0.00597074
2.58059170 12.41138365 -7.79839921
-0.00004538 -0.00107340 0.00045943
0.02659580 0.02238237 0.02264553
-10.18870268 9.02157394 -13.78557219
-0.00018889 0.00074026 -0.00011605
-0.01698770 0.00795481 0.00620661
-12.63683322 9.94130857 -12.29075001
0.00055893 0.00003834 -0.00156601
0.00350884 -0.00764792 0.00426398
7.26602973 6.16087259 15.03369483
0.00029490 0.00002214 -0.00190904
0.00146316 0.01850664 -0.00609613
7.20801874 4.25543412 12.86527401
0.00040105 0.00109275 -0.00008072
0.00541159 0.00028713 0.01119978
-13.80121017 10.61295790 -8.50969041
0.00045676 -0.00083054 -0.00040293
0.00926693 0.02121935 0.01419612
-16.24275246 9.92690140 -9.90543696
0.00079258 -0.00036755 -0.00001030
-0.00563231 -0.00472715 0.00530845
8.40688372 9.84828113 -2.30072742
-0.00093774 0.00056980 -0.00070943
-0.00093971 0.02390205 0.01030126
7.35122091 8.48348827 -4.62482936
0.00047123 0.00024438 -0.00136129
0.02411651 -0.00020588 0.04052749
12.06383801 -20.21412730 -26.54743352
0.00030873 0.00049484 0.00087770
0.01457341 -0.00208137 0.00931318
13.65260841 -19.96693651 -24.05114910
0.00043027 -0.00106177 -0.00038959
-0.00322933 -0.00061207 0.00822389
5.72341788 4.75464652 2.59614990
0.00075569 0.00107594 -0.00120491
0.01138094 0.02831637 -0.01189070
6.36255639 7.31726857 0.90664814
0.00025232 0.00004461 -0.00056927
0.00208435 -0.01183255 -0.00447574
20.49774484 -6.47114347 -5.72639678
-0.00076970 0.00052712 -0.00058510
0.00024966 -0.00184753 0.00327980
17.75631075 -5.28503325 -5.38545700
-0.00066812 0.00012791 0.00019711
0.01706687 -0.00095664 -0.01730141
-2.70563314 0.35782775 -1.16179624
0.00068911 0.00063737 0.00125253
0.00741101 -0.00642372 -0.00003367
-2.50684585 0.95875709 -3.93967113
-0.00010988 -0.00020706 -0.00013943
0.00509800 0.01129476 -0.02108824
3.52243047 -3.19850933 -12.16428830
0.00053525 -0.00025946 -0.00017810
0.02328506 -0.02866397 0.00052982
0.68273486 -2.48864774 -11.53738881
0.00111403 -0.00047336 -0.00060694
0.01030966 -0.00286172 0.00077975
19.41667799 8.37365263 -6.59054526
-0.00089807 0.00088590 0.00094667
0.01282420 -0.00172796 0.00258533
21.95047320 8.56927266 -4.74809096
-0.00044185 0.00009576 -0.00035474
-0.03114132 0.01042200 -0.01268670
-7.44658185 4.66283640 8.91019382
0.00053741 -0.00019866 0.00020617
0.00290034 -0.00265708 0.00571156
-7.60394937 6.24161931 11.39057784
-0.00067975 0.00012207 -0.00012613
-0.00044907 0.00595645 -0.04732753
-3.14234520 -16.35883708 11.36956016
-0.00057728 0.00040301 -0.00097325
0.00712202 0.01598035 -0.00084447
-4.15588991 -13.64923469 11.67197726
0.00004952 -0.00079575 -0.00051091
0.00082549 -0.00476136 -0.00392191
8.45498222 0.54774014 -3.12505811
0.00037487 0.00014778 -0.00087637
-0.00492335 -0.00832924 -0.02127142
7.80857533 2.08847146 -5.67780673
0.00011240 -0.00011400 -0.00078066
0.00211044 -0.03289136 0.00786364
1.21295720 -10.68114036 1.61486270
-0.00053817 -0.00021266 0.00027399
-0.01933820 -0.00278854 -0.00159117
0.10878644 -8.38564161 0.33579722
-0.00021682 -0.00027773 0.00024980
0.00200683 0.01422694 -0.01145251
-20.13819664 -1.35796220 6.60340382
-0.00045557 -0.00038131 0.00028358
0.00390014 -0.00612501 0.01846517
-21.22084714 0.25260279 4.43635163
-0.00102899 0.00081880 0.00004893
0.01621543 -0.01938092 -0.00002798
-3.84594474 8.37519801 -25.08960179
0.00009161 -0.00031478 -0.00177670
0.01386792 0.00550236 -0.01663509
-4.48333646 9.03802011 -22.40096757
-0.00043676 -0.00025573 0.00123817
-0.00071829 -0.01888796 -0.00877538
3.87601389 1.03884983 -0.91329604
0.00047271 0.00101973 0.00001011
0.00429872 0.01767475 0.00097672
1.26354961 1.11007470 -1.86422990
0.00032277 -0.00097753 0.00096596
-0.00687827 0.02692049 0.00236699
15.88566574 7.56035779 6.48356421
-0.00058831 0.00059980 -0.00026739
-0.00470045 0.00116425 -0.03421851
15.86000275 9.10403622 3.87256450
0.00003100 -0.00131813 0.00066844
-0.00259897 -0.01309869 0.00696001
-0.33325426 -11.81804111 -13.25283401
0.00010050 -0.00001118 0.00023055
0.01131001 -0.00036187 -0.00138577
-13.94052917 14.47894751 22.19732873
-0.00001866 -0.00012520 0.00014951
-0.00154936 -0.00236444 0.00100228
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02974531
0.35145856
468.30090678
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1358355868
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3512275234 (a.u.)
total exchange computation time: 2.7099139690 s
-154.1591888203
-931.37798077
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1358355868
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3514226143 (a.u.)
total exchange computation time: 2.7088520527 s
-154.1584735496
Anderson extrapolation: theta=1.4170262567 (1.4170262567)
-931.37821210
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1358355868
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3516515802 (a.u.)
total exchange computation time: 2.7098388672 s
-154.1578889893
Anderson extrapolation: theta=0.0746784191 (0.0746784191)
-931.37836337
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1358355868
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3516254502 (a.u.)
total exchange computation time: 2.7090010643 s
-154.1582701751
Anderson extrapolation: theta=2.3587045755 (2.0000000000)
-931.37837321
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1358355868
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3515559871 (a.u.)
total exchange computation time: 2.7105360031 s
-154.1591398037
Anderson extrapolation: theta=0.4207692842 (0.4207692842)
-931.37838696
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1358355868
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3515273498 (a.u.)
total exchange computation time: 2.7094249725 s
-154.1594545792
Anderson extrapolation: theta=0.9405632477 (0.9405632477)
-931.37839105
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1358355868
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3515146027 (a.u.)
total exchange computation time: 2.7116370201 s
-154.1595900958
Anderson extrapolation: theta=0.5587874508 (0.5587874508)
-931.37839388
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1358355868
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3515235860 (a.u.)
total exchange computation time: 2.7097280025 s
-154.1595012398
Anderson extrapolation: theta=0.7236357884 (0.7236357884)
-931.37839498
-208.831133 49.940637 -204.261451
-133.331982 460.302152 -800.234132
-342.163115 510.242789 -1004.495583
1177.469608
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1358355868
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3515422223 (a.u.)
total exchange computation time: 2.7091109753 s
678.58495479
-1083.17861653
89.83827672
-389.49604999
-174.77541824
77.96392482
551.60419304
0.00000000
-931.37839545
-10.92462476 -4.26583623 6.68677724
0.00004484 -0.00007261 -0.00019935
0.01351256 -0.00443266 0.00313959
-13.98142880 3.60170836 9.30738199
0.00034086 0.00022731 -0.00026904
-0.01680922 0.02308631 0.01693931
-15.94299001 1.38858458 3.42482944
-0.00003926 0.00012079 -0.00005329
-0.01421239 0.00527784 0.04386585
2.57119099 -19.83267121 12.81649284
0.00030664 0.00003004 0.00017341
0.00015999 -0.00886672 -0.01828602
9.61215681 20.36819210 1.15205718
-0.00016097 -0.00008886 0.00040565
-0.00806440 0.00323306 -0.00160582
-12.07727227 12.56622407 15.17605881
-0.00019544 -0.00000477 0.00017954
0.02557255 -0.01554502 0.00159422
-6.23281220 1.45515091 -12.38044616
0.00016380 0.00000406 -0.00045676
0.00696631 -0.02113274 0.00218187
-7.42044929 7.77942427 -5.97895191
-0.00009052 -0.00015127 -0.00016725
0.01597863 -0.02008640 -0.00339015
-7.74210666 -4.33898349 17.80305048
-0.00018154 -0.00000514 0.00012775
0.00617396 -0.02433046 0.00320054
-23.54188280 -5.09878848 -22.63662920
-0.00015324 -0.00033559 -0.00012974
-0.00275526 -0.02187897 0.00938481
6.60401887 12.76856609 6.04706333
-0.00009917 -0.00001347 0.00001656
0.02766864 -0.01899635 0.01831552
24.74973278 30.49542643 -2.95006511
0.00011964 0.00027538 -0.00014252
0.00072662 -0.02262791 0.00574228
7.91768626 -1.07464108 -14.54273012
0.00002697 0.00043753 -0.00013780
0.00138608 0.00336689 0.00505275
-7.32380124 -0.92136450 14.34265522
-0.00019487 0.00007042 -0.00030226
-0.01301640 0.01875517 0.01304416
-1.76171094 -26.21282214 11.28670285
0.00018714 0.00011319 -0.00020908
-0.00979683 0.00562461 -0.02376718
-14.06166055 -4.49017017 -7.00015706
0.00017672 0.00026943 0.00010846
-0.00839105 -0.00095235 -0.00074237
-20.01193575 -12.62664162 -17.72268716
0.00001803 -0.00007692 0.00024636
0.00983136 0.00480956 -0.00519396
22.75592133 3.56221916 3.00323348
0.00002820 -0.00026267 0.00001872
0.00398074 -0.00401349 0.00225657
17.71001216 -10.26327160 -14.37360214
-0.00037134 -0.00030098 0.00000911
0.00639950 -0.00650030 0.02463495
-2.00734034 1.80941258 -7.02561441
0.00025873 -0.00023747 0.00002431
0.00951101 0.01788505 -0.02036713
-4.26126165 -3.03365995 -15.62931621
-0.00030186 0.00006476 -0.00009487
0.01545418 0.01894567 0.00425385
13.37278166 17.28572027 -20.00113326
0.00018822 0.00019481 0.00035715
0.00805633 0.00750900 -0.00252546
-16.13736247 16.08715134 -12.09635827
0.00042210 0.00008546 0.00005222
0.02653635 -0.00151704 -0.03069011
1.90583004 14.56468930 7.54023614
0.00059544 0.00028733 0.00011918
-0.03603512 0.00804359 0.02949523
-5.34952149 -9.65590369 2.21869275
-0.00019055 -0.00006571 0.00014901
0.04344739 -0.04784838 0.02415167
3.08138759 -6.45320962 2.61331294
-0.00012337 -0.00009991 0.00028953
0.01437092 -0.06175740 -0.00644652
10.86635779 4.93300954 4.42926822
-0.00011725 0.00020685 -0.00013878
-0.00418053 0.01260490 0.01538331
-8.51965506 -9.65768597 -2.81455653
-0.00002807 0.00021513 -0.00037722
-0.03987595 0.05789543 -0.03221808
3.13050028 -15.93562125 -13.17868440
-0.00001766 0.00006977 0.00023309
0.06154115 -0.04978370 0.02151646
4.80391475 -8.39829246 -5.51206033
-0.00009984 0.00021108 0.00046202
-0.01089331 -0.00776828 0.05621790
18.55507723 0.97194588 24.68555771
-0.00000753 0.00011655 -0.00018108
-0.00964934 -0.01693354 0.00000352
-8.47222538 3.10950594 1.15420088
-0.00042558 -0.00004537 0.00012979
0.01471105 0.00072980 -0.00799795
-7.69599613 14.22179413 -10.42772467
0.00018948 -0.00002705 0.00033657
-0.01420952 -0.00265491 -0.02758903
1.71712050 11.41689165 -8.98225381
0.00000595 0.00011625 -0.00009930
-0.03344326 -0.01922938 -0.01864132
-11.71296489 10.09476180 -13.86054029
0.00021756 0.00013955 0.00009383
0.01533951 -0.00152283 -0.01940657
6.97526750 4.42475729 14.71180076
-0.00048638 0.00018530 0.00017194
0.00073850 -0.02771337 -0.01516570
-14.78618399 9.20150959 -9.08114993
-0.00041520 -0.00018793 0.00030699
-0.00629489 -0.02271694 -0.01732826
8.50065731 8.24477171 -3.08708748
0.00002464 -0.00027709 0.00005810
-0.02547346 -0.01055984 -0.04857799
13.76273723 -20.44406948 -25.83784997
0.00008757 -0.00006366 -0.00024530
-0.01240996 0.00201333 -0.01806726
6.25252729 6.60647688 2.58238467
-0.00028620 0.00012116 -0.00001566
-0.00963236 -0.01367827 0.00929510
19.09009089 -5.78205139 -6.64543718
-0.00018650 -0.00010589 -0.00019736
-0.03277936 0.00644308 0.01996881
-1.67940371 -0.01532450 -2.66454389
0.00007313 -0.00020935 -0.00025118
-0.00853693 -0.01138415 0.04640846
2.35101502 -1.86324622 -12.15462329
-0.00024844 0.00019559 0.00039628
-0.00824897 0.02761783 -0.00914110
20.24710995 9.36332162 -5.29664302
-0.00059446 -0.00007874 -0.00023523
0.02931135 -0.00246666 0.00987898
-7.52855862 6.42749404 9.46333116
-0.00021521 -0.00012113 0.00016854
-0.01065959 -0.00500854 0.04746366
-2.59476595 -14.58064726 11.46514209
0.00022829 0.00010397 -0.00013403
-0.00815110 -0.01566197 0.00799457
8.12385455 0.28570614 -4.94329028
0.00001125 -0.00026953 0.00025521
-0.00079970 0.03925132 0.00741258
-0.10349314 -10.18166875 0.37272062
-0.00015040 -0.00029492 -0.00028316
0.01116464 -0.01880711 0.01280028
-20.17154898 -1.29476957 4.77875244
-0.00014050 0.00025116 0.00002016
-0.01924010 0.02864927 -0.01750891
-4.59701241 7.63586739 -23.61990737
0.00016252 0.00019205 -0.00011771
-0.01137160 0.01461265 0.03261743
2.57139353 2.31601452 -1.16361592
0.00007864 -0.00029758 0.00034067
0.00703385 -0.03676362 -0.01410996
15.51699398 7.43185008 4.60616830
-0.00002945 -0.00013049 -0.00024342
0.00295029 0.00769674 0.02658815
-9.49362734 -4.67474004 7.75852326
-0.00014656 0.00001717 0.00153227
-0.00709684 0.00103260 -0.00014487
-10.18113228 -3.86514390 5.03842531
0.00035534 -0.00092450 0.00028309
0.00195626 -0.00933406 0.00286299
-12.83323659 4.77084197 8.54187868
-0.00004833 -0.00017761 -0.00028368
0.00744476 -0.00241740 -0.00486361
-13.74286666 1.93581089 8.63112154
-0.00076976 0.00014569 -0.00004314
0.00831791 -0.01665917 -0.01039423
-15.34075389 2.04378225 5.12786675
-0.00045387 0.00096641 0.00020964
-0.00688676 -0.01969154 -0.03588764
-17.37208342 0.19629314 4.02034589
-0.00008298 0.00107321 -0.00058293
0.01754624 0.01744787 -0.01100563
3.16556309 -21.27959348 11.76884656
0.00043720 -0.00075515 -0.00011140
-0.01437993 0.00730388 0.01038684
3.64722818 -19.71922518 14.25485611
-0.00023658 0.00104097 -0.00110290
0.01038457 0.00331461 0.00876016
8.69548009 18.76233857 1.15760485
0.00099587 -0.00050063 -0.00025168
0.00079906 0.00799500 -0.00286347
8.54080738 21.64961746 1.98713133
0.00034349 0.00104069 0.00041761
0.00275892 -0.00801636 -0.00016907
-11.08604382 11.66717795 16.48673290
-0.00097037 -0.00003932 0.00013587
-0.01055603 0.02371568 -0.00870441
-12.58242299 14.20776390 15.77306685
0.00014227 -0.00036536 -0.00013314
-0.00052629 0.00665170 0.00666994
-5.21869014 0.15079356 -13.23218713
0.00069456 -0.00038824 -0.00024815
-0.01195271 0.01363188 0.00283052
-6.70701493 0.58979091 -10.77321648
-0.00005956 -0.00092299 0.00074112
0.00147203 0.00992873 -0.00349671
-6.82871776 6.30594944 -4.99652313
-0.00036113 0.00026898 -0.00041433
-0.00876795 0.01576762 -0.00879770
-9.11882928 8.00438697 -5.42771066
0.00037837 0.00026388 -0.00000951
-0.01153943 -0.00109203 0.00537388
-8.28786595 -3.17243157 19.07867975
0.00110908 0.00000870 -0.00073716
-0.00018527 0.00049618 0.00412424
-7.93806251 -6.05346516 18.47866999
-0.00064843 0.00061744 -0.00036208
-0.00441675 0.00918831 0.00112828
-23.38503764 -3.51246319 -23.48473368
-0.00061324 0.00015995 -0.00083475
0.00010677 0.01558038 -0.00106456
-23.00745053 -4.97211911 -20.88945115
0.00000520 -0.00086971 -0.00034922
-0.00501776 0.01169546 -0.01074157
6.81230743 13.26319548 4.32881672
0.00107614 -0.00023516 -0.00006993
0.00687799 0.00509224 -0.01635263
8.22854702 11.84863759 6.50789190
0.00007706 0.00046974 -0.00028400
-0.02656394 0.01268399 -0.00759442
24.88399646 28.75174417 -2.26186309
0.00029614 0.00007944 0.00005222
-0.00548453 0.02549044 -0.00708033
24.07623715 31.61719621 -1.65451325
0.00049741 -0.00053280 -0.00032372
-0.00198858 -0.00436072 -0.00077490
9.30684179 -2.18987914 -15.11538809
-0.00071334 0.00042248 -0.00091038
0.00196267 0.00188029 -0.00744226
8.00338383 -1.61113326 -12.82433573
0.00010569 -0.00206018 -0.00010039
-0.01142162 -0.00192961 0.01495308
-7.68199907 -0.08686195 16.04215675
-0.00095586 -0.00055046 -0.00038802
0.01290575 -0.01301379 -0.03090054
-8.71743529 -2.09050990 14.15944850
-0.00008426 0.00099475 0.00141107
0.00597971 -0.00117873 0.00315458
-2.61512933 -26.65612112 12.83424348
0.00042300 -0.00022945 0.00015211
0.00407263 -0.00795668 0.02339566
-3.16590869 -25.90560666 10.15265523
0.00064119 -0.00013361 0.00021496
0.00636280 0.00044937 -0.00981159
-14.65104420 -2.89478226 -6.23907080
-0.00055787 -0.00026383 -0.00008161
0.01025842 -0.00417547 -0.00663215
-14.74946358 -4.64893451 -8.69837446
0.00058192 -0.00032830 -0.00012443
0.00005733 0.00161899 0.00068674
-19.27179133 -11.17638624 -16.90354308
-0.00030333 -0.00091188 -0.00099146
-0.00123268 0.00790085 0.00807706
-18.41730017 -13.42300389 -18.20669517
0.00087657 0.00120373 0.00079265
-0.00405354 -0.01256844 -0.00197990
24.03338349 3.43565204 1.63705211
0.00112327 0.00136182 0.00060938
-0.01447151 -0.00063933 0.00097124
22.90802442 5.14428195 3.85841447
0.00044736 0.00010119 -0.00045385
0.00156950 0.00802917 0.00497465
16.25106797 -10.03234010 -13.30219371
0.00118702 -0.00030555 -0.00024132
-0.00090821 0.00662944 0.00978073
17.03158199 -10.04872013 -15.99763497
0.00004114 -0.00058985 0.00005909
-0.00462342 0.00818802 -0.03311761
-0.45412053 2.19035806 -8.03631074
0.00036143 -0.00038472 0.00030216
-0.01149072 -0.00575715 0.01182583
-2.24278971 0.03530011 -7.23784301
-0.00013969 0.00003272 0.00141053
-0.00379552 -0.00953254 -0.00892953
-5.53982086 -3.71884080 -16.68542545
0.00086830 -0.00110546 0.00015300
-0.01081479 -0.00806882 -0.01017720
-3.61599022 -1.60310595 -16.62696661
-0.00093044 0.00040273 0.00004516
-0.00385655 -0.00821723 0.00025155
12.64983163 18.87832520 -20.61760459
-0.00089103 -0.00052131 0.00079728
0.00064048 -0.00307093 -0.00200850
11.92242163 16.17890811 -20.11555490
-0.00046117 0.00013276 -0.00023692
-0.00160713 -0.00576352 -0.00292593
-15.23376839 15.67231465 -13.81139850
-0.00010580 0.00018182 -0.00020909
-0.03171307 0.00471899 0.04860904
-17.69249913 15.09273695 -12.15397081
0.00129814 0.00013505 0.00040703
0.00846325 0.00075670 -0.00952482
2.65496692 14.97420429 5.90313302
-0.00071397 0.00030325 -0.00088378
-0.00933616 0.01068413 0.00386865
0.60578015 15.80569880 8.23143070
0.00000486 0.00045210 -0.00077373
0.03035463 -0.02365653 -0.02819152
-5.91358343 -8.33016917 1.26328932
0.00076245 -0.00021760 0.00084329
-0.02801121 0.04864300 -0.02800017
-3.54657864 -9.72763906 1.69832221
-0.00006045 -0.00124817 0.00033260
-0.00796366 -0.00451099 0.00714805
2.50943803 -4.84433271 2.90189277
0.00162125 -0.00124858 -0.00016649
-0.00496548 0.06060278 0.00454871
4.48486474 -6.58107151 1.40747489
-0.00003624 -0.00040880 0.00038911
-0.00256604 0.00895746 0.00659307
9.23352034 5.72028233 4.08491819
0.00082924 -0.00020132 -0.00094027
0.00294947 0.00374640 -0.00675011
12.07414650 6.30952604 4.74074443
-0.00007182 0.00037637 -0.00005254
-0.00140844 -0.00478749 -0.00186783
-7.37045960 -10.91566822 -2.54669985
0.00002047 0.00049643 -0.00043296
0.03319987 -0.04666967 0.02181465
-9.70720756 -9.25884324 -1.49928280
0.00063269 -0.00010809 -0.00036730
0.00186156 -0.01112939 0.00977115
4.59229230 -16.55326273 -14.23971452
0.00037209 0.00038199 -0.00055083
-0.03009432 0.02182424 0.00807593
3.79294755 -17.04182318 -11.67370243
0.00068175 -0.00028195 -0.00085190
-0.03978444 0.03262591 -0.02943182
5.70696447 -6.92719439 -5.94791294
-0.00023986 0.00014221 -0.00029594
0.01801375 0.02724897 -0.02254611
5.02053060 -8.15143566 -3.62890252
-0.00009296 0.00016442 0.00013329
-0.00893760 -0.01742797 -0.03065771
16.80128915 1.56523606 24.67155321
0.00043731 0.00116324 0.00033085
0.01044716 0.00704100 -0.00333818
19.80431800 2.32303349 24.59387355
-0.00052387 0.00040335 -0.00109143
-0.00558395 0.00732230 0.00594998
-9.75679920 3.76038640 2.33974442
-0.00008858 0.00150989 0.00008611
-0.00975701 -0.00828307 0.00337436
-7.50609951 4.63465755 0.90552354
0.00056031 -0.00088115 0.00044729
0.00816236 0.00212380 -0.00416796
-6.43343474 14.26565412 -9.19569723
0.00054479 -0.00061361 0.00060559
0.02823749 0.00541624 0.02315583
-9.16615592 13.74444659 -9.48401315
0.00112901 -0.00006796 -0.00048021
-0.01355134 -0.00395364 0.00414623
0.27489242 10.91315965 -7.93828112
0.00096691 0.00009476 0.00107196
0.00327379 -0.00462081 -0.00695301
2.58072598 12.39596845 -7.79081388
0.00006811 -0.00097878 0.00055390
0.02895922 0.02393900 0.02360056
-10.19205660 9.03292162 -13.78712282
-0.00025070 0.00076727 -0.00009022
-0.01327040 0.00526425 0.00644192
-12.62834174 9.94164932 -12.31410943
0.00056085 0.00000522 -0.00152723
-0.00256788 -0.00856512 0.01471770
7.27049799 6.16177181 15.00487237
0.00030157 0.00010555 -0.00192816
0.00180302 0.02232176 -0.00326184
7.21420030 4.27183420 12.86440634
0.00042146 0.00108925 -0.00003238
0.00457765 -0.00200022 0.01246555
-13.79407485 10.60115006 -8.51529927
0.00049599 -0.00074125 -0.00034442
0.00993797 0.02248884 0.01444101
-16.23103633 9.92124329 -9.90542882
0.00075817 -0.00038103 0.00000511
-0.01121182 -0.00187316 0.00223644
8.39278877 9.85756058 -2.31105328
-0.00094047 0.00065930 -0.00067033
-0.00039312 0.01990827 0.00884238
7.35902843 8.48714773 -4.64400680
0.00057386 0.00024047 -0.00118932
0.02611887 -0.00170937 0.04365165
12.06891560 -20.20676852 -26.53398268
0.00036082 0.00048711 0.00091147
0.01092509 -0.00170092 0.00721911
13.65896357 -19.98288178 -24.05674091
0.00041755 -0.00106268 -0.00035089
-0.00299791 0.00016605 0.01071965
5.73510195 4.77165327 2.57771195
0.00079790 0.00117919 -0.00125122
0.00928061 0.02222582 -0.01078234
6.36640506 7.31757515 0.89797201
0.00026077 -0.00000526 -0.00057995
0.00205217 -0.01258019 -0.00075646
20.48620705 -6.46329335 -5.73507273
-0.00075676 0.00051378 -0.00056404
0.00608470 -0.00468102 0.00702767
17.74681187 -5.28314392 -5.38303050
-0.00059369 0.00012223 0.00012148
0.01936903 -0.00182305 -0.01972019
-2.69506939 0.36719152 -1.14300937
0.00072572 0.00060827 0.00123940
0.01051137 -0.00782531 -0.00639153
-2.50833783 0.95599733 -3.94240882
-0.00008935 -0.00016053 -0.00022377
0.00495289 0.01148152 -0.02019461
3.53117274 -3.20327960 -12.16694355
0.00061976 -0.00036347 -0.00017636
0.01808184 -0.02224887 0.00031967
0.69976129 -2.49583582 -11.54646901
0.00114185 -0.00048866 -0.00059811
0.00330476 -0.00462645 0.00354276
19.40359990 8.38688824 -6.57626598
-0.00085362 0.00086817 0.00094297
0.00893727 -0.00695224 -0.00439650
21.94289112 8.57102839 -4.75380084
-0.00056940 0.00013758 -0.00040648
-0.03129173 0.01005049 -0.01263999
-7.43843187 4.65977513 8.91346146
0.00054919 -0.00020882 0.00022993
0.00286888 -0.00231723 0.00591877
-7.61415935 6.24363287 11.38723558
-0.00068139 0.00014573 -0.00031555
-0.00035367 0.00562484 -0.04539150
-3.15078613 -16.35230228 11.35493559
-0.00054592 0.00046639 -0.00097663
0.00822588 0.01504638 -0.00081209
-4.15512184 -13.66131691 11.66419336
0.00004882 -0.00080996 -0.00052606
-0.00116943 -0.00219088 -0.00349241
8.46045435 0.54970153 -3.13885552
0.00035683 0.00011570 -0.00094946
-0.00390428 -0.00737118 -0.01450379
7.81032604 2.08575357 -5.68927561
0.00012161 -0.00025168 -0.00074561
0.00239600 -0.03450471 0.00929097
1.20429211 -10.68441571 1.61892381
-0.00061738 -0.00022439 0.00026614
-0.01943622 -0.00295235 -0.00225037
0.10559562 -8.38937161 0.33919330
-0.00020907 -0.00021984 0.00020258
0.00178797 0.01410922 -0.01166087
-20.14491061 -1.36386960 6.60822334
-0.00043994 -0.00040500 0.00035329
0.00374659 -0.00546965 0.01565990
-21.23578511 0.26429090 4.43708468
-0.00095636 0.00073144 0.00005117
0.01933799 -0.02338065 0.00112603
-3.84414563 8.37064497 -25.11676197
0.00014160 -0.00029529 -0.00182644
0.01060045 0.00403652 -0.00771399
-4.48990982 9.03360538 -22.38266391
-0.00043829 -0.00033624 0.00119307
-0.00003107 -0.02052022 -0.01330228
3.88323627 1.05468740 -0.91311444
0.00049714 0.00108489 0.00001530
0.00766238 0.01422250 0.00156289
1.26818032 1.09623667 -1.84966794
0.00029516 -0.00086684 0.00097507
-0.00663311 0.02726512 0.00209147
15.87669708 7.56939053 6.47850475
-0.00060712 0.00060223 -0.00040515
-0.00450871 0.00002397 -0.03321453
15.86038808 9.08386291 3.88280435
0.00002362 -0.00135295 0.00068681
-0.00101136 -0.00394664 0.00203443
-0.33171643 -11.81820972 -13.24937941
0.00010453 -0.00001130 0.00023002
0.01121628 -0.00031198 -0.00162716
-13.94081173 14.47706546 22.19957318
-0.00001902 -0.00012574 0.00014976
-0.00155453 -0.00231746 0.00114401
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02932159
0.34907386
465.12342213
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1362682531
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3716307347 (a.u.)
total exchange computation time: 2.6689701080 s
-154.2434883014
-931.37417108
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1362682531
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3714634227 (a.u.)
total exchange computation time: 2.6688010693 s
-154.2451028941
Anderson extrapolation: theta=1.3915972358 (1.3915972358)
-931.37440437
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1362682531
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3711153761 (a.u.)
total exchange computation time: 2.6706020832 s
-154.2480291947
Anderson extrapolation: theta=0.0650455733 (0.0650455733)
-931.37454937
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1362682531
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3709988444 (a.u.)
total exchange computation time: 2.6714859009 s
-154.2488274754
Anderson extrapolation: theta=2.1624079864 (2.0000000000)
-931.37455645
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1362682531
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3707316076 (a.u.)
total exchange computation time: 2.6706910133 s
-154.2505874759
Anderson extrapolation: theta=0.3089255026 (0.3089255026)
-931.37456494
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1362682531
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3706396403 (a.u.)
total exchange computation time: 2.6705830097 s
-154.2511284103
Anderson extrapolation: theta=1.3097765222 (1.3097765222)
-931.37456688
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1362682531
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3705364982 (a.u.)
total exchange computation time: 2.6709561348 s
-154.2516620405
Anderson extrapolation: theta=0.4060037412 (0.4060037412)
-931.37456860
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1362682531
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3705155224 (a.u.)
total exchange computation time: 2.6723501682 s
-154.2516951033
Anderson extrapolation: theta=0.9812007008 (0.9812007008)
-931.37456913
-208.787617 49.935835 -204.289825
-133.278170 460.318062 -800.305361
-342.065787 510.253897 -1004.595186
1177.531116
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1362682531
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3705126055 (a.u.)
total exchange computation time: 2.6700830460 s
678.86726176
-1083.80806533
89.82813780
-389.06624194
-174.82514911
78.31608984
551.60419304
0.00000000
-931.37456942
-10.92390011 -4.26694255 6.68379912
0.00005236 -0.00007545 -0.00019582
0.01576518 -0.00660026 0.01060174
-13.97638067 3.60520709 9.30341179
0.00033147 0.00023885 -0.00025972
-0.01971613 0.02177281 0.01930370
-15.94363368 1.39041686 3.42419935
-0.00004578 0.00012432 -0.00003071
-0.01115432 0.00841729 0.04393410
2.57579120 -19.83225486 12.81902352
0.00030533 0.00002435 0.00016112
-0.00525552 -0.01323464 -0.02952017
9.60971109 20.36687163 1.15813579
-0.00016477 -0.00008628 0.00040495
-0.00671320 0.00679494 -0.00112048
-12.08010521 12.56609249 15.17875799
-0.00018249 -0.00001338 0.00017954
0.02478545 -0.01792488 -0.00158537
-6.23032838 1.45513031 -12.38728915
0.00016726 -0.00000828 -0.00045410
0.00648872 -0.02686786 0.00816808
-7.42174543 7.77707771 -5.98147370
-0.00008202 -0.00016093 -0.00016971
0.01706026 -0.01745480 -0.00617027
-7.74480589 -4.33915440 17.80497913
-0.00017759 -0.00001774 0.00012737
0.00918710 -0.02467032 -0.00469618
-23.54419200 -5.10390666 -22.63853905
-0.00015470 -0.00034570 -0.00012617
-0.00294346 -0.01747107 0.00447178
6.60263807 12.76829082 6.04738231
-0.00008484 -0.00002306 0.00002532
0.02804675 -0.01830052 0.01578322
24.75153019 30.49946988 -2.95218077
0.00012049 0.00026253 -0.00014032
0.00259308 -0.02733692 0.00279995
7.91809618 -1.06806520 -14.54477759
0.00002741 0.00043877 -0.00013338
0.00032977 0.00148170 0.01212920
-7.32677456 -0.92023584 14.33817158
-0.00020068 0.00008082 -0.00029529
-0.00956357 0.02169626 0.01408810
-1.75894166 -26.21110266 11.28347492
0.00018275 0.00011560 -0.00021993
-0.00726294 0.00377681 -0.01840902
-14.05904210 -4.48613239 -6.99853297
0.00017251 0.00026835 0.00010763
-0.00799333 -0.00323301 -0.00248502
-20.01162733 -12.62777693 -17.71901183
0.00002254 -0.00007653 0.00024250
0.00769459 -0.00329070 -0.00981375
22.75635964 3.55826356 3.00352299
0.00003091 -0.00026396 0.00001965
0.00657343 -0.00099067 0.00134666
17.70446677 -10.26781136 -14.37337050
-0.00036556 -0.00030478 0.00002046
0.01605685 -0.00827381 0.01950895
-2.00342267 1.80591951 -7.02532828
0.00026342 -0.00022742 0.00001424
0.00873561 0.02117826 -0.01880387
-4.26572996 -3.03261544 -15.63072280
-0.00029318 0.00007490 -0.00009197
0.01832426 0.02048549 0.00703013
13.37563599 17.28867143 -19.99578570
0.00019135 0.00019740 0.00035585
0.00412820 0.00254769 -0.00255082
-16.13092859 16.08842746 -12.09569335
0.00043680 0.00008546 0.00003650
0.03061004 0.00150165 -0.03042594
1.91462270 14.56903021 7.54213758
0.00057698 0.00029196 0.00013357
-0.03577916 0.00998121 0.02649007
-5.35221212 -9.65707392 2.22102109
-0.00016752 -0.00009195 0.00016249
0.04609890 -0.05419005 0.02824869
3.07959244 -6.45494656 2.61763108
-0.00011462 -0.00013570 0.00028531
0.01964854 -0.07739302 -0.00996379
10.86458289 4.93616094 4.42724580
-0.00011785 0.00021300 -0.00013057
0.00185469 0.01130313 0.01656329
-8.52022997 -9.65423564 -2.82033906
-0.00004804 0.00024467 -0.00039441
-0.03776969 0.05696804 -0.03463219
3.13047270 -15.93476670 -13.17510506
0.00001456 0.00004422 0.00024308
0.06377431 -0.04958677 0.01732410
4.80237506 -8.39515620 -5.50491323
-0.00010537 0.00020721 0.00049019
-0.01060699 -0.00727450 0.05335633
18.55492712 0.97362876 24.68284159
-0.00001245 0.00010815 -0.00018114
-0.00949330 -0.01571983 -0.00026620
-8.47855232 3.10882827 1.15611694
-0.00041844 -0.00004505 0.00012605
0.01306511 0.00051485 -0.00657760
-7.69320872 14.22137808 -10.42278260
0.00018506 -0.00002773 0.00032205
-0.00297980 0.00003453 -0.02887842
1.71708068 11.41856127 -8.98381528
-0.00001118 0.00010644 -0.00010857
-0.03313539 -0.01893173 -0.01738230
-11.70964237 10.09684913 -13.85920776
0.00022605 0.00013981 0.00008101
0.01767315 0.00253002 -0.03042083
6.96797460 4.42742990 14.71432131
-0.00048586 0.00017089 0.00016329
0.00129087 -0.02832854 -0.01846810
-14.79243624 9.19860300 -9.07661186
-0.00041701 -0.00020045 0.00029897
-0.00075169 -0.02596023 -0.01387818
8.50092864 8.24057464 -3.08640333
0.00001105 -0.00028093 0.00003303
-0.02737982 -0.00436425 -0.04893368
13.76400291 -20.44501666 -25.84159922
0.00008218 -0.00006288 -0.00025454
-0.00856419 0.00104571 -0.01785201
6.24819709 6.60824147 2.58218557
-0.00029048 0.00011622 -0.00001215
-0.00700424 -0.00551903 0.00436151
19.08716695 -5.78361496 -6.64832050
-0.00020529 -0.00010170 -0.00018758
-0.04028258 0.00986097 0.01806094
-1.67833965 -0.01850862 -2.66813256
0.00006802 -0.00021489 -0.00022605
-0.01134432 -0.01016946 0.05132581
2.34725655 -1.86020577 -12.14871437
-0.00024914 0.00020859 0.00039084
0.00555064 0.02292308 -0.01201739
20.23830610 9.36213104 -5.30013343
-0.00057840 -0.00007853 -0.00022835
0.03316461 0.00326257 0.01687848
-7.53182781 6.42565772 9.46604229
-0.00022061 -0.00012373 0.00019208
-0.01036625 -0.00507916 0.04409285
-2.59137309 -14.57914816 11.46316252
0.00022435 0.00009557 -0.00013004
-0.00716901 -0.01699755 0.00751233
8.12402029 0.28181453 -4.93943348
0.00001044 -0.00024930 0.00025676
-0.00238371 0.03944900 -0.00138342
-0.10570600 -10.18616508 0.36852265
-0.00014464 -0.00030436 -0.00027642
0.01121371 -0.01790529 0.01341120
-20.17373069 -1.29089171 4.77898726
-0.00015098 0.00026656 0.00001172
-0.02152987 0.03126691 -0.01529709
-4.59461850 7.63880450 -23.62154714
0.00015730 0.00020023 -0.00010213
-0.00893669 0.01719794 0.02796192
2.57260019 2.31140903 -1.15856032
0.00008139 -0.00031549 0.00033323
0.00366660 -0.03289381 -0.01483374
15.51656362 7.42992239 4.60261961
-0.00002848 -0.00012887 -0.00022879
0.00080777 -0.00139601 0.03029091
-9.49604319 -4.67445082 7.78150294
-0.00018469 0.00002456 0.00152260
-0.01157037 0.00258537 -0.00458892
-10.17574219 -3.87929737 5.04275942
0.00036733 -0.00096101 0.00028947
0.00391400 -0.00853905 0.00026071
-12.83373339 4.76810372 8.53747451
-0.00001254 -0.00018309 -0.00030740
0.01007328 -0.00026683 -0.00675093
-13.75415817 1.93748573 8.63015588
-0.00073488 0.00007565 -0.00008625
0.00875380 -0.01762493 -0.01070793
-15.34777291 2.05767500 5.12991169
-0.00048315 0.00088424 0.00005996
-0.00744654 -0.02053324 -0.03738168
-17.37279039 0.21292593 4.01126476
-0.00001565 0.00113946 -0.00062518
0.01540907 0.01498380 -0.00967962
3.17168051 -21.29069695 11.76749391
0.00037538 -0.00071806 -0.00006338
-0.01588282 0.01085423 0.01311755
3.64399764 -19.70350911 14.23858110
-0.00018072 0.00105575 -0.00104974
0.01696130 0.00392087 0.01726138
8.71044266 18.75507417 1.15374193
0.00099464 -0.00046843 -0.00026192
-0.00140447 0.00776399 -0.00214893
8.54604425 21.66498215 1.99339025
0.00035583 0.00100052 0.00041446
0.00328148 -0.01164713 -0.00136895
-11.10092285 11.66731494 16.48850417
-0.00100983 0.00005460 0.00010432
-0.00875786 0.02225740 -0.00673813
-12.58030506 14.20248727 15.77127410
0.00013771 -0.00033109 -0.00010343
-0.00170553 0.01012562 0.00787350
-5.20863799 0.14538762 -13.23582268
0.00064232 -0.00032845 -0.00023402
-0.01362113 0.01563516 0.00408961
-6.70786317 0.57625027 -10.76220684
-0.00004958 -0.00087443 0.00071259
0.00341132 0.01384186 -0.01046899
-6.83440334 6.31046724 -5.00300772
-0.00039409 0.00032679 -0.00044602
-0.00736898 0.01253343 -0.00671188
-9.11350731 8.00831172 -5.42768863
0.00032630 0.00026062 0.00001411
-0.01395250 -0.00050310 0.00618777
-8.27123545 -3.17228593 19.06774876
0.00110347 0.00002091 -0.00070830
-0.00256004 0.00548403 0.00999976
-7.94792428 -6.04392199 18.47327334
-0.00066750 0.00064594 -0.00035342
-0.00491960 0.00476060 0.00311237
-23.39423292 -3.50958653 -23.49728754
-0.00061343 0.00021318 -0.00083208
-0.00020141 0.01047845 0.00237008
-23.00752622 -4.98480636 -20.89501854
-0.00001385 -0.00081996 -0.00038993
-0.00431129 0.01265711 -0.00919079
6.82866027 13.25982418 4.32726675
0.00110221 -0.00021418 -0.00013413
0.00588279 0.00517613 -0.01507677
8.22888898 11.85607232 6.50339913
-0.00003022 0.00052001 -0.00031267
-0.02595111 0.01192683 -0.00643843
24.88827056 28.75371691 -2.26129671
0.00027368 0.00018563 0.00002132
-0.00551386 0.02648813 -0.00804536
24.08363732 31.60907066 -1.65939278
0.00048517 -0.00054313 -0.00031929
-0.00400107 -0.00070040 0.00294188
9.29620185 -2.18348432 -15.12927180
-0.00070212 0.00042898 -0.00094272
0.00352955 0.00130265 -0.00838798
8.00461918 -1.64209506 -12.82538336
0.00005838 -0.00206312 -0.00005202
-0.01173444 0.00049075 0.00872388
-7.69594149 -0.09551770 16.03538961
-0.00089994 -0.00059887 -0.00051133
0.01446734 -0.01068000 -0.02946307
-8.71851596 -2.07562481 14.18071127
-0.00006975 0.00097899 0.00141849
0.00112415 -0.00653292 0.00047579
-2.60865951 -26.65980665 12.83724201
0.00044137 -0.00026068 0.00024286
0.00492144 -0.00733431 0.02102925
-3.15609591 -25.90759698 10.15557894
0.00065925 -0.00013015 0.00016924
0.00248161 0.00124175 -0.01256991
-14.65909783 -2.89886761 -6.24049817
-0.00051716 -0.00027709 -0.00010721
0.00966878 -0.00231729 -0.00589924
-14.74073302 -4.65380945 -8.70021988
0.00058257 -0.00032096 -0.00011974
0.00026292 0.00197384 0.00161046
-19.27637901 -11.18982231 -16.91816743
-0.00030268 -0.00085964 -0.00094712
0.00155106 0.01767260 0.01362521
-18.40427578 -13.40533310 -18.19486604
0.00085804 0.00114922 0.00078289
-0.00501843 -0.01411189 -0.00279929
24.04978906 3.45605978 1.64622253
0.00106060 0.00135541 0.00061473
-0.01620329 -0.00249725 0.00165112
22.91478298 5.14604581 3.85175917
0.00045146 0.00013182 -0.00043237
0.00043507 0.00696710 0.00553703
16.26884536 -10.03672018 -13.30551380
0.00116543 -0.00027554 -0.00018927
-0.00965542 0.00806084 0.01569928
17.03205742 -10.05731698 -15.99776342
0.00002052 -0.00055574 -0.00007840
-0.00546891 0.00850910 -0.03418624
-0.44905112 2.18441089 -8.03141598
0.00031571 -0.00040907 0.00034920
-0.01089016 -0.00616438 0.01120192
-2.24500135 0.03549877 -7.21695868
-0.00015494 -0.00001272 0.00137277
-0.00366889 -0.01271060 -0.00955246
-5.52712772 -3.73566998 -16.68344230
0.00081824 -0.00114155 0.00010620
-0.01369232 -0.00959601 -0.01273011
-3.63006499 -1.59731684 -16.62628149
-0.00094606 0.00036892 0.00004562
-0.00379153 -0.00833094 -0.00002475
12.63648579 18.87041148 -20.60570696
-0.00088827 -0.00052692 0.00078717
0.00071036 0.00032530 -0.00293741
11.91545479 16.18072287 -20.11919837
-0.00045961 0.00011239 -0.00024757
0.00236990 -0.00420628 -0.00228605
-15.23632719 15.67518660 -13.81304536
-0.00023363 0.00020107 -0.00001150
-0.03085807 0.00470319 0.04811501
-17.67276763 15.09478583 -12.14815730
0.00132246 0.00013227 0.00036843
0.00343999 -0.00211474 -0.00936633
2.64397133 14.97908037 5.88999487
-0.00075298 0.00034399 -0.00086348
-0.00975962 0.00925958 0.00606904
0.60678319 15.81175532 8.21896094
0.00012927 0.00035389 -0.00088717
0.03054686 -0.02441427 -0.02733883
-5.90300495 -8.33194262 1.27508061
0.00064430 -0.00000675 0.00072071
-0.02982640 0.05457060 -0.03200222
-3.54772945 -9.74649979 1.70353019
-0.00009445 -0.00126536 0.00036142
-0.00867634 -0.00390610 0.00696240
2.53360466 -4.86120429 2.89953488
0.00158930 -0.00096728 -0.00014185
-0.01067589 0.07709567 0.00751252
4.48424255 -6.58692910 1.41351353
-0.00004653 -0.00037366 0.00041635
-0.00247088 0.00824425 0.00674283
9.24604933 5.71737733 4.07060726
0.00083009 -0.00018089 -0.00096942
-0.00253313 0.00625220 -0.00751874
12.07302597 6.31502493 4.73989908
-0.00007900 0.00035502 -0.00006031
-0.00210262 -0.00566262 -0.00193527
-7.36913518 -10.90965193 -2.55252576
0.00015734 0.00030540 -0.00034402
0.03379848 -0.04683935 0.02172275
-9.69766024 -9.26080570 -1.50449293
0.00063529 -0.00015156 -0.00032185
-0.00058849 -0.01014937 0.01247965
4.59695145 -16.54686406 -14.24772953
0.00024419 0.00047311 -0.00051438
-0.03251136 0.02277883 0.00976636
3.80195462 -17.04505261 -11.68738275
0.00051960 -0.00015080 -0.00096716
-0.03958851 0.03157229 -0.02699239
5.70391855 -6.92422627 -5.95304292
-0.00016773 0.00025101 -0.00038631
0.01729353 0.02600845 -0.02169173
5.01886237 -8.14950334 -3.62784267
-0.00012855 0.00009468 0.00001206
-0.00848511 -0.01671058 -0.02868390
16.80816895 1.58290047 24.67641371
0.00047729 0.00118989 0.00031709
0.00912251 0.00600265 -0.00339711
19.79628877 2.32930816 24.57768445
-0.00054449 0.00043267 -0.00106648
-0.00450683 0.00702950 0.00626190
-9.75842695 3.78278085 2.34113944
-0.00012669 0.00147311 0.00009779
-0.00889479 -0.00972033 0.00234506
-7.49744473 4.62150534 0.91210521
0.00059566 -0.00086988 0.00042856
0.00914244 0.00339373 -0.00500082
-6.42439763 14.25661596 -9.18590385
0.00065315 -0.00059174 0.00069309
0.02480526 0.00528809 0.01967909
-9.14963604 13.74330597 -9.49108921
0.00105795 -0.00008905 -0.00045354
-0.02123122 -0.00636666 0.00890654
0.28949644 10.91443950 -7.92241474
0.00097681 0.00007413 0.00104177
0.00157055 -0.00547875 -0.00782519
2.58263507 12.38202038 -7.78178216
0.00018944 -0.00087966 0.00064970
0.03043116 0.02458087 0.02329113
-10.19622382 9.04459194 -13.78827866
-0.00029622 0.00078263 -0.00006351
-0.00901197 0.00225779 0.00662822
-12.62000764 9.94146514 -12.33656685
0.00053728 -0.00003175 -0.00144508
-0.00897158 -0.00952914 0.02549206
7.27507675 6.16403905 14.97585000
0.00030924 0.00020235 -0.00193627
0.00195278 0.02506216 -0.00070600
7.22066240 4.28811169 12.86430263
0.00043840 0.00107626 0.00002032
0.00371667 -0.00436179 0.01333210
-13.78633047 10.59072047 -8.52002311
0.00053681 -0.00064849 -0.00028562
0.01004491 0.02291914 0.01434425
-16.22000732 9.91547038 -9.90528362
0.00070100 -0.00038280 0.00000777
-0.01677424 0.00100947 -0.00093365
8.37866972 9.86806013 -2.32083723
-0.00094068 0.00073075 -0.00063773
0.00028761 0.01506891 0.00711305
7.36843668 8.49070243 -4.66050899
0.00068305 0.00023057 -0.00100662
0.02733208 -0.00313984 0.04578285
12.07466274 -20.19951398 -26.52008942
0.00039703 0.00048118 0.00093635
0.00679691 -0.00120362 0.00495998
13.66513499 -19.99881687 -24.06167576
0.00040589 -0.00106065 -0.00030265
-0.00271132 0.00082535 0.01289121
5.74735479 4.79002216 2.55861319
0.00083105 0.00125543 -0.00129307
0.00694825 0.01509706 -0.00970353
6.37037950 7.31711074 0.88924952
0.00026906 -0.00005782 -0.00057568
0.00200652 -0.01314872 0.00284850
20.47504217 -6.45573012 -5.74331797
-0.00072014 0.00048905 -0.00052777
0.01183979 -0.00742543 0.01072552
17.73850005 -5.28136631 -5.38181259
-0.00051103 0.00011342 0.00003712
0.02109452 -0.00249090 -0.02157584
-2.68386143 0.37607571 -1.12461421
0.00077379 0.00057365 0.00120134
0.01301627 -0.00911934 -0.01223987
-2.50952627 0.95394124 -3.94638417
-0.00006879 -0.00011408 -0.00030384
0.00511192 0.01125408 -0.01900204
3.54102317 -3.20941343 -12.16957920
0.00068204 -0.00044024 -0.00017531
0.01240724 -0.01533292 0.00019797
0.71699024 -2.50330744 -11.55533208
0.00113995 -0.00051183 -0.00057776
-0.00423450 -0.00671684 0.00641750
19.39106953 8.39969778 -6.56225615
-0.00082575 0.00082877 0.00091015
0.00470409 -0.01233592 -0.01166728
21.93339129 8.57340007 -4.76028538
-0.00069633 0.00017732 -0.00045761
-0.03084111 0.00940039 -0.01238912
-7.43010607 4.65657184 8.91709184
0.00056083 -0.00021739 0.00025452
0.00282684 -0.00187759 0.00611840
-7.62439101 6.24599116 11.38111144
-0.00068279 0.00016786 -0.00049472
-0.00033299 0.00520947 -0.04231467
-3.15872293 -16.34484534 11.34026125
-0.00051033 0.00052502 -0.00097996
0.00919622 0.01365452 -0.00081737
-4.15442544 -13.67353340 11.65619543
0.00003989 -0.00081364 -0.00053947
-0.00320138 0.00039040 -0.00307304
8.46568719 0.55121117 -3.15354181
0.00034343 0.00008796 -0.00099321
-0.00265401 -0.00620913 -0.00691371
7.81222360 2.08092102 -5.70017508
0.00013181 -0.00039472 -0.00070513
0.00259764 -0.03551503 0.01052534
1.19443585 -10.68787200 1.62284701
-0.00069635 -0.00023690 0.00025613
-0.01921855 -0.00317438 -0.00265072
0.10251439 -8.39223690 0.34187474
-0.00020230 -0.00016363 0.00015461
0.00152425 0.01340789 -0.01182436
-20.15139496 -1.37011221 6.61400260
-0.00042496 -0.00042589 0.00041056
0.00358645 -0.00475627 0.01237054
-21.24953792 0.27454610 4.43788674
-0.00087206 0.00062931 0.00005778
0.02192534 -0.02661528 0.00210891
-3.84169687 8.36633932 -25.14439492
0.00017848 -0.00028163 -0.00183985
0.00745459 0.00265220 0.00114880
-4.49648509 9.02793303 -22.36517549
-0.00043694 -0.00042218 0.00113067
0.00069084 -0.02154859 -0.01724109
3.89092824 1.07139661 -0.91283705
0.00053566 0.00113552 0.00002281
0.01119156 0.01056113 0.00211544
1.27240451 1.08406962 -1.83497780
0.00026849 -0.00075537 0.00098289
-0.00642443 0.02729899 0.00173757
15.86745209 7.57842474 6.47140970
-0.00062487 0.00060009 -0.00053715
-0.00417997 -0.00107389 -0.03140233
15.86071143 9.06344773 3.89316888
0.00002322 -0.00134860 0.00068429
0.00081640 0.00607717 -0.00327055
-0.33011839 -11.81838000 -13.24593355
0.00010855 -0.00001137 0.00022945
0.01125860 -0.00012765 -0.00151702
-13.94109969 14.47517533 22.20182161
-0.00001937 -0.00012627 0.00015005
-0.00152104 -0.00227922 0.00131029
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02966482
0.34490460
459.56808658
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3904612033 (a.u.)
total exchange computation time: 2.6711139679 s
-154.3301007172
-931.36874603
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3901019643 (a.u.)
total exchange computation time: 2.6701459885 s
-154.3335541343
Anderson extrapolation: theta=1.3572939006 (1.3572939006)
-931.36898444
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3895389940 (a.u.)
total exchange computation time: 2.6715741158 s
-154.3387747376
Anderson extrapolation: theta=0.0551821737 (0.0551821737)
-931.36912756
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3894460117 (a.u.)
total exchange computation time: 2.6737878323 s
-154.3395554961
Anderson extrapolation: theta=1.9965137610 (1.9965137610)
-931.36913328
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3892407408 (a.u.)
total exchange computation time: 2.6693749428 s
-154.3412336334
Anderson extrapolation: theta=0.2226269637 (0.2226269637)
-931.36913950
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3891904226 (a.u.)
total exchange computation time: 2.6698200703 s
-154.3416087367
Anderson extrapolation: theta=1.8086556055 (1.8086556055)
-931.36914066
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3891166577 (a.u.)
total exchange computation time: 2.6735389233 s
-154.3421173725
Anderson extrapolation: theta=0.2723222777 (0.2723222777)
-931.36914195
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3891138707 (a.u.)
total exchange computation time: 2.6704049110 s
-154.3420923726
Anderson extrapolation: theta=1.3166230951 (1.3166230951)
-931.36914221
-208.744820 49.939379 -204.317635
-133.225239 460.337799 -800.378606
-341.970060 510.277178 -1004.696241
1177.599616
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3891224979 (a.u.)
total exchange computation time: 2.6699619293 s
679.15071991
-1084.43680410
89.81756013
-388.63664004
-174.87485574
78.66743283
551.60419304
0.00000000
-931.36914233
-10.92305384 -4.26809979 6.68090278
0.00006091 -0.00007935 -0.00018851
0.01747031 -0.00856871 0.01782513
-13.97148466 3.60887379 9.29959051
0.00032067 0.00024954 -0.00024929
-0.02229095 0.01981223 0.02123486
-15.94436339 1.39231408 3.42390819
-0.00005069 0.00012945 -0.00000836
-0.00793837 0.01152603 0.04296183
2.58035086 -19.83194062 12.82132646
0.00030121 0.00001653 0.00014329
-0.01076607 -0.01718427 -0.03982622
9.60721359 20.36560358 1.16420575
-0.00016784 -0.00008190 0.00040447
-0.00519689 0.01025151 -0.00075361
-12.08274694 12.56582262 15.18144495
-0.00017006 -0.00002301 0.00017783
0.02355016 -0.01952429 -0.00504722
-6.22779451 1.45490243 -12.39406913
0.00017045 -0.00002334 -0.00044851
0.00594074 -0.03166593 0.01355115
-7.42290996 7.77459649 -5.98404310
-0.00007317 -0.00016908 -0.00017362
0.01735200 -0.01425308 -0.00906834
-7.74743425 -4.33951563 17.80687155
-0.00017212 -0.00003041 0.00012294
0.01205715 -0.02460882 -0.01250844
-23.54652391 -5.10915963 -22.64041441
-0.00015630 -0.00035352 -0.00012522
-0.00325318 -0.01293380 -0.00077711
6.60147364 12.76787437 6.04782306
-0.00007046 -0.00003216 0.00003258
0.02789082 -0.01708138 0.01241294
24.75334761 30.50330245 -2.95427483
0.00012230 0.00024746 -0.00013972
0.00443094 -0.03128846 -0.00044216
7.91850865 -1.06147788 -14.54673149
0.00002733 0.00043895 -0.00012531
-0.00064018 -0.00079029 0.01923697
-7.32982165 -0.91893981 14.33379664
-0.00020466 0.00009263 -0.00028799
-0.00592158 0.02423357 0.01428932
-1.75622842 -26.20935405 11.28010497
0.00017965 0.00011705 -0.00022790
-0.00477639 0.00183474 -0.01257818
-14.05648531 -4.48211955 -6.99692806
0.00016852 0.00026605 0.00010590
-0.00752023 -0.00571110 -0.00425670
-20.01125955 -12.62893763 -17.71541220
0.00002595 -0.00008034 0.00023628
0.00558465 -0.01150713 -0.01437598
22.75684867 3.55430031 3.00382288
0.00003493 -0.00026362 0.00002017
0.00906824 0.00233085 0.00069789
17.69904525 -10.27241496 -14.37298837
-0.00035493 -0.00030947 0.00002879
0.02528903 -0.00995719 0.01290590
-1.99943761 1.80258983 -7.02518722
0.00026760 -0.00021597 0.00000487
0.00748751 0.02337301 -0.01762378
-4.27005691 -3.03141288 -15.63207516
-0.00028323 0.00008570 -0.00008775
0.02035308 0.02150721 0.00936397
13.37852217 17.29164225 -19.99045782
0.00019249 0.00019747 0.00035452
0.00031653 -0.00227240 -0.00262580
-16.12425857 16.08971517 -12.09526317
0.00045348 0.00008708 0.00002114
0.03425914 0.00478375 -0.02932702
1.92313933 14.57344812 7.54424338
0.00055881 0.00029745 0.00014630
-0.03486049 0.01136411 0.02297571
-5.35454711 -9.65866221 2.22356737
-0.00014354 -0.00012078 0.00017760
0.04715588 -0.05791434 0.03053700
3.07794887 -6.45728057 2.62187234
-0.00010357 -0.00017878 0.00027947
0.02333912 -0.09013360 -0.01275015
10.86282231 4.93939955 4.42535116
-0.00011538 0.00021843 -0.00012174
0.00775676 0.00981269 0.01776826
-8.52109627 -9.65034581 -2.82638876
-0.00006641 0.00027316 -0.00041270
-0.03366144 0.05380546 -0.03648444
3.13093713 -15.93429470 -13.17139208
0.00004761 0.00001903 0.00025085
0.06475075 -0.04837464 0.01288843
4.80075354 -8.39207606 -5.49735451
-0.00011062 0.00020384 0.00051652
-0.00980780 -0.00583499 0.04903227
18.55470376 0.97519038 24.68012343
-0.00001723 0.00010042 -0.00018135
-0.00911564 -0.01435882 -0.00055948
-8.48477846 3.10815457 1.15798226
-0.00041213 -0.00004475 0.00012303
0.01145134 0.00061994 -0.00513528
-7.69044431 14.22096229 -10.41806331
0.00018656 -0.00002703 0.00030710
0.00880066 0.00267837 -0.02924114
1.71678523 11.42008484 -8.98551085
-0.00002789 0.00009709 -0.00011693
-0.03184636 -0.01743877 -0.01513590
-11.70618351 10.09895599 -13.85810992
0.00023562 0.00014223 0.00006260
0.01957513 0.00688409 -0.04116485
6.96069165 4.42988395 14.71669938
-0.00048500 0.00015650 0.00015311
0.00206758 -0.02762882 -0.02111484
-14.79869428 9.19549614 -9.07218085
-0.00041588 -0.00021440 0.00029279
0.00514500 -0.02828672 -0.01014620
8.50098874 8.23634389 -3.08609670
-0.00000337 -0.00028146 0.00000805
-0.02867734 0.00229688 -0.04817939
13.76520252 -20.44595577 -25.84548619
0.00007885 -0.00006258 -0.00026353
-0.00437214 0.00010513 -0.01709334
6.24381285 6.60996348 2.58202011
-0.00029336 0.00011566 -0.00001110
-0.00418859 0.00335669 -0.00027312
19.08393224 -5.78510246 -6.65106448
-0.00022769 -0.00009587 -0.00017886
-0.04681686 0.01282937 0.01582484
-1.67736311 -0.02177120 -2.67132527
0.00006150 -0.00021974 -0.00019867
-0.01399105 -0.00870290 0.05511935
2.34354090 -1.85698847 -12.14289817
-0.00024264 0.00021918 0.00038387
0.01971099 0.01825488 -0.01507073
20.22975809 9.36096563 -5.30349363
-0.00056048 -0.00007533 -0.00021795
0.03651028 0.00918868 0.02359590
-7.53517698 6.42378222 9.46909358
-0.00022584 -0.00012636 0.00021359
-0.00996094 -0.00517217 0.03956253
-2.58803555 -14.57778020 11.46124091
0.00022093 0.00008661 -0.00012627
-0.00612014 -0.01784790 0.00713018
8.12416764 0.27822726 -4.93558734
0.00000877 -0.00022917 0.00025369
-0.00408137 0.03882647 -0.01058382
-0.10783235 -10.19079955 0.36442814
-0.00013893 -0.00031319 -0.00026945
0.01100952 -0.01641610 0.01369303
-20.17607850 -1.28677264 4.77910408
-0.00016251 0.00028309 0.00000456
-0.02331041 0.03301067 -0.01254621
-4.59229353 7.64187429 -23.62297120
0.00015326 0.00020954 -0.00008902
-0.00674972 0.01900826 0.02302685
2.57383514 2.30654978 -1.15361915
0.00008241 -0.00033132 0.00032545
0.00032193 -0.02867055 -0.01540860
15.51613949 7.42798392 4.59930460
-0.00002870 -0.00013207 -0.00021241
-0.00163424 -0.01105329 0.03340311
-9.49916815 -4.67400316 7.80420138
-0.00024005 0.00003796 0.00149527
-0.01552550 0.00397332 -0.00879124
-10.17011223 -3.89397416 5.04710951
0.00038739 -0.00099433 0.00028515
0.00590076 -0.00776974 -0.00237601
-12.83361283 4.76534913 8.53265660
0.00003363 -0.00018007 -0.00033864
0.01252912 0.00174726 -0.00854126
-13.76491320 1.93808042 8.62853396
-0.00069854 0.00000328 -0.00012998
0.00903831 -0.01779965 -0.01069768
-15.35524830 2.07030935 5.12966565
-0.00051403 0.00079940 -0.00009398
-0.00767184 -0.02099315 -0.03797224
-17.37255300 0.23047701 4.00159040
0.00004199 0.00119495 -0.00066173
0.01280703 0.01217942 -0.00820825
3.17682453 -21.30113521 11.76694519
0.00030804 -0.00066733 -0.00000494
-0.01708094 0.01397513 0.01548968
3.64180658 -19.68755275 14.22336397
-0.00009842 0.00107338 -0.00096277
0.02332744 0.00471143 0.02530808
8.72531915 18.74828559 1.14974731
0.00098439 -0.00043751 -0.00026932
-0.00361071 0.00737304 -0.00147486
8.55148222 21.67963304 1.99956528
0.00036995 0.00094602 0.00040670
0.00362998 -0.01502983 -0.00243417
-11.11633862 11.66881600 16.48986248
-0.00104119 0.00014169 0.00008180
-0.00659362 0.02037316 -0.00428724
-12.57829166 14.19783119 15.76996389
0.00012853 -0.00028332 -0.00006921
-0.00278788 0.01325626 0.00888045
-5.19942064 0.14093991 -13.23920759
0.00058397 -0.00026141 -0.00021533
-0.01493808 0.01718381 0.00505711
-6.70850234 0.56355793 -10.75183880
-0.00003224 -0.00081085 0.00065735
0.00507610 0.01728347 -0.01656935
-6.84054054 6.31575317 -5.00990366
-0.00042090 0.00037032 -0.00046851
-0.00575444 0.00877278 -0.00429623
-9.10904043 8.01220564 -5.42728738
0.00026554 0.00025968 0.00004066
-0.01578968 0.00004222 0.00680810
-8.25476185 -3.17180419 19.05743061
0.00108854 0.00005342 -0.00065581
-0.00474650 0.01043101 0.01569582
-7.95808756 -6.03408706 18.46806743
-0.00068876 0.00065567 -0.00033644
-0.00548800 0.00000513 0.00520023
-23.40344053 -3.50606769 -23.50969615
-0.00061483 0.00024546 -0.00081539
-0.00048459 0.00532114 0.00580195
-23.00786613 -4.99671790 -20.90114920
-0.00002984 -0.00076641 -0.00042365
-0.00351522 0.01355565 -0.00731520
6.84537366 13.25677009 4.32479278
0.00112393 -0.00019322 -0.00019181
0.00474972 0.00508514 -0.01315969
8.22764049 11.86423800 6.49851177
-0.00013370 0.00056649 -0.00033623
-0.02470385 0.01082230 -0.00509334
24.89220674 28.75731301 -2.26122339
0.00025124 0.00029434 -0.00001297
-0.00546886 0.02672690 -0.00873973
24.09079227 31.60090218 -1.66409201
0.00046468 -0.00053845 -0.00029959
-0.00602842 0.00299536 0.00670258
9.28577823 -2.17700966 -15.14366957
-0.00068477 0.00043327 -0.00097863
0.00496189 0.00079729 -0.00919150
8.00513536 -1.67302677 -12.82589634
0.00000991 -0.00205558 -0.00002950
-0.01199347 0.00319697 0.00229947
-7.70899727 -0.10482798 16.02681678
-0.00083801 -0.00063695 -0.00062728
0.01584994 -0.00796032 -0.02729247
-8.71952774 -2.06114010 14.20200321
-0.00007517 0.00094139 0.00141520
-0.00377891 -0.01187555 -0.00208732
-2.60188808 -26.66394166 12.84152935
0.00046352 -0.00028905 0.00032287
0.00591804 -0.00654923 0.01813659
-3.14613105 -25.90951119 10.15773228
0.00066131 -0.00012351 0.00011231
-0.00147607 0.00201078 -0.01529373
-14.66655891 -2.90309498 -6.24228708
-0.00047906 -0.00028241 -0.00012962
0.00897796 -0.00028565 -0.00506966
-14.73198635 -4.65856343 -8.70196660
0.00058406 -0.00031215 -0.00011137
0.00046357 0.00233913 0.00248351
-19.28087162 -11.20217530 -16.93195674
-0.00029052 -0.00076748 -0.00088045
0.00439817 0.02744034 0.01901240
-18.39155895 -13.38852718 -18.18320846
0.00083541 0.00108869 0.00076993
-0.00605863 -0.01552130 -0.00354330
24.06520159 3.47631447 1.65549414
0.00099115 0.00134142 0.00062260
-0.01779420 -0.00435306 0.00219793
22.92156821 5.14823665 3.84544322
0.00045084 0.00015758 -0.00040891
-0.00073637 0.00564231 0.00594890
16.28603102 -10.04060625 -13.30787174
0.00110794 -0.00023953 -0.00011281
-0.01848960 0.00956517 0.02172501
17.03219768 -10.06539235 -15.99998701
-0.00000258 -0.00052063 -0.00021746
-0.00584103 0.00867939 -0.03388596
-0.44464913 2.17808593 -8.02583469
0.00027318 -0.00043473 0.00039319
-0.00993125 -0.00639721 0.01032903
-2.24743785 0.03491844 -7.19665979
-0.00016936 -0.00006892 0.00133208
-0.00339066 -0.01479816 -0.01036881
-5.51527374 -3.75308725 -16.68223934
0.00075796 -0.00118322 0.00005014
-0.01581265 -0.01080370 -0.01471273
-3.64437212 -1.59203831 -16.62559787
-0.00096127 0.00033506 0.00004468
-0.00365129 -0.00824574 -0.00043722
12.62318349 18.86251770 -20.59398934
-0.00088527 -0.00051879 0.00077337
0.00075925 0.00365315 -0.00381785
11.90863319 16.18227984 -20.12298194
-0.00044199 0.00009824 -0.00025557
0.00625811 -0.00272219 -0.00162963
-15.24077717 15.67834678 -13.81174345
-0.00035675 0.00021998 0.00018215
-0.02941222 0.00455521 0.04667530
-17.65282531 15.09670511 -12.14291781
0.00132592 0.00011754 0.00033072
-0.00174808 -0.00509764 -0.00909248
2.63237761 14.98452394 5.87722866
-0.00079343 0.00037876 -0.00083413
-0.01004237 0.00776173 0.00829496
0.60965832 15.81631558 8.20481568
0.00025298 0.00025395 -0.00099618
0.03000875 -0.02450765 -0.02602458
-5.89425443 -8.33037164 1.28491062
0.00052137 0.00022287 0.00058578
-0.03035058 0.05782908 -0.03404880
-3.54941201 -9.76559991 1.70916488
-0.00013079 -0.00127996 0.00038920
-0.00911404 -0.00323910 0.00663503
2.55711700 -4.87335098 2.89763740
0.00153671 -0.00062419 -0.00010608
-0.01506460 0.09084469 0.00999308
4.48346893 -6.59228143 1.41996541
-0.00005596 -0.00034161 0.00044377
-0.00214716 0.00744587 0.00667821
9.25842307 5.71485550 4.05583553
0.00080851 -0.00015020 -0.00100189
-0.00803226 0.00877217 -0.00837500
12.07177658 6.32017678 4.73893512
-0.00008875 0.00033043 -0.00006826
-0.00266905 -0.00637875 -0.00195739
-7.36573938 -10.90650624 -2.55702036
0.00029247 0.00011823 -0.00025654
0.03234622 -0.04478224 0.02109688
-9.68814898 -9.26339017 -1.50893822
0.00062795 -0.00019102 -0.00026543
-0.00300166 -0.00916560 0.01513880
4.59961811 -16.53906936 -14.25514599
0.00010808 0.00056738 -0.00047210
-0.03411868 0.02336443 0.01093289
3.80853546 -17.04634708 -11.70271733
0.00035926 -0.00002530 -0.00107086
-0.03889725 0.02985743 -0.02376965
5.70193249 -6.91966420 -5.95950230
-0.00010000 0.00035236 -0.00047220
0.01586434 0.02360412 -0.02035045
5.01667413 -8.14859515 -3.62854074
-0.00016206 0.00002823 -0.00009926
-0.00791963 -0.01581726 -0.02580822
16.81560783 1.60093277 24.68106602
0.00051158 0.00121228 0.00030315
0.00766121 0.00495874 -0.00342944
19.78798333 2.33601364 24.56187911
-0.00056080 0.00046047 -0.00104027
-0.00347856 0.00657983 0.00656894
-9.76059983 3.80457959 2.34267818
-0.00016090 0.00143041 0.00010500
-0.00785159 -0.01117917 0.00118555
-7.48822965 4.60856112 0.91838041
0.00063457 -0.00085400 0.00040665
0.00990111 0.00437933 -0.00572555
-6.41384031 14.24790187 -9.17490441
0.00074565 -0.00057038 0.00076482
0.02047285 0.00516884 0.01542995
-9.13441734 13.74177516 -9.49761943
0.00095616 -0.00011996 -0.00040772
-0.02859703 -0.00876317 0.01352246
0.30419672 10.91538357 -7.90702795
0.00097983 0.00005013 0.00100817
-0.00009317 -0.00626970 -0.00862434
2.58640916 12.36957878 -7.77132301
0.00031463 -0.00078016 0.00074156
0.03085016 0.02412232 0.02167817
-10.20094335 9.05640062 -13.78902827
-0.00032337 0.00078515 -0.00003609
-0.00427479 -0.00102608 0.00679820
-12.61222336 9.94069696 -12.35746197
0.00048735 -0.00007276 -0.00131930
-0.01547021 -0.01054996 0.03608225
7.27977519 6.16784225 14.94678436
0.00031703 0.00030783 -0.00193448
0.00185986 0.02657240 0.00158046
7.22735229 4.30412186 12.86501599
0.00045181 0.00105353 0.00007574
0.00284938 -0.00676330 0.01379401
-13.77797048 10.58169551 -8.52386783
0.00057683 -0.00055563 -0.00022786
0.00954356 0.02253460 0.01392781
-16.21000634 9.90975934 -9.90519565
0.00062161 -0.00037292 -0.00000248
-0.02208774 0.00382423 -0.00408315
8.36456830 9.87948320 -2.33018524
-0.00093787 0.00078127 -0.00061247
0.00108950 0.00965738 0.00525516
7.37952001 8.49406471 -4.67420532
0.00079571 0.00021499 -0.00081717
0.02781300 -0.00448700 0.04695485
12.08082645 -20.19233321 -26.50589217
0.00041560 0.00047750 0.00095179
0.00229586 -0.00059839 0.00259619
13.67114026 -20.01470138 -24.06582055
0.00039550 -0.00105620 -0.00024639
-0.00237283 0.00135542 0.01465167
5.76003347 4.80931629 2.53891974
0.00085429 0.00130054 -0.00133065
0.00442794 0.00698490 -0.00869165
6.37447691 7.31584049 0.88070160
0.00027715 -0.00011223 -0.00055716
0.00195359 -0.01348436 0.00621518
20.46460290 -6.44862196 -5.75090589
-0.00066072 0.00045351 -0.00047686
0.01724694 -0.00996755 0.01419492
17.73148103 -5.27974136 -5.38191697
-0.00042251 0.00010225 -0.00005366
0.02223582 -0.00297420 -0.02286196
-2.67185575 0.38440101 -1.10696919
0.00083096 0.00053403 0.00114059
0.01497181 -0.01027530 -0.01749810
-2.51040142 0.95257486 -3.95152407
-0.00004690 -0.00006919 -0.00037744
0.00560262 0.01072257 -0.01702491
3.55163400 -3.21648695 -12.17220271
0.00072084 -0.00048846 -0.00017458
0.00658243 -0.00826937 0.00015749
0.73395969 -2.51119070 -11.56380185
0.00110670 -0.00054409 -0.00054567
-0.01203970 -0.00907639 0.00929011
19.37882746 8.41175129 -6.54896137
-0.00081546 0.00076752 0.00084767
0.00033235 -0.01764416 -0.01891686
21.92200133 8.57634787 -4.76752920
-0.00082012 0.00021384 -0.00050732
-0.02975634 0.00847669 -0.01194307
-7.42160702 4.65325348 8.92109719
0.00057226 -0.00022399 0.00027991
0.00277000 -0.00135486 0.00630699
-7.63464307 6.24866871 11.37239401
-0.00068430 0.00018813 -0.00065891
-0.00040459 0.00471134 -0.03805636
-3.16609612 -16.33655157 11.32553682
-0.00047107 0.00057705 -0.00098338
0.01002283 0.01181108 -0.00085515
-4.15392525 -13.68572597 11.64800916
0.00002275 -0.00080687 -0.00055120
-0.00518600 0.00291904 -0.00266924
8.47075738 0.55234028 -3.16865182
0.00033558 0.00006534 -0.00100463
-0.00119283 -0.00486267 0.00132297
7.81428036 2.07391188 -5.71042950
0.00014267 -0.00054068 -0.00066002
0.00271769 -0.03593295 0.01155578
1.18340176 -10.69152283 1.62660775
-0.00077379 -0.00025044 0.00024501
-0.01869267 -0.00345170 -0.00279080
0.09952656 -8.39428049 0.34383150
-0.00019668 -0.00011139 0.00010603
0.00122660 0.01216433 -0.01195279
-20.15765952 -1.37664632 6.62054000
-0.00041064 -0.00044378 0.00045369
0.00342710 -0.00399958 0.00874291
-21.26194702 0.28317015 4.43881805
-0.00077830 0.00051548 0.00006806
0.02397119 -0.02910592 0.00292301
-3.83879124 8.36219622 -25.17195746
0.00020301 -0.00027323 -0.00181778
0.00455404 0.00145853 0.00965606
-4.50301801 9.02094006 -22.34874372
-0.00043259 -0.00051109 0.00105348
0.00143626 -0.02197409 -0.02054403
3.89930610 1.08875307 -0.91243002
0.00058866 0.00117104 0.00003247
0.01475298 0.00682696 0.00260879
1.27623497 1.07357563 -1.82018117
0.00024254 -0.00064443 0.00098913
-0.00627688 0.02700645 0.00131342
15.85795093 7.58739313 6.46239012
-0.00064103 0.00059358 -0.00066011
-0.00372795 -0.00211151 -0.02878477
15.86108481 9.04340499 3.90333297
0.00003066 -0.00130217 0.00065962
0.00282133 0.01664750 -0.00880645
-0.32845990 -11.81855096 -13.24249583
0.00011258 -0.00001139 0.00022892
0.01127641 0.00003012 -0.00144574
-13.94139295 14.47327728 22.20407460
-0.00001972 -0.00012680 0.00015037
-0.00146553 -0.00224708 0.00145583
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.02962478
0.33951755
452.39011595
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1365711195
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4103243493 (a.u.)
total exchange computation time: 2.6390569210 s
-154.4108343406
-931.36411307
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1365711195
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4095774278 (a.u.)
total exchange computation time: 2.6402411461 s
-154.4169707758
Anderson extrapolation: theta=1.3873257661 (1.3873257661)
-931.36438062
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1365711195
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4084059306 (a.u.)
total exchange computation time: 2.6415510178 s
-154.4262239326
Anderson extrapolation: theta=0.0686803369 (0.0686803369)
-931.36455109
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1365711195
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4082201757 (a.u.)
total exchange computation time: 2.6410410404 s
-154.4274958276
Anderson extrapolation: theta=2.3319949053 (2.0000000000)
-931.36456144
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1365711195
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4078160184 (a.u.)
total exchange computation time: 2.6397418976 s
-154.4301802822
Anderson extrapolation: theta=0.4203947844 (0.4203947844)
-931.36457581
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1365711195
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4076478932 (a.u.)
total exchange computation time: 2.6404011250 s
-154.4312201842
Anderson extrapolation: theta=1.0050126010 (1.0050126010)
-931.36458025
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1365711195
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4075086573 (a.u.)
total exchange computation time: 2.6417598724 s
-154.4319953965
Anderson extrapolation: theta=0.5295412306 (0.5295412306)
-931.36458364
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1365711195
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.4074693112 (a.u.)
total exchange computation time: 2.6443178654 s
-154.4321206354
Anderson extrapolation: theta=0.7350637214 (0.7350637214)
-931.36458502
-208.704233 49.954497 -204.343818
-133.174118 460.361401 -800.453161
-341.878351 510.315898 -1004.796979
1177.675716
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1365711195
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4074687617 (a.u.)
total exchange computation time: 2.6408178806 s
679.41331001
-1085.02891112
89.80956440
-388.23007724
-174.92100303
79.00257673
551.60419304
0.00000000
-931.36458574
-10.92207279 -4.26932314 6.67814395
0.00007020 -0.00008421 -0.00017758
0.01865931 -0.01030718 0.02465211
-13.96676061 3.61269334 9.29593305
0.00030862 0.00025911 -0.00023798
-0.02455666 0.01740493 0.02274609
-15.94515435 1.39430021 3.42394848
-0.00005391 0.00013617 0.00001326
-0.00459353 0.01462282 0.04112158
2.58482746 -19.83175894 12.82332215
0.00029432 0.00000678 0.00012048
-0.01603549 -0.02074473 -0.04886442
9.60467600 20.36441461 1.17026990
-0.00017009 -0.00007578 0.00040414
-0.00355998 0.01354568 -0.00051911
-12.08520699 12.56540212 15.18409297
-0.00015836 -0.00003325 0.00017428
0.02195759 -0.02029425 -0.00875557
-6.22521481 1.45443026 -12.40074456
0.00017335 -0.00004064 -0.00044030
0.00532522 -0.03561932 0.01840022
-7.42394062 7.77200531 -5.98668245
-0.00006437 -0.00017547 -0.00017905
0.01686154 -0.01058345 -0.01204752
-7.74996960 -4.34006671 17.80866747
-0.00016524 -0.00004294 0.00011460
0.01470843 -0.02410667 -0.01995771
-23.54888092 -5.11451237 -22.64229576
-0.00015808 -0.00035905 -0.00012701
-0.00368824 -0.00854529 -0.00618056
6.60052437 12.76732614 6.04835956
-0.00005627 -0.00004052 0.00003792
0.02727804 -0.01544722 0.00838078
24.75519921 30.50689363 -2.95637231
0.00012503 0.00023055 -0.00014081
0.00618436 -0.03446451 -0.00381887
7.91891618 -1.05489667 -14.54853698
0.00002678 0.00043788 -0.00011365
-0.00149793 -0.00338502 0.02612847
-7.33291442 -0.91745682 14.32953193
-0.00020678 0.00010562 -0.00028080
-0.00229828 0.02627216 0.01365943
-1.75355202 -26.20759129 11.27663799
0.00017780 0.00011748 -0.00023281
-0.00242575 -0.00013656 -0.00652704
-14.05398654 -4.47815077 -6.99535598
0.00016478 0.00026244 0.00010326
-0.00700293 -0.00833983 -0.00602687
-20.01084869 -12.63018711 -17.71192349
0.00002834 -0.00008829 0.00022779
0.00369498 -0.01939333 -0.01862481
22.75740765 3.55035505 3.00412816
0.00004021 -0.00026150 0.00002044
0.01145250 0.00590037 0.00034196
17.69381883 -10.27709537 -14.37250666
-0.00033974 -0.00031500 0.00003346
0.03379427 -0.01154116 0.00523850
-1.99539479 1.79944046 -7.02518212
0.00027100 -0.00020361 -0.00000382
0.00575402 0.02467499 -0.01617170
-4.27422683 -3.03004441 -15.63335528
-0.00027247 0.00009688 -0.00008246
0.02149465 0.02196401 0.01119369
13.38141079 17.29459553 -19.98515019
0.00019172 0.00019514 0.00035313
-0.00330492 -0.00679899 -0.00277849
-16.11732425 16.09103978 -12.09505923
0.00047191 0.00009042 0.00000653
0.03740999 0.00820792 -0.02745993
1.93138703 14.57795370 7.54652643
0.00054124 0.00030351 0.00015713
-0.03346880 0.01219171 0.01914279
-5.35651832 -9.66069729 2.22634922
-0.00011940 -0.00015081 0.00019342
0.04670379 -0.05887712 0.03095637
3.07648535 -6.46030992 2.62601524
-0.00009112 -0.00022735 0.00027245
0.02508683 -0.09872785 -0.01453997
10.86112157 4.94271386 4.42359360
-0.00010996 0.00022308 -0.00011228
0.01330688 0.00825312 0.01902316
-8.52222224 -9.64604090 -2.83271993
-0.00008225 0.00029956 -0.00043181
-0.02795260 0.04885276 -0.03783542
3.13190108 -15.93419590 -13.16757967
0.00008090 -0.00000531 0.00025628
0.06467421 -0.04626778 0.00822579
4.79905635 -8.38904094 -5.48941752
-0.00011535 0.00020143 0.00054032
-0.00855405 -0.00355649 0.04348661
18.55441009 0.97664121 24.67740095
-0.00002171 0.00009336 -0.00018185
-0.00827837 -0.01307921 -0.00136382
-8.49091627 3.10748566 1.15980796
-0.00040662 -0.00004432 0.00012075
0.00999488 0.00105410 -0.00375394
-7.68761200 14.22056716 -10.41356961
0.00019409 -0.00002502 0.00029217
0.02047550 0.00512475 -0.02880589
1.71624409 11.42147387 -8.98732319
-0.00004370 0.00008872 -0.00012386
-0.02966221 -0.01509165 -0.01179597
-11.70257363 10.10111595 -13.85732966
0.00024601 0.00014694 0.00003887
0.02082831 0.01143783 -0.05113918
6.95342465 4.43212486 14.71891456
-0.00048368 0.00014279 0.00014171
0.00306794 -0.02568828 -0.02322357
-14.80491263 9.19217105 -9.06782812
-0.00041168 -0.00022932 0.00028853
0.01118380 -0.02972304 -0.00640949
8.50082760 8.23213087 -3.08616175
-0.00001833 -0.00027851 -0.00001633
-0.02950271 0.00915780 -0.04664782
13.76636840 -20.44689408 -25.84950502
0.00007773 -0.00006276 -0.00027200
0.00000648 -0.00079430 -0.01586330
6.23939630 6.61171140 2.58185255
-0.00029476 0.00011981 -0.00001232
-0.00126628 0.01277826 -0.00446970
19.08033635 -5.78649098 -6.65368638
-0.00025316 -0.00008863 -0.00017132
-0.05223505 0.01530901 0.01350403
-1.67649451 -0.02510092 -2.67409275
0.00005380 -0.00022388 -0.00016971
-0.01595573 -0.00739627 0.05749670
2.33997732 -1.85363034 -12.13719824
-0.00022891 0.00022747 0.00037533
0.03367358 0.01396109 -0.01816032
20.22149176 9.35987110 -5.30667179
-0.00054102 -0.00006910 -0.00020422
0.03914471 0.01505337 0.02977193
-7.53860300 6.42186681 9.47245008
-0.00023083 -0.00012906 0.00023251
-0.00946308 -0.00530016 0.03400417
-2.58474522 -14.57654993 11.45937431
0.00021804 0.00007733 -0.00012268
-0.00509622 -0.01822934 0.00686168
8.12428351 0.27493953 -4.93182286
0.00000621 -0.00020952 0.00024583
-0.00587404 0.03756627 -0.01995606
-0.10987377 -10.19556067 0.36043927
-0.00013337 -0.00032113 -0.00026240
0.01059298 -0.01446187 0.01370695
-20.17860614 -1.28239890 4.77912410
-0.00017485 0.00030033 -0.00000110
-0.02465373 0.03401551 -0.00944977
-4.59002063 7.64509072 -23.62421761
0.00015026 0.00021959 -0.00007844
-0.00493030 0.02005645 0.01809370
2.57507257 2.30146934 -1.14879686
0.00008177 -0.00034496 0.00031740
-0.00281810 -0.02436191 -0.01588070
15.51570275 7.42596019 4.59624729
-0.00003022 -0.00014029 -0.00019460
-0.00428965 -0.02088353 0.03585235
-9.50324461 -4.67331199 7.82636104
-0.00031034 0.00005664 0.00145148
-0.01888150 0.00517034 -0.01264619
-10.16412064 -3.90912713 5.05131399
0.00041550 -0.00102463 0.00027021
0.00785936 -0.00706263 -0.00494001
-12.83272442 4.76270161 8.52731524
0.00008933 -0.00016921 -0.00037688
0.01473588 0.00356770 -0.01017551
-13.77511431 1.93758422 8.62625643
-0.00066128 -0.00006822 -0.00017302
0.00919855 -0.01719982 -0.01037129
-15.36319386 2.08165711 5.12709243
-0.00054518 0.00071348 -0.00024851
-0.00757323 -0.02106574 -0.03767140
-17.37153072 0.24877452 3.99141299
0.00008805 0.00123834 -0.00069200
0.00974241 0.00905756 -0.00661061
3.18092173 -21.31071699 11.76734576
0.00023644 -0.00060501 0.00006233
-0.01796974 0.01653147 0.01744104
3.64104518 -19.67130764 14.20969788
0.00000869 0.00109445 -0.00084490
0.02910064 0.00560201 0.03239219
8.73997435 18.74194887 1.14566230
0.00096520 -0.00040843 -0.00027407
-0.00578442 0.00686254 -0.00084811
8.55714266 21.69336281 2.00559112
0.00038510 0.00087832 0.00039489
0.00378743 -0.01811135 -0.00334367
-11.13215849 11.67156565 16.49095805
-0.00106304 0.00022029 0.00007021
-0.00410307 0.01810173 -0.00138422
-12.57644912 14.19398754 15.76919792
0.00011521 -0.00022375 -0.00003137
-0.00373451 0.01590700 0.00964260
-5.19111878 0.13754533 -13.24228258
0.00052100 -0.00018900 -0.00019328
-0.01589048 0.01826109 0.00573740
-6.70883042 0.55192484 -10.74248624
-0.00000867 -0.00073419 0.00057900
0.00646338 0.02023864 -0.02178683
-6.84703041 6.32157675 -5.01706291
-0.00044075 0.00039756 -0.00048054
-0.00396254 0.00456324 -0.00159574
-9.10554124 8.01610214 -5.42646889
0.00019862 0.00026082 0.00006929
-0.01696642 0.00051763 0.00720639
-8.23857915 -3.17068318 19.04807440
0.00106530 0.00010553 -0.00058097
-0.00663202 0.01507421 0.02093932
-7.96858717 -6.02425181 18.46318023
-0.00071245 0.00064561 -0.00031082
-0.00610923 -0.00493008 0.00734143
-23.41267785 -3.50222274 -23.52174917
-0.00061734 0.00025701 -0.00078486
-0.00074397 0.00033421 0.00913942
-23.00842148 -5.00779866 -20.90772818
-0.00004245 -0.00070931 -0.00044922
-0.00265549 0.01439367 -0.00519782
6.86237813 13.25402766 4.32151230
0.00114074 -0.00017292 -0.00024059
0.00348139 0.00485169 -0.01071630
8.22487800 11.87306693 6.49331226
-0.00023079 0.00060775 -0.00035392
-0.02282160 0.00937377 -0.00356842
24.89580776 28.76254709 -2.26168571
0.00022914 0.00040246 -0.00004952
-0.00534995 0.02619751 -0.00915183
24.09757777 31.59291728 -1.66838046
0.00043603 -0.00051886 -0.00026475
-0.00799639 0.00659225 0.01035274
9.27565870 -2.17048614 -15.15863065
-0.00066194 0.00043571 -0.00101749
0.00621603 0.00039480 -0.00982984
8.00491652 -1.70376256 -12.82626839
-0.00003949 -0.00203663 -0.00003302
-0.01218786 0.00608291 -0.00402016
-7.72108167 -0.11462612 16.01657131
-0.00077081 -0.00066317 -0.00073285
0.01704297 -0.00487739 -0.02438669
-8.72077112 -2.04738320 14.22316722
-0.00010022 0.00088238 0.00140175
-0.00848468 -0.01700766 -0.00449346
-2.59475396 -26.66847805 12.84692821
0.00048988 -0.00031394 0.00039029
0.00698527 -0.00563630 0.01486450
-3.13625665 -25.91130218 10.15894834
0.00064735 -0.00011384 0.00004457
-0.00535723 0.00272169 -0.01786587
-14.67346975 -2.90733985 -6.24438670
-0.00044396 -0.00027918 -0.00014849
0.00820781 0.00186698 -0.00416996
-14.72321126 -4.66317404 -8.70356112
0.00058633 -0.00030184 -0.00009961
0.00064692 0.00271073 0.00327564
-19.28509469 -11.21284657 -16.94458086
-0.00026704 -0.00063641 -0.00079262
0.00709656 0.03671713 0.02397860
-18.37921344 -13.37267251 -18.17176804
0.00080843 0.00102269 0.00075411
-0.00715031 -0.01678498 -0.00420340
24.07952359 3.49630239 1.66490045
0.00091555 0.00131986 0.00063232
-0.01921149 -0.00619884 0.00256174
22.92830830 5.15077329 3.83949186
0.00044540 0.00017752 -0.00038402
-0.00192879 0.00411943 0.00623568
16.30208351 -10.04390610 -13.30889824
0.00101508 -0.00019735 -0.00001219
-0.02696687 0.01108237 0.02753163
17.03197996 -10.07293579 -16.00428735
-0.00002628 -0.00048510 -0.00035255
-0.00576158 0.00871202 -0.03223694
-0.44085579 2.17136891 -8.01962037
0.00023539 -0.00046113 0.00043318
-0.00856443 -0.00652383 0.00924855
-2.25008214 0.03343119 -7.17699636
-0.00018250 -0.00013207 0.00128839
-0.00303937 -0.01611509 -0.01101720
-5.50438885 -3.77116665 -16.68193806
0.00069079 -0.00122897 -0.00001263
-0.01707042 -0.01159180 -0.01601627
-3.65890303 -1.58726513 -16.62494106
-0.00097575 0.00030185 0.00004182
-0.00343604 -0.00800798 -0.00096234
12.60992772 18.85484781 -20.58250571
-0.00088204 -0.00049741 0.00075613
0.00082231 0.00681354 -0.00462324
11.90219513 16.18366999 -20.12686539
-0.00040889 0.00008985 -0.00026088
0.00994528 -0.00138432 -0.00097312
-15.24702971 15.68178613 -13.80758098
-0.00047277 0.00023800 0.00036791
-0.02738230 0.00426538 0.04425871
-17.63299012 15.09831197 -12.13823557
0.00130821 0.00009063 0.00029437
-0.00691882 -0.00807350 -0.00870413
2.62016843 14.99044319 5.86497082
-0.00083468 0.00040732 -0.00079581
-0.01015125 0.00621596 0.01046693
0.61437258 15.81937386 8.18907547
0.00037299 0.00015496 -0.00109893
0.02873760 -0.02394822 -0.02426942
-5.88736397 -8.32525654 1.29265390
0.00039902 0.00045967 0.00044683
-0.02953747 0.05808863 -0.03396674
-3.55165313 -9.78489854 1.71520620
-0.00016833 -0.00129172 0.00041535
-0.00926144 -0.00251854 0.00616565
2.57970609 -4.87993013 2.89635236
0.00146975 -0.00023376 -0.00006172
-0.01771725 0.10027350 0.01172447
4.48256372 -6.59717742 1.42682658
-0.00006358 -0.00031297 0.00047045
-0.00158062 0.00657172 0.00638452
9.27030454 5.71287129 4.04055054
0.00076487 -0.00010939 -0.00103795
-0.01332647 0.01120759 -0.00927718
12.07036361 6.32493770 4.73785119
-0.00010052 0.00030328 -0.00007620
-0.00309540 -0.00691144 -0.00192796
-7.36036120 -10.90610509 -2.56022202
0.00041784 -0.00005643 -0.00017263
0.02902330 -0.04071416 0.01997890
-9.67882168 -9.26653637 -1.51245572
0.00061106 -0.00022654 -0.00019849
-0.00526915 -0.00822187 0.01762923
4.60019377 -16.52984274 -14.26189242
-0.00003302 0.00066334 -0.00042609
-0.03495119 0.02361231 0.01158533
3.81273244 -17.04581171 -11.71950866
0.00020280 0.00009175 -0.00115974
-0.03769237 0.02744265 -0.01973784
5.70091870 -6.91365552 -5.96720889
-0.00003932 0.00044186 -0.00055166
0.01383441 0.02020591 -0.01854403
5.01400053 -8.14865634 -3.63082051
-0.00019302 -0.00003421 -0.00019697
-0.00723528 -0.01474908 -0.02202190
16.82351624 1.61926896 24.68550816
0.00053945 0.00123043 0.00028881
0.00598084 0.00392448 -0.00359015
19.77946470 2.34312238 24.54647637
-0.00057277 0.00048621 -0.00101304
-0.00237951 0.00601770 0.00676073
-9.76325390 3.82569319 2.34428957
-0.00019060 0.00138177 0.00010732
-0.00668745 -0.01263016 -0.00005178
-7.47840777 4.59588528 0.92430470
0.00067603 -0.00083475 0.00038199
0.01039620 0.00504563 -0.00634720
-6.40202828 14.23950457 -9.16295933
0.00081919 -0.00054945 0.00081818
0.01552587 0.00507718 0.01069127
-9.12095124 13.73970728 -9.50332090
0.00082578 -0.00016033 -0.00034387
-0.03522490 -0.01100095 0.01773419
0.31889129 10.91594339 -7.89216970
0.00097607 0.00002301 0.00097151
-0.00174648 -0.00700387 -0.00932075
2.59207395 12.35861555 -7.75953529
0.00043953 -0.00068449 0.00082439
0.03028960 0.02270967 0.01886872
-10.20592487 9.06814642 -13.78936125
-0.00033042 0.00077383 -0.00000802
0.00082434 -0.00451564 0.00694167
-12.60538720 9.93928221 -12.37614574
0.00041157 -0.00011794 -0.00115201
-0.02162184 -0.01156514 0.04580448
7.28458762 6.17327397 14.91781559
0.00032386 0.00041683 -0.00192386
0.00148255 0.02678209 0.00361985
7.23421680 4.31971753 12.86657474
0.00046171 0.00102097 0.00013221
0.00199665 -0.00917617 0.01385108
-13.76902560 10.57405160 -8.52685897
0.00061359 -0.00046586 -0.00017238
0.00844977 0.02140911 0.01323198
-16.20135904 9.90428267 -9.90535791
0.00052153 -0.00035198 -0.00002518
-0.02690337 0.00642956 -0.00702973
8.35053364 9.89149813 -2.33921118
-0.00093157 0.00080906 -0.00059478
0.00199359 0.00394705 0.00340221
7.39230788 8.49715199 -4.68502398
0.00090896 0.00019408 -0.00062478
0.02762762 -0.00574608 0.04722054
12.08713086 -20.18518911 -26.49153582
0.00041532 0.00047647 0.00095750
-0.00243595 0.00009701 0.00020109
13.67700010 -20.03050282 -24.06906740
0.00038662 -0.00104987 -0.00018394
-0.00197724 0.00174391 0.01591936
5.77298351 4.82903850 2.51869362
0.00086699 0.00131079 -0.00136431
0.00178769 -0.00196961 -0.00778152
6.37869405 7.31374384 0.87253459
0.00028503 -0.00016745 -0.00052557
0.00190208 -0.01354685 0.00924800
20.45522064 -6.44212467 -5.75762386
-0.00058055 0.00040831 -0.00041264
0.02199778 -0.01215996 0.01724108
17.72582476 -5.27829869 -5.38342247
-0.00033051 0.00008951 -0.00014854
0.02279830 -0.00326182 -0.02358071
-2.65893250 0.39209657 -1.09039656
0.00089295 0.00049112 0.00106525
0.01537149 -0.01072960 -0.01938252
-2.51093321 0.95186563 -3.95770737
-0.00002287 -0.00002672 -0.00044172
0.00615688 0.01006491 -0.01443823
3.56264823 -3.22406727 -12.17481658
0.00073612 -0.00050820 -0.00017386
0.00090005 -0.00139106 0.00019561
0.75019126 -2.51963023 -11.57170227
0.00104167 -0.00058632 -0.00050204
-0.01979193 -0.01159571 0.01206738
19.36660575 8.42272346 -6.53682593
-0.00082282 0.00068528 0.00075635
-0.00393401 -0.02261652 -0.02578904
21.90878772 8.57981517 -4.77550496
-0.00093815 0.00024601 -0.00055480
-0.02802101 0.00727115 -0.01129699
-7.41293821 4.64985209 8.92548907
0.00058342 -0.00022831 0.00030604
0.00269044 -0.00075671 0.00648583
-7.64491992 6.25163501 11.36134424
-0.00068632 0.00020620 -0.00080325
-0.00058778 0.00413636 -0.03259837
-3.17285505 -16.32753394 11.31075998
-0.00042873 0.00062073 -0.00098704
0.01070563 0.00957336 -0.00093674
-4.15374288 -13.69773963 11.63965930
-0.00000220 -0.00079002 -0.00056135
-0.00702682 0.00533271 -0.00229548
8.47575447 0.55317137 -3.18368074
0.00033403 0.00004852 -0.00098160
0.00043846 -0.00336927 0.00995232
7.81650367 2.06470055 -5.71997571
0.00015385 -0.00068718 -0.00061114
0.00275782 -0.03577632 0.01237242
1.17122206 -10.69538521 1.63019746
-0.00084850 -0.00026521 0.00023387
-0.01787632 -0.00377921 -0.00266593
0.09661392 -8.39557856 0.34505573
-0.00019233 -0.00006518 0.00005699
0.00090374 0.01045509 -0.01205467
-20.16371404 -1.38342555 6.62761322
-0.00039693 -0.00045849 0.00048160
0.00327993 -0.00320384 0.00492181
-21.27288701 0.29001041 4.43992849
-0.00067725 0.00039292 0.00008130
0.02549366 -0.03088509 0.00355797
-3.83560652 8.35814249 -25.19892822
0.00021635 -0.00026919 -0.00176211
0.00197737 0.00051875 0.01759125
-4.50946292 9.01260037 -22.33357101
-0.00042518 -0.00060053 0.00096416
0.00219259 -0.02181031 -0.02317977
3.90858812 1.10652793 -0.91186310
0.00065596 0.00119146 0.00004395
0.01819145 0.00316536 0.00301407
1.27968075 1.06473675 -1.80530405
0.00021707 -0.00053534 0.00099354
-0.00619043 0.02639564 0.00084999
15.84822130 7.59623212 6.45160643
-0.00065509 0.00058301 -0.00077071
-0.00315825 -0.00306162 -0.02535306
15.86163111 9.02438251 3.91295734
0.00004646 -0.00121237 0.00061227
0.00491525 0.02731406 -0.01436741
-0.32674087 -11.81872176 -13.23906588
0.00011662 -0.00001135 0.00022842
0.01128853 0.00017810 -0.00137414
-13.94169131 14.47137140 22.20633266
-0.00002005 -0.00012732 0.00015072
-0.00136323 -0.00221775 0.00159808
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03087609
0.33370965
444.65137628
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1368739859
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4269869061 (a.u.)
total exchange computation time: 2.8222689629 s
-154.4899935211
-931.35974813
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1368739859
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4260846621 (a.u.)
total exchange computation time: 2.8201920986 s
-154.4977350692
Anderson extrapolation: theta=1.3904914389 (1.3904914389)
-931.36003771
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1368739859
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.4247536666 (a.u.)
total exchange computation time: 2.8218479156 s
-154.5089308860
Anderson extrapolation: theta=0.0709197158 (0.0709197158)
-931.36022256
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1368739859
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4246038171 (a.u.)
total exchange computation time: 2.8231961727 s
-154.5101042704
Anderson extrapolation: theta=2.3297987100 (2.0000000000)
-931.36023396
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1368739859
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4242958525 (a.u.)
total exchange computation time: 2.8196561337 s
-154.5124657950
Anderson extrapolation: theta=0.4125399146 (0.4125399146)
-931.36024944
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1368739859
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4241820130 (a.u.)
total exchange computation time: 2.8201179504 s
-154.5132930857
Anderson extrapolation: theta=0.9913662958 (0.9913662958)
-931.36025399
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1368739859
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4240982070 (a.u.)
total exchange computation time: 2.8228120804 s
-154.5138466731
Anderson extrapolation: theta=0.5405157032 (0.5405157032)
-931.36025732
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1368739859
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4240821191 (a.u.)
total exchange computation time: 2.8199598789 s
-154.5138860303
Anderson extrapolation: theta=0.7669216255 (0.7669216255)
-931.36025864
-208.663048 49.984946 -204.361580
-133.125689 460.388708 -800.528109
-341.788736 510.373653 -1004.889688
1177.753833
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1368739859
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4240912824 (a.u.)
total exchange computation time: 2.8209550381 s
679.65282881
-1085.56636045
89.80197894
-387.86160016
-174.96301517
79.30632132
551.60419304
0.00000000
-931.36025930
-10.92094779 -4.27062600 6.67557531
0.00007995 -0.00008987 -0.00016332
0.01924052 -0.01171870 0.03079043
-13.96222600 3.61664715 9.29245107
0.00029556 0.00026732 -0.00022605
-0.02625382 0.01452568 0.02364390
-15.94598075 1.39639916 3.42430600
-0.00005537 0.00014446 0.00003364
-0.00106938 0.01760110 0.03812388
2.58918035 -19.83173731 12.82494086
0.00028490 -0.00000464 0.00009355
-0.02057678 -0.02364801 -0.05585952
9.60211094 20.36333015 1.17633005
-0.00017145 -0.00006805 0.00040390
-0.00174439 0.01653472 -0.00042215
-12.08749764 12.56482507 15.18667344
-0.00014760 -0.00004363 0.00016880
0.01986293 -0.02004454 -0.01257908
-6.22259403 1.45368329 -12.40727804
0.00017590 -0.00005970 -0.00042975
0.00458871 -0.03850075 0.02261731
-7.42484121 7.76933249 -5.98941474
-0.00005606 -0.00017984 -0.00018600
0.01546407 -0.00642821 -0.01497521
-7.75239147 -4.34080376 17.81030942
-0.00015710 -0.00005502 0.00010262
0.01694337 -0.02289145 -0.02663077
-23.55126638 -5.11993104 -22.64422479
-0.00016011 -0.00036237 -0.00013156
-0.00421460 -0.00437594 -0.01151309
6.59978555 12.76665874 6.04896072
-0.00004256 -0.00004792 0.00004104
0.02601766 -0.01330919 0.00372513
24.75709852 30.51021893 -2.95849924
0.00012861 0.00021230 -0.00014364
0.00773603 -0.03650192 -0.00717173
7.91931215 -1.04834156 -14.55014090
0.00002583 0.00043540 -0.00009859
-0.00220840 -0.00623448 0.03243724
-7.33602493 -0.91577114 14.32537260
-0.00020709 0.00011944 -0.00027418
0.00108617 0.02746099 0.01207526
-1.75089434 -26.20582957 11.27312065
0.00017710 0.00011691 -0.00023461
-0.00029210 -0.00209781 -0.00047042
-14.05154180 -4.47424632 -6.99383040
0.00016134 0.00025746 0.00009972
-0.00637903 -0.01101953 -0.00771687
-20.01040932 -12.63158620 -17.70857845
0.00002986 -0.00010005 0.00021729
0.00221576 -0.02636550 -0.02221641
22.75805499 3.54645530 3.00443608
0.00004663 -0.00025751 0.00002060
0.01352564 0.00959822 0.00026801
17.68885312 -10.28186481 -14.37198454
-0.00032051 -0.00032128 0.00003401
0.04095806 -0.01288255 -0.00311460
-1.99130758 1.79648146 -7.02530178
0.00027338 -0.00019083 -0.00001176
0.00350886 0.02503835 -0.01469461
-4.27823093 -3.02850649 -15.63454905
-0.00026139 0.00010810 -0.00007641
0.02159022 0.02167040 0.01234187
13.38427392 17.29749636 -19.97986401
0.00018915 0.00019060 0.00035164
-0.00669902 -0.01085520 -0.00299453
-16.11010133 16.09242771 -12.09506714
0.00049172 0.00009552 -0.00000684
0.03961594 0.01163919 -0.02455820
1.93937652 14.58255334 7.54895716
0.00052456 0.00030981 0.00016589
-0.03139532 0.01233515 0.01492839
-5.35812921 -9.66318659 2.22936989
-0.00009592 -0.00018049 0.00020893
0.04461125 -0.05654316 0.02937352
3.07521537 -6.46410094 2.63004597
-0.00007835 -0.00027879 0.00026484
0.02454357 -0.10131292 -0.01508195
10.85952349 4.94609184 4.42198280
-0.00010185 0.00022691 -0.00010221
0.01821697 0.00663762 0.02012238
-8.52356387 -9.64135910 -2.83934299
-0.00009481 0.00032295 -0.00045140
-0.02086097 0.04211713 -0.03833596
3.13336398 -15.93445404 -13.16370379
0.00011375 -0.00002824 0.00025920
0.06308583 -0.04290161 0.00316222
4.79729317 -8.38603325 -5.48114504
-0.00011932 0.00020035 0.00056086
-0.00689367 -0.00062163 0.03641284
18.55405254 0.97799115 24.67466794
-0.00002569 0.00008697 -0.00018301
-0.00719760 -0.01178502 -0.00315740
-8.49697696 3.10682488 1.16160469
-0.00040179 -0.00004359 0.00011917
0.00877088 0.00180386 -0.00239366
-7.68462173 14.22021157 -10.40929814
0.00020740 -0.00002186 0.00027773
0.03128543 0.00718267 -0.02735117
1.71547412 11.42274648 -8.98922653
-0.00005814 0.00008177 -0.00012879
-0.02649250 -0.01194052 -0.00740458
-11.69880307 10.10336415 -13.85694391
0.00025676 0.00015399 0.00001045
0.02095560 0.01596912 -0.05936860
6.94618132 4.43416760 14.72095058
-0.00048178 0.00013044 0.00012938
0.00431135 -0.02233807 -0.02469350
-14.81104471 9.18861665 -9.06352483
-0.00040442 -0.00024468 0.00028616
0.01705860 -0.03002650 -0.00281534
8.50043886 8.22798850 -3.08658667
-0.00003355 -0.00027206 -0.00003967
-0.02967135 0.01594917 -0.04412192
13.76753433 -20.44783851 -25.85364624
0.00007887 -0.00006338 -0.00027969
0.00443821 -0.00161563 -0.01402987
6.23496998 6.61355789 2.58165051
-0.00029465 0.00012887 -0.00001556
0.00169757 0.02245587 -0.00811733
19.07633749 -5.78776139 -6.65620410
-0.00028098 -0.00008031 -0.00016498
-0.05595275 0.01703101 0.01114999
-1.67574900 -0.02848770 -2.67641667
0.00004524 -0.00022730 -0.00013996
-0.01734807 -0.00588206 0.05820408
2.33667352 -1.85016451 -12.13163840
-0.00020824 0.00023362 0.00036524
0.04672341 0.00996068 -0.02107646
20.21352741 9.35889271 -5.30962027
-0.00052054 -0.00005994 -0.00018759
0.04052098 0.02055322 0.03488372
-7.54210201 6.41991052 9.47606891
-0.00023552 -0.00013181 0.00024822
-0.00877380 -0.00538834 0.02708472
-2.58149420 -14.57546029 11.45756064
0.00021566 0.00006801 -0.00011920
-0.00416208 -0.01801765 0.00665069
8.12435405 0.27194160 -4.92821233
0.00000273 -0.00019075 0.00023321
-0.00765733 0.03544023 -0.02911709
-0.11183346 -10.20043335 0.35655615
-0.00012810 -0.00032794 -0.00025543
0.00989138 -0.01202712 0.01338190
-20.18132397 -1.27776274 4.77907122
-0.00018773 0.00031785 -0.00000508
-0.02543976 0.03412952 -0.00604949
-4.58778577 7.64846188 -23.62532444
0.00014810 0.00022994 -0.00007042
-0.00346144 0.02018707 0.01311111
2.57628826 2.29620096 -1.14409708
0.00007962 -0.00035633 0.00030920
-0.00554301 -0.01983097 -0.01602987
15.51523292 7.42377534 4.59346656
-0.00003313 -0.00015350 -0.00017581
-0.00702866 -0.03049571 0.03720247
-9.50847824 -4.67230394 7.84774566
-0.00039298 0.00007978 0.00139282
-0.02157254 0.00615775 -0.01606429
-10.15764737 -3.92471295 5.05521571
0.00045141 -0.00105221 0.00024520
0.00972153 -0.00644206 -0.00730222
-12.83093289 4.76027275 8.52135025
0.00015321 -0.00015175 -0.00042126
0.01653399 0.00498262 -0.01155001
-13.78475167 1.93603392 8.62334328
-0.00062360 -0.00013572 -0.00021411
0.00924688 -0.01584425 -0.00974184
-15.37160356 2.09171383 5.12221047
-0.00057524 0.00062813 -0.00039988
-0.00714545 -0.02071624 -0.03642974
-17.36991136 0.26762714 3.98083044
0.00012068 0.00126838 -0.00071551
0.00622754 0.00564686 -0.00489791
3.18391763 -21.31928562 11.76881523
0.00016188 -0.00053338 0.00013671
-0.01852707 0.01853425 0.01896654
3.64206724 -19.65471920 14.19801698
0.00013724 0.00111918 -0.00070120
0.03382760 0.00650048 0.03795184
8.75427505 18.73603274 1.14152532
0.00093727 -0.00038160 -0.00027635
-0.00788663 0.00627161 -0.00027095
8.56303522 21.70598260 2.01141204
0.00040049 0.00079875 0.00037973
0.00374740 -0.02083613 -0.00407856
-11.14822982 11.67542468 16.49196878
-0.00107415 0.00028889 0.00007131
-0.00133630 0.01547973 0.00192381
-12.57483545 14.19111877 15.76902291
0.00009838 -0.00015460 0.00000900
-0.00450443 0.01793953 0.01011615
-5.18379078 0.13526990 -13.24500594
0.00045494 -0.00011320 -0.00016906
-0.01644570 0.01884167 0.00611607
-6.70876238 0.54153209 -10.73446891
0.00002003 -0.00064646 0.00048108
0.00758511 0.02270648 -0.02614195
-6.85376313 6.32767999 -5.02431994
-0.00045302 0.00040689 -0.00048112
-0.00204473 0.00000553 0.00131451
-9.10308186 8.02003036 -5.42520875
0.00012838 0.00026372 0.00009903
-0.01741631 0.00089929 0.00735465
-8.22280289 -3.16863833 19.04000148
0.00103516 0.00017536 -0.00048627
-0.00811950 0.01910750 0.02541875
-7.97946120 -6.01471871 18.45874296
-0.00073876 0.00061538 -0.00027647
-0.00676624 -0.00987031 0.00946892
-23.42196076 -3.49835731 -23.53324208
-0.00062079 0.00024886 -0.00074126
-0.00094353 -0.00432331 0.01220537
-23.00913957 -5.01799730 -20.91462571
-0.00005144 -0.00064900 -0.00046578
-0.00174451 0.01512863 -0.00290973
6.87959596 13.25158257 4.31757506
0.00115212 -0.00015380 -0.00027855
0.00208804 0.00450756 -0.00786613
8.22071686 11.88247035 6.48789406
-0.00031883 0.00064237 -0.00036502
-0.02027442 0.00757617 -0.00186155
24.89908089 28.76938672 -2.26270890
0.00020769 0.00050681 -0.00008715
-0.00514810 0.02488206 -0.00927123
24.10387319 31.58533639 -1.67203444
0.00039965 -0.00048508 -0.00021559
-0.00981346 0.00994218 0.01371012
9.26592013 -2.16393843 -15.17419417
-0.00063443 0.00043678 -0.00105856
0.00724709 0.00012905 -0.01027735
8.00395072 -1.73412555 -12.82688682
-0.00008952 -0.00200571 -0.00006166
-0.01230089 0.00905088 -0.01000097
-7.73212157 -0.12472318 16.00483126
-0.00069918 -0.00067612 -0.00082507
0.01802094 -0.00146000 -0.02075620
-8.72253449 -2.03466863 14.24405584
-0.00014357 0.00080330 0.00137886
-0.01273098 -0.02170366 -0.00671580
-2.58719173 -26.67335987 12.85323806
0.00052060 -0.00033489 0.00044380
0.00805280 -0.00461921 0.01132709
-3.12671057 -25.91292636 10.15906946
0.00061803 -0.00010145 -0.00003310
-0.00899455 0.00334098 -0.02015734
-14.67987758 -2.91147031 -6.24674187
-0.00041212 -0.00026703 -0.00016361
0.00737696 0.00407958 -0.00322831
-14.71439653 -4.66761853 -8.70495489
0.00058929 -0.00029000 -0.00008484
0.00080347 0.00308546 0.00395318
-19.28888284 -11.22126760 -16.95573541
-0.00023336 -0.00046963 -0.00068599
0.00939104 0.04492110 0.02821975
-18.36730613 -13.35784652 -18.16058523
0.00077694 0.00095188 0.00073577
-0.00826414 -0.01787746 -0.00477251
24.09266818 3.51591040 1.67446376
0.00083464 0.00129084 0.00064311
-0.02039560 -0.00800941 0.00271744
22.93493019 5.15356240 3.83392266
0.00043505 0.00019094 -0.00035815
-0.00313504 0.00244505 0.00642618
16.31648331 -10.04652676 -13.30823743
0.00088939 -0.00014912 0.00011086
-0.03455798 0.01252613 0.03270002
17.03140914 -10.07994531 -16.01056336
-0.00004886 -0.00044974 -0.00047828
-0.00529115 0.00859482 -0.02931360
-0.43758733 2.16425207 -8.01283924
0.00020391 -0.00048782 0.00046834
-0.00684620 -0.00654010 0.00796394
-2.25291271 0.03095631 -7.15800813
-0.00019398 -0.00019889 0.00124226
-0.00258407 -0.01659220 -0.01156379
-5.49455014 -3.78995646 -16.68261835
0.00062041 -0.00127685 -0.00007912
-0.01738134 -0.01184639 -0.01652931
-3.67364452 -1.58298272 -16.62434322
-0.00098929 0.00026978 0.00003678
-0.00319398 -0.00769275 -0.00150342
12.59672235 18.84759549 -20.57130543
-0.00087845 -0.00046365 0.00073583
0.00093354 0.00971141 -0.00531589
11.89636658 16.18497529 -20.13080848
-0.00036133 0.00008652 -0.00026354
0.01333425 -0.00024508 -0.00032450
-15.25496041 15.68548690 -13.80070607
-0.00057924 0.00025450 0.00054161
-0.02473494 0.00381127 0.04076541
-17.61357895 15.09942404 -12.13408677
0.00126984 0.00005187 0.00025984
-0.01186324 -0.01090165 -0.00819734
2.60733713 14.99674340 5.85335446
-0.00087595 0.00042949 -0.00074886
-0.01004978 0.00463980 0.01251322
0.62084806 15.82096445 8.17184789
0.00048624 0.00005966 -0.00119361
0.02669863 -0.02270499 -0.02207991
-5.88228375 -8.31658141 1.29831548
0.00028268 0.00069125 0.00031263
-0.02741387 0.05527151 -0.03172573
-3.55446185 -9.80435153 1.72162540
-0.00020594 -0.00130066 0.00043936
-0.00914760 -0.00185956 0.00558757
2.60120935 -4.88036391 2.89578587
0.00139596 0.00018362 -0.00001220
-0.01840149 0.10403860 0.01251532
4.48156164 -6.60167067 1.43407902
-0.00006838 -0.00028804 0.00049547
-0.00077062 0.00563204 0.00585969
9.28136929 5.71157395 4.02469697
0.00070056 -0.00005904 -0.00107766
-0.01815744 0.01343567 -0.01015989
12.06876094 6.32927505 4.73664911
-0.00011370 0.00027439 -0.00008391
-0.00335714 -0.00722758 -0.00184554
-7.35320429 -10.90819915 -2.56219925
0.00052641 -0.00021102 -0.00009417
0.02412247 -0.03496012 0.01842519
-9.66981732 -9.27018645 -1.51489279
0.00058545 -0.00025838 -0.00012204
-0.00726583 -0.00736268 0.01979275
4.59862739 -16.51916902 -14.26792883
-0.00017591 0.00075963 -0.00037850
-0.03499463 0.02351793 0.01171267
3.81461939 -17.04359449 -11.73750965
0.00005243 0.00019731 -0.00123034
-0.03591203 0.02422909 -0.01482097
5.70075276 -6.90640849 -5.97605196
0.00001206 0.00051582 -0.00062284
0.01131669 0.01599772 -0.01630074
5.01088350 -8.14962144 -3.63444991
-0.00022093 -0.00009194 -0.00027734
-0.00642616 -0.01351029 -0.01731630
16.83179119 1.63784568 24.68973026
0.00056030 0.00124442 0.00027396
0.00422527 0.00292496 -0.00367655
19.77080025 2.35059991 24.53148796
-0.00058032 0.00050933 -0.00098489
-0.00131459 0.00529964 0.00701841
-9.76631783 3.84603275 2.34589780
-0.00021539 0.00132730 0.00010455
-0.00544509 -0.01403635 -0.00130379
-7.46794874 4.58351868 0.92984001
0.00071887 -0.00081349 0.00035504
0.01057594 0.00536239 -0.00684284
-6.38926472 14.23141843 -9.15035902
0.00087178 -0.00052882 0.00085169
0.01022074 0.00502100 0.00571192
-9.10964395 13.73696520 -9.50793552
0.00067080 -0.00020919 -0.00026424
-0.04064056 -0.01291421 0.02124518
0.33347882 10.91607397 -7.87788269
0.00096570 -0.00000695 0.00093221
-0.00333104 -0.00766251 -0.00991729
2.59959506 12.34904410 -7.74659118
0.00056027 -0.00059627 0.00089356
0.02881120 0.02047430 0.01498948
-10.21085586 9.07961547 -13.78926881
-0.00031619 0.00074803 0.00002059
0.00613747 -0.00811253 0.00706274
-12.59987616 9.93715868 -12.39202233
0.00031236 -0.00016709 -0.00094832
-0.02694153 -0.01249487 0.05390450
7.28949090 6.18034706 14.88906866
0.00032851 0.00052402 -0.00190532
0.00079736 0.02569051 0.00545467
7.24120368 4.33475083 12.86898236
0.00046818 0.00097859 0.00018810
0.00116970 -0.01156811 0.01350703
-13.75956286 10.56771978 -8.52903918
0.00064472 -0.00038205 -0.00012022
0.00679195 0.01961683 0.01229811
-16.19436054 9.89920004 -9.90595099
0.00040338 -0.00032112 -0.00005912
-0.03092970 0.00867558 -0.00958694
8.33662117 9.90375496 -2.34802862
-0.00092142 0.00081341 -0.00058444
0.00297328 -0.00181854 0.00165976
7.40678895 8.49988712 -4.69294866
0.00102014 0.00016824 -0.00043322
0.02679389 -0.00690429 0.04654992
12.09328597 -20.17803906 -26.47716714
0.00039556 0.00047843 0.00095352
-0.00723310 0.00086046 -0.00214894
13.68273876 -20.04619738 -24.07133861
0.00037942 -0.00104223 -0.00011747
-0.00154353 0.00199331 0.01661628
5.78604312 4.84864000 2.49799059
0.00086883 0.00128322 -0.00139449
-0.00088615 -0.01152529 -0.00699233
6.38302776 7.31081696 0.86493436
0.00029271 -0.00022230 -0.00048245
0.00185700 -0.01330135 0.01186327
20.44718653 -6.43637263 -5.76328519
-0.00048293 0.00035515 -0.00033726
0.02578440 -0.01386071 0.01965952
17.72156571 -5.27705592 -5.38637315
-0.00023740 0.00007601 -0.00024518
0.02277851 -0.00334823 -0.02372719
-2.64506720 0.39913456 -1.07501181
0.00095634 0.00044631 0.00097987
0.01565536 -0.01120228 -0.02240925
-2.51108766 0.95177323 -3.96477554
0.00000450 0.00001199 -0.00049518
0.00724150 0.00888566 -0.01173108
3.57371763 -3.23173284 -12.17741845
0.00072889 -0.00050065 -0.00017284
-0.00444065 0.00508424 0.00030470
0.76520986 -2.52878041 -11.57886312
0.00094589 -0.00063883 -0.00044755
-0.02709289 -0.01410835 0.01460768
19.35414295 8.43230955 -6.52627099
-0.00084679 0.00058402 0.00063854
-0.00780012 -0.02694814 -0.03187563
21.89385680 8.58372809 -4.78417307
-0.00104766 0.00027264 -0.00059921
-0.02558491 0.00576418 -0.01044633
-7.40410452 4.64640432 8.93027844
0.00059421 -0.00023007 0.00033286
0.00259053 -0.00010825 0.00664126
-7.65523281 6.25485481 11.34829664
-0.00068935 0.00022177 -0.00092274
-0.00089488 0.00348595 -0.02589572
-3.17895788 -16.31792960 11.29592573
-0.00038390 0.00065453 -0.00099112
0.01123617 0.00696897 -0.00106246
-4.15399117 -13.70942648 11.63116876
-0.00003417 -0.00076366 -0.00057005
-0.00862275 0.00756726 -0.00196641
8.48077843 0.55379597 -3.19809973
0.00033939 0.00003801 -0.00092319
0.00218127 -0.00177861 0.01863829
7.81889600 2.05329663 -5.72876365
0.00016503 -0.00083178 -0.00055942
0.00271368 -0.03501062 0.01294300
1.15794679 -10.69947920 1.63362378
-0.00091928 -0.00028142 0.00022379
-0.01677168 -0.00415655 -0.00226930
0.09375665 -8.39623588 0.34554117
-0.00018931 -0.00002677 0.00000759
0.00057300 0.00834504 -0.01212568
-20.16956755 -1.39040112 6.63498808
-0.00038381 -0.00046988 0.00049384
0.00314542 -0.00237198 0.00106932
-21.28226459 0.29495784 4.44125700
-0.00057107 0.00026458 0.00009682
0.02648119 -0.03193991 0.00404165
-3.83230060 8.35412057 -25.22482088
0.00021993 -0.00026838 -0.00167555
-0.00022897 -0.00012234 0.02478260
-4.51577344 9.00292402 -22.31981890
-0.00041478 -0.00068783 0.00086580
0.00289952 -0.02092162 -0.02496802
3.91898502 1.12449678 -0.91111146
0.00073669 0.00119739 0.00005685
0.02132567 -0.00026203 0.00330159
1.28274714 1.05751556 -1.79037483
0.00019169 -0.00042950 0.00099581
-0.00623330 0.02541266 0.00025768
15.83829811 7.60488347 6.43926895
-0.00066659 0.00056883 -0.00086559
-0.00247068 -0.00387825 -0.02109436
15.86247863 9.00703401 3.92170119
0.00007079 -0.00107928 0.00054232
0.00699388 0.03783385 -0.01987708
-0.32496123 -11.81889161 -13.23564330
0.00012066 -0.00001127 0.00022794
0.01127356 0.00031206 -0.00130494
-13.94199442 14.46945780 22.20859628
-0.00002035 -0.00012783 0.00015111
-0.00122413 -0.00218742 0.00173990
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03191710
0.32834221
437.49952954
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1368739859
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4410158661 (a.u.)
total exchange computation time: 2.8181428909 s
-154.5544034134
-931.35552060
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1368739859
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4398726856 (a.u.)
total exchange computation time: 2.8200590611 s
-154.5641828837
Anderson extrapolation: theta=1.3722973874 (1.3722973874)
-931.35582289
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1368739859
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4382377356 (a.u.)
total exchange computation time: 2.8204641342 s
-154.5780242608
Anderson extrapolation: theta=0.0657318056 (0.0657318056)
-931.35601271
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1368739859
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4380875251 (a.u.)
total exchange computation time: 2.8187420368 s
-154.5792925332
Anderson extrapolation: theta=2.3393291354 (2.0000000000)
-931.35602394
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1368739859
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4377954747 (a.u.)
total exchange computation time: 2.8200681210 s
-154.5817936875
Anderson extrapolation: theta=0.4429081127 (0.4429081127)
-931.35603968
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1368739859
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4376979924 (a.u.)
total exchange computation time: 2.8187060356 s
-154.5826763599
Anderson extrapolation: theta=1.0462623476 (1.0462623476)
-931.35604478
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1368739859
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4376448546 (a.u.)
total exchange computation time: 2.8192911148 s
-154.5832251451
Anderson extrapolation: theta=0.5507576841 (0.5507576841)
-931.35604870
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1368739859
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4376624211 (a.u.)
total exchange computation time: 2.8229920864 s
-154.5831605152
Anderson extrapolation: theta=0.7450525443 (0.7450525443)
-931.35605023
-164.227827 50.027438 -204.391379
-133.080659 460.419367 -800.602698
-297.308486 510.446806 -1004.994077
1165.744986
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1368739859
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4377102507 (a.u.)
total exchange computation time: 2.8197050095 s
679.85654935
-1086.02403511
89.79589155
-387.54745405
-174.99929242
79.56523365
551.60419304
0.00000000
-931.35605093
-10.91967436 -4.27201927 6.67324421
0.00008987 -0.00009618 -0.00014612
0.01932631 -0.01280969 0.03612091
-13.95789394 3.62071303 9.28915149
0.00028175 0.00027401 -0.00021380
-0.02744480 0.01147868 0.02399064
-15.94681539 1.39863390 3.42495764
-0.00005499 0.00015424 0.00005223
0.00253574 0.02044451 0.03417769
2.59337450 -19.83189811 12.82612864
0.00027343 -0.00001737 0.00006363
-0.02401811 -0.02586292 -0.06050017
9.59953242 20.36237324 1.18238693
-0.00017186 -0.00005886 0.00040367
0.00016933 0.01916982 -0.00048167
-12.08963505 12.56409337 15.18915687
-0.00013801 -0.00005362 0.00016133
0.01741902 -0.01881428 -0.01644256
-6.21993784 1.45263931 -12.41363703
0.00017803 -0.00008001 -0.00041715
0.00371740 -0.04049898 0.02636008
-7.42562249 7.76661007 -5.99226257
-0.00004867 -0.00018200 -0.00019443
0.01328905 -0.00197737 -0.01779881
-7.75468263 -4.34171742 17.81174593
-0.00014793 -0.00006631 0.00008748
0.01872538 -0.02098477 -0.03223835
-23.55368435 -5.12538347 -22.64624264
-0.00016244 -0.00036364 -0.00013880
-0.00484589 -0.00057320 -0.01663323
6.59924744 12.76588867 6.04959062
-0.00002965 -0.00005412 0.00004165
0.02421127 -0.01079963 -0.00134126
24.75905751 30.51326262 -2.96068150
0.00013292 0.00019329 -0.00014814
0.00901705 -0.03740449 -0.01032787
7.91969108 -1.04183456 -14.55149457
0.00002455 0.00043142 -0.00008046
-0.00275704 -0.00926576 0.03804507
-7.33912706 -0.91387362 14.32130642
-0.00020579 0.00013364 -0.00026860
0.00397245 0.02774642 0.00964478
-1.74823891 -26.20408405 11.26959968
0.00017742 0.00011535 -0.00023336
0.00152197 -0.00396984 0.00531912
-14.04914627 -4.47042689 -6.99236436
0.00015823 0.00025110 0.00009535
-0.00572679 -0.01370373 -0.00927714
-20.00995285 -12.63318869 -17.70540481
0.00003079 -0.00011504 0.00020516
0.00138853 -0.03189943 -0.02494263
22.75880667 3.54262960 3.00474607
0.00005407 -0.00025160 0.00002078
0.01538371 0.01338398 0.00045725
17.68420340 -10.28673365 -14.37148645
-0.00029804 -0.00032818 0.00003026
0.04645455 -0.01395340 -0.01145760
-1.98719329 1.79371561 -7.02553480
0.00027450 -0.00017810 -0.00001891
0.00082891 0.02447472 -0.01310590
-4.28206847 -3.02680138 -15.63564760
-0.00025051 0.00011898 -0.00006994
0.02071217 0.02063261 0.01280714
13.38708536 17.30031344 -19.97460092
0.00018490 0.00018411 0.00035002
-0.00982076 -0.01435520 -0.00331458
-16.10257278 16.09390543 -12.09526450
0.00051240 0.00010236 -0.00001847
0.04081329 0.01495767 -0.02066717
1.94712381 14.58724814 7.55150306
0.00050908 0.00031603 0.00017243
-0.02880666 0.01182759 0.01052210
-5.35939595 -9.66611210 2.23261717
-0.00007391 -0.00020831 0.00022320
0.04099937 -0.05164424 0.02609932
3.07413474 -6.46867355 2.63396035
-0.00006641 -0.00032998 0.00025725
0.02189799 -0.09775876 -0.01440446
10.85806595 4.94952102 4.42052723
-0.00009146 0.00022993 -0.00009162
0.02221726 0.00512254 0.02108676
-8.52506643 -9.63635238 -2.84626180
-0.00010354 0.00034262 -0.00047106
-0.01309053 0.03436903 -0.03811857
3.13531356 -15.93504315 -13.15980352
0.00014547 -0.00004916 0.00025944
0.06026372 -0.03844126 -0.00226506
4.79547681 -8.38303036 -5.47259165
-0.00012239 0.00020090 0.00057746
-0.00503618 0.00273678 0.02814847
18.55363948 0.97925017 24.67191058
-0.00002919 0.00008137 -0.00018483
-0.00641067 -0.00997096 -0.00389872
-8.50296999 3.10617801 1.16338297
-0.00039752 -0.00004239 0.00011825
0.00782168 0.00286297 -0.00116740
-7.68139010 14.21991139 -10.40523767
0.00022588 -0.00001777 0.00026427
0.04059202 0.00871323 -0.02499813
1.71449977 11.42392697 -8.99118699
-0.00007078 0.00007657 -0.00013128
-0.02265917 -0.00828352 -0.00225788
-11.69487084 10.10573555 -13.85701618
0.00026723 0.00016333 -0.00002162
0.01976224 0.02035499 -0.06534697
6.93897125 4.43603800 14.72279609
-0.00047918 0.00012009 0.00011643
0.00580221 -0.01788461 -0.02566288
-14.81704518 9.18483062 -9.05924327
-0.00039426 -0.00025994 0.00028553
0.02244357 -0.02932600 0.00036098
8.49982121 8.22396916 -3.08735198
-0.00004872 -0.00026218 -0.00006154
-0.02931648 0.02245316 -0.04091033
13.76873450 -20.44879540 -25.85789570
0.00008225 -0.00006440 -0.00028632
0.00870671 -0.00234370 -0.01176590
6.23055676 6.61557762 2.58138584
-0.00029304 0.00014288 -0.00002051
0.00456461 0.03201710 -0.01115337
19.07190696 -5.78890042 -6.65863580
-0.00031026 -0.00007131 -0.00015979
-0.05790733 0.01797284 0.00902473
-1.67513732 -0.03191985 -2.67829155
0.00003588 -0.00022989 -0.00010986
-0.01906420 -0.00418708 0.05885796
2.33373017 -1.84662183 -12.12624117
-0.00018122 0.00023780 0.00035371
0.05835085 0.00630360 -0.02373598
20.20587567 9.35807288 -5.31229963
-0.00049971 -0.00004811 -0.00016869
0.04047552 0.02544229 0.03863301
-7.54566872 6.41791266 9.47989670
-0.00023983 -0.00013459 0.00026009
-0.00795310 -0.00545917 0.01905754
-2.57827529 -14.57450966 11.45579829
0.00021371 0.00005893 -0.00011580
-0.00342731 -0.01728640 0.00656867
8.12436553 0.26921709 -4.92482643
-0.00000165 -0.00017323 0.00021604
-0.00938561 0.03268180 -0.03766258
-0.11371685 -10.20539882 0.35277626
-0.00012326 -0.00033341 -0.00024870
0.00893987 -0.00926339 0.01278491
-20.18423807 -1.27286328 4.77897167
-0.00020089 0.00033524 -0.00000730
-0.02575004 0.03349702 -0.00257024
-4.58557761 7.65198878 -23.62633012
0.00014661 0.00024015 -0.00006493
-0.00233460 0.01953532 0.00822316
2.57746119 2.29077959 -1.13952097
0.00007621 -0.00036539 0.00030097
-0.00771189 -0.01542395 -0.01594857
15.51470886 7.42135523 4.59097285
-0.00003742 -0.00017133 -0.00015668
-0.00964536 -0.03885927 0.03719666
-9.51503398 -4.67091852 7.86814577
-0.00048522 0.00010653 0.00132121
-0.02358199 0.00693563 -0.01898902
-10.15057831 -3.94069357 5.05866990
0.00049462 -0.00107749 0.00021119
0.01143154 -0.00593233 -0.00934438
-12.82812807 4.75814925 8.51467741
0.00022344 -0.00012940 -0.00047064
0.01784316 0.00595366 -0.01261906
-13.79382233 1.93351258 8.61983308
-0.00058588 -0.00019636 -0.00025210
0.00921840 -0.01383647 -0.00885520
-15.38045117 2.10050093 5.11509588
-0.00060291 0.00054506 -0.00054430
-0.00639874 -0.01994338 -0.03426304
-17.36791034 0.28682583 3.96994771
0.00013808 0.00128399 -0.00073184
0.00228885 0.00199598 -0.00309827
3.18577808 -21.32671835 11.77144709
0.00008572 -0.00045475 0.00021641
-0.01875266 0.01995489 0.02004781
3.64516247 -19.63773237 14.18866201
0.00028224 0.00114735 -0.00053882
0.03714914 0.00729115 0.04153132
8.76809241 18.73050096 1.13737173
0.00090096 -0.00035724 -0.00027638
-0.00988620 0.00565237 0.00025634
8.56915745 21.71732542 2.01698300
0.00041531 0.00070886 0.00036196
0.00350667 -0.02316965 -0.00462211
-11.16438305 11.68023241 16.49309742
-0.00107355 0.00034623 0.00008659
0.00162927 0.01258886 0.00555433
-12.57349784 14.18934944 15.76946788
0.00007881 -0.00007860 0.00005065
-0.00507516 0.01926513 0.01027459
-5.17747069 0.13414920 -13.24735447
0.00038743 -0.00003603 -0.00014397
-0.01659825 0.01893555 0.00616482
-6.70822948 0.53253094 -10.72805372
0.00005282 -0.00054956 0.00036695
0.00846431 0.02472667 -0.02972542
-6.86062116 6.33378357 -5.03149642
-0.00045734 0.00039721 -0.00046954
-0.00006632 -0.00474467 0.00435157
-9.10168986 8.02401370 -5.42349786
0.00005780 0.00026795 0.00012887
-0.01713114 0.00117010 0.00724842
-8.20752425 -3.16542245 19.03348637
0.00099989 0.00025984 -0.00037534
-0.00914568 0.02224693 0.02887892
-7.99074990 -6.00579052 18.45488600
-0.00076777 0.00056535 -0.00023360
-0.00743467 -0.01461560 0.01151866
-23.43130150 -3.49475683 -23.54398697
-0.00062491 0.00022250 -0.00068572
-0.00107350 -0.00858175 0.01498419
-23.00996457 -5.02726875 -20.92170157
-0.00005667 -0.00058587 -0.00047280
-0.00081868 0.01577664 -0.00052882
6.89694177 13.24941372 4.31315574
0.00115759 -0.00013623 -0.00030435
0.00058899 0.00409379 -0.00476073
8.21531318 11.89233808 6.48236176
-0.00039516 0.00066898 -0.00036879
-0.01709076 0.00544977 0.00001269
24.90203852 28.77775128 -2.26430029
0.00018724 0.00060423 -0.00012466
-0.00486419 0.02280771 -0.00909093
24.10956719 31.57836482 -1.67484817
0.00035631 -0.00043841 -0.00015367
-0.01139931 0.01290226 0.01660148
9.25662571 -2.15738281 -15.19038755
-0.00060322 0.00043709 -0.00110105
0.00803095 0.00002362 -0.01052017
8.00223105 -1.76393384 -12.82811818
-0.00013984 -0.00196271 -0.00011367
-0.01233375 0.01199785 -0.01546028
-7.74205703 -0.13490971 15.99181915
-0.00062404 -0.00067452 -0.00090108
0.01876023 0.00224391 -0.01645101
-8.72507809 -2.02328420 14.26453287
-0.00020279 0.00070634 0.00134728
-0.01625856 -0.02575877 -0.00874195
-2.57913598 -26.67852478 12.86024211
0.00055556 -0.00035156 0.00048256
0.00905854 -0.00353872 0.00764600
-3.11771573 -25.91434579 10.15795521
0.00057469 -0.00008678 -0.00011935
-0.01221972 0.00384151 -0.02205892
-14.68583329 -2.91535074 -6.24929490
-0.00038373 -0.00024587 -0.00017486
0.00652088 0.00627908 -0.00228138
-14.70553256 -4.67187392 -8.70610638
0.00059281 -0.00027663 -0.00006760
0.00092136 0.00345510 0.00448603
-19.29209544 -11.22693557 -16.96516049
-0.00019164 -0.00027267 -0.00056406
0.01103131 0.05149429 0.03146708
-18.35590531 -13.34411617 -18.14969491
0.00074090 0.00087696 0.00071530
-0.00937667 -0.01879401 -0.00524861
24.10456281 3.53502754 1.68419362
0.00074938 0.00125457 0.00065419
-0.02134187 -0.00974291 0.00270742
22.94135995 5.15650135 3.82874729
0.00041978 0.00019731 -0.00033166
-0.00434207 0.00067366 0.00654291
16.32876518 -10.04837973 -13.30557256
0.00073556 -0.00009532 0.00025286
-0.04074092 0.01380964 0.03681331
17.03051405 -10.08642808 -16.01863590
-0.00006884 -0.00041501 -0.00058986
-0.00448744 0.00840697 -0.02530304
-0.43473845 2.15673441 -8.00557004
0.00018019 -0.00051435 0.00049784
-0.00476719 -0.00645006 0.00647682
-2.25590165 0.02746456 -7.13972861
-0.00020342 -0.00026596 0.00119401
-0.00203483 -0.01623820 -0.01205387
-5.48577666 -3.80947229 -16.68431167
0.00055068 -0.00132455 -0.00014609
-0.01675076 -0.01149923 -0.01625358
-3.68858175 -1.57917177 -16.62383752
-0.00100165 0.00023974 0.00002899
-0.00285781 -0.00701166 -0.00231072
12.58357419 18.84093835 -20.56043093
-0.00087422 -0.00041875 0.00071299
0.00113752 0.01226493 -0.00586477
11.89135523 16.18626557 -20.13477145
-0.00030066 0.00008737 -0.00026359
0.01636513 0.00065943 0.00029980
-15.26440701 15.68942124 -13.79133279
-0.00067365 0.00026878 0.00069872
-0.02147542 0.00317489 0.03614379
-17.59489484 15.09986799 -12.13044035
0.00121218 0.00000216 0.00022761
-0.01636483 -0.01343144 -0.00758183
2.59388990 15.00332796 5.84250499
-0.00091634 0.00044523 -0.00069394
-0.00972310 0.00306265 0.01437196
0.62895979 15.82116353 8.15326711
0.00058960 -0.00002919 -0.00127855
0.02389701 -0.02078437 -0.01949994
-5.87888363 -8.30451890 1.30203272
0.00017711 0.00090555 0.00019126
-0.02426097 0.04962769 -0.02768220
-3.55783119 -9.82391847 1.72838703
-0.00024246 -0.00130659 0.00046071
-0.00873380 -0.00103933 0.00486518
2.62158486 -4.87442156 2.89598639
0.00132319 0.00060379 0.00003856
-0.01721889 0.10164028 0.01232908
4.48051233 -6.60581874 1.44169059
-0.00006942 -0.00026705 0.00051790
0.00026364 0.00464433 0.00512258
9.29132124 5.71110003 4.00822075
0.00061796 -0.00000026 -0.00112079
-0.02227332 0.01533795 -0.01095118
12.06695252 6.33316944 4.73533393
-0.00012761 0.00024464 -0.00009117
-0.00344886 -0.00733462 -0.00170721
-7.34456901 -10.91243578 -2.56304726
0.00061267 -0.00033967 -0.00002278
0.01810363 -0.02801457 0.01652126
-9.66125824 -9.27428777 -1.51611683
0.00055247 -0.00028695 -0.00003769
-0.00887962 -0.00662037 0.02149744
4.59491634 -16.50705397 -14.27324741
-0.00031744 0.00085488 -0.00033145
-0.03428503 0.02311133 0.01132066
3.81430544 -17.03989235 -11.75641896
-0.00008947 0.00028804 -0.00127903
-0.03355110 0.02018523 -0.00901069
5.70128038 -6.89818103 -5.98589405
0.00005248 0.00057145 -0.00068411
0.00847109 0.01123771 -0.01369380
5.00737264 -8.15141454 -3.63914056
-0.00024529 -0.00014430 -0.00033669
-0.00549903 -0.01212135 -0.01173999
16.84032509 1.65660165 24.69372705
0.00057423 0.00125417 0.00025901
0.00259807 0.00184741 -0.00364228
19.76205522 2.35840224 24.51692968
-0.00058393 0.00052908 -0.00095563
-0.00045360 0.00436805 0.00730208
-9.76971546 3.86551206 2.34742612
-0.00023501 0.00126719 0.00009671
-0.00416267 -0.01538522 -0.00253559
-7.45684156 4.57148071 0.93495594
0.00076179 -0.00079169 0.00032636
0.01042962 0.00530488 -0.00719654
-6.37587478 14.22364000 -9.13740865
0.00090253 -0.00050834 0.00086489
0.00483118 0.00500416 0.00074881
-9.10082736 13.73343166 -9.51124809
0.00049698 -0.00026489 -0.00017220
-0.04444520 -0.01435259 0.02380667
0.34786221 10.91573495 -7.86420347
0.00094905 -0.00003944 0.00089066
-0.00481800 -0.00824200 -0.01042257
2.60888191 12.34072745 -7.73272842
0.00067342 -0.00051840 0.00094519
0.02657818 0.01764603 0.01028369
-10.21541071 9.09058734 -13.78874351
-0.00028021 0.00070755 0.00004968
0.01147878 -0.01170430 0.00717504
-12.59601627 9.93426939 -12.40459531
0.00019407 -0.00021970 -0.00071622
-0.03096474 -0.01325611 0.05971006
7.29444305 6.18899463 14.86065603
0.00032975 0.00062438 -0.00187960
-0.00019201 0.02343522 0.00713272
7.24826224 4.34907517 12.87221778
0.00047137 0.00092654 0.00024181
0.00039110 -0.01391116 0.01278300
-13.74968387 10.56259020 -8.53046568
0.00066811 -0.00030662 -0.00007224
0.00465461 0.01730684 0.01119172
-16.18925760 9.89464911 -9.90713163
0.00027086 -0.00028209 -0.00010237
-0.03393989 0.01042874 -0.01158180
8.32289092 9.91590034 -2.35674434
-0.00090719 0.00079455 -0.00058081
0.00399664 -0.00741211 0.00011755
7.42291212 8.50219911 -4.69802048
0.00112667 0.00013790 -0.00024627
0.02535481 -0.00794578 0.04496051
12.09899780 -20.17083628 -26.46293016
0.00035650 0.00048357 0.00094020
-0.01189187 0.00165770 -0.00437022
13.68838283 -20.06176979 -24.07259148
0.00037402 -0.00103381 -0.00004929
-0.00110149 0.00212828 0.01675967
5.79904842 4.86753516 2.47685903
0.00085991 0.00121613 -0.00142171
-0.00348246 -0.02131452 -0.00633333
6.38747528 7.30707488 0.85806118
0.00030023 -0.00027549 -0.00042960
0.00182575 -0.01273379 0.01400564
20.44073266 -6.43147005 -5.76774166
-0.00037232 0.00029624 -0.00025359
0.02836028 -0.01497663 0.02129834
17.71870267 -5.27601835 -5.39077797
-0.00014556 0.00006254 -0.00034128
0.02217998 -0.00324456 -0.02331058
-2.63024244 0.40548601 -1.06100044
0.00102091 0.00039927 0.00088192
0.01595346 -0.01182565 -0.02554018
-2.51079832 0.95222541 -3.97256265
0.00003637 0.00004581 -0.00053703
0.00835903 0.00766629 -0.00875488
3.58451488 -3.23908682 -12.18000166
0.00070087 -0.00046783 -0.00017127
-0.00927657 0.01098083 0.00046348
0.77856805 -2.53879524 -11.58512873
0.00082208 -0.00070120 -0.00038346
-0.03351270 -0.01642076 0.01676463
19.34120211 8.44024410 -6.51766960
-0.00088512 0.00046697 0.00049828
-0.01096184 -0.03034879 -0.03678602
21.87735788 8.58799428 -4.79348140
-0.00114576 0.00029250 -0.00063973
-0.02243460 0.00395657 -0.00938836
-7.39511206 4.64294991 8.93547483
0.00060455 -0.00022915 0.00036025
0.00247407 0.00055778 0.00676457
-7.66560053 6.25828824 11.33366199
-0.00069393 0.00023456 -0.00101240
-0.00134518 0.00277111 -0.01799275
-3.18437208 -16.30789815 11.28102636
-0.00033721 0.00067709 -0.00099584
0.01162096 0.00407372 -0.00124594
-4.15476790 -13.72064956 11.62255771
-0.00007198 -0.00072866 -0.00057753
-0.00988913 0.00956879 -0.00169137
8.48593607 0.55431157 -3.21137645
0.00035191 0.00003403 -0.00083002
0.00394875 -0.00016730 0.02697081
7.82145464 2.03974704 -5.73675838
0.00017585 -0.00097202 -0.00050592
0.00258214 -0.03363615 0.01324587
1.14364365 -10.70382793 1.63691102
-0.00098504 -0.00029926 0.00021586
-0.01541839 -0.00457423 -0.00161090
0.09093451 -8.39638177 0.34528347
-0.00018765 0.00000239 -0.00004202
0.00024256 0.00592897 -0.01216184
-20.17522829 -1.39752207 6.64242848
-0.00037121 -0.00047783 0.00049050
0.00302051 -0.00151582 -0.00270756
-21.29001924 0.29794780 4.44283319
-0.00046205 0.00013337 0.00011399
0.02688576 -0.03228958 0.00436286
-3.82900872 8.35009114 -25.24919471
0.00021524 -0.00026963 -0.00156124
-0.00206648 -0.00049139 0.03117477
-4.52190627 8.99196546 -22.30759699
-0.00040140 -0.00077064 0.00076131
0.00365062 -0.01961253 -0.02618162
3.93068889 1.14244958 -0.91015748
0.00082922 0.00119009 0.00007065
0.02396593 -0.00330933 0.00345274
1.28543151 1.05185182 -1.77542982
0.00016613 -0.00032832 0.00099553
-0.00627770 0.02411356 -0.00039499
15.82822350 7.61329714 6.42563868
-0.00067508 0.00055154 -0.00094148
-0.00168372 -0.00458881 -0.01605534
15.86375479 8.99200419 3.92922685
0.00010313 -0.00090653 0.00045143
0.00883570 0.04672656 -0.02461354
-0.32312107 -11.81905978 -13.23222773
0.00012469 -0.00001114 0.00022748
0.01124601 0.00042665 -0.00124771
-13.94230179 14.46753658 22.21086596
-0.00002061 -0.00012833 0.00015153
-0.00105790 -0.00214158 0.00187590
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03189312
0.32415781
431.92402844
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1350567875
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4518661424 (a.u.)
total exchange computation time: 2.7674250603 s
-154.6045038334
-931.35225938
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1350567875
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4505458937 (a.u.)
total exchange computation time: 2.7698271275 s
-154.6158060881
Anderson extrapolation: theta=1.3558523041 (1.3558523041)
-931.35256717
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1350567875
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4486892581 (a.u.)
total exchange computation time: 2.7692289352 s
-154.6315808135
Anderson extrapolation: theta=0.0600351003 (0.0600351003)
-931.35275572
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1350567875
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4485347140 (a.u.)
total exchange computation time: 2.7676441669 s
-154.6329166037
Anderson extrapolation: theta=2.2153974636 (2.0000000000)
-931.35276557
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1350567875
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4482349306 (a.u.)
total exchange computation time: 2.7694990635 s
-154.6355645731
Anderson extrapolation: theta=0.3741114012 (0.3741114012)
-931.35277883
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1350567875
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4481525013 (a.u.)
total exchange computation time: 2.7732179165 s
-154.6363603064
Anderson extrapolation: theta=1.2808153075 (1.2808153075)
-931.35278277
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1350567875
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4480947724 (a.u.)
total exchange computation time: 2.7680699825 s
-154.6370148466
Anderson extrapolation: theta=0.4695046226 (0.4695046226)
-931.35278650
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1350567875
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4481130014 (a.u.)
total exchange computation time: 2.7695457935 s
-154.6369667337
Anderson extrapolation: theta=0.9120956739 (0.9120956739)
-931.35278784
-164.162377 50.059266 -204.424784
-133.039588 460.452803 -800.676156
-297.201965 510.512069 -1005.100939
1165.838530
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0562500000
ExchangeOperator: pair fraction: ispin=0: 0.1350567875
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4481622975 (a.u.)
total exchange computation time: 2.6716680527 s
680.02040423
-1086.38601468
89.79027301
-387.30047977
-175.02880909
79.76877855
551.60419304
0.00000000
-931.35278860
-10.91825182 -4.27351137 6.67119177
0.00009970 -0.00010295 -0.00012644
0.01891234 -0.01352253 0.04038594
-13.95377360 3.62486747 9.28603699
0.00026749 0.00027912 -0.00020154
-0.02799421 0.00837762 0.02370915
-15.94763047 1.40102635 3.42587294
-0.00005276 0.00016542 0.00006852
0.00612811 0.02302667 0.02915196
2.59738336 -19.83225843 12.82684968
0.00026056 -0.00003100 0.00003206
-0.02605335 -0.02715546 -0.06225664
9.59695521 20.36156423 1.18844010
-0.00017128 -0.00004851 0.00040336
0.00209015 0.02109176 -0.00070493
-12.09163808 12.56321653 15.19151345
-0.00012977 -0.00006272 0.00015192
0.01463837 -0.01657841 -0.02017550
-6.21725298 1.45128289 -12.41979266
0.00017968 -0.00010110 -0.00040275
0.00266240 -0.04148343 0.02965240
-7.42630125 7.76387240 -5.99524771
-0.00004258 -0.00018184 -0.00020425
0.01038023 0.00262493 -0.02036427
-7.75682933 -4.34279297 17.81293372
-0.00013799 -0.00007641 0.00006983
0.01993542 -0.01829088 -0.03639021
-23.55613971 -5.13084032 -22.64838881
-0.00016511 -0.00036305 -0.00014858
-0.00552118 0.00287436 -0.02140101
6.59889612 12.76503528 6.05021018
-0.00001781 -0.00005893 0.00003959
0.02180368 -0.00793400 -0.00666799
24.76108607 30.51601776 -2.96294343
0.00013779 0.00017417 -0.00015417
0.00991584 -0.03694493 -0.01310683
7.92004875 -1.03539903 -14.55255474
0.00002305 0.00042585 -0.00005969
-0.00310660 -0.01238582 0.04272438
-7.34219854 -0.91176204 14.31731466
-0.00020319 0.00014769 -0.00026447
0.00613058 0.02689431 0.00642316
-1.74557174 -26.20236914 11.26611975
0.00017856 0.00011286 -0.00022926
0.00289207 -0.00568832 0.01062154
-14.04679491 -4.46671318 -6.99096988
0.00015546 0.00024340 0.00009023
-0.00503115 -0.01627292 -0.01062765
-20.00948568 -12.63503727 -17.70242360
0.00003151 -0.00013235 0.00019193
0.00141623 -0.03542446 -0.02650607
22.75967703 3.53890716 3.00505958
0.00006242 -0.00024375 0.00002112
0.01707643 0.01715890 0.00084177
17.67991205 -10.29171013 -14.37107675
-0.00027330 -0.00033554 0.00002239
0.04972114 -0.01466972 -0.01915038
-1.98307262 1.79113858 -7.02586893
0.00027412 -0.00016591 -0.00002517
-0.00228693 0.02293141 -0.01127205
-4.28574622 -3.02493711 -15.63664734
-0.00024034 0.00012909 -0.00006339
0.01884061 0.01868189 0.01266776
13.38982104 17.30301978 -19.96936340
0.00017912 0.00017602 0.00034820
-0.01267362 -0.01713116 -0.00375469
-16.09472937 16.09549855 -12.09562131
0.00053335 0.00011084 -0.00002780
0.04065603 0.01800589 -0.01561393
1.95464887 14.59203418 7.55413013
0.00049509 0.00032179 0.00017667
-0.02560671 0.01059242 0.00597044
-5.36034639 -9.66943603 2.23606580
-0.00005396 -0.00023297 0.00023553
0.03654720 -0.04422670 0.02185595
3.07322304 -6.47400033 2.63776360
-0.00005629 -0.00037775 0.00025031
0.01746252 -0.08802283 -0.01259246
10.85677980 4.95298972 4.41923434
-0.00007931 0.00023222 -0.00008059
0.02502418 0.00380336 0.02177206
-8.52666998 -9.63108052 -2.85347468
-0.00010821 0.00035812 -0.00049035
-0.00507534 0.02590971 -0.03691727
3.13772806 -15.93592882 -13.15592073
0.00017537 -0.00006746 0.00025678
0.05599272 -0.03272647 -0.00807467
4.79362159 -8.38000636 -5.46382110
-0.00012447 0.00020322 0.00058952
-0.00308706 0.00628719 0.01871258
18.55317695 0.98043227 24.66912314
-0.00003225 0.00007674 -0.00018685
-0.00551969 -0.00803610 -0.00398235
-8.50890268 3.10555323 1.16515223
-0.00039368 -0.00004056 0.00011790
0.00713200 0.00422871 -0.00020220
-7.67784532 14.21967843 -10.40137006
0.00024860 -0.00001307 0.00025228
0.04775598 0.00955075 -0.02164049
1.71335061 11.42504355 -8.99316487
-0.00008131 0.00007333 -0.00013098
-0.01828173 -0.00430504 0.00341948
-11.69078615 10.10826399 -13.85759258
0.00027669 0.00017481 -0.00005600
0.01701588 0.02428209 -0.06834399
6.93180595 4.43777042 14.72444362
-0.00047575 0.00011229 0.00010312
0.00752886 -0.01246904 -0.02612318
-14.82287250 9.18081834 -9.05495892
-0.00038155 -0.00027457 0.00028637
0.02699939 -0.02755132 0.00291978
8.49897739 8.22012305 -3.08843290
-0.00006353 -0.00024910 -0.00008155
-0.02831230 0.02842353 -0.03689984
13.77000184 -20.44977038 -25.86223592
0.00008774 -0.00006576 -0.00029168
0.01265727 -0.00296036 -0.00907525
6.22617875 6.61784435 2.58103513
-0.00029001 0.00016168 -0.00002687
0.00724122 0.04109179 -0.01357862
19.06702970 -5.78990079 -6.66099788
-0.00034000 -0.00006206 -0.00015562
-0.05773775 0.01800168 0.00721147
-1.67467272 -0.03538431 -2.67971237
0.00002570 -0.00023158 -0.00007962
-0.02052511 -0.00241180 0.05871832
2.33123699 -1.84303052 -12.12102705
-0.00014875 0.00024015 0.00034095
0.06788940 0.00285033 -0.02587736
20.19853618 9.35744933 -5.31468096
-0.00047937 -0.00003400 -0.00014832
0.03859141 0.02942569 0.04056393
-7.54929678 6.41587268 9.48387151
-0.00024366 -0.00013740 0.00026753
-0.00694143 -0.00545418 0.00987197
-2.57508283 -14.57369238 11.45408660
0.00021207 0.00005036 -0.00011242
-0.00297082 -0.01602253 0.00659279
8.12430459 0.26674471 -4.92173108
-0.00000687 -0.00015731 0.00019478
-0.01090754 0.02923992 -0.04500976
-0.11553127 -10.21043575 0.34909501
-0.00011896 -0.00033740 -0.00024237
0.00779455 -0.00625461 0.01186653
-20.18735082 -1.26770540 4.77885230
-0.00021406 0.00035209 -0.00000772
-0.02543115 0.03202435 0.00092383
-4.58338747 7.65566639 -23.62727235
0.00014560 0.00024982 -0.00006192
-0.00158933 0.01807747 0.00349547
2.57857462 2.28523923 -1.13506789
0.00007187 -0.00037226 0.00029285
-0.00916838 -0.01128932 -0.01564619
15.51411040 7.41863534 4.58876609
-0.00004298 -0.00019300 -0.00013800
-0.01198267 -0.04537730 0.03547103
-9.52303496 -4.66910803 7.88738211
-0.00058425 0.00013601 0.00123879
-0.02489034 0.00749348 -0.02135802
-10.14280866 -3.95703776 5.06155141
0.00054437 -0.00110096 0.00016977
0.01291836 -0.00555659 -0.01093185
-12.82422970 4.75639063 8.50723119
0.00029788 -0.00010416 -0.00052362
0.01859443 0.00640370 -0.01331556
-13.80232802 1.93014326 8.61578019
-0.00054839 -0.00024766 -0.00028601
0.00913050 -0.01127730 -0.00774399
-15.38969095 2.10806578 5.10588144
-0.00062687 0.00046607 -0.00067789
-0.00532986 -0.01872581 -0.03113090
-17.36576905 0.30614685 3.95887511
0.00013869 0.00128432 -0.00074072
-0.00198923 -0.00183308 -0.00124595
3.18648925 -21.33292813 11.77530760
0.00000932 -0.00037154 0.00029961
-0.01864391 0.02077764 0.02067804
3.65053443 -19.62029870 14.18185233
0.00043729 0.00117827 -0.00036658
0.03874731 0.00784589 0.04278103
8.78130388 18.72531560 1.13323385
0.00085688 -0.00033479 -0.00027447
-0.01169399 0.00533502 0.00067770
8.57549458 21.72724827 2.02227070
0.00042872 0.00061032 0.00034238
0.00305765 -0.02506261 -0.00496136
-11.18043643 11.68581167 16.49456646
-0.00106063 0.00039139 0.00011714
0.00469830 0.00951784 0.00939993
-12.57247126 14.18876081 15.77054254
0.00005735 0.00000123 0.00009228
-0.00542831 0.01980979 0.01010347
-5.17216783 0.13418899 -13.24932518
0.00032013 0.00004052 -0.00011931
-0.01634499 0.01853387 0.00590754
-6.70717784 0.52504519 -10.72346028
0.00008873 -0.00044530 0.00023970
0.00911527 0.02631033 -0.03256522
-6.86748326 6.33959636 -5.03840621
-0.00045360 0.00036807 -0.00044554
0.00189376 -0.00952262 0.00739579
-9.10134775 8.02806876 -5.42134275
-0.00001014 0.00027303 0.00015774
-0.01612986 0.00131734 0.00688640
-8.19280611 -3.16084314 19.02874115
0.00096149 0.00035480 -0.00025285
-0.00965419 0.02423715 0.03108100
-8.00249425 -5.99775807 18.45173497
-0.00079947 0.00049684 -0.00018270
-0.00808148 -0.01892055 0.01339629
-23.44070802 -3.49168230 -23.55381354
-0.00062943 0.00017982 -0.00061955
-0.00113871 -0.01230896 0.01740548
-23.01083975 -5.03557332 -20.92880984
-0.00005817 -0.00052030 -0.00047018
0.00008527 0.01632057 0.00181503
6.91432367 13.24749578 4.30844465
0.00115678 -0.00012041 -0.00031725
-0.00098471 0.00364619 -0.00155318
8.20886207 11.90253981 6.47683025
-0.00045721 0.00068627 -0.00036460
-0.01328301 0.00301110 0.00203935
24.90469804 28.78751363 -2.26644883
0.00016811 0.00069162 -0.00016082
-0.00449724 0.01997094 -0.00860596
24.11456257 31.57218397 -1.67664446
0.00030716 -0.00038073 -0.00008126
-0.01266312 0.01533218 0.01884369
9.24782348 -2.15082574 -15.20722566
-0.00056937 0.00043735 -0.00114406
0.00853843 0.00010274 -0.01053473
7.99975549 -1.79300684 -12.83029703
-0.00019013 -0.00190790 -0.00018664
-0.01228127 0.01483343 -0.02025972
-7.75084275 -0.14495873 15.97779882
-0.00054639 -0.00065730 -0.00095820
0.01924874 0.00618231 -0.01151012
-8.72861811 -2.01347842 14.28447415
-0.00027444 0.00059454 0.00130783
-0.01881660 -0.02897045 -0.01056722
-2.57052507 -26.68390656 12.86771474
0.00059437 -0.00036374 0.00050623
0.00994078 -0.00242568 0.00394119
-3.10946980 -25.91552978 10.15548906
0.00051937 -0.00007038 -0.00021229
-0.01486048 0.00418597 -0.02343543
-14.69138937 -2.91884635 -6.25198775
-0.00035883 -0.00021590 -0.00018231
0.00566824 0.00838899 -0.00136456
-14.69661212 -4.67591756 -8.70698294
0.00059673 -0.00026179 -0.00004853
0.00099338 0.00381326 0.00485140
-19.29463198 -11.22944766 -16.97265707
-0.00014502 -0.00005326 -0.00043138
0.01179056 0.05590918 0.03347955
-18.34507915 -13.33153763 -18.13912626
0.00070039 0.00079870 0.00069307
-0.01045373 -0.01951474 -0.00563082
24.11514947 3.55354758 1.69408940
0.00066083 0.00121142 0.00066479
-0.02200206 -0.01138093 0.00248349
22.94752359 5.15948159 3.82397291
0.00039962 0.00019642 -0.00030477
-0.00552523 -0.00110703 0.00661715
16.33855020 -10.04938637 -13.30065154
0.00056038 -0.00003682 0.00040863
-0.04501089 0.01482721 0.03943384
17.02934393 -10.09239562 -16.02825916
-0.00008506 -0.00038117 -0.00068341
-0.00345181 0.00815962 -0.02049140
-0.43218173 2.14882145 -7.99790389
0.00016558 -0.00054033 0.00052097
-0.00238404 -0.00626730 0.00484402
-2.25901529 0.02297763 -7.12218782
-0.00021041 -0.00032992 0.00114386
-0.00138675 -0.01507169 -0.01249696
-5.47802978 -3.82969286 -16.68700110
0.00048534 -0.00136958 -0.00021032
-0.01523324 -0.01054443 -0.01518799
-3.70369413 -1.57579054 -16.62347344
-0.00101256 0.00021281 0.00001773
-0.00247976 -0.00617047 -0.00320450
12.57049575 18.83503288 -20.54991586
-0.00086888 -0.00036428 0.00068823
0.00147869 0.01439799 -0.00625170
11.88734684 16.18759627 -20.13871606
-0.00022845 0.00009131 -0.00026117
0.01898350 0.00127019 0.00088395
-15.27516976 15.69355016 -13.77974441
-0.00075345 0.00028001 0.00083445
-0.01758781 0.00232304 0.03029823
-17.57721367 15.09948878 -12.12725860
0.00113748 -0.00005696 0.00019810
-0.02019974 -0.01550570 -0.00686294
2.57984679 15.01010022 5.83253632
-0.00095491 0.00045455 -0.00063193
-0.00915501 0.00150082 0.01597959
0.63853608 15.82008882 8.13349125
0.00067991 -0.00010877 -0.00135220
0.02031085 -0.01817417 -0.01654814
-5.87697037 -8.28941489 1.30405343
0.00008637 0.00109202 0.00008960
-0.02015972 0.04165001 -0.02208195
-3.56173579 -9.84354912 1.73544683
-0.00027681 -0.00130919 0.00047894
-0.00807762 -0.00023518 0.00405409
2.64090509 -4.86225006 2.89694252
0.00125836 0.00100197 0.00008672
-0.01451579 0.09327138 0.01124837
4.47947918 -6.60968219 1.44961610
-0.00006580 -0.00025019 0.00053693
0.00150560 0.00360873 0.00418947
9.29990814 5.71156611 3.99107337
0.00052051 0.00006541 -0.00116678
-0.02542759 0.01681061 -0.01156287
12.06493273 6.33661432 4.73391411
-0.00014152 0.00021494 -0.00009775
-0.00336161 -0.00720303 -0.00151319
-7.33482423 -10.91838932 -2.56288275
0.00067281 -0.00043845 0.00004009
0.01133462 -0.02033729 0.01425367
-9.65324336 -9.27879482 -1.51602338
0.00051382 -0.00031276 0.00005233
-0.01003574 -0.00601587 0.02256733
4.58910408 -16.49352251 -14.27787219
-0.00045451 0.00094785 -0.00028707
-0.03281220 0.02239741 0.01040211
3.81193526 -17.03495314 -11.77588050
-0.00022047 0.00036043 -0.00130208
-0.03057620 0.01524850 -0.00227452
5.70232716 -6.88926485 -5.99657538
0.00008090 0.00060699 -0.00073413
0.00543956 0.00615939 -0.01078705
5.00352476 -8.15395051 -3.64455071
-0.00026562 -0.00019073 -0.00037162
-0.00445094 -0.01060375 -0.00535657
16.84901822 1.67547084 24.69750061
0.00058151 0.00125952 0.00024429
0.00096424 0.00077131 -0.00356347
19.75328240 2.36647228 24.50281892
-0.00058413 0.00054483 -0.00092519
0.00035477 0.00334416 0.00760071
-9.77336820 3.88404848 2.34879904
-0.00024943 0.00120179 0.00008397
-0.00289537 -0.01662996 -0.00369892
-7.44509518 4.55976786 0.93963082
0.00080338 -0.00077085 0.00029650
0.00993218 0.00489724 -0.00741973
-6.36218876 14.21616826 -9.12441239
0.00091153 -0.00048785 0.00085824
-0.00042702 0.00502337 -0.00400062
-9.09473464 13.72901850 -9.51310165
0.00031162 -0.00032521 -0.00007208
-0.04628980 -0.01517601 0.02520348
0.36195032 10.91489081 -7.85116302
0.00092659 -0.00007411 0.00084721
-0.00617543 -0.00873067 -0.01084616
2.61979763 12.33349225 -7.71823542
0.00077623 -0.00045286 0.00097643
0.02374784 0.01443311 0.00500827
-10.21926207 9.10084190 -13.78777848
-0.00022281 0.00065271 0.00007921
0.01661862 -0.01513881 0.00728111
-12.59405408 9.93056767 -12.41350890
0.00006284 -0.00027488 -0.00046627
-0.03327462 -0.01375608 0.06264016
7.29938343 6.19907845 14.83268054
0.00032637 0.00071351 -0.00184726
-0.00146338 0.02019452 0.00870182
7.25534478 4.36254694 12.87623662
0.00047150 0.00086508 0.00029184
-0.00032675 -0.01617433 0.01170639
-13.73951962 10.55852129 -8.53120629
0.00068197 -0.00024141 -0.00002900
0.00213119 0.01461218 0.00997230
-16.18623471 9.89073731 -9.90902207
0.00012856 -0.00023716 -0.00015228
-0.03571701 0.01156601 -0.01285011
8.30940561 9.92759146 -2.36545285
-0.00088875 0.00075358 -0.00058294
0.00502945 -0.01264160 -0.00116134
7.44058919 8.50402413 -4.70033684
0.00122609 0.00010359 -0.00006781
0.02331036 -0.00884800 0.04239873
12.10398083 -20.16353191 -26.44896102
0.00029916 0.00049195 0.00091825
-0.01617576 0.00244554 -0.00637641
13.69395939 -20.07721175 -24.07281721
0.00037044 -0.00102506 0.00001828
-0.00064995 0.00215560 0.01631431
5.81184029 4.88512403 2.45533932
0.00084097 0.00110994 -0.00144649
-0.00578574 -0.03066695 -0.00579933
6.39203470 7.30255240 0.85204635
0.00030772 -0.00032558 -0.00036900
0.00183903 -0.01178751 0.01565951
20.43601687 -6.42748533 -5.77089283
-0.00025407 0.00023414 -0.00016507
0.02952483 -0.01542280 0.02202952
17.71719895 -5.27517963 -5.39661142
-0.00005736 0.00004992 -0.00043449
0.02099540 -0.00293363 -0.02231843
-2.61443995 0.41111270 -1.04855432
0.00108588 0.00035001 0.00077225
0.01584823 -0.01229040 -0.02814206
-2.50999667 0.95314742 -3.98088632
0.00007315 0.00007427 -0.00056640
0.00964727 0.00626586 -0.00562226
3.59474360 -3.24576783 -12.18255645
0.00065431 -0.00041230 -0.00016897
-0.01351390 0.01620156 0.00066248
0.78987236 -2.54981643 -11.59036689
0.00067473 -0.00077214 -0.00031161
-0.03861787 -0.01830418 0.01840756
19.32758946 8.44631868 -6.51132268
-0.00093433 0.00033846 0.00034108
-0.01312872 -0.03255790 -0.04016532
21.85948404 8.59250294 -4.80336511
-0.00122944 0.00030432 -0.00067550
-0.01852924 0.00183107 -0.00811912
-7.38596797 4.63952969 8.94108579
0.00061438 -0.00022550 0.00038807
0.00233534 0.00122952 0.00685543
-7.67605070 6.26189151 11.31792464
-0.00070066 0.00024431 -0.00106744
-0.00194887 0.00200552 -0.00895128
-3.18907408 -16.29761705 11.26605064
-0.00028923 0.00068736 -0.00100141
0.01186412 0.00095639 -0.00148003
-4.15615071 -13.73128620 11.61384300
-0.00011413 -0.00068605 -0.00058400
-0.01074290 0.01128875 -0.00147990
8.49133571 0.55481692 -3.22300023
0.00037148 0.00003651 -0.00070451
0.00563281 0.00137836 0.03446428
7.82417154 2.02413602 -5.74394131
0.00018594 -0.00110531 -0.00045181
0.00235568 -0.03160790 0.01324351
1.12839558 -10.70845700 1.64009954
-0.00104481 -0.00031887 0.00021113
-0.01383775 -0.00502321 -0.00070602
0.08812723 -8.39616429 0.34428042
-0.00018730 0.00002125 -0.00009171
-0.00007191 0.00330646 -0.01215715
-20.18070391 -1.40473592 6.64970294
-0.00035909 -0.00048224 0.00047213
0.00291353 -0.00064603 -0.00628042
-21.29612616 0.29895885 4.44467678
-0.00035252 0.00000216 0.00013214
0.02673245 -0.03193903 0.00452237
-3.82584349 8.34603160 -25.27165795
0.00020382 -0.00027184 -0.00142261
-0.00352307 -0.00059076 0.03668411
-4.52781536 8.97980492 -22.29697965
-0.00038492 -0.00084712 0.00065336
0.00441711 -0.01782692 -0.02665844
3.94386154 1.16019955 -0.90899190
0.00093106 0.00117144 0.00008471
0.02588691 -0.00582166 0.00343088
1.28773115 1.04766591 -1.76050902
0.00014028 -0.00023314 0.00099244
-0.00637623 0.02248020 -0.00111462
15.81804571 7.62142958 6.41102444
-0.00068017 0.00053171 -0.00099529
-0.00080930 -0.00511426 -0.01028407
15.86557245 8.97983808 3.93524404
0.00014225 -0.00070120 0.00034288
0.01031528 0.05378448 -0.02852253
-0.32122053 -11.81922566 -13.22881886
0.00012871 -0.00001096 0.00022704
0.01119115 0.00052791 -0.00120331
-13.94261285 14.46560791 22.21314217
-0.00002084 -0.00012884 0.00015200
-0.00088591 -0.00223801 0.00214622
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03112868
0.32165992
428.59571449
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1356625203
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4608445641 (a.u.)
total exchange computation time: 2.8104817867 s
-154.6400925555
-931.35169495
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1356625203
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.4592924267 (a.u.)
total exchange computation time: 2.8131361008 s
-154.6527523014
Anderson extrapolation: theta=1.3635852174 (1.3635852174)
-931.35200848
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1356625203
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4570316654 (a.u.)
total exchange computation time: 2.8119499683 s
-154.6707492842
Anderson extrapolation: theta=0.0621921803 (0.0621921803)
-931.35220111
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1356625203
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.4567836301 (a.u.)
total exchange computation time: 2.8120369911 s
-154.6724947591
Anderson extrapolation: theta=2.2024430323 (2.0000000000)
-931.35221095
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1356625203
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4562616412 (a.u.)
total exchange computation time: 2.8127009869 s
-154.6760961189
Anderson extrapolation: theta=0.3469822360 (0.3469822360)
-931.35222341
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1356625203
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4560854426 (a.u.)
total exchange computation time: 2.8125958443 s
-154.6772537907
Anderson extrapolation: theta=1.2073777793 (1.2073777793)
-931.35222660
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1356625203
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4559078833 (a.u.)
total exchange computation time: 2.8133161068 s
-154.6783549958
Anderson extrapolation: theta=0.4251577470 (0.4251577470)
-931.35222934
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1356625203
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4558702784 (a.u.)
total exchange computation time: 2.8129959106 s
-154.6785176212
Anderson extrapolation: theta=0.9090776469 (0.9090776469)
-931.35223027
-164.138038 50.086881 -204.438256
-133.002809 460.488300 -800.747701
-297.140847 510.575181 -1005.185956
1165.923885
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1356625203
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4558666156 (a.u.)
total exchange computation time: 2.8137159348 s
680.12873541
-1086.63256600
89.78827294
-387.13181998
-175.04898659
79.91009367
551.60419304
0.00000000
-931.35223083
-10.91668339 -4.27510778 6.66945089
0.00010922 -0.00011000 -0.00010488
0.01809490 -0.01388458 0.04347404
-13.94986924 3.62908653 9.28310541
0.00025311 0.00028267 -0.00018956
-0.02791466 0.00542765 0.02284820
-15.94839828 1.40359646 3.42701315
-0.00004870 0.00017782 0.00008198
0.00965634 0.02517970 0.02319153
2.60119122 -19.83282825 12.82709043
0.00024704 -0.00004505 0.00000033
-0.02652833 -0.02744301 -0.06112181
9.59439412 20.36091793 1.19448784
-0.00016966 -0.00003724 0.00040290
0.00419202 0.02273292 -0.00110043
-12.09352819 12.56221179 15.19371438
-0.00012301 -0.00007045 0.00014064
0.01167249 -0.01346479 -0.02367063
-6.21454757 1.44960643 -12.42571954
0.00018073 -0.00012245 -0.00038676
0.00143345 -0.04156919 0.03251096
-7.42689993 7.76115498 -5.99838995
-0.00003813 -0.00017932 -0.00021529
0.00693008 0.00716505 -0.02257836
-7.75882224 -4.34400962 17.81384078
-0.00012758 -0.00008495 0.00005046
0.02055100 -0.01493602 -0.03891061
-23.55863766 -5.13627500 -22.65070008
-0.00016813 -0.00036082 -0.00016068
-0.00621038 0.00579848 -0.02563269
6.59871301 12.76412068 6.05077829
-0.00000736 -0.00006221 0.00003477
0.01886635 -0.00479293 -0.01208554
24.76319112 30.51848787 -2.96530648
0.00014300 0.00015565 -0.00016149
0.01036307 -0.03509977 -0.01536651
7.92038245 -1.02905906 -14.55328531
0.00002141 0.00041867 -0.00003677
-0.00324300 -0.01555264 0.04642487
-7.34522272 -0.90944298 14.31337244
-0.00019971 0.00016100 -0.00026217
0.00738112 0.02488958 0.00250501
-1.74288226 -26.20069813 11.26272176
0.00018026 0.00010955 -0.00022263
0.00372354 -0.00719379 0.01518581
-14.04448237 -4.46312501 -6.98965739
0.00015305 0.00023441 0.00008448
-0.00433815 -0.01866090 -0.01173168
-20.00900758 -12.63715914 -17.69964687
0.00003249 -0.00015088 0.00017822
0.00241152 -0.03663251 -0.02681195
22.76067913 3.53531709 3.00537959
0.00007154 -0.00023400 0.00002170
0.01842448 0.02077173 0.00142186
17.67600429 -10.29679978 -14.37081479
-0.00024750 -0.00034317 0.00001089
0.05062065 -0.01499124 -0.02555652
-1.97896958 1.78873846 -7.02629003
0.00027206 -0.00015471 -0.00003048
-0.00573631 0.02058756 -0.00934727
-4.28927862 -3.02292871 -15.63754936
-0.00023133 0.00013801 -0.00005707
0.01617328 0.01602527 0.01190932
13.39245895 17.30559396 -19.96415485
0.00017193 0.00016668 0.00034613
-0.01527608 -0.01916784 -0.00430510
-16.08657231 16.09723058 -12.09609857
0.00055384 0.00012079 -0.00003423
0.03904325 0.02068038 -0.00939650
1.96197637 14.59690194 7.55680327
0.00048288 0.00032674 0.00017856
-0.02186964 0.00865583 0.00138344
-5.36101487 -9.67310115 2.23968304
-0.00003659 -0.00025340 0.00024543
0.03102428 -0.03523720 0.01664007
3.07244606 -6.48000619 2.64146971
-0.00004873 -0.00041926 0.00024452
0.01192031 -0.07337789 -0.00992390
10.85568671 4.95648777 4.41810942
-0.00006606 0.00023392 -0.00006931
0.02648058 0.00277486 0.02211592
-8.52831268 -9.62560877 -2.86097237
-0.00010887 0.00036926 -0.00050882
0.00251865 0.01740398 -0.03490982
3.14057453 -15.93706697 -13.15210023
0.00020273 -0.00008252 0.00025104
0.05040608 -0.02584337 -0.01422859
4.79174256 -8.37693385 -5.45490619
-0.00012558 0.00020736 0.00059649
-0.00120789 0.00982641 0.00840214
18.55267184 0.98155237 24.66630498
-0.00003487 0.00007314 -0.00018895
-0.00464494 -0.00595243 -0.00418607
-8.51478035 3.10496107 1.16691994
-0.00039009 -0.00003799 0.00011799
0.00683947 0.00579824 0.00055869
-7.67393212 14.21951915 -10.39766940
0.00027437 -0.00000814 0.00024224
0.05245793 0.00964004 -0.01739051
1.71206041 11.42612692 -8.99511637
-0.00008952 0.00007216 -0.00012770
-0.01362517 -0.00025076 0.00933054
-11.68657019 10.11097975 -13.85869623
0.00028435 0.00018813 -0.00009111
0.01276536 0.02754456 -0.06818246
6.92469872 4.43940666 14.72588962
-0.00047138 0.00010743 0.00008966
0.00945161 -0.00642037 -0.02620167
-14.82849154 9.17659351 -9.05065204
-0.00036676 -0.00028804 0.00028833
0.03049784 -0.02483575 0.00467700
8.49791516 8.21649622 -3.08979850
-0.00007768 -0.00023312 -0.00009932
-0.02669094 0.03369953 -0.03218415
13.77136683 -20.45076819 -25.86664616
0.00009512 -0.00006740 -0.00029559
0.01600939 -0.00342230 -0.00610604
6.22185660 6.62042810 2.58057967
-0.00028568 0.00018479 -0.00003429
0.00955879 0.04878448 -0.01526587
19.06170701 -5.79076229 -6.66330432
-0.00036911 -0.00005303 -0.00015228
-0.05545726 0.01711857 0.00577362
-1.67436647 -0.03886738 -2.68068019
0.00001486 -0.00023239 -0.00004967
-0.02162330 -0.00072041 0.05776726
2.32926755 -1.83941722 -12.11601256
-0.00011201 0.00024075 0.00032724
0.07498956 -0.00054431 -0.02743992
20.19149442 9.35705279 -5.31674934
-0.00046052 -0.00001811 -0.00012747
0.03471895 0.03236834 0.04054234
-7.55297839 6.41379062 9.48792247
-0.00024692 -0.00014019 0.00027001
-0.00576363 -0.00539787 -0.00021016
-2.57191328 -14.57299871 11.45242578
0.00021057 0.00004257 -0.00010899
-0.00286630 -0.01430795 0.00673735
8.12415951 0.26449790 -4.91898297
-0.00001279 -0.00014329 0.00017017
-0.01211516 0.02524902 -0.05067945
-0.11728555 -10.21552094 0.34550530
-0.00011529 -0.00033982 -0.00023657
0.00646886 -0.00314862 0.01067618
-20.19065976 -1.26230046 4.77874005
-0.00022692 0.00036801 -0.00000637
-0.02459857 0.02988701 0.00431607
-4.58120958 7.65948346 -23.62818763
0.00014490 0.00025855 -0.00006131
-0.00115523 0.01585760 -0.00114446
2.57961732 2.27961177 -1.13073553
0.00006703 -0.00037710 0.00028496
-0.00965809 -0.00752518 -0.01504291
15.51341949 7.41556537 4.58683298
-0.00004962 -0.00021741 -0.00012066
-0.01384953 -0.04954934 0.03195418
-9.53256137 -4.66683830 7.90530949
-0.00068721 0.00016733 0.00114790
-0.02551300 0.00783828 -0.02313521
-10.13424728 -3.97372250 5.06376295
0.00059959 -0.00112319 0.00012294
0.01411455 -0.00532233 -0.01199086
-12.81919175 4.75502447 8.49896891
0.00037414 -0.00007822 -0.00057860
0.01873784 0.00629168 -0.01360152
-13.81027414 1.92608280 8.61125270
-0.00051134 -0.00028766 -0.00031503
0.00900597 -0.00830457 -0.00646252
-15.39925736 2.11448299 5.09475910
-0.00064581 0.00039302 -0.00079665
-0.00393991 -0.01703270 -0.02700284
-17.36374966 0.32535553 3.94772614
0.00012127 0.00126887 -0.00074204
-0.00653599 -0.00573218 0.00059819
3.18605780 -21.33786452 11.78043539
-0.00006595 -0.00028622 0.00038445
-0.01820122 0.02098807 0.02085299
3.65828106 -19.60238418 14.17766454
0.00059506 0.00121074 -0.00019425
0.03848439 0.00804829 0.04157751
8.79379867 18.72045721 1.12913750
0.00080559 -0.00031418 -0.00027086
-0.01340884 0.00475303 0.00109137
8.58201911 21.73563512 2.02725432
0.00043989 0.00050497 0.00032184
0.00240867 -0.02650842 -0.00509139
-11.19620186 11.69197423 16.49661159
-0.00103517 0.00042387 0.00016354
0.00776347 0.00638000 0.01331384
-12.57177737 14.18938623 15.77223640
0.00003490 0.00008166 0.00013254
-0.00555968 0.01956487 0.00959976
-5.16786670 0.13536465 -13.25093384
0.00025471 0.00011442 -0.00009633
-0.01568135 0.01764139 0.00534396
-6.70556755 0.51917190 -10.72086265
0.00012687 -0.00033541 0.00010226
0.00955642 0.02748035 -0.03471297
-6.87422929 6.34482556 -5.04486273
-0.00044206 0.00031977 -0.00040934
0.00375614 -0.01411740 0.01032580
-9.10199419 8.03220454 -5.41876560
-0.00007265 0.00027845 0.00018466
-0.01446694 0.00133577 0.00629182
-8.17867964 -3.15477843 19.02590076
0.00092207 0.00045518 -0.00012421
-0.00964289 0.02490056 0.03188869
-8.01473388 -5.99088518 18.44940496
-0.00083366 0.00041210 -0.00012462
-0.00865634 -0.02256445 0.01503341
-23.45018434 -3.48936214 -23.56257338
-0.00063410 0.00012311 -0.00054430
-0.00114601 -0.01545358 0.01942866
-23.01170970 -5.04287766 -20.93580687
-0.00005607 -0.00045271 -0.00045826
0.00094284 0.01676610 0.00401941
6.93164522 13.24580129 4.30363837
0.00114943 -0.00010645 -0.00031704
-0.00261326 0.00318914 0.00165290
8.20159690 11.91292607 6.47142372
-0.00050254 0.00069303 -0.00035186
-0.00890691 0.00029825 0.00419994
24.90708195 28.79849993 -2.26912480
0.00015065 0.00076592 -0.00019437
-0.00405398 0.01639986 -0.00781768
24.11878187 31.56694278 -1.67728590
0.00025362 -0.00031446 -0.00000133
-0.01354149 0.01711033 0.02028154
9.23954453 -2.14426237 -15.22470941
-0.00053404 0.00043833 -0.00118667
0.00875489 0.00037693 -0.01032114
7.99652726 -1.82117074 -12.83371753
-0.00024003 -0.00184188 -0.00027771
-0.01214852 0.01748016 -0.02431582
-7.75844879 -0.15462885 15.96307308
-0.00046727 -0.00062366 -0.00099403
0.01948414 0.01028592 -0.00602571
-8.73331134 -2.00544813 14.30376780
-0.00035419 0.00047163 0.00126131
-0.02022071 -0.03119195 -0.01220455
-2.56130492 -26.68943701 12.87542892
0.00063644 -0.00037138 0.00051496
0.01065154 -0.00131606 0.00033393
-3.10213460 -25.91645724 10.15158664
0.00045474 -0.00005293 -0.00030955
-0.01677483 0.00435618 -0.02417797
-14.69659806 -2.92182783 -6.25476422
-0.00033732 -0.00017765 -0.00018615
0.00485776 0.01033573 -0.00051254
-14.68763079 -4.67972750 -8.70756217
0.00060082 -0.00024551 -0.00002834
0.00101307 0.00415544 0.00503059
-19.29644592 -11.22853329 -16.97810182
-0.00009738 0.00017905 -0.00029327
0.01152574 0.05780621 0.03412429
-18.33489365 -13.32015508 -18.12890269
0.00065559 0.00071790 0.00066948
-0.01147641 -0.02003938 -0.00591803
24.12438771 3.57137012 1.70413738
0.00057025 0.00116177 0.00067400
-0.02233987 -0.01292382 0.00202473
22.95334862 5.16239398 3.81960408
0.00037471 0.00018832 -0.00027758
-0.00667050 -0.00285747 0.00669284
16.34557667 -10.04948431 -13.29331377
0.00037233 0.00002513 0.00057144
-0.04704163 0.01549702 0.04026319
17.02796227 -10.09786309 -16.03913826
-0.00009677 -0.00034845 -0.00075600
-0.00227941 0.00785498 -0.01503974
-0.42977112 2.14052439 -7.98994088
0.00016120 -0.00056541 0.00053720
0.00024282 -0.00600763 0.00309903
-2.26221392 0.01756701 -7.10541292
-0.00021457 -0.00038762 0.00109196
-0.00064970 -0.01317147 -0.01290779
-5.47121648 -3.85055967 -16.69062135
0.00042776 -0.00140946 -0.00026875
-0.01295452 -0.00897732 -0.01341380
-3.71895849 -1.57278748 -16.62330574
-0.00102184 0.00018966 0.00000260
-0.00206317 -0.00516126 -0.00419985
12.55750793 18.83000980 -20.53978393
-0.00086186 -0.00030207 0.00066226
0.00195742 0.01605673 -0.00646401
11.88450187 16.18900481 -20.14260648
-0.00014649 0.00009726 -0.00025646
0.02113460 0.00164285 0.00142156
-15.28701041 15.69782145 -13.76629916
-0.00081611 0.00028728 0.00094369
-0.01308727 0.00123791 0.02317541
-17.56077046 15.09815928 -12.12449745
0.00104889 -0.00012332 0.00017171
-0.02316712 -0.01697852 -0.00605302
2.56524260 15.01696445 5.82354698
-0.00099064 0.00045758 -0.00056397
-0.00833696 -0.00001985 0.01728925
0.64935714 15.81790029 8.11270123
0.00075400 -0.00017630 -0.00141310
0.01595445 -0.01487962 -0.01326344
-5.87629262 -8.27175832 1.30472081
0.00001317 0.00124288 0.00001247
-0.01567024 0.03219778 -0.01567562
-3.56613544 -9.86319418 1.74275509
-0.00030770 -0.00130847 0.00049357
-0.00704542 0.00058532 0.00310967
2.65933570 -4.84436232 2.89858801
0.00120659 0.00135594 0.00012908
-0.01082646 0.07999714 0.00948497
4.47853830 -6.61332446 1.45779836
-0.00005687 -0.00023754 0.00055187
0.00286655 0.00258503 0.00312417
9.30693668 5.71306245 3.97321735
0.00041253 0.00013598 -0.00121474
-0.02743151 0.01773013 -0.01191259
12.06270693 6.33961776 4.73240156
-0.00015471 0.00018625 -0.00010343
-0.00309470 -0.00684369 -0.00126914
-7.32438479 -10.92558925 -2.56184469
0.00070503 -0.00050545 0.00009357
0.00443922 -0.01245867 0.01192558
-9.64584354 -9.28367056 -1.51454686
0.00047166 -0.00033646 0.00014529
-0.01060293 -0.00558484 0.02293687
4.58128089 -16.47861841 -14.28185947
-0.00058404 0.00103730 -0.00024753
-0.03058875 0.02138793 0.00895006
3.80769119 -17.02907941 -11.79548144
-0.00033811 0.00041081 -0.00129580
-0.02700810 0.00941408 0.00534793
5.70370731 -6.87997118 -6.00791781
0.00009685 0.00062165 -0.00077183
0.00236949 0.00101376 -0.00767108
4.99940410 -8.15713634 -3.65028915
-0.00028148 -0.00023074 -0.00037914
-0.00331271 -0.00898377 0.00167293
16.85777044 1.69438730 24.70105579
0.00058229 0.00126041 0.00022998
-0.00058162 -0.00033428 -0.00344098
19.74453132 2.37474726 24.48917398
-0.00058116 0.00055612 -0.00089350
0.00109827 0.00217855 0.00791006
-9.77719839 3.90156571 2.34994527
-0.00025876 0.00113155 0.00006670
-0.00167298 -0.01775285 -0.00475461
-7.43274010 4.54835515 0.94385097
0.00084225 -0.00075234 0.00026597
0.00909272 0.00416685 -0.00752473
-6.34852890 14.20900439 -9.11166131
0.00089970 -0.00046722 0.00083299
-0.00536391 0.00507591 -0.00836389
-9.09147886 13.72367526 -9.51341058
0.00012308 -0.00038746 0.00003115
-0.04599975 -0.01529611 0.02533019
0.37565996 10.91351159 -7.83878728
0.00089888 -0.00011059 0.00080218
-0.00738974 -0.00912762 -0.01119350
2.63216877 12.32714161 -7.70343547
0.00086663 -0.00040080 0.00098553
0.02050394 0.01105143 -0.00055633
-10.22209494 9.11016865 -13.78636722
-0.00014536 0.00058449 0.00010917
0.02129293 -0.01825722 0.00738518
-12.59413117 9.92602290 -12.41858351
-0.00007384 -0.00033143 -0.00021081
-0.03363082 -0.01392511 0.06240884
7.30423413 6.21039992 14.80523834
0.00031731 0.00078789 -0.00180864
-0.00297334 0.01621467 0.01019950
7.26240728 4.37502745 12.88097291
0.00046885 0.00079458 0.00033682
-0.00096891 -0.01833447 0.01031464
-13.72922476 10.55534790 -8.53133573
0.00068497 -0.00018769 0.00000915
-0.00066354 0.01168481 0.00870210
-16.18540078 9.88753435 -9.91170004
-0.00001825 -0.00018900 -0.00020567
-0.03614637 0.01200793 -0.01328220
8.29622854 9.93850783 -2.37423253
-0.00086612 0.00069224 -0.00058969
0.00604592 -0.01738832 -0.00214353
7.45969485 8.50530689 -4.70005474
0.00131593 0.00006592 0.00009812
0.02066838 -0.00959348 0.03882349
12.10797250 -20.15607765 -26.43538266
0.00022555 0.00050344 0.00088871
-0.01985705 0.00317888 -0.00808589
13.69949612 -20.09252161 -24.07204309
0.00036870 -0.00101638 0.00008287
-0.00020123 0.00209364 0.01530337
5.82427758 4.90083344 2.43346420
0.00081315 0.00096680 -0.00146920
-0.00783198 -0.03940192 -0.00531649
6.39670682 7.29730751 0.84699123
0.00031525 -0.00037125 -0.00030288
0.00184651 -0.01057074 0.01670607
20.43311055 -6.42444582 -5.77269390
-0.00013413 0.00017163 -0.00007553
0.02918593 -0.01517822 0.02180521
17.71698197 -5.27452070 -5.40381267
0.00002481 0.00003900 -0.00052247
0.01922355 -0.00241438 -0.02074717
-2.59766619 0.41598617 -1.03783293
0.00114956 0.00029922 0.00065332
0.01532446 -0.01256759 -0.03007458
-2.50860379 0.95445345 -3.98955456
0.00011525 0.00009695 -0.00058283
0.01095889 0.00483631 -0.00242287
3.60414411 -3.25145590 -12.18507065
0.00059178 -0.00033693 -0.00016580
-0.01709494 0.02069286 0.00088557
0.79880994 -2.56195942 -11.59447693
0.00050994 -0.00084945 -0.00023430
-0.04204938 -0.01953997 0.01943281
19.31317220 8.45039791 -6.50743734
-0.00098992 0.00020371 0.00017371
-0.01408515 -0.03340293 -0.04176196
21.84047460 8.59712383 -4.81374640
-0.00129566 0.00030682 -0.00070566
-0.01388667 -0.00060858 -0.00664446
-7.37668076 4.63618483 8.94711690
0.00062359 -0.00021916 0.00041619
0.00217510 0.00187409 0.00690830
-7.68662030 6.26561769 11.30163870
-0.00071018 0.00025088 -0.00108357
-0.00271116 0.00120820 0.00105631
-3.19304897 -16.28727733 11.25098421
-0.00024052 0.00068462 -0.00100802
0.01198168 -0.00229669 -0.00175907
-4.15819190 -13.74123100 11.60503759
-0.00015880 -0.00063707 -0.00058974
-0.01112251 0.01268644 -0.00132716
8.49708057 0.55540673 -3.23251182
0.00039752 0.00004496 -0.00055110
0.00711187 0.00275799 0.04063205
7.82703280 2.00658787 -5.75031260
0.00019489 -0.00122892 -0.00039839
0.00202834 -0.02890281 0.01290555
1.11229945 -10.71339392 1.64324479
-0.00109774 -0.00034036 0.00021054
-0.01207112 -0.00549715 0.00041940
0.08531555 -8.39574418 0.34253230
-0.00018817 0.00002922 -0.00014131
-0.00035616 0.00059229 -0.01212363
-20.18600097 -1.41198936 6.65659249
-0.00034736 -0.00048312 0.00043981
0.00282952 0.00021890 -0.00954277
-21.30059476 0.29801248 4.44679752
-0.00024484 -0.00012598 0.00015058
0.02597759 -0.03078383 0.00450096
-3.82289417 8.34193585 -25.29187296
0.00018713 -0.00027394 -0.00126322
-0.00464413 -0.00043471 0.04133803
-4.53345375 8.96655184 -22.28799610
-0.00036541 -0.00091516 0.00054495
0.00513180 -0.01548022 -0.02641228
3.95862070 1.17759274 -0.90761605
0.00103895 0.00114383 0.00009832
0.02692641 -0.00769508 0.00322806
1.28964001 1.04485772 -1.74565653
0.00011388 -0.00014528 0.00098628
-0.00654907 0.02052553 -0.00190459
15.80781831 7.62924858 6.39577992
-0.00068157 0.00051010 -0.00102423
0.00012595 -0.00546448 -0.00388119
15.86802230 8.97096820 3.93951320
0.00018630 -0.00047239 0.00022070
0.01124778 0.05822071 -0.03128252
-0.31925990 -11.81938871 -13.22541644
0.00013270 -0.00001076 0.00022662
0.01112873 0.00060724 -0.00116293
-13.94292698 14.46367144 22.21542585
-0.00002102 -0.00012935 0.00015250
-0.00065970 -0.00221306 0.00215274
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03124933
0.32098150
427.69176031
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1348837209
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4646331994 (a.u.)
total exchange computation time: 2.6629090309 s
-154.6661130788
-931.35245830
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1348837209
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4630729020 (a.u.)
total exchange computation time: 2.6611838341 s
-154.6791920343
Anderson extrapolation: theta=1.3424711498 (1.3424711498)
-931.35275814
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1348837209
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4608608880 (a.u.)
total exchange computation time: 2.6626331806 s
-154.6974722486
Anderson extrapolation: theta=0.0536865659 (0.0536865659)
-931.35293669
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1348837209
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4606560005 (a.u.)
total exchange computation time: 2.6616690159 s
-154.6990735118
Anderson extrapolation: theta=2.0106190891 (2.0000000000)
-931.35294419
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1348837209
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4602336608 (a.u.)
total exchange computation time: 2.6613969803 s
-154.7023719834
Anderson extrapolation: theta=0.2471938654 (0.2471938654)
-931.35295307
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1348837209
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4601370763 (a.u.)
total exchange computation time: 2.6623170376 s
-154.7031271847
Anderson extrapolation: theta=1.8270874362 (1.8270874362)
-931.35295510
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1348837209
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4599973094 (a.u.)
total exchange computation time: 2.6613788605 s
-154.7042139155
Anderson extrapolation: theta=0.2958976270 (0.2958976270)
-931.35295773
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1348837209
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4599915852 (a.u.)
total exchange computation time: 2.6617851257 s
-154.7042496653
Anderson extrapolation: theta=1.2605804107 (1.2605804107)
-931.35295840
-164.131883 50.118133 -204.445145
-132.970446 460.524971 -800.816650
-297.102329 510.643104 -1005.261795
1166.009198
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561046512
ExchangeOperator: pair fraction: ispin=0: 0.1348837209
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4600101418 (a.u.)
total exchange computation time: 2.6981699467 s
680.18456828
-1086.76254938
89.78864038
-387.04327984
-175.06032824
79.98617389
551.60419304
0.00000000
-931.35295894
-10.91497536 -4.27681131 6.66804540
0.00011823 -0.00011714 -0.00008205
0.01694352 -0.01387777 0.04528569
-13.94618022 3.63334747 9.28035009
0.00023894 0.00028478 -0.00017818
-0.02718810 0.00278005 0.02142856
-15.94909159 1.40636081 3.42833227
-0.00004289 0.00019120 0.00009214
0.01294037 0.02688774 0.01631386
2.60479443 -19.83360979 12.82685964
0.00023367 -0.00005895 -0.00003009
-0.02545238 -0.02661131 -0.05716222
9.59186538 20.36044701 1.20052708
-0.00016695 -0.00002528 0.00040218
0.00633627 0.02376943 -0.00168917
-12.09532824 12.56110317 15.19573270
-0.00011773 -0.00007632 0.00012771
0.00883039 -0.00939184 -0.02662002
-6.21183111 1.44760929 -12.43139560
0.00018110 -0.00014363 -0.00036941
0.00001708 -0.04076288 0.03495922
-7.42744515 7.75849283 -6.00170637
-0.00003555 -0.00017454 -0.00022735
0.00308650 0.01140974 -0.02432875
-7.76065660 -4.34534150 17.81444765
-0.00011701 -0.00009163 0.00003026
0.02054860 -0.01104231 -0.03966402
-23.56118352 -5.14166494 -22.65320911
-0.00017149 -0.00035723 -0.00017477
-0.00686711 0.00817106 -0.02917168
6.59867544 12.76316910 6.05125316
0.00000147 -0.00006382 0.00002717
0.01545201 -0.00147704 -0.01745298
24.76537612 30.52068720 -2.96778808
0.00014832 0.00013844 -0.00016981
0.01033146 -0.03180779 -0.01698196
7.92069113 -1.02283908 -14.55365771
0.00001977 0.00040987 -0.00001221
-0.00315956 -0.01866218 0.04907719
-7.34818996 -0.90693190 14.30944955
-0.00019586 0.00017299 -0.00026203
0.00760230 0.02171371 -0.00195146
-1.74016405 -26.19908260 11.25944093
0.00018223 0.00010553 -0.00021388
0.00395564 -0.00843790 0.01882173
-14.04220330 -4.45968080 -6.98843541
0.00015099 0.00022427 0.00007824
-0.00368166 -0.02079081 -0.01253112
-20.00851087 -12.63956362 -17.69707699
0.00003424 -0.00016939 0.00016469
0.00438149 -0.03535404 -0.02581755
22.76182338 3.53188727 3.00571057
0.00008127 -0.00022243 0.00002265
0.01939006 0.02420591 0.00226716
17.67248705 -10.30200508 -14.37075000
-0.00022187 -0.00035084 -0.00000348
0.04903018 -0.01484016 -0.03031494
-1.97491080 1.78649717 -7.02678323
0.00026816 -0.00014490 -0.00003477
-0.00942329 0.01755821 -0.00734566
-4.29268625 -3.02079668 -15.63835951
-0.00022386 0.00014540 -0.00005128
0.01287724 0.01270178 0.01062486
13.39497901 17.30802026 -19.95897951
0.00016350 0.00015650 0.00034375
-0.01752638 -0.02041903 -0.00494978
-16.07811404 16.09912215 -12.09664833
0.00057310 0.00013198 -0.00003716
0.03584583 0.02286320 -0.00196385
1.96913516 14.60183648 7.55948708
0.00047272 0.00033052 0.00017811
-0.01763135 0.00601775 -0.00314981
-5.36144402 -9.67703812 2.24342866
-0.00002218 -0.00026902 0.00025249
0.02501946 -0.02550449 0.01082253
3.07176104 -6.48657814 2.64509926
-0.00004416 -0.00045236 0.00024024
0.00587464 -0.05535640 -0.00674425
10.85479791 4.96000722 4.41715511
-0.00005245 0.00023517 -0.00005795
0.02644155 0.00211149 0.02204000
-8.52993596 -9.62000275 -2.86873937
-0.00010583 0.00037610 -0.00052603
0.00928226 0.00921163 -0.03201427
3.14380987 -15.93840449 -13.14838950
0.00022688 -0.00009375 0.00024208
0.04352129 -0.01783232 -0.02062246
4.78985421 -8.37378553 -5.44592646
-0.00012576 0.00021327 0.00059801
0.00051778 0.01315238 -0.00246921
18.55213090 0.98262655 24.66345452
-0.00003704 0.00007064 -0.00019116
-0.00381482 -0.00376768 -0.00439307
-8.52060525 3.10441364 1.16869196
-0.00038655 -0.00003456 0.00011842
0.00692762 0.00751662 0.00109841
-7.66961422 14.21943424 -10.39410289
0.00030189 -0.00000336 0.00023458
0.05454358 0.00893228 -0.01237538
1.71066510 11.42720836 -8.99699589
-0.00009530 0.00007305 -0.00012139
-0.00886247 0.00370044 0.01522305
-11.68225574 10.11390801 -13.86032589
0.00028949 0.00020291 -0.00012532
0.00723364 0.02990914 -0.06484461
6.91766441 4.44099336 14.72713349
-0.00046600 0.00010578 0.00007625
0.01149231 -0.00000808 -0.02595761
-14.83387529 9.17217708 -9.04630908
-0.00035049 -0.00029989 0.00029096
0.03277897 -0.02123987 0.00557705
8.49664701 8.21312936 -3.09141238
-0.00009083 -0.00021464 -0.00011446
-0.02443324 0.03817877 -0.02671888
13.77285533 -20.45179241 -25.87110351
0.00010400 -0.00006923 -0.00029792
0.01855594 -0.00370687 -0.00297304
6.21760820 6.62338820 2.58000643
-0.00028032 0.00021137 -0.00004243
0.01129945 0.05456517 -0.01638395
19.05595649 -5.79149172 -6.66556622
-0.00039650 -0.00004468 -0.00014959
-0.05105677 0.01534073 0.00466989
-1.67422703 -0.04235600 -2.68120236
0.00000357 -0.00023237 -0.00002040
-0.02228092 0.00080850 0.05605913
2.32787663 -1.83580812 -12.11120977
-0.00007232 0.00023957 0.00031290
0.07936045 -0.00404803 -0.02833596
20.18472050 9.35690596 -5.31850495
-0.00044419 -0.00000100 -0.00010716
0.02881209 0.03419266 0.03841663
-7.55670447 6.41166692 9.49197182
-0.00024954 -0.00014294 0.00026715
-0.00441928 -0.00527218 -0.01092850
-2.56876585 -14.57241542 11.45081693
0.00020901 0.00003575 -0.00010546
-0.00317383 -0.01220006 0.00697017
8.12392096 0.26244588 -4.91662584
-0.00001921 -0.00013146 0.00014321
-0.01287412 0.02075761 -0.05416694
-0.11898993 -10.22063041 0.34199795
-0.00011235 -0.00034064 -0.00023143
0.00497097 -0.00003667 0.00930294
-20.19415847 -1.25666496 4.77866109
-0.00023920 0.00038261 -0.00000333
-0.02314184 0.02687944 0.00752434
-4.57904061 7.66342287 -23.62911173
0.00014434 0.00026594 -0.00006307
-0.00098534 0.01287015 -0.00567939
2.58058552 2.27392626 -1.12651921
0.00006222 -0.00038012 0.00027745
-0.00906295 -0.00421107 -0.01413953
15.51262173 7.41211314 4.58514639
-0.00005706 -0.00024324 -0.00010560
-0.01508168 -0.05090349 0.02660182
-9.54365138 -4.66408818 7.92181901
-0.00079135 0.00019963 0.00105102
-0.02546321 0.00797518 -0.02428689
-10.12482088 -3.99073342 5.06523962
0.00065903 -0.00114475 0.00007304
0.01497914 -0.00523349 -0.01243677
-12.81300543 4.75404390 8.48987305
0.00044974 -0.00005389 -0.00063389
0.01826587 0.00562189 -0.01346287
-13.81766833 1.92151338 8.60632914
-0.00047484 -0.00031497 -0.00033858
0.00886276 -0.00506163 -0.00506165
-15.40906524 2.11985634 5.08198186
-0.00065843 0.00032784 -0.00089660
-0.00223690 -0.01487064 -0.02192266
-17.36213085 0.34421290 3.93661384
0.00008512 0.00123762 -0.00073594
-0.01115940 -0.00956634 0.00238651
3.18451087 -21.34151464 11.78684119
-0.00013875 -0.00020130 0.00046909
-0.01743752 0.02057734 0.02057738
3.66838625 -19.58397642 14.17602487
0.00074806 0.00124315 -0.00003159
0.03640866 0.00781701 0.03804666
8.80547168 18.71589010 1.12510804
0.00074769 -0.00029563 -0.00026562
-0.01493527 0.00432757 0.00147512
8.58869125 21.74239737 2.03192592
0.00044802 0.00039469 0.00030120
0.00157086 -0.02747495 -0.00501089
-11.21149150 11.69852780 16.49947267
-0.00099750 0.00044397 0.00022563
0.01067575 0.00345813 0.01708031
-12.57142421 14.19121072 15.77451860
0.00001235 0.00015947 0.00017006
-0.00547847 0.01852134 0.00876816
-5.16452662 0.13762148 -13.25221498
0.00019281 0.00018370 -0.00007624
-0.01461944 0.01627334 0.00448770
-6.70337159 0.51498278 -10.72039244
0.00016643 -0.00022154 -0.00004264
0.00980594 0.02826194 -0.03621550
-6.88074512 6.34918955 -5.05068643
-0.00042330 0.00025354 -0.00036172
0.00542571 -0.01830383 0.01298589
-9.10352725 8.03642219 -5.41580284
-0.00012720 0.00028366 0.00020875
-0.01223417 0.00121530 0.00549880
-8.16514415 -3.14718766 19.02501471
0.00088367 0.00055544 0.00000482
-0.00915382 0.02417558 0.03127436
-8.02750402 -5.98539519 18.44799628
-0.00086998 0.00031425 -0.00006053
-0.00912145 -0.02532953 0.01634280
-23.45973088 -3.48798907 -23.57014253
-0.00063869 0.00005479 -0.00046164
-0.00110347 -0.01798744 0.02103194
-23.01252187 -5.04915447 -20.94255757
-0.00005062 -0.00038351 -0.00043781
0.00172404 0.01710684 0.00598880
6.94880661 13.24430225 4.29893339
0.00113540 -0.00009430 -0.00030402
-0.00425458 0.00275796 0.00471959
8.19378585 11.92333062 6.46627459
-0.00052904 0.00068826 -0.00033008
-0.00406254 -0.00263193 0.00645741
24.90921740 28.81049132 -2.27227988
0.00013513 0.00082425 -0.00022410
-0.00353893 0.01215320 -0.00673669
24.12217127 31.56275022 -1.67668435
0.00019739 -0.00024239 0.00008264
-0.01398629 0.01816728 0.02082122
9.23180213 -2.13767590 -15.24282571
-0.00049842 0.00044083 -0.00122792
0.00868433 0.00084967 -0.00987123
7.99255449 -1.84826336 -12.83862824
-0.00028925 -0.00176557 -0.00038375
-0.01194436 0.01987599 -0.02759189
-7.76486072 -0.16366859 15.94797804
-0.00038768 -0.00057311 -0.00100661
0.01947480 0.01446105 -0.00013469
-8.73924381 -1.99932947 14.32231348
-0.00043713 0.00034183 0.00120844
-0.02037884 -0.03234837 -0.01367547
-2.55143198 -26.69504811 12.88316357
0.00068099 -0.00037456 0.00050934
0.01115971 -0.00023927 -0.00308553
-3.09582748 -25.91711772 10.14620245
0.00038397 -0.00003517 -0.00040842
-0.01786709 0.00433613 -0.02421747
-14.70150904 -2.92417588 -6.25757210
-0.00031896 -0.00013194 -0.00018671
0.00412881 0.01204119 0.00023519
-14.67858739 -4.68328277 -8.70783310
0.00060489 -0.00022788 -0.00000782
0.00097739 0.00447217 0.00501401
-19.29755349 -11.22407620 -16.98145521
-0.00005297 0.00041371 -0.00015535
0.01021451 0.05706052 0.03339009
-18.32541150 -13.31000067 -18.11904183
0.00060677 0.00063536 0.00064489
-0.01241931 -0.02036608 -0.00611844
24.13225683 3.58840062 1.71430945
0.00047891 0.00110608 0.00068086
-0.02237112 -0.01433614 0.00133412
22.95876483 5.16513125 3.81564542
0.00034521 0.00017328 -0.00025011
-0.00776754 -0.00450525 0.00675542
16.34972013 -10.04863249 -13.28350843
0.00018084 0.00008899 0.00073362
-0.04669389 0.01576089 0.03912621
17.02644091 -10.10284915 -16.05093909
-0.00010360 -0.00031702 -0.00080567
-0.00106507 0.00753015 -0.00927752
-0.42734563 2.13185915 -7.98178793
0.00016790 -0.00058931 0.00054618
0.00303428 -0.00569084 0.00129630
-2.26545237 0.01134917 -7.08942909
-0.00021557 -0.00043631 0.00103840
0.00015945 -0.01066480 -0.01330831
-5.46519712 -3.87197666 -16.69506368
0.00038070 -0.00144184 -0.00031873
-0.01008104 -0.00687513 -0.01105129
-3.73434929 -1.57010073 -16.62339545
-0.00102939 0.00017085 -0.00001670
-0.00163092 -0.00404897 -0.00524960
12.54464007 18.82597079 -20.53004816
-0.00085252 -0.00023410 0.00063578
0.00261364 0.01721511 -0.00649546
11.88295217 16.19051403 -20.14640979
-0.00005672 0.00010415 -0.00024966
0.02280986 0.00173258 0.00190445
-15.29965312 15.70216860 -13.75143358
-0.00085923 0.00028960 0.00102122
-0.00802048 -0.00010460 0.01477329
-17.54574708 15.09578923 -12.12210726
0.00095022 -0.00019426 0.00014878
-0.02513194 -0.01774652 -0.00516977
2.55012747 15.02382748 5.81561723
-0.00102253 0.00045450 -0.00049135
-0.00727331 -0.00148523 0.01826019
0.66115599 15.81479983 8.09109833
0.00080879 -0.00022906 -0.00146002
0.01086712 -0.01094488 -0.00970381
-5.87657523 -8.25212847 1.30442750
-0.00004123 0.00135325 -0.00003770
-0.01095893 0.02183061 -0.00888296
-3.57096687 -9.88280336 1.75025393
-0.00033391 -0.00130448 0.00050415
-0.00578262 0.00137093 0.00207172
2.67710280 -4.82157185 2.90081481
0.00117068 0.00164885 0.00016342
-0.00675019 0.06338223 0.00732674
4.47777311 -6.61680831 1.46617209
-0.00004224 -0.00022905 0.00056231
0.00429645 0.00157075 0.00198675
9.31228404 5.71564540 3.95463125
0.00029895 0.00020909 -0.00126343
-0.02816859 0.01805814 -0.01192451
12.06029146 6.34220177 4.73081123
-0.00016645 0.00015948 -0.00010802
-0.00265348 -0.00625762 -0.00097946
-7.31367329 -10.93355273 -2.56007576
0.00070939 -0.00054055 0.00013737
-0.00230363 -0.00472252 0.00951532
-9.63909353 -9.28888858 -1.51166463
0.00042839 -0.00035872 0.00023812
-0.01057621 -0.00531470 0.02250464
4.57158303 -16.46240352 -14.28529823
-0.00070299 0.00112207 -0.00021500
-0.02763905 0.02010916 0.00697680
3.80179190 -17.02262872 -11.81475462
-0.00044007 0.00043563 -0.00125678
-0.02290145 0.00273504 0.01375318
5.70523268 -6.87061539 -6.01973037
0.00010045 0.00061556 -0.00079656
-0.00060855 -0.00399294 -0.00443091
4.99508042 -8.16087275 -3.65592506
-0.00029254 -0.00026401 -0.00035702
-0.00210338 -0.00730221 0.00915663
16.86648702 1.71328328 24.70440007
0.00057695 0.00125674 0.00021621
-0.00203199 -0.00146425 -0.00329871
19.73584754 2.38315576 24.47601381
-0.00057523 0.00056246 -0.00086058
0.00180590 0.00092598 0.00820507
-9.78113111 3.91799493 2.35080011
-0.00026325 0.00105701 0.00004539
-0.00052450 -0.01873211 -0.00567662
-7.41982776 4.53719780 0.94760996
0.00087702 -0.00073737 0.00023524
0.00792870 0.00315909 -0.00751774
-6.33519778 14.20215160 -9.09942282
0.00086862 -0.00044632 0.00079090
-0.00985051 0.00515424 -0.01223671
-9.09104222 13.71739458 -9.51216712
-0.00005997 -0.00044872 0.00013235
-0.04360306 -0.01469124 0.02420829
0.38891671 10.91157298 -7.82709755
0.00086653 -0.00014851 0.00075587
-0.00844356 -0.00943045 -0.01147876
2.64579651 12.32146826 -7.68866962
0.00094329 -0.00036252 0.00097183
0.01702013 0.00768637 -0.00614836
-10.22362285 9.11837649 -13.78450335
-0.00005031 0.00050452 0.00013955
0.02523505 -0.02088625 0.00748392
-12.59626936 9.92062472 -12.41983332
-0.00020793 -0.00038791 0.00003733
-0.03200752 -0.01372109 0.05906167
7.30890260 6.22271512 14.77842124
0.00030170 0.00084505 -0.00176400
-0.00466769 0.01176493 0.01165167
7.26941041 4.38638431 12.88634133
0.00046376 0.00071552 0.00037558
-0.00152283 -0.02036777 0.00865667
-13.71897056 10.55289064 -8.53093185
0.00067627 -0.00014622 0.00004189
-0.00359455 0.00861498 0.00732716
-16.18678213 9.88506731 -9.91519203
-0.00016403 -0.00014053 -0.00025904
-0.03521726 0.01171988 -0.01284500
8.28342199 9.94835853 -2.38314359
-0.00083944 0.00061269 -0.00059979
0.00701539 -0.02155048 -0.00279860
7.48006721 8.50600171 -4.69739330
0.00139379 0.00002550 0.00024737
0.01744172 -0.01019058 0.03423491
12.11074721 -20.14842858 -26.42229985
0.00013856 0.00051772 0.00085291
-0.02272317 0.00380904 -0.00943750
13.70502051 -20.10770316 -24.07033109
0.00036877 -0.00100809 0.00014228
0.00023141 0.00196573 0.01377734
5.83623487 4.91412806 2.41126325
0.00077787 0.00079097 -0.00148996
-0.00943951 -0.04666953 -0.00484369
6.40149210 7.29141478 0.84295997
0.00032288 -0.00041128 -0.00023364
0.00189033 -0.00902390 0.01718481
20.43199293 -6.42233652 -5.77315862
-0.00001857 0.00011145 0.00001122
0.02738444 -0.01427644 0.02065615
17.71794312 -5.27400974 -5.41228544
0.00009856 0.00003063 -0.00060288
0.01687890 -0.00167968 -0.01861424
-2.57995325 0.42008941 -1.02895469
0.00121032 0.00024770 0.00052783
0.01441756 -0.01265270 -0.03135554
-2.50653927 0.95605587 -3.99837128
0.00016270 0.00011379 -0.00058627
0.01226902 0.00340842 0.00073977
3.61249693 -3.25587579 -12.18753057
0.00051599 -0.00024473 -0.00016171
-0.02000330 0.02443914 0.00111795
0.80517046 -2.57529994 -11.59739600
0.00033500 -0.00093013 -0.00015418
-0.04358311 -0.01995317 0.01978611
19.29789171 8.45243000 -6.50611143
-0.00104675 0.00006839 0.00000361
-0.01372941 -0.03283796 -0.04150391
21.82061411 8.60170742 -4.82453491
-0.00134148 0.00029874 -0.00072942
-0.00853864 -0.00334675 -0.00498504
-7.36726024 4.63295482 8.95357139
0.00063211 -0.00021029 0.00044444
0.00199498 0.00247012 0.00692168
-7.69735606 6.26941792 11.28541749
-0.00072312 0.00025418 -0.00105742
-0.00362530 0.00040849 0.01174526
-3.19628956 -16.27707836 11.23580997
-0.00019153 0.00066853 -0.00101585
0.01199587 -0.00557959 -0.00207513
-4.16091475 -13.75039830 11.59615084
-0.00020400 -0.00058307 -0.00059497
-0.01100096 0.01374516 -0.00123384
8.50326128 0.55616558 -3.23953324
0.00042893 0.00005852 -0.00037608
0.00826573 0.00388197 0.04503917
7.83001837 1.98726838 -5.75589295
0.00020229 -0.00134004 -0.00034710
0.00159206 -0.02549291 0.01219962
1.09546352 -10.71866774 1.64641574
-0.00114317 -0.00036380 0.00021494
-0.01016976 -0.00597840 0.00173330
0.08248203 -8.39528776 0.34004118
-0.00019012 0.00002611 -0.00019069
-0.00059864 -0.00211188 -0.01205017
-20.19112463 -1.41922938 6.66289721
-0.00033594 -0.00048046 0.00039490
0.00275964 0.00108223 -0.01243923
-21.30347128 0.29517949 4.44919410
-0.00014139 -0.00024807 0.00016863
0.02466257 -0.02897956 0.00433643
-3.82022947 8.33781346 -25.30955453
0.00016651 -0.00027498 -0.00108654
-0.00545252 -0.00007448 0.04514733
-4.53877763 8.95235004 -22.28063126
-0.00034306 -0.00097265 0.00043901
0.00581036 -0.01265919 -0.02544364
3.97503007 1.19451433 -0.90604236
0.00114900 0.00110999 0.00011070
0.02694539 -0.00886599 0.00283114
1.29114750 1.04330746 -1.73092076
0.00008662 -0.00006600 0.00097675
-0.00679229 0.01828323 -0.00275727
15.79759864 7.63673269 6.38029755
-0.00067907 0.00048749 -0.00102604
0.00109784 -0.00560745 0.00299699
15.87116148 8.96566646 3.94186517
0.00023284 -0.00023147 0.00008990
0.01153269 0.05970824 -0.03274752
-0.31723953 -11.81954849 -13.22202028
0.00013667 -0.00001053 0.00022621
0.01104617 0.00066767 -0.00113107
-13.94324342 14.46172727 22.21771703
-0.00002114 -0.00012986 0.00015301
-0.00042178 -0.00214984 0.00226308
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03110138
0.32185756
428.85906169
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1343212547
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4654542322 (a.u.)
total exchange computation time: 2.7553830147 s
-154.6754667200
-931.35409809
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1343212547
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4638758678 (a.u.)
total exchange computation time: 2.7579050064 s
-154.6886270232
Anderson extrapolation: theta=1.3520977619 (1.3520977619)
-931.35438814
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1343212547
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4616150321 (a.u.)
total exchange computation time: 2.7544281483 s
-154.7071621012
Anderson extrapolation: theta=0.0568628646 (0.0568628646)
-931.35456342
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1343212547
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4613952571 (a.u.)
total exchange computation time: 2.7529149055 s
-154.7088300113
Anderson extrapolation: theta=2.1106223943 (2.0000000000)
-931.35457157
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1343212547
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4609442094 (a.u.)
total exchange computation time: 2.7568581104 s
-154.7122336070
Anderson extrapolation: theta=0.3100936643 (0.3100936643)
-931.35458188
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1343212547
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4608191527 (a.u.)
total exchange computation time: 2.7563948631 s
-154.7131656313
Anderson extrapolation: theta=1.5184636833 (1.5184636833)
-931.35458458
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1343212547
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4606747847 (a.u.)
total exchange computation time: 2.7567350864 s
-154.7142236899
Anderson extrapolation: theta=0.3769301532 (0.3769301532)
-931.35458754
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1343212547
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4606658686 (a.u.)
total exchange computation time: 2.7558290958 s
-154.7142670826
Anderson extrapolation: theta=1.0380146515 (1.0380146515)
-931.35458843
-164.132767 50.150214 -204.449223
-132.942398 460.561847 -800.882441
-297.075166 510.712061 -1005.331664
1166.092714
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1343212547
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4606913060 (a.u.)
total exchange computation time: 2.7561848164 s
680.18631397
-1086.77553202
89.79224950
-387.03431807
-175.06261110
79.99779223
551.60419304
0.00000000
-931.35458903
-10.91313661 -4.27862190 6.66698928
0.00012658 -0.00012419 -0.00005862
0.01554230 -0.01355765 0.04585761
-13.94270095 3.63762985 9.27776008
0.00022529 0.00028563 -0.00016764
-0.02592193 0.00054550 0.01956530
-15.94968507 1.40933260 3.42977725
-0.00003550 0.00020532 0.00009856
0.01582443 0.02800745 0.00866572
2.60820128 -19.83459662 12.82618786
0.00022118 -0.00007214 -0.00005787
-0.02310382 -0.02468698 -0.05087277
9.58938551 20.36015946 1.20655329
-0.00016313 -0.00001294 0.00040111
0.00852604 0.02423223 -0.00246799
-12.09706017 12.55992210 15.19754565
-0.00011392 -0.00008003 0.00011335
0.00598041 -0.00503890 -0.02922847
-6.20911452 1.44529767 -12.43680196
0.00018070 -0.00016420 -0.00035088
-0.00157719 -0.03922626 0.03709827
-7.42796655 7.75591871 -6.00521049
-0.00003499 -0.00016771 -0.00024019
-0.00089057 0.01514229 -0.02557937
-7.76233243 -4.34675857 17.81474853
-0.00010658 -0.00009624 0.00001011
0.01999299 -0.00686734 -0.03867172
-23.56378237 -5.14699185 -22.65594318
-0.00017518 -0.00035255 -0.00019050
-0.00746813 0.01000688 -0.03199513
6.59875709 12.76220613 6.05159339
0.00000845 -0.00006370 0.00001686
0.01170005 0.00192092 -0.02263354
24.76764082 30.52264115 -2.97040069
0.00015350 0.00012326 -0.00017879
0.00981480 -0.02721386 -0.01795031
7.92097543 -1.01676306 -14.55365151
0.00001822 0.00039948 0.00001347
-0.00286703 -0.02171031 0.05077916
-7.35109855 -0.90425331 14.30551161
-0.00019216 0.00018308 -0.00026426
0.00678402 0.01753857 -0.00674611
-1.73741533 -26.19753218 11.25630530
0.00018417 0.00010094 -0.00020352
0.00357576 -0.00941560 0.02147205
-14.03995264 -4.45639699 -6.98731010
0.00014925 0.00021310 0.00007168
-0.00310625 -0.02262831 -0.01300836
-20.00798037 -12.64224085 -17.69470628
0.00003722 -0.00018665 0.00015196
0.00721850 -0.03177657 -0.02368895
22.76311721 3.52864419 3.00605903
0.00009140 -0.00020914 0.00002408
0.02001964 0.02745579 0.00329035
17.66934806 -10.30732487 -14.37091907
-0.00019762 -0.00035832 -0.00001981
0.04526808 -0.01427808 -0.03319587
-1.97092471 1.78439133 -7.02733310
0.00026233 -0.00013677 -0.00003803
-0.01325026 0.01407074 -0.00533569
-4.29599453 -3.01856666 -15.63908768
-0.00021819 0.00015096 -0.00004624
0.00919863 0.00891177 0.00895233
13.39736386 17.31028904 -19.95384236
0.00015393 0.00014589 0.00034109
-0.01967550 -0.02083683 -0.00537544
-16.06937924 16.10119011 -12.09721323
0.00059034 0.00014418 -0.00003596
0.03118051 0.02455242 0.00661885
1.97615793 14.60681744 7.56214658
0.00046484 0.00033278 0.00017536
-0.01299947 0.00276652 -0.00753188
-5.36168014 -9.68117185 2.24725776
-0.00001089 -0.00027959 0.00025660
0.01888440 -0.01559524 0.00517230
3.07112134 -6.49357714 2.64867677
-0.00004266 -0.00047581 0.00023762
-0.00005019 -0.03580918 -0.00341081
10.85411309 4.96354297 4.41637084
-0.00003924 0.00023619 -0.00004674
0.02496011 0.00183905 0.02155890
-8.53148762 -9.61432567 -2.87675336
-0.00009960 0.00037890 -0.00054155
0.01496282 0.00165161 -0.02833035
3.14738095 -15.93987958 -13.14483786
0.00024722 -0.00010063 0.00022981
0.03558760 -0.00890206 -0.02710287
4.78796986 -8.37053575 -5.43696578
-0.00012510 0.00022081 0.00059390
0.00201717 0.01618263 -0.01352220
18.55156053 0.98367166 24.66057017
-0.00003882 0.00006928 -0.00019348
-0.00308223 -0.00151691 -0.00461042
-8.52637671 3.10392421 1.17047245
-0.00038286 -0.00003023 0.00011906
0.00741196 0.00931630 0.00139905
-7.66487553 14.21941824 -10.39063187
0.00032986 0.00000086 0.00022965
0.05424767 0.00750621 -0.00682702
1.70920141 11.42831834 -8.99875797
-0.00009866 0.00007590 -0.00011209
-0.00418873 0.00740493 0.02091630
-11.67788550 10.11706700 -13.86245580
0.00029158 0.00021865 -0.00015713
0.00088141 0.03128676 -0.05885813
6.91071877 4.44258000 14.72817710
-0.00045955 0.00010744 0.00006301
0.01360021 0.00646686 -0.02552349
-14.83900616 9.16759679 -9.04192310
-0.00033335 -0.00030974 0.00029382
0.03386081 -0.01704798 0.00553322
8.49519037 8.21005705 -3.09323239
-0.00010266 -0.00019406 -0.00012661
-0.02158993 0.04185005 -0.02052337
13.77448697 -20.45284522 -25.87558379
0.00011396 -0.00007117 -0.00029863
0.02017174 -0.00380284 0.00020161
6.21344696 6.62676926 2.57930680
-0.00027420 0.00024036 -0.00005102
0.01250852 0.05816331 -0.01702045
19.04981208 -5.79210280 -6.66779210
-0.00042116 -0.00003745 -0.00014740
-0.04484165 0.01278705 0.00384909
-1.67425948 -0.04583839 -2.68129205
-0.00000797 -0.00023161 0.00000786
-0.02256029 0.00211988 0.05382942
2.32709795 -1.83223025 -12.10662558
-0.00003104 0.00023653 0.00029825
0.08114774 -0.00776925 -0.02862399
20.17816886 9.35702291 -5.31996419
-0.00043136 0.00001681 -0.00008843
0.02104713 0.03503561 0.03443398
-7.56046464 6.40950255 9.49593685
-0.00025144 -0.00014561 0.00025871
-0.00295761 -0.00510920 -0.02186408
-2.56564290 -14.57192625 11.44926186
0.00020719 0.00003008 -0.00010179
-0.00392568 -0.00984254 0.00730645
8.12358310 0.26055400 -4.91468659
-0.00002589 -0.00012204 0.00011508
-0.01310524 0.01587323 -0.05523075
-0.12065596 -10.22574017 0.33856237
-0.00011020 -0.00033989 -0.00022704
0.00337516 0.00296670 0.00777896
-20.19783572 -1.25082209 4.77864019
-0.00025059 0.00039548 0.00000130
-0.02113823 0.02316323 0.01048786
-4.57687923 7.66746156 -23.63007964
0.00014381 0.00027164 -0.00006713
-0.00109067 0.00930083 -0.01012857
2.58148379 2.26820827 -1.12241197
0.00005800 -0.00038156 0.00027047
-0.00732363 -0.00140791 -0.01301169
15.51170763 7.40826821 4.58366502
-0.00006496 -0.00026905 -0.00009371
-0.01563063 -0.04947111 0.01963157
-9.55630194 -4.66084930 7.93684008
-0.00089396 0.00023209 0.00095074
-0.02476563 0.00791220 -0.02479938
-10.11447647 -4.00806508 5.06595409
0.00072134 -0.00116628 0.00002249
0.01552151 -0.00530361 -0.01230849
-12.80569967 4.75340788 8.47995210
0.00052217 -0.00003337 -0.00068775
0.01719268 0.00442112 -0.01290155
-13.82451934 1.91663375 8.60109538
-0.00043894 -0.00032875 -0.00035626
0.00871241 -0.00168615 -0.00359169
-15.41901021 2.12431832 5.06786106
-0.00066349 0.00027246 -0.00097385
-0.00023877 -0.01224224 -0.01589200
-17.36119595 0.36248399 3.92564780
0.00003026 0.00119108 -0.00072279
-0.01569893 -0.01321127 0.00405325
3.18189527 -21.34390364 11.79450809
-0.00020780 -0.00011938 0.00055167
-0.01636132 0.01952401 0.01984430
3.68072279 -19.56508957 14.17671694
0.00088928 0.00127366 0.00011254
0.03272290 0.00711582 0.03250333
8.81622937 18.71158822 1.12116898
0.00068395 -0.00027859 -0.00025887
-0.01626775 0.00401419 0.00182534
8.59545967 21.74747579 2.03629042
0.00045233 0.00028146 0.00028135
0.00053838 -0.02795376 -0.00470943
-11.22612687 11.70529331 16.50338053
-0.00094842 0.00045221 0.00030264
0.01334779 0.00057398 0.02061826
-12.57140680 14.19417030 15.77733816
-0.00000950 0.00023170 0.00020365
-0.00521810 0.01683649 0.00767468
-5.16208250 0.14087565 -13.25322110
0.00013603 0.00024646 -0.00006024
-0.01317236 0.01444760 0.00334768
-6.70057466 0.51252573 -10.72214174
0.00020664 -0.00010523 -0.00019242
0.00987611 0.02867047 -0.03710654
-6.88692844 6.35243177 -5.05571427
-0.00039828 0.00017148 -0.00030406
0.00682206 -0.02186546 0.01523873
-9.10581010 8.04071432 -5.41250309
-0.00017177 0.00028818 0.00022924
-0.00958439 0.00099909 0.00453188
-8.15216966 -3.13811526 19.02604534
0.00084812 0.00065000 0.00012844
-0.00824753 0.02211182 0.02923796
-8.04083318 -5.98145754 18.44758919
-0.00090785 0.00020725 0.00000805
-0.00941851 -0.02705166 0.01722463
-23.46934506 -3.48771838 -23.57642270
-0.00064301 -0.00002260 -0.00037332
-0.00101276 -0.01989534 0.02220545
-23.01322838 -5.05438287 -20.94894124
-0.00004221 -0.00031313 -0.00041000
0.00239482 0.01734317 0.00762332
6.96570726 13.24297224 4.29451766
0.00111471 -0.00008382 -0.00027895
-0.00587556 0.00237249 0.00755487
8.18572583 11.93357386 6.46152121
-0.00053503 0.00067123 -0.00029897
0.00112836 -0.00570620 0.00877495
24.91113596 28.82322752 -2.27584783
0.00012185 0.00086400 -0.00024886
-0.00296213 0.00730344 -0.00538385
24.12470350 31.55967106 -1.67480676
0.00014026 -0.00016755 0.00016687
-0.01397567 0.01847000 0.02040924
9.22459197 -2.13103736 -15.26154697
-0.00046362 0.00044565 -0.00126686
0.00834830 0.00150597 -0.00919251
7.98784970 -1.87413785 -12.84522996
-0.00033751 -0.00168009 -0.00050154
-0.01167586 0.02196679 -0.03007017
-7.77007912 -0.17182206 15.93287475
-0.00030858 -0.00050555 -0.00099465
0.01924213 0.01860624 0.00598740
-8.74642523 -1.99519333 14.34002104
-0.00051814 0.00020952 0.00114985
-0.01927446 -0.03241751 -0.01500780
-2.54087511 -26.70067388 12.89070911
0.00072718 -0.00037345 0.00049027
0.01144643 0.00078162 -0.00624810
-3.09061535 -25.91751245 10.13933406
0.00031053 -0.00001789 -0.00050594
-0.01808573 0.00412408 -0.02352108
-14.70616698 -2.92578597 -6.26036557
-0.00030335 -0.00007988 -0.00018450
0.00351434 0.01344100 0.00084946
-14.66948408 -4.68656396 -8.70779674
0.00060869 -0.00020902 0.00001221
0.00088073 0.00475868 0.00479097
-19.29803506 -11.21612209 -16.98276226
-0.00001589 0.00064010 -0.00002304
0.00793681 0.05376028 0.03137618
-18.31669049 -13.30109441 -18.10955593
0.00055432 0.00055187 0.00061965
-0.01325694 -0.02050215 -0.00623807
24.13875491 3.60455250 1.72456329
0.00038814 0.00104489 0.00068441
-0.02206197 -0.01561690 0.00040046
22.96370501 5.16759241 3.81210077
0.00031136 0.00015182 -0.00022233
-0.00880208 -0.00599873 0.00684497
16.35100191 -10.04681475 -13.27130519
-0.00000455 0.00015304 0.00088718
-0.04405431 0.01559362 0.03604362
17.02485428 -10.10737372 -16.06330850
-0.00010553 -0.00028691 -0.00083167
0.00011850 0.00720848 -0.00344804
-0.42473418 2.12284514 -7.97355555
0.00018616 -0.00061183 0.00054778
0.00590339 -0.00533602 -0.00051076
-2.26868104 0.00447772 -7.07426087
-0.00021317 -0.00047382 0.00098320
0.00101817 -0.00769450 -0.01371287
-5.45979559 -3.89381500 -16.70018330
0.00034619 -0.00146473 -0.00035816
-0.00681011 -0.00432891 -0.00825017
-3.74984004 -1.56766212 -16.62380687
-0.00103516 0.00015672 -0.00004036
-0.00119614 -0.00286695 -0.00633062
12.53193239 18.82298682 -20.52071047
-0.00084004 -0.00016264 0.00060965
0.00349312 0.01776712 -0.00629614
11.88280039 16.19212944 -20.15009638
0.00003900 0.00011098 -0.00024097
0.02404586 0.00160864 0.00235013
-15.31278737 15.70650935 -13.73566260
-0.00088065 0.00028589 0.00106191
-0.00246240 -0.00171073 0.00514327
-17.53226393 15.09233157 -12.12003391
0.00084576 -0.00026675 0.00012957
-0.02600228 -0.01773696 -0.00423468
2.53456659 15.03059947 5.80880657
-0.00104959 0.00044558 -0.00041550
-0.00597326 -0.00287946 0.01886487
0.67362084 15.81102861 8.06890073
0.00084144 -0.00026455 -0.00149196
0.00511405 -0.00643074 -0.00593477
-5.87752948 -8.23116070 1.30358978
-0.00007649 0.00142086 -0.00006018
-0.00630300 0.01126204 -0.00211844
-3.57615270 -9.90232853 1.75787974
-0.00035451 -0.00129733 0.00051035
-0.00430310 0.00213052 0.00096268
2.69445621 -4.79489693 2.90349063
0.00115119 0.00187039 0.00018868
-0.00279136 0.04506659 0.00503927
4.47727122 -6.62019590 1.47466759
-0.00002175 -0.00022464 0.00056807
0.00573065 0.00058873 0.00083326
9.31590507 5.71933507 3.93531434
0.00018501 0.00028227 -0.00131137
-0.02760404 0.01776695 -0.01154058
12.05771336 6.34440228 4.72916087
-0.00017605 0.00013555 -0.00011135
-0.00204678 -0.00545900 -0.00065029
-7.30310297 -10.94180563 -2.55772366
0.00068713 -0.00054499 0.00017130
-0.00859442 0.00254595 0.00709292
-9.63299169 -9.29443231 -1.50740318
0.00038645 -0.00038026 0.00032747
-0.00995723 -0.00522489 0.02123043
4.56019128 -16.44495621 -14.28830941
-0.00080844 0.00120110 -0.00019158
-0.02398063 0.01857580 0.00448722
3.79448906 -17.01601041 -11.83318493
-0.00052435 0.00043169 -0.00118221
-0.01835560 -0.00466535 0.02274939
5.70672075 -6.86150431 -6.03181448
0.00009225 0.00058964 -0.00080795
-0.00340467 -0.00869505 -0.00114533
4.99062783 -8.16505669 -3.66099979
-0.00029858 -0.00029039 -0.00030397
-0.00085417 -0.00561020 0.01681102
16.87507906 1.73208952 24.70754220
0.00056596 0.00124838 0.00020308
-0.00335148 -0.00262635 -0.00312883
19.72727445 2.39162101 24.46335650
-0.00056647 0.00056354 -0.00082648
0.00248056 -0.00039771 0.00848907
-9.78509598 3.93327614 2.35130705
-0.00026326 0.00097881 0.00002065
0.00052306 -0.01955020 -0.00643695
-7.40642950 4.52623406 0.95090822
0.00090644 -0.00072698 0.00020475
0.00647063 0.00192858 -0.00740919
-6.32247035 14.19561469 -9.08793427
0.00082033 -0.00042507 0.00073415
-0.01378626 0.00524711 -0.01554273
-9.09327784 13.71021353 -9.50944003
-0.00022924 -0.00050611 0.00022660
-0.03925596 -0.01340152 0.02192784
0.40165599 10.90905642 -7.81611131
0.00083022 -0.00018747 0.00070848
-0.00933026 -0.00964075 -0.01171451
2.66046736 12.31626598 -7.67428059
0.00100553 -0.00033767 0.00093567
0.01345043 0.00447897 -0.01155170
-10.22360419 9.12530429 -13.78218082
0.00005884 0.00041515 0.00017030
0.02819166 -0.02286312 0.00756935
-12.60036917 9.91438562 -12.41746346
-0.00033169 -0.00044277 0.00026615
-0.02857188 -0.01313317 0.05294254
7.31328501 6.23575135 14.75231822
0.00027892 0.00088362 -0.00171351
-0.00648191 0.00711526 0.01306434
7.27632021 4.39649291 12.89224029
0.00045661 0.00062844 0.00040711
-0.00198038 -0.02225814 0.00677626
-13.70893666 10.55096135 -8.53007891
0.00065548 -0.00011710 0.00006936
-0.00658204 0.00564102 0.00611688
-16.19032180 9.88331854 -9.91947123
-0.00030338 -0.00009464 -0.00030884
-0.03299234 0.01074282 -0.01153048
8.27104540 9.95688848 -2.39222616
-0.00080894 0.00051749 -0.00061191
0.00791283 -0.02504760 -0.00313505
7.50150850 8.50607198 -4.69263373
0.00145727 -0.00001686 0.00037555
0.01363468 -0.01054613 0.02851074
12.11212930 -20.14054606 -26.40979544
0.00004190 0.00053426 0.00081241
-0.02459103 0.00428982 -0.01038864
13.71055909 -20.12276424 -24.06777473
0.00037054 -0.00100039 0.00019455
0.00063541 0.00180073 0.01181064
5.84761365 4.92456248 2.38876545
0.00073714 0.00058948 -0.00150855
-0.01049956 -0.05196239 -0.00425815
6.40639324 7.28496901 0.83998189
0.00033076 -0.00044442 -0.00016364
0.00196494 -0.00719528 0.01708142
20.43255359 -6.42110217 -5.77235739
0.00008692 0.00005616 0.00009156
0.02425014 -0.01279314 0.01867369
17.71993871 -5.27360172 -5.42189900
0.00016160 0.00002572 -0.00067345
0.01397967 -0.00072691 -0.01593302
-2.56135671 0.42341722 -1.02199812
0.00126665 0.00019624 0.00039847
0.01315729 -0.01254013 -0.03196576
-2.50372284 0.95786718 -4.00714267
0.00021538 0.00012493 -0.00057701
0.01351963 0.00204464 0.00379181
3.61962382 -3.25879789 -12.18992198
0.00042970 -0.00013874 -0.00015667
-0.02223866 0.02744570 0.00134759
0.80885995 -2.58986331 -11.59910245
0.00015782 -0.00101058 -0.00007400
-0.04314647 -0.01943016 0.01946356
19.28176980 8.45244958 -6.50732914
-0.00109946 -0.00006186 -0.00016179
-0.01207287 -0.03092126 -0.03945795
21.80023031 8.60608590 -4.83562893
-0.00136415 0.00027893 -0.00074608
-0.00255972 -0.00635046 -0.00316950
-7.35771746 4.62987619 8.96045009
0.00063986 -0.00019913 0.00047266
0.00179712 0.00299017 0.00689469
-7.70831400 6.27324318 11.26991611
-0.00074007 0.00025428 -0.00098702
-0.00467179 -0.00035872 0.02271530
-3.19879496 -16.26722135 11.22050856
-0.00014265 0.00063918 -0.00102503
0.01193263 -0.00879014 -0.00241691
-4.16431181 -13.75872321 11.58718848
-0.00024765 -0.00052546 -0.00059993
-0.01036809 0.01445589 -0.00119522
8.50994857 0.55716234 -3.24379437
0.00046417 0.00007600 -0.00018736
0.00898419 0.00467260 0.04734528
7.83310151 1.96638652 -5.76072564
0.00020766 -0.00143572 -0.00029953
0.00103872 -0.02134150 0.01108745
1.07800432 -10.72430795 1.64969292
-0.00118067 -0.00038920 0.00022499
-0.00818827 -0.00645337 0.00318972
0.07961183 -8.39496077 0.33681154
-0.00019296 0.00001216 -0.00023969
-0.00079206 -0.00471707 -0.01193641
-20.19607915 -1.42640308 6.66843957
-0.00032478 -0.00047432 0.00033901
0.00270515 0.00192345 -0.01492107
-21.30483633 0.29057045 4.45185645
-0.00004455 -0.00036125 0.00018563
0.02274055 -0.02642500 0.00398231
-3.81789894 8.33368651 -25.32446919
0.00014316 -0.00027418 -0.00089598
-0.00597524 0.00046523 0.04813189
-4.54374541 8.93737240 -22.27482576
-0.00031801 -0.00101775 0.00033844
0.00644932 -0.00941808 -0.02378525
3.99309083 1.21089255 -0.90429516
0.00125691 0.00107280 0.00012107
0.02587400 -0.00933854 0.00224902
1.29223873 1.04287771 -1.71635398
0.00005823 0.00000358 0.00096363
-0.00710432 0.01577624 -0.00366552
15.78744624 7.64387314 6.36499884
-0.00067259 0.00046470 -0.00099919
0.00207333 -0.00554396 0.01014615
15.87500745 8.96402400 3.94221016
0.00027908 0.00000916 -0.00004409
0.01110528 0.05808341 -0.03283893
-0.31515985 -11.81970469 -13.21863018
0.00014061 -0.00001029 0.00022581
0.01095904 0.00071180 -0.00110875
-13.94356132 14.45977562 22.22001609
-0.00002121 -0.00013035 0.00015355
-0.00016025 -0.00205422 0.00237364
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03090085
0.32368818
431.29827802
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1343212547
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4630340100 (a.u.)
total exchange computation time: 2.7205760479 s
-154.6714672818
-931.35617433
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1343212547
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.4615030637 (a.u.)
total exchange computation time: 2.7174282074 s
-154.6842244385
Anderson extrapolation: theta=1.3465928140 (1.3465928140)
-931.35644239
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1343212547
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4592957524 (a.u.)
total exchange computation time: 2.7188870907 s
-154.7022605841
Anderson extrapolation: theta=0.0546167504 (0.0546167504)
-931.35660240
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1343212547
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4590655588 (a.u.)
total exchange computation time: 2.7188899517 s
-154.7039662645
Anderson extrapolation: theta=2.0602728816 (2.0000000000)
-931.35660927
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1343212547
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4585787938 (a.u.)
total exchange computation time: 2.7191808224 s
-154.7075345168
Anderson extrapolation: theta=0.2786321664 (0.2786321664)
-931.35661754
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1343212547
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4584429543 (a.u.)
total exchange computation time: 2.7188239098 s
-154.7084989924
Anderson extrapolation: theta=1.6586559708 (1.6586559708)
-931.35661950
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1343212547
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4582525046 (a.u.)
total exchange computation time: 2.7198247910 s
-154.7098110702
Anderson extrapolation: theta=0.3310061927 (0.3310061927)
-931.35662173
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1343212547
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.4582257103 (a.u.)
total exchange computation time: 2.7182600498 s
-154.7099520984
Anderson extrapolation: theta=1.1193323079 (1.1193323079)
-931.35662232
-164.140888 50.181241 -204.444321
-132.918328 460.597914 -800.944655
-297.059217 510.779155 -1005.388977
1166.167448
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1343212547
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.4582241446 (a.u.)
total exchange computation time: 2.7475609779 s
680.13801087
-1086.67903617
89.79874836
-387.10009552
-175.05602611
79.94880289
551.60419304
0.00000000
-931.35662272
-10.91117796 -4.28053709 6.66628693
0.00013413 -0.00013100 -0.00003524
0.01382503 -0.01289538 0.04504161
-13.93942166 3.64191645 9.27532102
0.00021243 0.00028546 -0.00015817
-0.02406269 -0.00123320 0.01724858
-15.95015647 1.41252045 3.43128908
-0.00002678 0.00021980 0.00010086
0.01806889 0.02830378 0.00029131
2.61142989 -19.83577391 12.82512362
0.00021018 -0.00008403 -0.00008188
-0.01968839 -0.02156241 -0.04249521
9.58697143 20.36005885 1.21256047
-0.00015818 -0.00000054 0.00039958
0.01072640 0.02399449 -0.00347633
-12.09874596 12.55870216 15.19913312
-0.00011154 -0.00008145 0.00009785
0.00327833 -0.00046500 -0.03102895
-6.20641009 1.44268343 -12.44192213
0.00017944 -0.00018375 -0.00033137
-0.00333959 -0.03681827 0.03879546
-7.42849483 7.75346140 -6.00891194
-0.00003646 -0.00015916 -0.00025348
-0.00484561 0.01812678 -0.02612181
-7.76385402 -4.34822862 17.81475107
-0.00009658 -0.00009869 -0.00000910
0.01890780 -0.00266657 -0.03605029
-23.56643882 -5.15224155 -22.65892408
-0.00017915 -0.00034708 -0.00020745
-0.00796601 0.01127847 -0.03391778
6.59892899 12.76125798 6.05175901
0.00001344 -0.00006184 0.00000398
0.00769438 0.00530994 -0.02746472
24.76998124 30.52438514 -2.97315178
0.00015829 0.00011078 -0.00018808
0.00878797 -0.02132538 -0.01818208
7.92123762 -1.01085454 -14.55325356
0.00001687 0.00038759 0.00003974
-0.00238180 -0.02455543 0.05137693
-7.35395481 -0.90143942 14.30152162
-0.00018915 0.00019079 -0.00026899
0.00494230 0.01243682 -0.01162466
-1.73463902 -26.19605439 11.25333531
0.00018575 0.00009592 -0.00019208
0.00256638 -0.01009238 0.02302918
-14.03772593 -4.45328775 -6.98628515
0.00014778 0.00020110 0.00006496
-0.00260058 -0.02404872 -0.01310675
-20.00739417 -12.64516322 -17.69251832
0.00004183 -0.00020153 0.00014059
0.01071223 -0.02606463 -0.02052298
22.76456548 3.52561292 3.00643288
0.00010175 -0.00019428 0.00002608
0.02022364 0.03033915 0.00448572
17.66655830 -10.31275481 -14.37134424
-0.00017583 -0.00036541 -0.00003711
0.03948681 -0.01326955 -0.03409442
-1.96704085 1.78239404 -7.02792414
0.00025454 -0.00013052 -0.00004026
-0.01705828 0.01023444 -0.00332820
-4.29923185 -3.01626788 -15.63974679
-0.00021446 0.00015448 -0.00004215
0.00530451 0.00475825 0.00698068
13.39959691 17.31239707 -19.94874668
0.00014337 0.00013526 0.00033818
-0.02138549 -0.02049597 -0.00595298
-16.06040388 16.10344748 -12.09772707
0.00060479 0.00015708 -0.00003008
0.02500562 0.02563329 0.01623673
1.98308041 14.61181975 7.56474799
0.00045944 0.00033322 0.00017043
-0.00800571 -0.00103706 -0.01165118
-5.36177058 -9.68542589 2.25112677
-0.00000274 -0.00028512 0.00025791
0.01278586 -0.00591142 -0.00008924
3.07048126 -6.50085240 2.65222797
-0.00004407 -0.00048912 0.00023670
-0.00544633 -0.01596826 -0.00018293
10.85362084 4.96709290 4.41575289
-0.00002716 0.00023717 -0.00003591
0.02201169 0.00195833 0.02054990
-8.53292385 -9.60863584 -2.88498590
-0.00009075 0.00037799 -0.00055496
0.01942499 -0.00516593 -0.02381551
3.15122659 -15.94142335 -13.14149532
0.00026322 -0.00010272 0.00021426
0.02660636 0.00077944 -0.03333470
4.78610107 -8.36716113 -5.42810942
-0.00012375 0.00022981 0.00058416
0.00323574 0.01881083 -0.02436901
18.55096638 0.98470507 24.65765026
-0.00004025 0.00006910 -0.00019589
-0.00247423 0.00080887 -0.00478810
-8.53209099 3.10350664 1.17226373
-0.00037883 -0.00002498 0.00011979
0.00824121 0.01110741 0.00144604
-7.65971834 14.21946015 -10.38721350
0.00035709 0.00000419 0.00022766
0.05163191 0.00543575 -0.00090523
1.70770541 11.42948545 -9.00035869
-0.00009966 0.00008057 -0.00009997
0.00030327 0.01075139 0.02621839
-11.67350845 10.12046737 -13.86503978
0.00029032 0.00023478 -0.00018526
-0.00577694 0.03144652 -0.05053212
6.90387804 4.44421653 14.72902380
-0.00045202 0.00011239 0.00005006
0.01566763 0.01277867 -0.02483784
-14.84387581 9.16288498 -9.03749443
-0.00031598 -0.00031729 0.00029643
0.03367820 -0.01231112 0.00461217
8.49356717 8.20730759 -3.09521073
-0.00011284 -0.00017184 -0.00013536
-0.01800426 0.04453604 -0.01348386
13.77627424 -20.45392738 -25.88006251
0.00012447 -0.00007309 -0.00029772
0.02067979 -0.00367779 0.00334003
6.20938223 6.63059902 2.57847586
-0.00026763 0.00027047 -0.00005984
0.01305381 0.05893361 -0.01726641
19.04332173 -5.79261524 -6.66998828
-0.00044217 -0.00003171 -0.00014560
-0.03686511 0.00951686 0.00316863
-1.67446598 -0.04930442 -2.68096646
-0.00001952 -0.00023025 0.00003480
-0.02236359 0.00316751 0.05092432
2.32694530 -1.82871232 -12.10226221
0.00001044 0.00023151 0.00028363
0.08016116 -0.01173589 -0.02821770
20.17177959 9.35741016 -5.32115779
-0.00042297 0.00003478 -0.00007219
0.01159277 0.03487462 0.02872704
-7.56424763 6.40729876 9.49973322
-0.00025256 -0.00014818 0.00024474
-0.00139826 -0.00489326 -0.03248461
-2.56255024 -14.57151302 11.44776316
0.00020486 0.00002567 -0.00009794
-0.00512411 -0.00730280 0.00768837
8.12314413 0.25878458 -4.91317343
-0.00003253 -0.00011525 0.00008712
-0.01267879 0.01054907 -0.05348063
-0.12229595 -10.23082705 0.33518681
-0.00010889 -0.00033764 -0.00022346
0.00171587 0.00576010 0.00613085
-20.20167603 -1.24480052 4.77870019
-0.00026077 0.00040623 0.00000739
-0.01848350 0.01864376 0.01317918
-4.57472628 7.67157201 -23.63112570
0.00014316 0.00027536 -0.00007345
-0.00142788 0.00515854 -0.01445468
2.58232557 2.26247941 -1.11840512
0.00005498 -0.00038169 0.00026414
-0.00442641 0.00092378 -0.01160907
15.51067294 7.40404162 4.58233510
-0.00007294 -0.00029339 -0.00008576
-0.01540480 -0.04519101 0.01126906
-9.57047028 -4.65712551 7.95034129
-0.00099240 0.00026388 0.00084981
-0.02341852 0.00765017 -0.02461003
-10.10318080 -4.02572178 5.06591421
0.00078498 -0.00118829 -0.00002602
0.01563357 -0.00547202 -0.01143737
-12.79734023 4.75304281 8.46924046
0.00058908 -0.00001872 -0.00073850
0.01556026 0.00274957 -0.01193813
-13.83083641 1.91165079 8.59564149
-0.00040365 -0.00032871 -0.00036786
0.00855827 0.00170747 -0.00209094
-15.42896982 2.12803002 5.05276631
-0.00065984 0.00022873 -0.00102463
0.00202406 -0.00916172 -0.00896188
-17.36122318 0.37994540 3.91493016
-0.00004252 0.00113039 -0.00070321
-0.01992427 -0.01649915 0.00553267
3.17827693 -21.34509610 11.80339117
-0.00027183 -0.00004312 0.00063031
-0.01498121 0.01780676 0.01865153
3.69506480 -19.54576663 14.17940101
0.00101282 0.00130036 0.00023085
0.02774907 0.00595502 0.02540921
8.82599007 18.70753235 1.11734179
0.00061517 -0.00026248 -0.00025080
-0.01739806 0.00387478 0.00212577
8.60226108 21.75084103 2.04036630
0.00045202 0.00016732 0.00026318
-0.00068762 -0.02791701 -0.00418481
-11.23994420 11.71209400 16.50855202
-0.00088924 0.00044948 0.00039302
0.01562048 -0.00191089 0.02361893
-12.57170920 14.19816173 15.78062808
-0.00002995 0.00029582 0.00023228
-0.00479336 0.01455204 0.00634155
-5.16044568 0.14501525 -13.25402205
0.00008592 0.00030088 -0.00004942
-0.01135535 0.01219366 0.00194517
-6.69717246 0.51182577 -10.72616516
0.00024677 0.00001197 -0.00034457
0.00976854 0.02869912 -0.03737118
-6.89269365 6.35433393 -5.05980818
-0.00036829 0.00007660 -0.00023833
0.00785906 -0.02457854 0.01693591
-9.10868034 8.04506768 -5.40892559
-0.00020488 0.00029163 0.00024553
-0.00662300 0.00068655 0.00344068
-8.13970062 -3.12768771 19.02886786
0.00081686 0.00073361 0.00024145
-0.00705496 0.01881893 0.02607962
-8.05473957 -5.97917779 18.44823773
-0.00094653 0.00009566 0.00007937
-0.00951654 -0.02756949 0.01768970
-23.47902130 -3.48866700 -23.58134199
-0.00064690 -0.00010649 -0.00028109
-0.00088778 -0.02117262 0.02293869
-23.01378812 -5.05854837 -20.95485770
-0.00003134 -0.00024202 -0.00037639
0.00292556 0.01746632 0.00883205
6.98224782 13.24178763 4.29056494
0.00108749 -0.00007480 -0.00024294
-0.00744545 0.00204511 0.01006946
8.17773496 11.94346740 6.45730561
-0.00051946 0.00064152 -0.00025836
0.00649096 -0.00883343 0.01109998
24.91287298 28.83641133 -2.27974573
0.00011103 0.00088291 -0.00026760
-0.00233581 0.00195534 -0.00378832
24.12637921 31.55772386 -1.67167836
0.00008411 -0.00009298 0.00024748
-0.01351366 0.01802924 0.01905172
9.21789344 -2.12430653 -15.28083161
-0.00043075 0.00045352 -0.00130256
0.00774314 0.00235027 -0.00827989
7.98242934 -1.89866608 -12.85367457
-0.00038455 -0.00158680 -0.00062779
-0.01135393 0.02370147 -0.03172569
-7.77411824 -0.17883524 15.91813841
-0.00023083 -0.00042140 -0.00095765
0.01881847 0.02258909 0.01212657
-8.75478790 -1.99304393 14.35680883
-0.00059219 0.00007906 0.00108607
-0.01697644 -0.03144090 -0.01620923
-2.52961672 -26.70625174 12.89787173
0.00077404 -0.00036834 0.00045895
0.01149427 0.00172265 -0.00908479
-3.08651164 -25.91765444 10.13102415
0.00023798 -0.00000185 -0.00059910
-0.01742492 0.00372586 -0.02207877
-14.71060954 -2.92657231 -6.26310698
-0.00028994 -0.00002287 -0.00018010
0.00305086 0.01446762 0.00130254
-14.66032679 -4.68955350 -8.70746676
0.00061197 -0.00018907 0.00003093
0.00072622 0.00500923 0.00436960
-19.29803021 -11.20487321 -16.98214638
0.00001027 0.00084837 0.00009881
0.00487028 0.04818889 0.02826750
-18.30878194 -13.29344465 -18.10045235
0.00049871 0.00046820 0.00059406
-0.01396379 -0.02045581 -0.00628877
24.14390089 3.61974729 1.73484167
0.00029933 0.00097878 0.00068364
-0.02140997 -0.01674621 -0.00077426
22.96810573 5.16968593 3.80897563
0.00027344 0.00012466 -0.00019409
-0.00975968 -0.00729870 0.00697753
16.34958377 -10.04404133 -13.25689297
-0.00017503 0.00021555 0.00102455
-0.03939663 0.01500422 0.03119853
17.02327491 -10.11145651 -16.07588923
-0.00010280 -0.00025809 -0.00083415
0.00121913 0.00689794 0.00223348
-0.42176093 2.11350410 -7.96535446
0.00021607 -0.00063288 0.00054213
0.00874068 -0.00496523 -0.00225539
-2.27184732 -0.00286530 -7.05993306
-0.00020721 -0.00049856 0.00092634
0.00189670 -0.00441742 -0.01412245
-5.45481142 -3.91591864 -16.70580854
0.00032555 -0.00147652 -0.00038552
-0.00329213 -0.00144220 -0.00514251
-3.76540410 -1.56539922 -16.62460628
-0.00103918 0.00014747 -0.00006842
-0.00077057 -0.00165965 -0.00740659
12.51943879 18.82109173 -20.51175865
-0.00082371 -0.00008973 0.00058461
0.00450335 0.01792068 -0.00596100
11.88412229 16.19384344 -20.15363894
0.00013863 0.00011662 -0.00023065
0.02472029 0.00115156 0.00270227
-15.32607254 15.71074525 -13.71957641
-0.00087864 0.00027511 0.00106109
0.00344597 -0.00356522 -0.00554106
-17.52037437 15.08778687 -12.11822009
0.00074003 -0.00033755 0.00011424
-0.02575111 -0.01692030 -0.00326926
2.51863963 15.03719500 5.80315208
-0.00107089 0.00043115 -0.00033800
-0.00445115 -0.00418810 0.01907243
0.68639912 15.80686328 8.04633941
0.00084946 -0.00028064 -0.00150825
-0.00118794 -0.00144482 -0.00203746
-5.87887002 -8.20950273 1.30262223
-0.00009322 0.00144591 -0.00005582
-0.00188431 0.00100066 0.00425240
-3.58160225 -9.92172312 1.76556455
-0.00036874 -0.00128714 0.00051194
-0.00266222 0.00285668 -0.00018709
2.71163854 -4.76546006 2.90647529
0.00114689 0.00201657 0.00020478
0.00068679 0.02648883 0.00283809
4.47712054 -6.62354741 1.48321415
0.00000444 -0.00022415 0.00056921
0.00709007 -0.00035304 -0.00027313
9.31783434 5.72411361 3.91529016
0.00007595 0.00035304 -0.00135686
-0.02578227 0.01687272 -0.01072486
12.05500983 6.34626823 4.72747066
-0.00018287 0.00011527 -0.00011328
-0.00128764 -0.00446599 -0.00029159
-7.29305937 -10.94990251 -2.55493687
0.00064049 -0.00052108 0.00019540
-0.01423773 0.00915861 0.00470784
-9.62750010 -9.30029626 -1.50184059
0.00034814 -0.00040159 0.00040998
-0.00879337 -0.00521753 0.01915800
4.54732985 -16.42637047 -14.29104559
-0.00089755 0.00127338 -0.00017935
-0.01963855 0.01680339 0.00149720
3.78606128 -17.00967803 -11.85022100
-0.00058949 0.00039650 -0.00107033
-0.01352730 -0.01256020 0.03202004
5.70800016 -6.85292611 -6.04396878
0.00007317 0.00054541 -0.00080597
-0.00593440 -0.01295851 0.00211095
4.98612289 -8.16958445 -3.66504424
-0.00029952 -0.00030994 -0.00022003
0.00039783 -0.00395756 0.02428111
16.88346571 1.75073480 24.71049257
0.00054988 0.00123522 0.00019069
-0.00451687 -0.00381796 -0.00293884
19.71885338 2.40006188 24.45121946
-0.00055501 0.00055913 -0.00079125
0.00313212 -0.00176006 0.00875485
-9.78902879 3.94735918 2.35141950
-0.00025921 0.00089763 -0.00000685
0.00145535 -0.02018709 -0.00702226
-7.39263468 4.51538852 0.95375240
0.00092937 -0.00072193 0.00017488
0.00475743 0.00054084 -0.00721120
-6.31058784 14.18939935 -9.07739828
0.00075722 -0.00040343 0.00066516
-0.01710868 0.00534827 -0.01823022
-9.09791932 13.70221115 -9.50536907
-0.00037743 -0.00055701 0.00030961
-0.03328329 -0.01151214 0.01870427
0.41382345 10.90594901 -7.80584300
0.00079063 -0.00022710 0.00066023
-0.01004932 -0.00975845 -0.01190546
2.67596253 12.31133820 -7.66059951
0.00105325 -0.00032539 0.00087818
0.00990941 0.00153283 -0.01659204
-10.22185778 9.13083090 -13.77939440
0.00017759 0.00031933 0.00020133
0.02993796 -0.02404195 0.00762142
-12.60622004 9.90734164 -12.41184896
-0.00043838 -0.00049449 0.00046543
-0.02365483 -0.01218525 0.04461062
7.31727017 6.24922365 14.72701587
0.00024861 0.00090323 -0.00165733
-0.00835362 0.00248344 0.01443504
7.28310864 4.40523739 12.89855455
0.00044779 0.00053396 0.00043060
-0.00233659 -0.02398817 0.00472601
-13.69930614 10.54937777 -8.52885110
0.00062259 -0.00009989 0.00009204
-0.00951816 0.00278302 0.00498422
-16.19588345 9.88222815 -9.92445710
-0.00043129 -0.00005404 -0.00035165
-0.02962129 0.00913133 -0.00942848
8.25915375 9.96388337 -2.40150087
-0.00077497 0.00040945 -0.00062476
0.00871512 -0.02783933 -0.00315496
7.52378541 8.50549592 -4.68612685
0.00150406 -0.00006022 0.00047803
0.00926938 -0.01067832 0.02165673
12.11200430 -20.13240064 -26.39792770
-0.00006005 0.00055237 0.00076888
-0.02531665 0.00457369 -0.01091792
13.71613661 -20.13771495 -24.06449455
0.00037388 -0.00099342 0.00023803
0.00100244 0.00161336 0.00947450
5.85834896 4.93181233 2.36600668
0.00069327 0.00037136 -0.00152431
-0.01097349 -0.05480812 -0.00345395
6.41141480 7.27808226 0.83805067
0.00033901 -0.00046955 -0.00009523
0.00207666 -0.00510896 0.01640710
20.43460045 -6.42065187 -5.77041173
0.00017729 0.00000789 0.00016239
0.01998734 -0.01083486 0.01599762
17.72279106 -5.27323825 -5.43248904
0.00021168 0.00002514 -0.00073196
0.01053417 0.00044623 -0.01270690
-2.54195381 0.42597649 -1.01700060
0.00131714 0.00014566 0.00026803
0.01155998 -0.01221871 -0.03188725
-2.50007783 0.95980380 -4.01568167
0.00027296 0.00013071 -0.00055565
0.01466341 0.00078330 0.00666350
3.62538780 -3.26003796 -12.19223080
0.00033563 -0.00002196 -0.00015072
-0.02380871 0.02971990 0.00156805
0.80990515 -2.60561748 -11.59961606
-0.00001372 -0.00108692 0.00000358
-0.04082385 -0.01793420 0.01851388
19.26490799 8.45057411 -6.51096507
-0.00114300 -0.00018185 -0.00031557
-0.00924351 -0.02781256 -0.03582135
21.77968964 8.61007519 -4.84691720
-0.00136140 0.00024643 -0.00075510
0.00390644 -0.00955835 -0.00124596
-7.34806455 4.62698082 8.96775133
0.00064677 -0.00018605 0.00050069
0.00158481 0.00341267 0.00682435
-7.71955826 6.27704645 11.25580686
-0.00076148 0.00025140 -0.00087233
-0.00580689 -0.00105449 0.03342679
-3.20056905 -16.25790305 11.20505902
-0.00009412 0.00059709 -0.00103562
0.01182094 -0.01181360 -0.00276696
-4.16834429 -13.76616217 11.57815287
-0.00028770 -0.00046566 -0.00060483
-0.00923645 0.01482016 -0.00120253
8.51718647 0.55844546 -3.24515389
0.00050130 0.00009591 0.00000608
0.00919003 0.00507527 0.04734219
7.83624831 1.94419672 -5.76487882
0.00021053 -0.00151288 -0.00025739
0.00036567 -0.01642634 0.00953806
1.06004330 -10.73034366 1.65316558
-0.00121004 -0.00041648 0.00024118
-0.00618538 -0.00690156 0.00473071
0.07669309 -8.39492288 0.33285037
-0.00019649 -0.00001206 -0.00028814
-0.00093150 -0.00713975 -0.01177701
-20.20086789 -1.43345890 6.67306748
-0.00031380 -0.00046480 0.00027393
0.00266679 0.00273428 -0.01693689
-21.30480770 0.28434192 4.45476286
0.00004316 -0.00046241 0.00020082
0.02019126 -0.02309026 0.00345609
-3.81593461 8.32958807 -25.33643402
0.00011821 -0.00027086 -0.00069489
-0.00623723 0.00115762 0.05030290
-4.54831794 8.92181756 -22.27047797
-0.00029045 -0.00104884 0.00024601
0.00704148 -0.00580001 -0.02146033
4.01273731 1.22669846 -0.90241013
0.00135814 0.00103505 0.00012871
0.02367895 -0.00914238 0.00148824
1.29289455 1.04341483 -1.70201184
0.00002845 0.00006245 0.00094671
-0.00747712 0.01304364 -0.00461818
15.77742091 7.65067382 6.35032196
-0.00066220 0.00044259 -0.00094313
0.00301388 -0.00528265 0.01729219
15.87953403 8.96594125 3.94054259
0.00032215 0.00023710 -0.00017574
0.00997703 0.05349340 -0.03160533
-0.31302133 -11.81985707 -13.21524604
0.00014451 -0.00001003 0.00022541
0.01085848 0.00073950 -0.00109192
-13.94387978 14.45781681 22.22232341
-0.00002122 -0.00013082 0.00015410
0.00011976 -0.00197016 0.00242486
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03095760
0.32566512
433.93244824
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1343212547
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4571718877 (a.u.)
total exchange computation time: 2.7475879192 s
-154.6557074332
-931.35754282
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1343212547
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4557359858 (a.u.)
total exchange computation time: 2.7433280945 s
-154.6677865947
Anderson extrapolation: theta=1.3409298866 (1.3409298866)
-931.35778977
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1343212547
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4536613559 (a.u.)
total exchange computation time: 2.7445762157 s
-154.6849072228
Anderson extrapolation: theta=0.0506197485 (0.0506197485)
-931.35793508
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1343212547
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4534431332 (a.u.)
total exchange computation time: 2.7445700169 s
-154.6865464965
Anderson extrapolation: theta=1.8948757571 (1.8948757571)
-931.35794043
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1343212547
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4529980384 (a.u.)
total exchange computation time: 2.7454469204 s
-154.6898603274
Anderson extrapolation: theta=0.2199771387 (0.2199771387)
-931.35794615
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1343212547
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4528909388 (a.u.)
total exchange computation time: 2.7431340218 s
-154.6906338553
Anderson extrapolation: theta=1.8815036067 (1.8815036067)
-931.35794735
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1343212547
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4527155423 (a.u.)
total exchange computation time: 2.7432439327 s
-154.6918713917
Anderson extrapolation: theta=0.2911631579 (0.2911631579)
-931.35794897
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1343212547
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4526925032 (a.u.)
total exchange computation time: 2.7461421490 s
-154.6920028999
Anderson extrapolation: theta=1.3122214972 (1.3122214972)
-931.35794941
-164.155976 50.209851 -204.430663
-132.897753 460.632204 -801.002994
-297.053729 510.842055 -1005.433657
1166.232122
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0559593023
ExchangeOperator: pair fraction: ispin=0: 0.1343212547
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4526852509 (a.u.)
total exchange computation time: 2.7437088490 s
680.04435590
-1086.48386474
89.80832636
-387.23266817
-175.04141389
79.84528020
551.60419304
0.00000000
-931.35794980
-10.90911266 -4.28255176 6.66593207
0.00014076 -0.00013739 -0.00001267
0.01193752 -0.01196121 0.04273821
-13.93632801 3.64619352 9.27301502
0.00020066 0.00028449 -0.00014998
-0.02172227 -0.00253832 0.01458664
-15.95048847 1.41592666 3.43280315
-0.00001712 0.00023420 0.00009873
0.01950277 0.02768228 -0.00859676
2.61450661 -19.83711754 12.82373154
0.00020110 -0.00009403 -0.00010121
-0.01562428 -0.01732769 -0.03267328
9.58464009 20.36014336 1.21854082
-0.00015209 0.00001156 0.00039750
0.01296850 0.02303982 -0.00462903
-12.10040646 12.55747863 15.20048121
-0.00011044 -0.00008051 0.00008165
0.00102406 0.00411364 -0.03195833
-6.20373143 1.43978515 -12.44674299
0.00017723 -0.00020187 -0.00031110
-0.00523343 -0.03364454 0.04003202
-7.42906048 7.75114394 -6.01281491
-0.00003991 -0.00014931 -0.00026686
-0.00854850 0.02015768 -0.02591883
-7.76522975 -4.34971924 17.81447549
-0.00008724 -0.00009905 -0.00002661
0.01739186 0.00128150 -0.03202928
-23.56915673 -5.15740425 -22.66216665
-0.00018333 -0.00034110 -0.00022514
-0.00830432 0.01199069 -0.03489116
6.59916025 12.76035080 6.05171275
0.00001636 -0.00005828 -0.00001127
0.00365989 0.00856193 -0.03181987
24.77238946 30.52596462 -2.97604314
0.00016243 0.00010160 -0.00019732
0.00731396 -0.01439879 -0.01772718
7.92148143 -1.00513545 -14.55245925
0.00001582 0.00037428 0.00006605
-0.00168739 -0.02717880 0.05092410
-7.35677294 -0.89852958 14.29744195
-0.00018731 0.00019571 -0.00027618
0.00219343 0.00670096 -0.01633587
-1.73184291 -26.19465447 11.25054299
0.00018667 0.00009064 -0.00018011
0.00100407 -0.01047057 0.02348958
-14.03551929 -4.45036403 -6.98536131
0.00014654 0.00018848 0.00005829
-0.00221665 -0.02500789 -0.01283399
-20.00672534 -12.64828667 -17.69048870
0.00004834 -0.00021304 0.00013104
0.01458705 -0.01871092 -0.01659988
22.76616977 3.52281571 3.00684134
0.00011210 -0.00017804 0.00002873
0.02001526 0.03282503 0.00583357
17.66407317 -10.31828713 -14.37203243
-0.00015738 -0.00037188 -0.00005442
0.03224064 -0.01189175 -0.03319201
-1.96328859 1.78047571 -7.02854085
0.00024483 -0.00012628 -0.00004148
-0.02069311 0.00626463 -0.00141038
-4.30242825 -3.01393240 -15.64035205
-0.00021274 0.00015581 -0.00003911
0.00137985 0.00042984 0.00482309
13.40166499 17.31434698 -19.94369692
0.00013202 0.00012499 0.00033487
-0.02275893 -0.01945951 -0.00690413
-16.05123562 16.10590260 -12.09811565
0.00061576 0.00017039 -0.00001908
0.01764752 0.02611010 0.02656111
1.98994114 14.61681406 7.56725950
0.00045665 0.00033161 0.00016348
-0.00284213 -0.00521992 -0.01537604
-5.36176239 -9.68972554 2.25499509
0.00000233 -0.00028584 0.00025668
0.00695391 0.00311482 -0.00468591
3.06979916 -6.50825085 2.65577776
-0.00004805 -0.00049248 0.00023735
-0.01000688 0.00292140 0.00271658
10.85329840 4.97065793 4.41529347
-0.00001692 0.00023829 -0.00002573
0.01778607 0.00243311 0.01905847
-8.53421022 -9.60298587 -2.89340218
-0.00007994 0.00037380 -0.00056587
0.02261223 -0.01115689 -0.01861626
3.15527748 -15.94296110 -13.13840994
0.00027441 -0.00009974 0.00019568
0.01692941 0.01079212 -0.03891886
4.78425724 -8.36364138 -5.41944106
-0.00012185 0.00024004 0.00056902
0.00417547 0.02097595 -0.03450393
18.55035314 0.98574472 24.65469340
-0.00004140 0.00007012 -0.00019839
-0.00202401 0.00316517 -0.00490798
-8.53774169 3.10317477 1.17406617
-0.00037430 -0.00001883 0.00012049
0.00938403 0.01281387 0.00125955
-7.65416282 14.21954399 -10.38380213
0.00038249 0.00000633 0.00022872
0.04715189 0.00287596 0.00504485
1.70621176 11.43073551 -9.00175714
-0.00009842 0.00008685 -0.00008526
0.00450293 0.01366846 0.03100724
-11.66917597 10.12411034 -13.86801361
0.00028571 0.00025068 -0.00020871
-0.01213077 0.03039171 -0.04064445
6.89715818 4.44595164 14.72967888
-0.00044346 0.00012049 0.00003750
0.01762775 0.01871116 -0.02398709
-14.84848564 9.15807820 -9.03303018
-0.00029899 -0.00032232 0.00029837
0.03241093 -0.00725436 0.00292768
8.49180507 8.20490172 -3.09729310
-0.00012102 -0.00014851 -0.00014028
-0.01379411 0.04621753 -0.00564292
13.77822105 -20.45503790 -25.88451547
0.00013494 -0.00007489 -0.00029523
0.02003732 -0.00330664 0.00634155
6.20541821 6.63488344 2.57751171
-0.00026093 0.00030023 -0.00006871
0.01296919 0.05677740 -0.01725757
19.03654698 -5.79305425 -6.67216001
-0.00045872 -0.00002780 -0.00014415
-0.02751075 0.00569691 0.00247188
-1.67484501 -0.05274601 -2.68024800
-0.00003085 -0.00022843 0.00006010
-0.02168672 0.00391192 0.04744959
2.32741107 -1.82528493 -12.09811653
0.00005079 0.00022441 0.00026937
0.07676691 -0.01589411 -0.02723793
20.16547975 9.35806645 -5.32212976
-0.00041974 0.00005247 -0.00005921
0.00095918 0.03391552 0.02173616
-7.56804140 6.40505723 9.50327897
-0.00025287 -0.00015063 0.00022555
0.00017547 -0.00465410 -0.04212741
-2.55949710 -14.57115612 11.44632376
0.00020180 0.00002258 -0.00009388
-0.00675659 -0.00472945 0.00809098
8.12260734 0.25709654 -4.91207285
-0.00003876 -0.00011129 0.00006078
-0.01158425 0.00485394 -0.04895482
-0.12392271 -10.23586948 0.33185854
-0.00010843 -0.00033404 -0.00022074
0.00006520 0.00824315 0.00443787
-20.20565895 -1.23863512 4.77886187
-0.00026943 0.00041446 0.00001478
-0.01518366 0.01335289 0.01556802
-4.57258433 7.67572226 -23.63228326
0.00014229 0.00027682 -0.00008196
-0.00197060 0.00054781 -0.01862554
2.58313319 2.25675768 -1.11448782
0.00005372 -0.00038072 0.00025858
-0.00045517 0.00281544 -0.00999213
15.50951941 7.39946640 4.58109213
-0.00008062 -0.00031492 -0.00008233
-0.01446014 -0.03852458 0.00206220
-9.58607386 -4.65293288 7.96233425
-0.00108407 0.00029422 0.00075106
-0.02145774 0.00720137 -0.02372844
-10.09092701 -4.04371384 5.06517338
0.00084829 -0.00121117 -0.00006966
0.01535403 -0.00572893 -0.00992457
-12.78802716 4.75284625 8.45779718
0.00064834 -0.00001168 -0.00078458
0.01344833 0.00069810 -0.01062123
-13.83662897 1.90677247 8.59005946
-0.00036900 -0.00031499 -0.00037336
0.00840591 0.00500733 -0.00059893
-15.43880537 2.13118023 5.03712231
-0.00064651 0.00019840 -0.00104550
0.00450101 -0.00568400 -0.00125555
-17.36247149 0.39639565 3.90455160
-0.00013144 0.00105731 -0.00067809
-0.02360359 -0.01927298 0.00676419
3.17374046 -21.34519725 11.81341733
-0.00032964 0.00002475 0.00070315
-0.01331757 0.01541571 0.01700626
3.71110743 -19.52607873 14.18364232
0.00111425 0.00132150 0.00031814
0.02189854 0.00439434 0.01732259
8.83468451 18.70371395 1.11364488
0.00054221 -0.00024657 -0.00024157
-0.01831690 0.00391308 0.00239502
8.60902035 21.75249534 2.04418570
0.00044633 0.00005438 0.00024762
-0.00209980 -0.02736914 -0.00342769
-11.25280421 11.71877757 16.51517101
-0.00082184 0.00043757 0.00049421
0.01737464 -0.00391759 0.02591390
-12.57230535 14.20304500 15.78430665
-0.00004843 0.00034969 0.00025509
-0.00425070 0.01181369 0.00482345
-5.15950477 0.14990216 -13.25470378
0.00004392 0.00034531 -0.00004483
-0.00920477 0.00955510 0.00030453
-6.69317158 0.51288468 -10.73247892
0.00028610 0.00012850 -0.00049651
0.00948389 0.02834496 -0.03700340
-6.89797721 6.35472978 -5.06286416
-0.00033491 -0.00002729 -0.00016704
0.00848408 -0.02627846 0.01795945
-9.11195647 8.04946312 -5.40513723
-0.00022554 0.00029364 0.00025719
-0.00349052 0.00029984 0.00226881
-8.12766396 -3.11610682 19.03328870
0.00079086 0.00080175 0.00033961
-0.00567207 0.01453274 0.02197047
-8.06922919 -5.97858766 18.44997041
-0.00098511 -0.00001549 0.00015162
-0.00936888 -0.02684157 0.01767350
-23.48875196 -3.49091320 -23.58485545
-0.00065021 -0.00019433 -0.00018676
-0.00073257 -0.02182391 0.02323516
-23.01416856 -5.06164343 -20.96023288
-0.00001863 -0.00017063 -0.00033882
0.00329738 0.01747721 0.00955759
6.99833207 13.24072835 4.28722933
0.00105404 -0.00006696 -0.00019744
-0.00892980 0.00178909 0.01220402
8.17014189 11.95281956 6.45377028
-0.00048208 0.00059918 -0.00020837
0.01180805 -0.01189631 0.01337093
24.91446685 28.84971497 -2.28387581
0.00010283 0.00087927 -0.00027943
-0.00167665 -0.00374019 -0.00200125
24.12722673 31.55688159 -1.66738235
0.00003068 -0.00002161 0.00032077
-0.01263731 0.01690944 0.01682438
9.21166946 -2.11743165 -15.30062369
-0.00040083 0.00046518 -0.00133409
0.00690362 0.00335648 -0.00715370
7.97631314 -1.92174174 -12.86406352
-0.00043019 -0.00148723 -0.00075914
-0.01098735 0.02503844 -0.03257172
-7.77700404 -0.18446401 15.90414525
-0.00015509 -0.00032158 -0.00089608
0.01825816 0.02627336 0.01801205
-8.76419099 -1.99282142 14.37260322
-0.00065475 -0.00004550 0.00101763
-0.01364752 -0.02953301 -0.01729562
-2.51765390 -26.71172403 12.90447758
0.00082061 -0.00035958 0.00041679
0.01130372 0.00256646 -0.01155333
-3.08347583 -25.91756808 10.12136112
0.00016981 0.00001222 -0.00068495
-0.01594905 0.00316231 -0.01994631
-14.71486512 -2.92647198 -6.26576857
-0.00027806 0.00003749 -0.00017423
0.00276247 0.01507972 0.00157254
-14.65112500 -4.69223605 -8.70686899
0.00061450 -0.00016817 0.00004752
0.00051315 0.00522020 0.00375222
-19.29772687 -11.19067102 -16.97979810
0.00002282 0.00103021 0.00020627
0.00127303 0.04082297 0.02433650
-18.30172918 -13.28704855 -18.09173418
0.00044053 0.00038505 0.00056838
-0.01451682 -0.02024606 -0.00628263
24.14773473 3.63391576 1.74507259
0.00021389 0.00090837 0.00067760
-0.02041395 -0.01771827 -0.00218243
22.97190833 5.17133215 3.80627812
0.00023179 0.00009265 -0.00016519
-0.01062799 -0.00836744 0.00716800
16.34575116 -10.04034836 -13.24056872
-0.00032329 0.00027489 0.00113924
-0.03318170 0.01404651 0.02494390
17.02177026 -10.11511656 -16.08833308
-0.00009584 -0.00023049 -0.00081409
0.00219031 0.00661243 0.00758718
-0.41825200 2.10385877 -7.95729160
0.00025728 -0.00065242 0.00052962
0.01143073 -0.00460130 -0.00387022
-2.27489736 -0.01047904 -7.04647077
-0.00019769 -0.00050962 0.00086778
0.00276543 -0.00099727 -0.01453977
-5.45002901 -3.93811067 -16.71174895
0.00031937 -0.00147610 -0.00039990
0.00026803 0.00164919 -0.00189756
-3.78101538 -1.56323803 -16.62585961
-0.00104152 0.00014309 -0.00010080
-0.00037608 -0.00048588 -0.00843905
12.50722119 18.82029493 -20.50317216
-0.00080291 -0.00001716 0.00056121
0.00567731 0.01760302 -0.00549537
11.88695921 16.19562801 -20.15701589
0.00024006 0.00011990 -0.00021908
0.02492953 0.00045692 0.00296278
-15.33914652 15.71476265 -13.70382980
-0.00085218 0.00025635 0.00101512
0.00950763 -0.00561846 -0.01696396
-17.51006300 15.08220520 -12.11660663
0.00063750 -0.00040343 0.00010286
-0.02443652 -0.01532972 -0.00230058
2.50243988 15.04353385 5.79866646
-0.00108556 0.00041156 -0.00026049
-0.00272731 -0.00539896 0.01887027
0.69910459 15.80260939 8.02365321
0.00083099 -0.00027574 -0.00150856
-0.00785376 0.00384389 0.00188482
-5.88032604 -8.18778342 1.30191529
-0.00009266 0.00143048 -0.00002668
0.00215764 -0.00855346 0.01001003
-3.58721496 -9.94094264 1.77323789
-0.00037604 -0.00127406 0.00050880
-0.00091265 0.00354574 -0.00135037
2.72886296 -4.73439978 2.90963388
0.00115540 0.00208863 0.00021236
0.00347818 0.00878576 0.00087544
4.47740439 -6.62692055 1.49174397
0.00003589 -0.00022742 0.00056606
0.00830434 -0.00124333 -0.00126822
9.31818352 5.72992621 3.89460869
-0.00002340 0.00041904 -0.00139812
-0.02284824 0.01543731 -0.00947526
12.05222739 6.34786047 4.72576257
-0.00018631 0.00009939 -0.00011369
-0.00039816 -0.00330858 0.00008692
-7.28388835 -10.95743808 -2.55186156
0.00057236 -0.00047177 0.00020993
-0.01910996 0.01498068 0.00240180
-9.62254741 -9.30647997 -1.49510389
0.00031556 -0.00042305 0.00048250
-0.00715696 -0.00528569 0.01634037
4.53326484 -16.40675490 -14.29369001
-0.00096765 0.00133799 -0.00018028
-0.01467741 0.01482432 -0.00194880
3.77680446 -17.00411541 -11.86529470
-0.00063479 0.00032877 -0.00092092
-0.00864864 -0.02059622 0.04111582
5.70891588 -6.84514209 -6.05599372
0.00004441 0.00048484 -0.00079090
-0.00814638 -0.01668995 0.00526838
4.98164233 -8.17435476 -3.66760059
-0.00029543 -0.00032293 -0.00010679
0.00160280 -0.00240191 0.03114992
16.89157553 1.76914609 24.71326283
0.00052939 0.00121712 0.00017911
-0.00551259 -0.00504064 -0.00272720
19.71062426 2.40839489 24.43961897
-0.00054090 0.00054913 -0.00075498
0.00377060 -0.00313352 0.00900245
-9.79287240 3.96020504 2.35110157
-0.00025163 0.00081424 -0.00003635
0.00225902 -0.02063491 -0.00742077
-7.37854830 4.50457613 0.95615463
0.00094490 -0.00072273 0.00014598
0.00284089 -0.00093375 -0.00693644
-6.29975385 14.18351179 -9.06797954
0.00068186 -0.00038137 0.00058648
-0.01978121 0.00545018 -0.02028340
-9.10460060 13.69350324 -9.50015179
-0.00049877 -0.00059924 0.00037805
-0.02611808 -0.00915987 0.01479849
0.42537503 10.90224354 -7.79630434
0.00074844 -0.00026703 0.00061127
-0.01060426 -0.00978792 -0.01206206
2.69206501 12.30650437 -7.64793529
0.00108676 -0.00032447 0.00080108
0.00649381 -0.00108415 -0.02114624
-10.21827658 9.13488407 -13.77614088
0.00030071 0.00022051 0.00023246
0.03033335 -0.02432802 0.00761701
-12.61352063 9.89955087 -12.40350044
-0.00052288 -0.00054172 0.00062764
-0.01770783 -0.01093219 0.03479097
7.32074336 6.26284815 14.70259818
0.00021066 0.00090435 -0.00159567
-0.01022274 -0.00193522 0.01574968
7.28975387 4.41251173 12.90515844
0.00043773 0.00043276 0.00044549
-0.00258916 -0.02554827 0.00256155
-13.69025896 10.54796476 -8.52731782
0.00057799 -0.00009391 0.00011033
-0.01231167 0.00014233 0.00397000
-16.20326048 9.88169739 -9.93002081
-0.00054356 -0.00002108 -0.00038454
-0.02533697 0.00700329 -0.00667002
8.24779621 9.96917208 -2.41096893
-0.00073795 0.00029151 -0.00063707
0.00940648 -0.02989695 -0.00287216
7.54663040 8.50426543 -4.67829271
0.00153198 -0.00010362 0.00055023
0.00439678 -0.01056937 0.01368421
12.11032774 -20.12397492 -26.38672908
-0.00016253 0.00057118 0.00072403
-0.02484526 0.00463334 -0.01103764
13.72177556 -20.15256679 -24.06063370
0.00037863 -0.00098720 0.00027142
0.00132352 0.00142942 0.00686602
5.86841174 4.93570319 2.34303623
0.00064863 0.00014705 -0.00153611
-0.01087870 -0.05499348 -0.00232308
6.41656363 7.27088241 0.83712498
0.00034781 -0.00048573 -0.00003069
0.00222783 -0.00281098 0.01518425
20.43787226 -6.42086559 -5.76748564
0.00024853 -0.00003170 0.00022125
0.01488446 -0.00854085 0.01281480
17.72628902 -5.27284743 -5.44385783
0.00024667 0.00002980 -0.00077629
0.00659329 0.00183227 -0.00899116
-2.52184244 0.42778692 -1.01395733
0.00136047 0.00009684 0.00013936
0.00965024 -0.01167675 -0.03109730
-2.49553416 0.96178842 -4.02381229
0.00033492 0.00013162 -0.00052305
0.01566719 -0.00033731 0.00929821
3.62969263 -3.25945660 -12.19444352
0.00023648 0.00010265 -0.00014390
-0.02472535 0.03127393 0.00176885
0.80844842 -2.62247077 -11.59899503
-0.00017245 -0.00115528 0.00007621
-0.03687550 -0.01552999 0.01703884
19.24747968 8.44699412 -6.51679636
-0.00117308 -0.00028722 -0.00045193
-0.00547714 -0.02376973 -0.03092624
21.75938838 8.61347868 -4.85828183
-0.00133166 0.00020059 -0.00075618
0.01064980 -0.01287734 0.00071799
-7.33831450 4.62429460 8.97547082
0.00065278 -0.00017149 0.00052834
0.00136164 0.00371466 0.00671152
-7.73115840 6.28078510 11.24374621
-0.00078758 0.00024590 -0.00071572
-0.00696838 -0.00163686 0.04323290
-3.20161868 -16.24930876 11.18943991
-0.00004608 0.00054325 -0.00104762
0.01169582 -0.01453776 -0.00310576
-4.17294284 -13.77269286 11.56904356
-0.00032220 -0.00040503 -0.00060983
-0.00765256 0.01485791 -0.00124554
8.52498759 0.56003963 -3.24361199
0.00053814 0.00011665 0.00019480
0.00884542 0.00507673 0.04503826
7.83941752 1.92100022 -5.76844745
0.00021041 -0.00156840 -0.00022251
-0.00042820 -0.01075497 0.00753639
1.04170320 -10.73680235 1.65692818
-0.00123131 -0.00044549 0.00026369
-0.00422570 -0.00730086 0.00629061
0.07371725 -8.39532255 0.32816743
-0.00020045 -0.00004566 -0.00033583
-0.00101124 -0.00930941 -0.01157049
-20.20549318 -1.44034714 6.67665739
-0.00030295 -0.00045206 0.00020160
0.00264264 0.00350225 -0.01846751
-21.30354163 0.27669828 4.45788108
0.00011915 -0.00054830 0.00021349
0.01700844 -0.01895797 0.00274746
-3.81435253 8.32556057 -25.34531599
0.00009268 -0.00026446 -0.00048654
-0.00626161 0.00197808 0.05168771
-4.55245893 8.90590726 -22.26744540
-0.00026058 -0.00106452 0.00016432
0.00758023 -0.00187714 -0.01852682
4.03383497 1.24194406 -0.90043389
0.00144824 0.00099926 0.00013293
0.02042717 -0.00837734 0.00057842
1.29309213 1.04475134 -1.68795273
-0.00000295 0.00010981 0.00092584
-0.00789218 0.01013904 -0.00559915
15.76758030 7.65715075 6.33670484
-0.00064812 0.00042188 -0.00085855
0.00387639 -0.00485396 0.02411117
15.88467206 8.97113691 3.93693804
0.00035935 0.00044114 -0.00029999
0.00823111 0.04638651 -0.02921908
-0.31082452 -11.82000548 -13.21186776
0.00014838 -0.00000976 0.00022503
0.01074918 0.00075273 -0.00108109
-13.94419783 14.45585115 22.22463917
-0.00002116 -0.00013126 0.00015467
0.00038190 -0.00186746 0.00249991
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03100622
0.32694357
435.63591649
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1338453218
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4480960001 (a.u.)
total exchange computation time: 2.6663410664 s
-154.6273635516
-931.35701027
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1338453218
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4468103030 (a.u.)
total exchange computation time: 2.6648678780 s
-154.6384347653
Anderson extrapolation: theta=1.3539501678 (1.3539501678)
-931.35724543
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1338453218
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4449420819 (a.u.)
total exchange computation time: 2.6649270058 s
-154.6542544552
Anderson extrapolation: theta=0.0553802061 (0.0553802061)
-931.35738625
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1338453218
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4447453499 (a.u.)
total exchange computation time: 2.6646609306 s
-154.6558042972
Anderson extrapolation: theta=2.0044554485 (2.0000000000)
-931.35739198
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1338453218
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4443363704 (a.u.)
total exchange computation time: 2.6650271416 s
-154.6590119566
Anderson extrapolation: theta=0.2324160896 (0.2324160896)
-931.35739829
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1338453218
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4442455691 (a.u.)
total exchange computation time: 2.6656849384 s
-154.6597168907
Anderson extrapolation: theta=1.7904397291 (1.7904397291)
-931.35739949
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1338453218
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4441145530 (a.u.)
total exchange computation time: 2.6661031246 s
-154.6607253938
Anderson extrapolation: theta=0.2819683736 (0.2819683736)
-931.35740075
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1338453218
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4441081173 (a.u.)
total exchange computation time: 2.6648290157 s
-154.6607651896
Anderson extrapolation: theta=1.2912054802 (1.2912054802)
-931.35740098
-164.175763 50.234549 -204.410270
-132.880045 460.663843 -801.057325
-297.055808 510.898392 -1005.467595
1166.286588
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0558139535
ExchangeOperator: pair fraction: ispin=0: 0.1338453218
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4441217456 (a.u.)
total exchange computation time: 2.6656849384 s
679.91285095
-1086.20453413
89.82046619
-387.42205012
-175.02001219
79.69449573
551.60419304
0.00000000
-931.35740104
-10.90695526 -4.28465871 6.66590692
0.00014635 -0.00014324 0.00000840
0.00982784 -0.01080083 0.03917912
-13.93340194 3.65045102 9.27082155
0.00019018 0.00028296 -0.00014322
-0.01902767 -0.00338701 0.01170609
-15.95067002 1.41954643 3.43425091
-0.00000696 0.00024804 0.00009195
0.01998833 0.02613127 -0.01776997
2.61746279 -19.83859486 12.82208739
0.00019417 -0.00010160 -0.00011525
-0.01132162 -0.01209644 -0.02193546
9.58240880 20.36040561 1.22448546
-0.00014484 0.00002299 0.00039477
0.01523239 0.02141479 -0.00598479
-12.10205906 12.55628683 15.20158275
-0.00011035 -0.00007728 0.00006523
-0.00068912 0.00843536 -0.03191476
-6.20109314 1.43662731 -12.45125502
0.00017403 -0.00021819 -0.00029031
-0.00720581 -0.02979996 0.04080244
-7.42969209 7.74898199 -6.01691784
-0.00004516 -0.00013870 -0.00027995
-0.01185739 0.02112510 -0.02496552
-7.76647131 -4.35119998 17.81395282
-0.00007877 -0.00009750 -0.00004176
0.01554810 0.00471328 -0.02688826
-23.57193871 -5.16247444 -22.66567840
-0.00018765 -0.00033488 -0.00024310
-0.00848650 0.01216639 -0.03492558
6.59941975 12.75950966 6.05142100
0.00001725 -0.00005311 -0.00002861
-0.00017495 0.01155000 -0.03562378
24.77485411 30.52743302 -2.97907126
0.00016572 0.00009616 -0.00020616
0.00547542 -0.00675399 -0.01667449
7.92171223 -0.99962603 -14.55127208
0.00001517 0.00035971 0.00009188
-0.00084168 -0.02950999 0.04951543
-7.35957414 -0.89556804 14.29323626
-0.00018708 0.00019760 -0.00028567
-0.00130469 0.00064494 -0.02058734
-1.72903905 -26.19333532 11.24793189
0.00018667 0.00008522 -0.00016817
-0.00099077 -0.01057762 0.02294719
-14.03332975 -4.44763325 -6.98453649
0.00014546 0.00017549 0.00005185
-0.00196514 -0.02550795 -0.01219414
-20.00594397 -12.65155447 -17.68858713
0.00005686 -0.00022050 0.00012362
0.01854677 -0.01027241 -0.01223648
22.76792848 3.52027173 3.00729480
0.00012224 -0.00016062 0.00003211
0.01941127 0.03490524 0.00731599
17.66183677 -10.32391118 -14.37297669
-0.00014289 -0.00037757 -0.00007088
0.02414143 -0.01024725 -0.03083382
-1.95969597 1.77860571 -7.02916844
0.00023333 -0.00012406 -0.00004175
-0.02402327 0.00235328 0.00034302
-4.30561401 -3.01159361 -15.64092010
-0.00021299 0.00015492 -0.00003720
-0.00236273 -0.00387640 0.00260177
13.40355749 17.31614676 -19.93870043
0.00012004 0.00011542 0.00033109
-0.02381919 -0.01777004 -0.00782891
-16.04193121 16.10855915 -12.09829932
0.00062274 0.00018379 -0.00000269
0.00951980 0.02599990 0.03716189
1.99677993 14.62176809 7.56965240
0.00045650 0.00032781 0.00015474
0.00225184 -0.00956801 -0.01860025
-5.36170054 -9.69400115 2.25882726
0.00000452 -0.00028216 0.00025328
0.00153917 0.01121738 -0.00856247
3.06903986 -6.51562676 2.65934851
-0.00005412 -0.00048656 0.00023937
-0.01360004 0.02010151 0.00513531
10.85311317 4.97424174 4.41498108
-0.00000912 0.00023975 -0.00001642
0.01255225 0.00320693 0.01715207
-8.53532215 -9.59742198 -2.90196207
-0.00006780 0.00036674 -0.00057398
0.02460609 -0.01627066 -0.01289317
3.15945898 -15.94441560 -13.13562480
0.00028059 -0.00009169 0.00017452
0.00709801 0.02050600 -0.04338650
4.78244562 -8.35995981 -5.41103888
-0.00011953 0.00025127 0.00054897
0.00485518 0.02269521 -0.04344559
18.54972429 0.98680879 24.65169869
-0.00004238 0.00007236 -0.00020093
-0.00175704 0.00551866 -0.00498004
-8.54331999 3.10294175 1.17587832
-0.00036911 -0.00001184 0.00012103
0.01080646 0.01436862 0.00083737
-7.64824354 14.21965002 -10.38035183
0.00040524 0.00000707 0.00023278
0.04132107 -0.00001013 0.01074123
1.70475284 11.43209101 -9.00291638
-0.00009512 0.00009452 -0.00006822
0.00834070 0.01614392 0.03525788
-11.66493708 10.12798777 -13.87130099
0.00027805 0.00026575 -0.00022686
-0.01766591 0.02819606 -0.02996124
6.89057432 4.44783110 14.73014892
-0.00043393 0.00013150 0.00002541
0.01942893 0.02411498 -0.02303215
-14.85284543 9.15321545 -9.02854335
-0.00028286 -0.00032472 0.00029929
0.03028785 -0.00207897 0.00063466
8.48993655 8.20285240 -3.09941900
-0.00012689 -0.00012455 -0.00014098
-0.00904493 0.04694262 0.00291900
13.78032243 -20.45617393 -25.88891950
0.00014480 -0.00007643 -0.00029125
0.01829174 -0.00271148 0.00915029
6.20155423 6.63960588 2.57641443
-0.00025443 0.00032816 -0.00007756
0.01233433 0.05185234 -0.01714331
19.02955999 -5.79344932 -6.67431268
-0.00047023 -0.00002595 -0.00014309
-0.01721772 0.00150308 0.00165358
-1.67539134 -0.05615743 -2.67916349
-0.00004171 -0.00022632 0.00008348
-0.02055459 0.00431462 0.04349067
2.32846907 -1.82198015 -12.09418099
0.00008891 0.00021514 0.00025572
0.07145323 -0.02011949 -0.02583986
20.15918732 9.35898439 -5.32293404
-0.00042213 0.00006952 -0.00005003
-0.01025638 0.03238300 0.01396315
-7.57183382 6.40277978 9.50649972
-0.00025240 -0.00015297 0.00020182
0.00167332 -0.00441568 -0.05013809
-2.55649610 -14.57083571 11.44494679
0.00019781 0.00002078 -0.00008961
-0.00879581 -0.00226708 0.00849448
8.12198119 0.25544595 -4.91134994
-0.00004428 -0.00011034 0.00003742
-0.00985225 -0.00117647 -0.04191392
-0.12554896 -10.24084832 0.32856451
-0.00010881 -0.00032926 -0.00021889
-0.00152186 0.01034746 0.00277831
-20.20975900 -1.23236671 4.77914365
-0.00027624 0.00041978 0.00002333
-0.01127216 0.00735249 0.01765342
-4.57045759 7.67987673 -23.63358452
0.00014109 0.00027583 -0.00009256
-0.00270436 -0.00442342 -0.02260335
2.58393731 2.25105766 -1.11064762
0.00005474 -0.00037888 0.00025390
0.00442185 0.00434274 -0.00823825
15.50825432 7.39459398 4.57986506
-0.00008766 -0.00033257 -0.00008370
-0.01290588 -0.03010093 -0.00737109
-9.60299250 -4.64829889 7.97287298
-0.00116655 0.00032237 0.00065737
-0.01891290 0.00657665 -0.02213285
-10.07773223 -4.06205700 5.06382432
0.00090971 -0.00123523 -0.00010597
0.01471314 -0.00604765 -0.00784823
-12.77788989 4.75269247 8.44570297
0.00069820 -0.00001356 -0.00082470
0.01095696 -0.00161869 -0.00901583
-13.84190636 1.90220103 8.58444072
-0.00033496 -0.00028819 -0.00037284
0.00825813 0.00811396 0.00085130
-15.44836508 2.13398209 5.02140137
-0.00062277 0.00018291 -0.00103370
0.00711710 -0.00189778 0.00703034
-17.36516637 0.41166473 3.89458760
-0.00023382 0.00097424 -0.00064854
-0.02651203 -0.02138945 0.00770011
3.16838781 -21.34435362 11.82448574
-0.00038017 0.00008134 0.00076855
-0.01141830 0.01228787 0.01500553
3.72849215 -19.50612151 14.18894526
0.00119080 0.00133564 0.00037144
0.01557379 0.00252340 0.00876869
8.84225638 18.70013537 1.11009475
0.00046592 -0.00023011 -0.00023129
-0.01902698 0.00414168 0.00263670
8.61565093 21.75247230 2.04779504
0.00043449 -0.00005529 0.00023563
-0.00369404 -0.02631309 -0.00244592
-11.26459939 11.72522105 16.52337817
-0.00074852 0.00041869 0.00060296
0.01851793 -0.00532332 0.02732166
-12.57316202 14.20865229 15.78828082
-0.00006452 0.00039171 0.00027143
-0.00362870 0.00876017 0.00317575
-5.15912799 0.15537466 -13.25536686
0.00001129 0.00037830 -0.00004734
-0.00677075 0.00659410 -0.00153637
-6.68858947 0.51568074 -10.74106047
0.00032390 0.00024279 -0.00064560
0.00901991 0.02759987 -0.03597794
-6.90274082 6.35351511 -5.06481948
-0.00029987 -0.00013585 -0.00009310
0.00866618 -0.02685880 0.01823581
-9.11544653 8.05387694 -5.40120982
-0.00023333 0.00029397 0.00026400
-0.00032082 -0.00013865 0.00106230
-8.11597492 -3.10363528 19.03905602
0.00077066 0.00085092 0.00041961
-0.00421328 0.00953685 0.01719393
-8.08429299 -5.97964256 18.45278622
-0.00102255 -0.00012121 0.00022281
-0.00895398 -0.02490864 0.01717756
-23.49852750 -3.49449692 -23.58694491
-0.00065284 -0.00028357 -0.00009211
-0.00055676 -0.02185792 0.02309995
-23.01434692 -5.06366737 -20.96502231
-0.00000475 -0.00009943 -0.00029936
0.00349487 0.01737566 0.00976077
7.01386905 13.23977872 4.28464166
0.00101476 -0.00006002 -0.00014408
-0.01030056 0.00161056 0.01391763
8.16327250 11.96144265 6.45105441
-0.00042358 0.00054471 -0.00014936
0.01682700 -0.01476601 0.01551711
24.91595797 28.86278939 -2.28812854
0.00009735 0.00085203 -0.00028370
-0.00100629 -0.00959265 -0.00009228
24.12729975 31.55707565 -1.66205524
-0.00001844 0.00004402 0.00038345
-0.01140927 0.01521518 0.01385828
9.20586857 -2.11035107 -15.32085419
-0.00037472 0.00048121 -0.00136062
0.00587494 0.00448798 -0.00583544
7.96952357 -1.94328289 -12.87644867
-0.00047427 -0.00138308 -0.00089232
-0.01058895 0.02594244 -0.03262329
-7.77877087 -0.18848259 15.89125599
-0.00008178 -0.00020760 -0.00081157
0.01762670 0.02951830 0.02335879
-8.77443049 -1.99440888 14.38733763
-0.00070206 -0.00016068 0.00094497
-0.00951169 -0.02685159 -0.01826890
-2.50499831 -26.71703903 12.91037537
0.00086594 -0.00034759 0.00036535
0.01088464 0.00330177 -0.01362696
-3.08141748 -25.91728791 10.11047565
0.00010910 0.00002371 -0.00076086
-0.01376799 0.00246290 -0.01721442
-14.71895140 -2.92544748 -6.26833377
-0.00026697 0.00009946 -0.00016764
0.00266736 0.01525304 0.00165107
-14.64189176 -4.69459868 -8.70604125
0.00061605 -0.00014650 0.00006123
0.00024704 0.00538829 0.00295860
-19.29734552 -11.17396695 -16.97595832
0.00002017 0.00117943 0.00029660
-0.00257264 0.03222101 0.01988096
-18.29556609 -13.28189326 -18.08340104
0.00038044 0.00030304 0.00054281
-0.01489812 -0.01989721 -0.00623181
24.15031749 3.64699835 1.75516977
0.00013319 0.00083432 0.00066536
-0.01908580 -0.01852705 -0.00381085
22.97505957 5.17246555 3.80401990
0.00018680 0.00005681 -0.00013538
-0.01139740 -0.00917954 0.00742495
16.33988496 -10.03579454 -13.22271574
-0.00044409 0.00032974 0.00122640
-0.02594665 0.01279979 0.01772042
17.02039984 -10.11837135 -16.10031194
-0.00008522 -0.00020400 -0.00077310
0.00300493 0.00635764 0.01247985
-0.41404253 2.09393143 -7.94946593
0.00030896 -0.00067055 0.00051090
0.01386781 -0.00427003 -0.00528984
-2.27777791 -0.01815391 -7.03389956
-0.00018469 -0.00050673 0.00080752
0.00359612 0.00241221 -0.01496132
-5.44523018 -3.96020162 -16.71780565
0.00032751 -0.00146288 -0.00040103
0.00371610 0.00482025 0.00134612
-3.79664972 -1.56110662 -16.62763014
-0.00104234 0.00014332 -0.00013722
-0.00002512 0.00059960 -0.00938904
12.49535152 18.82057695 -20.49492245
-0.00077705 0.00005327 0.00053996
0.00698031 0.01687147 -0.00490704
11.89132396 16.19744059 -20.16021125
0.00034136 0.00011985 -0.00020664
0.02465779 -0.00048201 0.00312371
-15.35163781 15.71843572 -13.68912286
-0.00080117 0.00022898 0.00092196
0.01546023 -0.00778059 -0.02863895
-17.50124924 15.07568402 -12.11513416
0.00054226 -0.00046140 0.00009540
-0.02218801 -0.01305004 -0.00135217
2.48607297 15.04954183 5.79533732
-0.00109282 0.00038725 -0.00018465
-0.00082841 -0.00650341 0.01825459
0.71132873 15.79859109 8.00108254
0.00078505 -0.00024907 -0.00149303
-0.01463439 0.00921018 0.00571737
-5.88164983 -8.16658833 1.30182184
-0.00007651 0.00137796 0.00002445
0.00574953 -0.01715640 0.01502007
-3.59288360 -9.95994486 1.78082847
-0.00037611 -0.00125825 0.00050092
0.00088035 0.00419412 -0.00250532
2.74630055 -4.70280105 2.91284613
0.00117377 0.00209165 0.00021258
0.00551365 -0.00730981 -0.00076966
4.47819718 -6.63036989 1.50019607
0.00007187 -0.00023420 0.00055919
0.00930798 -0.00207697 -0.00209826
9.31713242 5.73668491 3.87334651
-0.00010892 0.00047828 -0.00143346
-0.01901532 0.01355801 -0.00782260
12.04942054 6.34924994 4.72405982
-0.00018591 0.00008850 -0.00011255
0.00059375 -0.00202372 0.00047310
-7.27588850 -10.96405555 -2.54863904
0.00048602 -0.00040039 0.00021525
-0.02315709 0.01995980 0.00020462
-9.61803335 -9.31298762 -1.48736574
0.00029038 -0.00044484 0.00054223
-0.00516745 -0.00538396 0.01289830
4.51830031 -16.38623082 -14.29645386
-0.00101646 0.00139417 -0.00019599
-0.00921654 0.01267925 -0.00574248
3.76701759 -16.99981505 -11.87784856
-0.00066069 0.00023019 -0.00073731
-0.00402874 -0.02765622 0.04876368
5.70933233 -6.83838093 -6.06769577
0.00000732 0.00041024 -0.00076324
-0.01000542 -0.01982886 0.00826955
4.97726000 -8.17927227 -3.66824788
-0.00028662 -0.00032986 0.00003240
0.00271175 -0.00099300 0.03698498
16.89934751 1.78724846 24.71586594
0.00050520 0.00119397 0.00016844
-0.00633104 -0.00629206 -0.00249947
19.70262623 2.41653585 24.42857020
-0.00052420 0.00053356 -0.00071773
0.00440648 -0.00448744 0.00922699
-9.79657758 3.97178626 2.35032886
-0.00024103 0.00072941 -0.00006710
0.00292588 -0.02089027 -0.00762998
-7.36428781 4.49370650 0.95813175
0.00095229 -0.00072959 0.00011832
0.00077955 -0.00242407 -0.00660129
-6.29013217 14.17795825 -9.05980390
0.00059693 -0.00035891 0.00050071
-0.02178918 0.00554506 -0.02169944
-9.11288255 13.68423395 -9.49402756
-0.00058937 -0.00063124 0.00042973
-0.01823135 -0.00650236 0.01049735
0.43627672 10.89793820 -7.78750491
0.00070430 -0.00030690 0.00056173
-0.01100428 -0.00972929 -0.01218964
2.70856547 12.30160409 -7.63656705
0.00110670 -0.00033350 0.00070653
0.00326506 -0.00333534 -0.02513743
-10.21283637 9.13744627 -13.77242055
0.00042261 0.00012242 0.00026341
0.02933585 -0.02368949 0.00753016
-12.62190646 9.89109011 -12.39301972
-0.00058195 -0.00058335 0.00074820
-0.01120826 -0.00944919 0.02422225
7.32359005 6.27635404 14.67914573
0.00016519 0.00088814 -0.00152878
-0.01203558 -0.00599908 0.01699456
7.29624042 4.41822031 12.91191932
0.00042686 0.00032555 0.00045145
-0.00272868 -0.02693586 0.00035436
-13.68196631 10.54656047 -8.52554124
0.00052241 -0.00009818 0.00012474
-0.01489619 -0.00223207 0.00308336
-16.21219031 9.88159583 -9.93599329
-0.00063696 0.00000243 -0.00040512
-0.02038003 0.00450215 -0.00340641
8.23701517 9.97262853 -2.42061301
-0.00069837 0.00016667 -0.00064765
0.00996840 -0.03120938 -0.00230411
7.56974486 8.50238718 -4.66961991
0.00153913 -0.00014610 0.00058775
-0.00089581 -0.01022429 0.00468113
12.10712851 -20.11526523 -26.37620692
-0.00026068 0.00058974 0.00067944
-0.02320103 0.00445211 -0.01078569
13.72749563 -20.16733102 -24.05635207
0.00038459 -0.00098170 0.00029379
0.00159291 0.00126643 0.00408467
5.87780781 4.93622372 2.31992341
0.00060538 -0.00007266 -0.00154248
-0.01028971 -0.05255297 -0.00079430
6.42184899 7.26351028 0.83712988
0.00035730 -0.00049219 0.00002781
0.00242001 -0.00035067 0.01345575
20.44205628 -6.42160275 -5.76377417
0.00029784 -0.00006151 0.00026649
0.00925247 -0.00605529 0.00932874
17.73019105 -5.27234432 -5.45577766
0.00026470 0.00004051 -0.00080458
0.00223601 0.00341085 -0.00485659
-2.50113965 0.42888173 -1.01281990
0.00139540 0.00005071 0.00001541
0.00744840 -0.01090533 -0.02957723
-2.49003032 0.96375238 -4.03137306
0.00040065 0.00012829 -0.00048026
0.01650770 -0.00128995 0.01164842
3.63248213 -3.25695859 -12.19654784
0.00013489 0.00023216 -0.00013632
-0.02500422 0.03212196 0.00194215
0.80473172 -2.64027584 -11.59732975
-0.00031249 -0.00121225 0.00014202
-0.03167397 -0.01235829 0.01517535
19.22971570 8.44195737 -6.52452300
-0.00118645 -0.00037479 -0.00056651
-0.00107032 -0.01909394 -0.02516304
21.73973980 8.61609297 -4.86960246
-0.00127438 0.00014123 -0.00074932
0.01739058 -0.01618087 0.00263958
-7.32848101 4.62183603 8.98360162
0.00065788 -0.00015598 0.00055545
0.00113267 0.00387868 0.00655976
-7.74318560 6.28442344 11.23433514
-0.00081831 0.00023833 -0.00052230
-0.00807412 -0.00206870 0.05145040
-3.20195153 -16.24160543 11.17363046
0.00000149 0.00047911 -0.00106093
0.01159058 -0.01685934 -0.00340924
-4.17801038 -13.77831297 11.55985791
-0.00034945 -0.00034485 -0.00061506
-0.00568634 0.01460048 -0.00131123
8.53333081 0.56194493 -3.23930987
0.00057249 0.00013662 0.00036983
0.00796483 0.00470005 0.04063831
7.84256049 1.89714459 -5.77155420
0.00020680 -0.00159932 -0.00019672
-0.00133697 -0.00437684 0.00508913
1.02310412 -10.74370848 1.66107630
-0.00124479 -0.00047599 0.00029247
-0.00237499 -0.00762814 0.00779719
0.07067945 -8.39629276 0.32277538
-0.00020462 -0.00008750 -0.00038259
-0.00102851 -0.01116903 -0.01131679
-20.20995653 -1.44702075 6.67911550
-0.00029218 -0.00043629 0.00012402
0.00263098 0.00421688 -0.01950756
-21.30123317 0.26789277 4.46116769
0.00018087 -0.00061572 0.00022291
0.01320310 -0.01404147 0.00185993
-3.81315420 8.32165430 -25.35103021
0.00006750 -0.00025448 -0.00027409
-0.00606531 0.00290754 0.05230933
-4.55613535 8.88988192 -22.26554827
-0.00022863 -0.00106374 0.00009569
0.00806082 0.00226071 -0.01507086
4.05618454 1.25667624 -0.89842221
0.00152318 0.00096748 0.00013320
0.01625391 -0.00717845 -0.00044754
1.29280603 1.04670924 -1.67423677
-0.00003607 0.00014509 0.00090093
-0.00832195 0.00712671 -0.00659250
15.75797725 7.66333019 6.32456541
-0.00063077 0.00040316 -0.00074750
0.00461831 -0.00430703 0.03024813
15.89031454 8.97917543 3.93154277
0.00038843 0.00061233 -0.00041267
0.00600547 0.03741022 -0.02593670
-0.30856999 -11.82014985 -13.20849528
0.00015221 -0.00000949 0.00022464
0.01063839 0.00075255 -0.00107820
-13.94451454 14.45387898 22.22696364
-0.00002104 -0.00013168 0.00015526
0.00064464 -0.00174801 0.00255379
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03056041
0.32684064
435.49876012
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4372700764 (a.u.)
total exchange computation time: 2.6089060307 s
-154.5876559545
-931.35492705
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4360784000 (a.u.)
total exchange computation time: 2.6051299572 s
-154.5978551243
Anderson extrapolation: theta=1.3736495536 (1.3736495536)
-931.35515665
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4343026394 (a.u.)
total exchange computation time: 2.6063728333 s
-154.6126889142
Anderson extrapolation: theta=0.0610896945 (0.0610896945)
-931.35529789
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4340936525 (a.u.)
total exchange computation time: 2.6057560444 s
-154.6142411155
Anderson extrapolation: theta=2.0996725220 (2.0000000000)
-931.35530471
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4336589543 (a.u.)
total exchange computation time: 2.6074378490 s
-154.6174118043
Anderson extrapolation: theta=0.2813264661 (0.2813264661)
-931.35531320
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4335440430 (a.u.)
total exchange computation time: 2.6057620049 s
-154.6182043757
Anderson extrapolation: theta=1.4469503464 (1.4469503464)
-931.35531526
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4334114925 (a.u.)
total exchange computation time: 2.6073269844 s
-154.6190689355
Anderson extrapolation: theta=0.3493028696 (0.3493028696)
-931.35531749
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4333984649 (a.u.)
total exchange computation time: 2.6066191196 s
-154.6191002046
Anderson extrapolation: theta=1.0735937947 (1.0735937947)
-931.35531820
-164.199267 50.255167 -204.385836
-132.864482 460.692133 -801.107710
-297.063748 510.947300 -1005.493546
1166.332408
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4334091680 (a.u.)
total exchange computation time: 2.6088278294 s
679.74785042
-1085.85280226
89.83529274
-387.65981994
-174.99243057
79.50408961
551.60419304
0.00000000
-931.35531878
-10.90472204 -4.28684898 6.66618402
0.00015081 -0.00014845 0.00002733
0.00749920 -0.00945796 0.03442078
-13.93062266 3.65468239 9.26871840
0.00018114 0.00028111 -0.00013798
-0.01610191 -0.00380808 0.00868650
-15.95069736 1.42336779 3.43556158
0.00000317 0.00026084 0.00008045
0.01943078 0.02366187 -0.02693962
2.62033163 -19.84016549 12.82027402
0.00018940 -0.00010629 -0.00012369
-0.00721491 -0.00614213 -0.01088513
9.58029502 20.36083307 1.23038393
-0.00013641 0.00003342 0.00039129
0.01751890 0.01913481 -0.00753417
-12.10371697 12.55516011 15.20243808
-0.00011098 -0.00007195 0.00004909
-0.00176604 0.01229696 -0.03082551
-6.19851044 1.43323958 -12.45545228
0.00016977 -0.00023241 -0.00026923
-0.00937053 -0.02549958 0.04118003
-7.43041518 7.74698301 -6.02121337
-0.00005198 -0.00012787 -0.00029235
-0.01465936 0.02096969 -0.02327282
-7.76759291 -4.35264435 17.81322271
-0.00007131 -0.00009438 -0.00005405
0.01346190 0.00744429 -0.02092353
-23.57478615 -5.16745077 -22.66945958
-0.00019201 -0.00032872 -0.00026083
-0.00849431 0.01180931 -0.03401201
6.59967790 12.75875763 6.05085443
0.00001629 -0.00004650 -0.00004774
-0.00357206 0.01413433 -0.03877723
24.77736099 30.52884931 -2.98222802
0.00016799 0.00009475 -0.00021433
0.00336507 0.00126680 -0.01509682
7.92193653 -0.99434428 -14.54970291
0.00001499 0.00034402 0.00011674
0.00013359 -0.03147391 0.04717694
-7.36238541 -0.89260153 14.28887174
-0.00018883 0.00019635 -0.00029707
-0.00550086 -0.00552176 -0.02373778
-1.72624284 -26.19209777 11.24549782
0.00018557 0.00007982 -0.00015674
-0.00329863 -0.01044970 0.02149640
-14.03115537 -4.44509925 -6.98380573
0.00014448 0.00016236 0.00004583
-0.00185348 -0.02554316 -0.01120880
-20.00501951 -12.65490152 -17.68677997
0.00006737 -0.00022346 0.00011850
0.02231979 -0.00127520 -0.00767169
22.76983694 3.51799704 3.00780470
0.00013197 -0.00014224 0.00003629
0.01842236 0.03656067 0.00892380
17.65978661 -10.32961429 -14.37415883
-0.00013264 -0.00038237 -0.00008585
0.01571895 -0.00842683 -0.02737883
-1.95628868 1.77675386 -7.02979339
0.00022023 -0.00012380 -0.00004119
-0.02693383 -0.00134888 0.00185572
-4.30881799 -3.00928471 -15.64146807
-0.00021509 0.00015187 -0.00003643
-0.00579137 -0.00799737 0.00039087
13.40526622 17.31780946 -19.93376434
0.00010760 0.00010686 0.00032683
-0.02455157 -0.01549764 -0.00873954
-16.03255336 16.11141628 -12.09819630
0.00062547 0.00019698 0.00001906
0.00109344 0.02528110 0.04742051
2.00363610 14.62664831 7.57190180
0.00045888 0.00032179 0.00014451
0.00700266 -0.01383802 -0.02120959
-5.36162682 -9.69819023 2.26259338
0.00000405 -0.00027457 0.00024806
-0.00336870 0.01828029 -0.01170251
3.06817564 -6.52284759 2.66295888
-0.00006178 -0.00047233 0.00024249
-0.01619661 0.03522941 0.00700337
10.85302478 4.97785029 4.41480102
-0.00000420 0.00024165 -0.00000817
0.00657726 0.00421029 0.01489933
-8.53624425 -9.59198360 -2.91062143
-0.00005491 0.00035728 -0.00057904
0.02552944 -0.02054266 -0.00679738
3.16369524 -15.94571190 -13.13317439
0.00028171 -0.00007882 0.00015150
-0.00273922 0.02953541 -0.04612479
4.78067146 -8.35610316 -5.40297188
-0.00011691 0.00026327 0.00052475
0.00530807 0.02396794 -0.05074577
18.54908188 0.98791543 24.64866555
-0.00004326 0.00007579 -0.00020350
-0.00168137 0.00784515 -0.00500341
-8.54881493 3.10281958 1.17769694
-0.00036313 -0.00000410 0.00012129
0.01245296 0.01570963 0.00020120
-7.64200549 14.21975597 -10.37681867
0.00042476 0.00000627 0.00023964
0.03456859 -0.00306835 0.01593478
1.70335826 11.43357106 -9.00380361
-0.00008994 0.00010334 -0.00004914
0.01178944 0.01815473 0.03890467
-11.66083447 10.13208272 -13.87481952
0.00026785 0.00027942 -0.00023948
-0.02201812 0.02496258 -0.01908200
6.88414035 4.44989660 14.73044127
-0.00042351 0.00014514 0.00001383
0.02107232 0.02891713 -0.02201805
-14.85697156 9.14833666 -9.02405161
-0.00026799 -0.00032448 0.00029890
0.02754754 0.00302154 -0.00211641
8.48799826 8.20116523 -3.10152238
-0.00013022 -0.00010046 -0.00013712
-0.00387138 0.04672921 0.01206546
13.78256494 -20.45733089 -25.89325295
0.00015350 -0.00007762 -0.00028587
0.01553558 -0.00189599 0.01174922
6.19778542 6.64472835 2.57518489
-0.00024836 0.00035294 -0.00008634
0.01125403 0.04448152 -0.01700399
19.02244017 -5.79383278 -6.67645259
-0.00047629 -0.00002631 -0.00014250
-0.00637780 -0.00290839 0.00062460
-1.67609625 -0.05953555 -2.67774346
-0.00005187 -0.00022409 0.00010471
-0.01896041 0.00434051 0.03906109
2.33007831 -1.81883060 -12.09044479
0.00012390 0.00020374 0.00024287
0.06462360 -0.02424587 -0.02416398
20.15281575 9.36015215 -5.32363061
-0.00043028 0.00008567 -0.00004492
-0.02141293 0.03041446 0.00588424
-7.57561333 6.40046828 9.50933367
-0.00025120 -0.00015518 0.00017456
0.00299673 -0.00419024 -0.05588693
-2.55356294 -14.57053279 11.44363535
0.00019267 0.00002019 -0.00008515
-0.01118303 -0.00003370 0.00885024
8.12127904 0.25378628 -4.91095039
-0.00004875 -0.00011257 0.00001822
-0.00755052 -0.00750021 -0.03273095
-0.12718695 -10.24574734 0.32529191
-0.00010997 -0.00032351 -0.00021786
-0.00298875 0.01200304 0.00123184
-20.21394601 -1.22604157 4.77956162
-0.00028088 0.00042185 0.00003286
-0.00677200 0.00069341 0.01942097
-4.56835172 7.68399708 -23.63506016
0.00013946 0.00027221 -0.00010513
-0.00362331 -0.00965392 -0.02628027
2.58477554 2.24539115 -1.10687096
0.00005845 -0.00037633 0.00025013
0.00999120 0.00560199 -0.00639697
15.50688967 7.38948933 4.57858112
-0.00009377 -0.00034559 -0.00008981
-0.01086223 -0.02054237 -0.01639479
-9.62107024 -4.64326185 7.98205527
-0.00123749 0.00034762 0.00057166
-0.01581706 0.00578684 -0.01981960
-10.06363574 -4.08077080 5.06199426
0.00096784 -0.00126065 -0.00013284
0.01374221 -0.00639546 -0.00530233
-12.76708112 4.75243949 8.43305621
0.00073732 -0.00002523 -0.00085780
0.00819037 -0.00409301 -0.00718896
-13.84667765 1.89812686 8.57887415
-0.00030152 -0.00024921 -0.00036653
0.00810682 0.01096715 0.00223875
-15.45748861 2.13666764 5.00611129
-0.00058827 0.00018326 -0.00098741
0.00977193 0.00206923 0.01562817
-17.36948608 0.42562294 3.88509550
-0.00034610 0.00088411 -0.00061582
-0.02844897 -0.02273035 0.00831304
3.16233537 -21.34275693 11.83647378
-0.00042242 0.00012396 0.00082474
-0.00926337 0.00857173 0.01250235
3.74683132 -19.48600965 14.19478561
0.00124140 0.00134171 0.00038999
0.00919505 0.00045032 0.00030837
8.84866215 18.69681062 1.10670622
0.00038715 -0.00021235 -0.00022007
-0.01953195 0.00455443 0.00285671
8.62205511 21.75083663 2.05125447
0.00041579 -0.00015963 0.00022809
-0.00546222 -0.02475950 -0.00124424
-11.27525968 11.73133828 16.53325977
-0.00067188 0.00039543 0.00071538
0.01899474 -0.00606505 0.02770984
-12.57424108 14.21479645 15.79244963
-0.00007799 0.00042092 0.00028089
-0.00296535 0.00553359 0.00145199
-5.15916617 0.16125129 -13.25612409
-0.00001095 0.00039871 -0.00005771
-0.00411216 0.00339696 -0.00353848
-6.68345457 0.52016830 -10.75184697
0.00035957 0.00035338 -0.00078946
0.00844004 0.02653660 -0.03443937
-6.90697331 6.35065438 -5.06565719
-0.00026500 -0.00024440 -0.00001962
0.00840249 -0.02627982 0.01773283
-9.11895625 8.05828225 -5.39721731
-0.00022833 0.00029245 0.00026589
0.00276596 -0.00060455 -0.00013818
-8.10454410 -3.09057925 19.04587710
0.00075638 0.00087883 0.00047929
-0.00277601 0.00412439 0.01202047
-8.09990555 -5.98222401 18.45665479
-0.00105771 -0.00021677 0.00029105
-0.00826080 -0.02186850 0.01622286
-23.50833717 -3.49942022 -23.58761867
-0.00065473 -0.00037169 0.00000112
-0.00037006 -0.02127906 0.02253721
-23.01431110 -5.06462643 -20.96921355
0.00000956 -0.00002889 -0.00026015
0.00351149 0.01715820 0.00942896
7.02877474 13.23892780 4.28290695
0.00097016 -0.00005364 -0.00008464
-0.01152996 0.00151288 0.01518005
8.15743437 11.96916078 6.44928953
-0.00034574 0.00047919 -0.00008198
0.02127766 -0.01730596 0.01746374
24.91738742 28.87527591 -2.29238692
0.00009459 0.00080103 -0.00028011
-0.00034784 -0.01537205 0.00185183
24.12667354 31.55820218 -1.65587881
-0.00006198 0.00010180 0.00043283
-0.00990371 0.01306980 0.01031341
9.20042774 -2.10299544 -15.34144233
-0.00035313 0.00050205 -0.00138143
0.00469544 0.00571268 -0.00434872
7.96208504 -1.96323412 -12.89083318
-0.00051667 -0.00127620 -0.00102411
-0.01016820 0.02637550 -0.03188658
-7.77945743 -0.19069210 15.87979830
-0.00001104 -0.00008173 -0.00070693
0.01700248 0.03209619 0.02786120
-8.78525293 -1.99764197 14.40095241
-0.00073129 -0.00026366 0.00086866
-0.00479319 -0.02355731 -0.01908577
-2.49167565 -26.72215168 12.91543802
0.00090910 -0.00033285 0.00030629
0.01024239 0.00391250 -0.01528041
-3.08020291 -25.91685681 10.09853518
0.00005845 0.00003212 -0.00082463
-0.01102365 0.00165624 -0.01400015
-14.72287421 -2.92348817 -6.27079779
-0.00025584 0.00016122 -0.00016113
0.00277964 0.01497801 0.00153715
-14.63264338 -4.69663107 -8.70503220
0.00061643 -0.00012424 0.00007138
-0.00006364 0.00551078 0.00201017
-19.29712183 -11.15528817 -16.97090011
0.00000183 0.00129210 0.00036822
-0.00640582 0.02293409 0.01517643
-18.29031606 -13.27795739 -18.07544984
0.00031919 0.00022269 0.00051750
-0.01508400 -0.01943333 -0.00615789
24.15173055 3.65894548 1.76503339
0.00005858 0.00075732 0.00064605
-0.01743900 -0.01916812 -0.00564125
22.97751231 5.17303637 3.80221673
0.00013888 0.00001820 -0.00010437
-0.01206012 -0.00971832 0.00775204
16.33242860 -10.03045626 -13.20377675
-0.00053430 0.00037908 0.00128299
-0.01821388 0.01135277 0.00997899
17.01921358 -10.12123651 -16.11152595
-0.00007164 -0.00017848 -0.00071325
0.00364627 0.00613609 0.01681716
-0.40898314 2.08374241 -7.94196445
0.00036979 -0.00068740 0.00048694
0.01590858 -0.00397880 -0.00644292
-2.28043807 -0.02568093 -7.02224528
-0.00016845 -0.00049023 0.00074556
0.00435184 0.00566499 -0.01536836
-5.44020360 -3.98199717 -16.72377985
0.00034924 -0.00143679 -0.00038916
0.00691989 0.00795146 0.00446536
-3.81228559 -1.55893847 -16.62997608
-0.00104184 0.00014769 -0.00017727
0.00026939 0.00154149 -0.01021904
12.48390966 18.82189296 -20.48697348
-0.00074568 0.00011997 0.00052133
0.00837661 0.01578168 -0.00421256
11.89719989 16.19922362 -20.16321518
0.00044060 0.00011551 -0.00019374
0.02392032 -0.00164299 0.00319300
-15.36318160 15.72163194 -13.67617109
-0.00072671 0.00019282 0.00078192
0.02098877 -0.00991641 -0.03991220
-17.49379531 15.06836306 -12.11374456
0.00045777 -0.00050890 0.00009173
-0.01916730 -0.01019983 -0.00044569
2.46965530 15.05515123 5.79312694
-0.00109203 0.00035865 -0.00011217
0.00121572 -0.00749243 0.01722601
0.72265599 15.79513724 7.97886226
0.00071180 -0.00020089 -0.00146227
-0.02121796 0.01437383 0.00933924
-5.88262124 -8.14644469 1.30264890
-0.00004667 0.00129250 0.00009441
0.00885741 -0.02467483 0.01922363
-3.59849829 -9.97869003 1.78826551
-0.00036890 -0.00123986 0.00048839
0.00264722 0.00480388 -0.00362697
2.76407605 -4.67165032 2.91601121
0.00119896 0.00203294 0.00020677
0.00681897 -0.02142682 -0.00207356
4.47956042 -6.63394652 1.50851957
0.00011141 -0.00024427 0.00054935
0.01004659 -0.00285361 -0.00271766
9.31491594 5.74427452 3.85160492
-0.00017744 0.00052915 -0.00146132
-0.01452457 0.01134415 -0.00581707
12.04665008 6.35051539 4.72238605
-0.00018132 0.00008303 -0.00010984
0.00165397 -0.00065489 0.00085468
-7.26930786 -10.96944975 -2.54540399
0.00038484 -0.00031042 0.00021186
-0.02636731 0.02408300 -0.00186560
-9.61383598 -9.31982523 -1.47883711
0.00027381 -0.00046702 0.00058690
-0.00294585 -0.00547009 0.00896970
4.50277094 -16.36492967 -14.29956965
-0.00104213 0.00144135 -0.00022783
-0.00334553 0.01041434 -0.00984590
3.75698383 -16.99720964 -11.88741388
-0.00066872 0.00010311 -0.00052362
0.00009500 -0.03455045 0.05583586
5.70913560 -6.83283501 -6.07889101
-0.00003659 0.00032409 -0.00072375
-0.01148924 -0.02233828 0.01106216
4.97304386 -8.18425064 -3.66662851
-0.00027356 -0.00033143 0.00019244
0.00367862 0.00022662 0.04135589
16.90673148 1.80496522 24.71831588
0.00047802 0.00116566 0.00015871
-0.00697323 -0.00756583 -0.00226062
19.69489826 2.42440180 24.41808692
-0.00050489 0.00051256 -0.00067963
0.00504728 -0.00579301 0.00942439
-9.80010343 3.98208720 2.34908853
-0.00022801 0.00064393 -0.00009832
0.00345190 -0.02094949 -0.00764978
-7.34997954 4.48268832 0.95970430
0.00095109 -0.00074244 0.00009213
-0.00136906 -0.00386440 -0.00621949
-6.28184587 14.17274455 -9.05295814
0.00050518 -0.00033609 0.00041046
-0.02312572 0.00562693 -0.02247864
-9.12228184 13.67456616 -9.48726000
-0.00064717 -0.00065206 0.00046356
-0.01006124 -0.00369058 0.00606322
0.44650399 10.89303660 -7.77945254
0.00065881 -0.00034638 0.00051170
-0.01126152 -0.00959835 -0.01229639
2.72526603 12.29649940 -7.62673938
0.00111394 -0.00035096 0.00059690
0.00027876 -0.00521235 -0.02852612
-10.20559828 9.13855663 -13.76823873
0.00053768 0.00002877 0.00029377
0.02699150 -0.02215204 0.00733434
-12.63097921 9.88205024 -12.38105451
-0.00061422 -0.00061862 0.00082536
-0.00458655 -0.00781319 0.01355068
7.32569911 6.28949228 14.65673482
0.00011251 0.00085625 -0.00145700
-0.01375324 -0.00960957 0.01814077
7.30255974 4.42227810 12.91870192
0.00041561 0.00021303 0.00044836
-0.00278167 -0.02814012 -0.00186562
-13.67458659 10.54501939 -8.52357569
0.00045679 -0.00011152 0.00013580
-0.01722520 -0.00429818 0.00233054
-16.22236915 9.88177020 -9.94217454
-0.00070939 0.00001522 -0.00041181
-0.01507695 0.00176209 0.00013460
8.22684505 9.97417227 -2.43039831
-0.00065679 0.00003802 -0.00065536
0.01038571 -0.03176600 -0.00147175
7.59280441 8.49988233 -4.66066023
0.00152408 -0.00018673 0.00058672
-0.00647364 -0.00966262 -0.00518510
12.10250738 -20.10628269 -26.36634577
-0.00034990 0.00060706 0.00063653
-0.02047094 0.00402575 -0.01022023
13.73331332 -20.18201765 -24.05182010
0.00039154 -0.00097678 0.00030461
0.00180649 0.00113794 0.00121480
5.88657326 4.93352347 2.29676191
0.00056533 -0.00027756 -0.00154172
-0.00931730 -0.04774672 0.00116364
6.42728267 7.25611667 0.83795942
0.00036767 -0.00048838 0.00007833
0.00265303 0.00221841 0.01127400
20.44680735 -6.42271101 -5.75949098
0.00032365 -0.00008106 0.00029725
0.00338447 -0.00351204 0.00572681
17.73423011 -5.27163217 -5.46799513
0.00026428 0.00005800 -0.00081532
-0.00244091 0.00515326 -0.00040331
-2.47998037 0.42930819 -1.01349514
0.00142077 0.00000822 -0.00010078
0.00496894 -0.00989232 -0.02729570
-2.48351477 0.96563727 -4.03821994
0.00046943 0.00012145 -0.00042850
0.01716044 -0.00205881 0.01368560
3.63373922 -3.25249194 -12.19853312
0.00003347 0.00036367 -0.00012811
-0.02464197 0.03225541 0.00207682
0.79907385 -2.65883830 -11.59473443
-0.00042955 -0.00125509 0.00019970
-0.02563170 -0.00861360 0.01305834
19.21188612 8.43575043 -6.53379178
-0.00118114 -0.00044255 -0.00065656
0.00367282 -0.01407702 -0.01891578
21.72115703 8.61771559 -4.88076131
-0.00119026 0.00006873 -0.00073489
0.02378427 -0.01930795 0.00442175
-7.31857809 4.61961518 8.99213445
0.00066202 -0.00014010 0.00058187
0.00089582 0.00389523 0.00636918
-7.75570764 6.28793499 11.22807727
-0.00085325 0.00022936 -0.00029989
-0.00902940 -0.00231970 0.05741802
-3.20157403 -16.23493535 11.15761207
0.00004875 0.00040651 -0.00107536
0.01154405 -0.01867859 -0.00365524
-4.18342642 -13.78303827 11.55059191
-0.00036805 -0.00028625 -0.00062057
-0.00341650 0.01408455 -0.00138857
8.54216217 0.56413828 -3.23251718
0.00060225 0.00015439 0.00052329
0.00660605 0.00399706 0.03448382
7.84562152 1.87302071 -5.77434906
0.00019929 -0.00160291 -0.00018178
-0.00234044 0.00261873 0.00222638
1.00435949 -10.75108210 1.66570228
-0.00125107 -0.00050763 0.00032713
-0.00069655 -0.00785680 0.00916946
0.06757860 -8.39794748 0.31668976
-0.00020873 -0.00013620 -0.00042821
-0.00098269 -0.01267200 -0.01101473
-20.21425862 -1.45343592 6.68037806
-0.00028143 -0.00041772 0.00004320
0.00263096 0.00487412 -0.02005639
-21.29811555 0.25822672 4.46456828
0.00022583 -0.00066151 0.00022835
0.00880509 -0.00837439 0.00080307
-3.81232760 8.31792623 -25.35353859
0.00004356 -0.00024049 -0.00006066
-0.00565461 0.00393831 0.05216665
-4.55931775 8.87399513 -22.26457478
-0.00019484 -0.00104582 0.00004202
0.00847897 0.00650901 -0.01120183
4.07953026 1.27096848 -0.89643794
0.00157955 0.00094119 0.00012912
0.01134026 -0.00569325 -0.00154860
1.29200991 1.04910390 -1.66092485
-0.00007091 0.00016798 0.00087199
-0.00872974 0.00407938 -0.00757217
15.74865724 7.66924568 6.31427977
-0.00061071 0.00038679 -0.00061351
0.00519894 -0.00370867 0.03534151
15.89632507 8.98950667 3.92455794
0.00040777 0.00074445 -0.00051068
0.00345865 0.02726615 -0.02203750
-0.30625835 -11.82029018 -13.20512859
0.00015599 -0.00000922 0.00022425
0.01053127 0.00074315 -0.00107782
-13.94482901 14.45190073 22.22929700
-0.00002086 -0.00013207 0.00015586
0.00089557 -0.00161744 0.00259598
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03035725
0.32496153
432.99494649
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.4243527652 (a.u.)
total exchange computation time: 2.6089019775 s
-154.5400649063
-931.35125391
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4233066172 (a.u.)
total exchange computation time: 2.6087338924 s
-154.5492147066
Anderson extrapolation: theta=1.3473805498 (1.3473805498)
-931.35147473
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4217517157 (a.u.)
total exchange computation time: 2.6088860035 s
-154.5624584731
Anderson extrapolation: theta=0.0525224246 (0.0525224246)
-931.35160615
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4215587592 (a.u.)
total exchange computation time: 2.6075761318 s
-154.5639075726
Anderson extrapolation: theta=1.9266694072 (1.9266694072)
-931.35161131
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4211543644 (a.u.)
total exchange computation time: 2.6051561832 s
-154.5668883779
Anderson extrapolation: theta=0.2207022540 (0.2207022540)
-931.35161714
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4210540758 (a.u.)
total exchange computation time: 2.6080291271 s
-154.5675815664
Anderson extrapolation: theta=1.8413924897 (1.8413924897)
-931.35161840
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4208913154 (a.u.)
total exchange computation time: 2.6064798832 s
-154.5686582924
Anderson extrapolation: theta=0.2848701500 (0.2848701500)
-931.35162016
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0556686047
ExchangeOperator: pair fraction: ispin=0: 0.1334991888
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4208685062 (a.u.)
total exchange computation time: 2.6071870327 s
-154.5687608300
Anderson extrapolation: theta=1.3065324666 (1.3065324666)
-931.35162066
-164.227660 50.267308 -204.352629
-132.850318 460.716509 -801.154317
-297.077978 510.983816 -1005.506946
1166.363581
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4209949969 (a.u.)
total exchange computation time: 2.6158130169 s
679.55593981
-1085.44242591
89.85227945
-387.93686244
-174.95969427
79.28130890
551.60419304
0.00000000
-931.35175836
-10.90243097 -4.28911221 6.66672667
0.00015401 -0.00015293 0.00004351
0.00493440 -0.00796115 0.02852851
-13.92796760 3.65888438 9.26668225
0.00017367 0.00027913 -0.00013430
-0.01295900 -0.00388765 0.00560429
-15.95057480 1.42737170 3.43666441
0.00001274 0.00027215 0.00006434
0.01777230 0.02030771 -0.03570517
2.62314481 -19.84178350 12.81837668
0.00018668 -0.00010768 -0.00012649
-0.00335628 0.00071602 -0.00001632
9.57831640 20.36140815 1.23622428
-0.00012682 0.00004251 0.00038698
0.01979442 0.01620197 -0.00926029
-12.10538851 12.55412826 15.20305559
-0.00011199 -0.00006480 0.00003381
-0.00217015 0.01553447 -0.02860004
-6.19600004 1.42965512 -12.45933184
0.00016445 -0.00024422 -0.00024819
-0.01131064 -0.02043260 0.04061916
-7.43125135 7.74514580 -6.02568844
-0.00006008 -0.00011742 -0.00030370
-0.01685501 0.01966395 -0.02084742
-7.76861066 -4.35403129 17.81233118
-0.00006497 -0.00009006 -0.00006313
0.01120068 0.00934561 -0.01438003
-23.57769913 -5.17233599 -22.67350316
-0.00019633 -0.00032288 -0.00027783
-0.00830726 0.01090675 -0.03211476
6.59990849 12.75811465 6.04998871
0.00001376 -0.00003871 -0.00006829
-0.00627769 0.01617144 -0.04112507
24.77989384 30.53027538 -2.98550124
0.00016913 0.00009745 -0.00022157
0.00107745 0.00926878 -0.01304512
7.92216186 -0.98930534 -14.54776979
0.00001533 0.00032746 0.00014016
0.00119671 -0.03295224 0.04386891
-7.36523912 -0.88967761 14.28432409
-0.00019281 0.00019201 -0.00030990
-0.00994774 -0.01134359 -0.02615562
-1.72347208 -26.19094084 11.24322958
0.00018324 0.00007454 -0.00014627
-0.00576348 -0.01007331 0.01922294
-14.02899529 -4.44276231 -6.98316145
0.00014352 0.00014935 0.00004041
-0.00189238 -0.02506809 -0.00989910
-20.00392287 -12.65825841 -17.68503199
0.00007970 -0.00022178 0.00011573
0.02563499 0.00784410 -0.00312260
22.77188752 3.51600440 3.00838345
0.00014108 -0.00012315 0.00004131
0.01702010 0.03769503 0.01059702
17.65785771 -10.33538240 -14.37555218
-0.00012669 -0.00038621 -0.00009884
0.00739263 -0.00649366 -0.02312064
-1.95308917 1.77489161 -7.03040402
0.00020580 -0.00012536 -0.00003992
-0.02917039 -0.00471517 0.00306953
-4.31206665 -3.00703752 -15.64201304
-0.00021884 0.00014679 -0.00003678
-0.00878743 -0.01176923 -0.00174613
13.40678556 17.31935259 -19.92889566
0.00009489 0.00009961 0.00032212
-0.02488385 -0.01268924 -0.00957295
-16.02316707 16.11446845 -12.09772745
0.00062392 0.00020962 0.00004579
-0.00712742 0.02389825 0.05650412
2.01054629 14.63142178 7.57398757
0.00046353 0.00031368 0.00013312
0.01107214 -0.01768449 -0.02305681
-5.36157909 -9.70223828 2.26626921
0.00000120 -0.00026364 0.00024142
-0.00769373 0.02422631 -0.01411832
3.06718646 -6.52979664 2.66662327
-0.00007052 -0.00045089 0.00024642
-0.01780564 0.04815278 0.00828802
10.85298713 4.98149132 4.41473590
-0.00000247 0.00024412 -0.00000117
0.00014456 0.00536706 0.01233876
-8.53696939 -9.58670371 -2.91933323
-0.00004179 0.00034582 -0.00058091
0.02548175 -0.02398913 -0.00048624
3.16791036 -15.94678034 -13.13107980
0.00027791 -0.00006163 0.00012758
-0.01206104 0.03732075 -0.04687694
4.77893825 -8.35206159 -5.39529636
-0.00011412 0.00027580 0.00049732
0.00555449 0.02475426 -0.05593739
18.54842650 0.98908260 24.64559381
-0.00004415 0.00008041 -0.00020606
-0.00179494 0.01009598 -0.00497445
-8.55421380 3.10281860 1.17951711
-0.00035626 0.00000424 0.00012118
0.01425551 0.01675006 -0.00062947
-7.63550074 14.21983826 -10.37316257
0.00044064 0.00000391 0.00024898
0.02720120 -0.00614342 0.02039113
1.70205464 11.43519117 -9.00439071
-0.00008310 0.00011307 -0.00002837
0.01480830 0.01968941 0.04188539
-11.65690172 10.13637025 -13.87848526
0.00025577 0.00029119 -0.00024655
-0.02493342 0.02080377 -0.00844104
6.87786894 4.45218519 14.73056375
-0.00041232 0.00016105 0.00000278
0.02244253 0.03296978 -0.02093581
-14.86088517 9.14348118 -9.01957621
-0.00025464 -0.00032167 0.00029705
0.02436675 0.00788973 -0.00511011
8.48603010 8.19983856 -3.10353268
-0.00013081 -0.00007674 -0.00012849
0.00156418 0.04552804 0.02151953
13.78492729 -20.45850247 -25.89749575
0.00016055 -0.00007833 -0.00027923
0.01188794 -0.00086785 0.01410316
6.19410342 6.65019398 2.57382417
-0.00024293 0.00037339 -0.00009505
0.00984710 0.03506817 -0.01687487
19.01527114 -5.79423869 -6.67858768
-0.00047674 -0.00002895 -0.00014251
0.00463057 -0.00736175 -0.00065947
-1.67694742 -0.06288020 -2.67602208
-0.00006108 -0.00022196 0.00012352
-0.01686985 0.00395976 0.03406852
2.33218610 -1.81586809 -12.08689501
0.00015507 0.00019031 0.00023094
0.05657406 -0.02795679 -0.02221998
20.14627900 9.36155455 -5.32428178
-0.00044396 0.00010070 -0.00004395
-0.03180793 0.02802276 -0.00207849
-7.57936972 6.39812444 9.51173648
-0.00024939 -0.00015728 0.00014508
0.00404341 -0.00398289 -0.05876329
-2.55071607 -14.57023013 11.44239219
0.00018623 0.00002065 -0.00008053
-0.01385084 0.00184659 0.00911524
8.12051863 0.25206874 -4.91080334
-0.00005193 -0.00011811 0.00000418
-0.00479750 -0.01401948 -0.02186291
-0.12884800 -10.25055375 0.32202882
-0.00011184 -0.00031705 -0.00021757
-0.00427631 0.01313100 -0.00013287
-20.21818527 -1.21971109 4.78012942
-0.00028306 0.00042035 0.00004321
-0.00172385 -0.00655162 0.02083014
-4.56627379 7.68804294 -23.63673853
0.00013731 0.00026586 -0.00011947
-0.00472394 -0.01501714 -0.02946205
2.58569084 2.23976786 -1.10314366
0.00006513 -0.00037317 0.00024732
0.01597545 0.00666228 -0.00453707
15.50544122 7.38422621 4.57717070
-0.00009873 -0.00035355 -0.00010030
-0.00843667 -0.01039694 -0.02437866
-9.64011734 -4.63787016 7.99002289
-0.00129476 0.00036936 0.00049686
-0.01221508 0.00485273 -0.01679680
-10.04869703 -4.09987655 5.05983924
0.00102143 -0.00128748 -0.00014856
0.01248991 -0.00673810 -0.00239695
-12.75577039 4.75193567 8.41996886
0.00076482 -0.00004709 -0.00088315
0.00527208 -0.00660683 -0.00521905
-13.85095210 1.89472483 8.57344479
-0.00026871 -0.00019921 -0.00035471
0.00795466 0.01350698 0.00354592
-15.46601325 2.13948001 4.99177900
-0.00054311 0.00019983 -0.00090612
0.01233596 0.00604070 0.02416617
-17.37554931 0.43818808 3.87611288
-0.00046401 0.00079023 -0.00058128
-0.02926843 -0.02322309 0.00859555
3.15571521 -21.34063490 11.84922805
-0.00045555 0.00015016 0.00087004
-0.00695241 0.00425336 0.00967175
3.76573403 -19.46587018 14.20064485
0.00126638 0.00133913 0.00037482
0.00303578 -0.00171524 -0.00773253
8.85387089 18.69376499 1.10349276
0.00030672 -0.00019255 -0.00020798
-0.01983960 0.00513454 0.00305883
8.62812454 21.74768355 2.05463765
0.00038953 -0.00025664 0.00022589
-0.00739286 -0.02273048 0.00016698
-11.28475586 11.73708381 16.54483960
-0.00059469 0.00037053 0.00082716
0.01879282 -0.00612279 0.02700771
-12.57550187 14.22127974 15.79670742
-0.00008875 0.00043684 0.00028325
-0.00229866 0.00226339 -0.00029701
-5.15945636 0.16733611 -13.25709818
-0.00002205 0.00040575 -0.00007643
-0.00132462 0.00004908 -0.00562344
-6.67780241 0.52628218 -10.76474414
0.00039228 0.00045849 -0.00092501
0.00757152 0.02491561 -0.03191640
-6.91069084 6.34618305 -5.06540812
-0.00023205 -0.00034830 0.00005025
0.00772479 -0.02457649 0.01646812
-9.12229645 8.06265052 -5.39323326
-0.00021110 0.00028902 0.00026295
0.00566800 -0.00107359 -0.00129650
-8.09328341 -3.07727046 19.05343486
0.00074777 0.00088432 0.00051760
-0.00143833 -0.00143318 0.00672872
-8.11602438 -5.98614569 18.46151759
-0.00108950 -0.00029802 0.00035454
-0.00729693 -0.01790390 0.01485991
-23.51816952 -3.50564763 -23.58691121
-0.00065586 -0.00045621 0.00009119
-0.00017949 -0.02009236 0.02155284
-23.01406006 -5.06453393 -20.97282691
0.00002358 0.00004053 -0.00022336
0.00335002 0.01682154 0.00857998
7.04297381 13.23816959 4.28210257
0.00092088 -0.00004749 -0.00002099
-0.01259362 0.00149618 0.01597473
8.15290027 11.97581830 6.44859493
-0.00025143 0.00040424 -0.00000722
0.02488922 -0.01938272 0.01913199
24.91879554 28.88682034 -2.29653180
0.00009443 0.00072710 -0.00026871
0.00027182 -0.02081618 0.00372660
24.12544037 31.56012971 -1.64907031
-0.00009897 0.00015018 0.00046692
-0.00820482 0.01061060 0.00637273
9.19527467 -2.09528970 -15.36229698
-0.00033657 0.00052800 -0.00139587
0.00341133 0.00698987 -0.00272043
7.95402334 -1.98156890 -12.90717189
-0.00055733 -0.00116860 -0.00115129
-0.00973546 0.02629706 -0.03036804
-7.77910197 -0.19093456 15.87004811
0.00005729 0.00005341 -0.00058613
0.01644157 0.03405639 0.03126873
-8.79636912 -2.00231879 14.41339749
-0.00074067 -0.00035238 0.00078920
0.00020128 -0.01986754 -0.01981015
-2.47772527 -26.72702454 12.91956418
0.00094922 -0.00031587 0.00024134
0.00939701 0.00439883 -0.01651415
-3.07966394 -25.91632420 10.08573669
0.00001983 0.00003712 -0.00087455
-0.00788346 0.00079161 -0.01043430
-14.72662667 -2.92061092 -6.27316761
-0.00024385 0.00022096 -0.00015546
0.00309092 0.01426796 0.00123904
-14.62339890 -4.69832573 -8.70389995
0.00061545 -0.00010156 0.00007739
-0.00041466 0.00558709 0.00093235
-19.29729074 -11.13520385 -16.96491180
-0.00003170 0.00136644 0.00042060
-0.01000726 0.01345601 0.01046321
-18.28599047 -13.27521251 -18.06787602
0.00025761 0.00014442 0.00049252
-0.01505838 -0.01888033 -0.00606987
24.15207483 3.66971788 1.77455128
-0.00000872 0.00067804 0.00061891
-0.01550184 -0.01963863 -0.00764517
22.97922593 5.17301160 3.80088865
0.00008849 -0.00002202 -0.00007188
-0.01260699 -0.00997176 0.00815218
16.32385598 -10.02442222 -13.18422619
-0.00059285 0.00042228 0.00130774
-0.01044656 0.00979341 0.00213765
17.01825079 -10.12372561 -16.12170931
-0.00005580 -0.00015379 -0.00063693
0.00410611 0.00594845 0.02053773
-0.40294879 2.07330953 -7.93485784
0.00043794 -0.00070318 0.00045889
0.01744822 -0.00374570 -0.00728558
-2.28283152 -0.03286078 -7.01153286
-0.00014932 -0.00046098 0.00068195
0.00501298 0.00865319 -0.01576593
-5.43475293 -4.00330539 -16.72948039
0.00038336 -0.00139820 -0.00036499
0.00978259 0.01093943 0.00736480
-3.82790495 -1.55667584 -16.63294831
-0.00104028 0.00015552 -0.00022039
0.00049549 0.00228869 -0.01088632
12.47298116 18.82417617 -20.47928268
-0.00070850 0.00018163 0.00050570
0.00982118 0.01439709 -0.00343715
11.90454181 16.20090596 -20.16602343
0.00053590 0.00010601 -0.00018075
0.02273378 -0.00300884 0.00316545
-15.37343907 15.72422043 -13.66566538
-0.00063123 0.00014836 0.00059825
0.02574872 -0.01184922 -0.04999381
-17.48751606 15.06041699 -12.11238228
0.00038681 -0.00054387 0.00009164
-0.01557033 -0.00691842 0.00040075
2.45331214 15.06030145 5.79197228
-0.00108266 0.00032628 -0.00004470
0.00336861 -0.00835723 0.01579778
0.73268288 15.79256430 7.95721434
0.00061280 -0.00013267 -0.00141739
-0.02724490 0.01901926 0.01263380
-5.88304983 -8.12781327 1.30465411
-0.00000512 0.00117865 0.00017989
0.01147873 -0.03105749 0.02261800
-3.60395074 -9.99714080 1.79548027
-0.00035468 -0.00121906 0.00047140
0.00431744 0.00538123 -0.00468994
2.78226946 -4.64181275 2.91904920
0.00122816 0.00192083 0.00019630
0.00747337 -0.03345232 -0.00304974
4.48153937 -6.63769803 1.51667652
0.00015333 -0.00025740 0.00053748
0.01047679 -0.00357494 -0.00309310
9.31180930 5.75255937 3.82950683
-0.00022679 0.00057054 -0.00148042
-0.00963545 0.00891612 -0.00353071
12.04398099 6.35174070 4.72076467
-0.00017233 0.00008322 -0.00010560
0.00274674 0.00074861 0.00121939
-7.26434317 -10.97336801 -2.54228327
0.00027224 -0.00020532 0.00020030
-0.02875246 0.02736192 -0.00379485
-9.60981916 -9.32699808 -1.46975876
0.00026652 -0.00048943 0.00061486
-0.00062025 -0.00550360 0.00471677
4.48703653 -16.34299026 -14.30328885
-0.00104337 0.00147919 -0.00027672
0.00273805 0.00810586 -0.01408497
3.74695588 -16.99672170 -11.89355724
-0.00066162 -0.00004917 -0.00028539
0.00338409 -0.03999141 0.06078147
5.70823472 -6.82865812 -6.08940830
-0.00008578 0.00022902 -0.00067337
-0.01259163 -0.02420111 0.01360186
4.96905318 -8.18921513 -3.66247459
-0.00025693 -0.00032845 0.00036662
0.00446446 0.00123299 0.04390347
16.91368809 1.82221829 24.72062727
0.00044857 0.00113212 0.00014998
-0.00744294 -0.00885310 -0.00201127
19.68747961 2.43191272 24.40818122
-0.00048293 0.00048638 -0.00064078
0.00570151 -0.00702109 0.00959192
-9.80341773 3.99110423 2.34737938
-0.00021312 0.00055863 -0.00012922
0.00383207 -0.02080847 -0.00747763
-7.33575518 4.47143330 0.96089569
0.00094105 -0.00076094 0.00006758
-0.00354205 -0.00519110 -0.00580096
-6.27497686 14.16787570 -9.04749001
0.00040934 -0.00031297 0.00031831
-0.02378885 0.00568683 -0.02262983
-9.13229774 13.66467219 -9.48012084
-0.00067180 -0.00066136 0.00047946
-0.00199197 -0.00086446 0.00171930
0.45604109 10.88754675 -7.77215377
0.00061254 -0.00038518 0.00046129
-0.01138784 -0.00939264 -0.01238174
2.74198368 12.29107526 -7.61865997
0.00110951 -0.00037533 0.00047469
-0.00244584 -0.00671887 -0.03129771
-10.19670598 9.13830937 -13.76360741
0.00064072 -0.00005694 0.00032307
0.02344749 -0.01980591 0.00700846
-12.64033304 9.87253154 -12.36825883
-0.00061989 -0.00064703 0.00085976
0.00180978 -0.00609529 0.00328698
7.32696530 6.30204158 14.63543568
0.00005308 0.00081065 -0.00138078
-0.01533840 -0.01271187 0.01917126
7.30870858 4.42461128 12.92537018
0.00040431 0.00009596 0.00043637
-0.00274697 -0.02916569 -0.00400389
-13.66826254 10.54321489 -8.52146731
0.00038226 -0.00013263 0.00014406
-0.01925859 -0.00603746 0.00171310
-16.23347201 9.88205255 -9.94834754
-0.00075991 0.00001665 -0.00040377
-0.00965230 -0.00106592 0.00380099
8.21731143 9.97376920 -2.44027380
-0.00061383 -0.00009134 -0.00065918
0.01064241 -0.03155830 -0.00039681
7.61546722 8.49678529 -4.65201832
0.00148605 -0.00022471 0.00054422
-0.01214270 -0.00892864 -0.01562056
12.09663166 -20.09705343 -26.35711098
-0.00042608 0.00062219 0.00059643
-0.01682078 0.00337856 -0.00941001
13.73924173 -20.19663453 -24.04721367
0.00039924 -0.00097230 0.00030374
0.00196630 0.00105531 -0.00163991
5.89476768 4.92789701 2.27367172
0.00052976 -0.00045890 -0.00153214
-0.00809648 -0.04102379 0.00352852
6.43287895 7.24885901 0.83947991
0.00037906 -0.00047396 0.00011917
0.00292275 0.00483662 0.00871292
20.45176584 -6.42403451 -5.75485682
0.00032557 -0.00009034 0.00031339
-0.00244515 -0.00102891 0.00217805
17.73811959 -5.27060419 -5.48023732
0.00024443 0.00008283 -0.00080751
-0.00727910 0.00700065 0.00422532
-2.45851657 0.42912839 -1.01584323
0.00143548 -0.00002961 -0.00020604
0.00223430 -0.00862748 -0.02423049
-2.47594753 0.96739599 -4.04422808
0.00054048 0.00011188 -0.00036912
0.01761890 -0.00262929 0.01537942
3.63348611 -3.24604848 -12.20039113
-0.00006515 0.00049426 -0.00011944
-0.02363246 0.03166696 0.00216752
0.79184511 -2.67792865 -11.59133881
-0.00052108 -0.00128189 0.00024850
-0.01917092 -0.00450459 0.01083159
19.19428164 8.42868076 -6.54421985
-0.00115634 -0.00048967 -0.00072082
0.00846508 -0.00898740 -0.01253728
21.70403191 8.61815490 -4.89164918
-0.00108153 -0.00001580 -0.00071368
0.02944213 -0.02207254 0.00596324
-7.30862028 4.61763305 9.00105762
0.00066522 -0.00012447 0.00060744
0.00066697 0.00375310 0.00614707
-7.76878306 6.29130437 11.22533833
-0.00089157 0.00021975 -0.00005878
-0.00973132 -0.00238713 0.06060870
-3.20048904 -16.22941001 11.14136966
0.00009598 0.00032763 -0.00109062
0.01157663 -0.01993500 -0.00381649
-4.18905184 -13.78690038 11.54124080
-0.00037694 -0.00023021 -0.00062640
-0.00093705 0.01334829 -0.00146568
8.55139838 0.56657659 -3.22361110
0.00062566 0.00016877 0.00064895
0.00485383 0.00304203 0.02702646
7.84853911 1.84905733 -5.77700748
0.00018752 -0.00157698 -0.00017924
-0.00341780 0.01007104 -0.00098425
0.98557217 -10.75893724 1.67089022
-0.00125095 -0.00053994 0.00036697
0.00075498 -0.00796358 0.01033141
0.06441754 -8.40037881 0.30992910
-0.00021252 -0.00019025 -0.00047250
-0.00087425 -0.01378408 -0.01066389
-20.21839948 -1.45955237 6.68041145
-0.00027067 -0.00039660 -0.00003888
0.00263801 0.00546466 -0.02012162
-21.29445829 0.24804744 4.46801808
0.00025174 -0.00068279 0.00022916
0.00387833 -0.00203952 -0.00040339
-3.81184754 8.31443952 -25.35284988
0.00002174 -0.00022209 0.00015060
-0.00502599 0.00506794 0.05124598
-4.56198051 8.85850726 -22.26428780
-0.00015947 -0.00101059 0.00000470
0.00883305 0.01073958 -0.00706238
4.10357097 1.28491181 -0.89454859
0.00161477 0.00092123 0.00012047
0.00590079 -0.00407433 -0.00268428
1.29067877 1.05174857 -1.64807699
-0.00010726 0.00017852 0.00083913
-0.00906440 0.00107885 -0.00851365
15.73965585 7.67493387 6.30616008
-0.00058868 0.00037280 -0.00046151
0.00558609 -0.00314063 0.03906248
15.90254758 9.00150895 3.91622251
0.00041637 0.00083414 -0.00059205
0.00075332 0.01663806 -0.01779671
-0.30389016 -11.82042651 -13.20176769
0.00015974 -0.00000896 0.00022387
0.01041844 0.00072418 -0.00107643
-13.94514036 14.44991684 22.23163939
-0.00002063 -0.00013243 0.00015646
0.00113033 -0.00147836 0.00262866
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03048625
0.32127211
428.07898304
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4098763063 (a.u.)
total exchange computation time: 2.6158089638 s
-154.4858506699
-931.34618622
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.4089622755 (a.u.)
total exchange computation time: 2.6148409843 s
-154.4940513432
Anderson extrapolation: theta=1.3478923217 (1.3478923217)
-931.34641187
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4075929872 (a.u.)
total exchange computation time: 2.6159420013 s
-154.5059742404
Anderson extrapolation: theta=0.0528993641 (0.0528993641)
-931.34654628
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.4074147704 (a.u.)
total exchange computation time: 2.6126289368 s
-154.5073230475
Anderson extrapolation: theta=1.9297342602 (1.9297342602)
-931.34655149
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.4070393312 (a.u.)
total exchange computation time: 2.6124179363 s
-154.5100968603
Anderson extrapolation: theta=0.2234367427 (0.2234367427)
-931.34655721
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.4069447827 (a.u.)
total exchange computation time: 2.6131100655 s
-154.5107394039
Anderson extrapolation: theta=1.8586091178 (1.8586091178)
-931.34655840
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4067903435 (a.u.)
total exchange computation time: 2.6176710129 s
-154.5117305790
Anderson extrapolation: theta=0.2913966512 (0.2913966512)
-931.34655998
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.4067682352 (a.u.)
total exchange computation time: 2.6164300442 s
-154.5118140928
Anderson extrapolation: theta=1.3159348589 (1.3159348589)
-931.34656041
-164.256087 50.271904 -204.312899
-132.836824 460.736610 -801.197480
-297.092911 511.008515 -1005.510379
1166.381165
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.4067575869 (a.u.)
total exchange computation time: 2.6157021523 s
679.34157992
-1084.98480561
89.87130848
-388.24516886
-174.92271714
79.03283209
551.60419304
0.00000000
-931.34656080
-10.90010183 -4.29143687 6.66748941
0.00015583 -0.00015662 0.00005643
0.00215760 -0.00638605 0.02171933
-13.92541252 3.66305637 9.26468934
0.00016782 0.00027719 -0.00013220
-0.00978604 -0.00367987 0.00257319
-15.95031513 1.43153228 3.43749180
0.00002120 0.00028157 0.00004393
0.01513710 0.01633051 -0.04367989
2.62593210 -19.84339600 12.81647921
0.00018580 -0.00010543 -0.00012382
-0.00006964 0.00803330 0.01042692
9.57649049 20.36210822 1.24199319
-0.00011605 0.00004994 0.00038173
0.02207763 0.01272813 -0.01115419
-12.10707680 12.55321625 15.20345247
-0.00011304 -0.00005615 0.00001994
-0.00190200 0.01807011 -0.02535438
-6.19357689 1.42591304 -12.46289804
0.00015821 -0.00025330 -0.00022766
-0.01296798 -0.01486691 0.03921398
-7.43221756 7.74346030 -6.03032435
-0.00006916 -0.00010791 -0.00031365
-0.01844501 0.01732996 -0.01784373
-7.76954200 -4.35534614 17.81132872
-0.00005981 -0.00008497 -0.00006879
0.00886489 0.01043626 -0.00763722
-23.58067620 -5.17713708 -22.67779449
-0.00020051 -0.00031763 -0.00029364
-0.00794608 0.00948753 -0.02934969
6.60009066 12.75759642 6.04880572
0.00001007 -0.00003003 -0.00008983
-0.00807202 0.01756508 -0.04265380
24.78243499 30.53177295 -2.98887511
0.00016908 0.00010416 -0.00022766
-0.00126586 0.01682519 -0.01062394
7.92239642 -0.98452062 -14.54549823
0.00001623 0.00031026 0.00016165
0.00231795 -0.03391304 0.03970778
-7.36816957 -0.88684121 14.27957465
-0.00019913 0.00018484 -0.00032370
-0.01464531 -0.01655886 -0.02748901
-1.72074578 -26.18986162 11.24110964
0.00017964 0.00006950 -0.00013714
-0.00822152 -0.00953353 0.01630504
-14.02684980 -4.44061876 -6.98259354
0.00014250 0.00013669 0.00003572
-0.00205998 -0.02416118 -0.00833002
-20.00262846 -12.66155478 -17.68330810
0.00009358 -0.00021547 0.00011524
0.02835113 0.01667860 0.00121173
22.77406940 3.51430257 3.00904395
0.00014939 -0.00010359 0.00004720
0.01527703 0.03837129 0.01232770
17.65598585 -10.34120062 -14.37712390
-0.00012491 -0.00038909 -0.00010954
-0.00046485 -0.00472014 -0.01852217
-1.95011471 1.77299298 -7.03099097
0.00019040 -0.00012854 -0.00003812
-0.03070980 -0.00763270 0.00394012
-4.31538310 -3.00488112 -15.64257147
-0.00022400 0.00013988 -0.00003820
-0.01127561 -0.01507068 -0.00376983
13.40811292 17.32079783 -19.92410084
0.00008210 0.00009391 0.00031700
-0.02484197 -0.00946952 -0.01034243
-16.01383577 16.11770499 -12.09682268
0.00061834 0.00022139 0.00007669
-0.01458760 0.02184450 0.06366713
2.01754190 14.63605881 7.57589547
0.00047001 0.00030378 0.00012099
0.01412623 -0.02082665 -0.02410392
-5.36159071 -9.70609943 2.26983612
-0.00000370 -0.00024993 0.00023371
-0.01137752 0.02907125 -0.01588412
3.06605992 -6.53637421 2.67035161
-0.00007986 -0.00042334 0.00025087
-0.01851792 0.05897227 0.00900053
10.85295060 4.98517376 4.41476597
-0.00000409 0.00024720 0.00000448
-0.00643145 0.00661538 0.00961024
-8.53749796 -9.58160888 -2.92804878
-0.00002890 0.00033279 -0.00057953
0.02465991 -0.02668876 0.00584354
3.17203244 -15.94756087 -13.12934687
0.00026957 -0.00004095 0.00010394
-0.02035035 0.04310141 -0.04507666
4.77724789 -8.34782906 -5.38805238
-0.00011124 0.00028862 0.00046781
0.00563408 0.02510089 -0.05881006
18.54775727 0.99032765 24.64248370
-0.00004515 0.00008615 -0.00020860
-0.00209599 0.01224782 -0.00490571
-8.55950268 3.10294685 1.18133242
-0.00034843 0.00001304 0.00012060
0.01617248 0.01746146 -0.00165571
-7.62878615 14.21987314 -10.36934917
0.00045268 -0.00000002 0.00026039
0.01960423 -0.00911447 0.02396791
1.70086526 11.43696317 -9.00465467
-0.00007482 0.00012348 -0.00000621
0.01740900 0.02079209 0.04426828
-11.65316133 10.14081827 -13.88221611
0.00024257 0.00030064 -0.00024832
-0.02641993 0.01597840 0.00155287
6.87177067 4.45472813 14.73052472
-0.00040048 0.00017887 -0.00000771
0.02359172 0.03631050 -0.01987494
-14.86461080 9.13868657 -9.01514022
-0.00024298 -0.00031646 0.00029362
0.02098129 0.01237620 -0.00821247
8.48407400 8.19886312 -3.10537696
-0.00012860 -0.00005384 -0.00011501
0.00700816 0.04349808 0.03088022
13.78738136 -20.45968074 -25.90162975
0.00016556 -0.00007848 -0.00027144
0.00758548 0.00028994 0.01618323
6.19049739 6.65593014 2.57233327
-0.00023827 0.00038866 -0.00010371
0.00830611 0.02430795 -0.01680228
19.00813785 -5.79470139 -6.68072786
-0.00047161 -0.00003385 -0.00014323
0.01534512 -0.01169651 -0.00213295
-1.67792875 -0.06619429 -2.67403788
-0.00006911 -0.00022013 0.00013964
-0.01434762 0.00315915 0.02863017
2.33473035 -1.81312125 -12.08351666
0.00018191 0.00017513 0.00022003
0.04781233 -0.03109145 -0.02019548
20.13949686 9.36317314 -5.32494898
-0.00046264 0.00011441 -0.00004693
-0.04082805 0.02530891 -0.00951292
-7.58309492 6.39574988 9.51368594
-0.00024713 -0.00015927 0.00011490
0.00471210 -0.00376607 -0.05857165
-2.54797604 -14.56991322 11.44121934
0.00017837 0.00002198 -0.00007581
-0.01671261 0.00332733 0.00925255
8.11972121 0.25024306 -4.91082497
-0.00005361 -0.00012700 -0.00000401
-0.00173875 -0.02058066 -0.00998986
-0.13054204 -10.25525886 0.31876470
-0.00011431 -0.00031015 -0.00021793
-0.00534697 0.01370346 -0.00123726
-20.22243782 -1.21343115 4.78085792
-0.00028254 0.00041501 0.00005419
0.00373815 -0.01419044 0.02188098
-4.56423231 7.69197296 -23.63864420
0.00013455 0.00025676 -0.00013527
-0.00602946 -0.02038197 -0.03198923
2.58672940 2.23419597 -1.09945136
0.00007492 -0.00036951 0.00024545
0.02209734 0.00759718 -0.00273616
15.50392768 7.37888288 4.57557222
-0.00010239 -0.00035629 -0.00011451
-0.00579036 -0.00025004 -0.03087234
-9.65991306 -4.63218105 7.99696110
-0.00133643 0.00038703 0.00043578
-0.00818015 0.00379549 -0.01310456
-10.03299287 -4.11939526 5.05753733
0.00106944 -0.00131564 -0.00015195
0.01101291 -0.00704605 0.00073928
-12.74413655 4.75102694 8.40656166
0.00078030 -0.00007907 -0.00090031
0.00230737 -0.00905024 -0.00318119
-13.85473904 1.89215059 8.56823275
-0.00023654 -0.00013955 -0.00033775
0.00779630 0.01569592 0.00475924
-15.47378187 2.14266259 4.97892776
-0.00048795 0.00023219 -0.00079097
0.01466343 0.00979953 0.03219961
-17.38340630 0.44932998 3.86765704
-0.00058285 0.00069610 -0.00054622
-0.02890365 -0.02285487 0.00856627
3.14866897 -21.33825220 11.86257506
-0.00047897 0.00015766 0.00090316
-0.00451382 -0.00057925 0.00653731
3.78482278 -19.44583584 14.20603019
0.00126714 0.00132769 0.00032828
-0.00266476 -0.00388106 -0.01504735
8.85786373 18.69103404 1.10046677
0.00022541 -0.00017010 -0.00019510
-0.01996304 0.00585708 0.00324447
8.63374089 21.74313740 2.05803106
0.00035509 -0.00034449 0.00022983
-0.00946456 -0.02027045 0.00176568
-11.29310030 11.74245410 16.55807463
-0.00051962 0.00034672 0.00093387
0.01795110 -0.00552895 0.02522462
-12.57690353 14.22790175 15.80094701
-0.00009683 0.00043957 0.00027850
-0.00165913 -0.00092633 -0.00202385
-5.15982774 0.17342393 -13.25841691
-0.00002168 0.00039905 -0.00010370
0.00150839 -0.00333100 -0.00772668
-6.67168622 0.53392304 -10.77959733
0.00042099 0.00055603 -0.00104852
0.00648405 0.02282909 -0.02854170
-6.91393495 6.34020552 -5.06414979
-0.00020261 -0.00044317 0.00011354
0.00668959 -0.02186736 0.01451655
-9.12528928 8.06695299 -5.38932868
-0.00018258 0.00028372 0.00025545
0.00829466 -0.00152315 -0.00237870
-8.08211086 -3.06404951 19.06140500
0.00074431 0.00086733 0.00053449
-0.00025671 -0.00688591 0.00153842
-8.13259041 -5.99116464 18.46729110
-0.00111684 -0.00036161 0.00041177
-0.00608626 -0.01322476 0.01315276
-23.52801287 -3.51310643 -23.58488286
-0.00065621 -0.00053465 0.00017640
0.00000460 -0.01830493 0.02015729
-23.01360372 -5.06341050 -20.97591444
0.00003660 0.00010833 -0.00019101
0.00302190 0.01636638 0.00725695
7.05640107 13.23750308 4.28227722
0.00086763 -0.00004125 0.00004493
-0.01347066 0.00155987 0.01629479
8.14989153 11.98128792 6.44907286
-0.00014455 0.00032198 0.00007364
0.02742651 -0.02088392 0.02045233
24.92022033 28.89708902 -2.30044830
0.00009667 0.00063218 -0.00025003
0.00082573 -0.02564861 0.00541791
24.12370436 31.56270753 -1.64187124
-0.00012881 0.00018815 0.00048448
-0.00639959 0.00797830 0.00222497
9.19033067 -2.08715558 -15.38331836
-0.00032538 0.00055919 -0.00140344
0.00206717 0.00828166 -0.00098646
7.94536499 -1.99829204 -12.92537174
-0.00059623 -0.00106243 -0.00127070
-0.00930331 0.02567334 -0.02808394
-7.77773888 -0.18908984 15.86221427
0.00012358 0.00019493 -0.00045416
0.01600982 0.03522012 0.03333137
-8.80747297 -2.00821323 14.42462849
-0.00072944 -0.00042549 0.00070709
0.00529329 -0.01592265 -0.02038256
-2.46319898 -26.73162782 12.92267826
0.00098551 -0.00029718 0.00017222
0.00836504 0.00475173 -0.01732198
-3.07960812 -25.91574307 10.07229873
-0.00000550 0.00003854 -0.00090947
-0.00451350 -0.00009833 -0.00665954
-14.73018970 -2.91685924 -6.27546148
-0.00023019 0.00027699 -0.00015134
0.00359397 0.01315683 0.00077702
-14.61417983 -4.69967798 -8.70271055
0.00061299 -0.00007867 0.00007881
-0.00079267 0.00561914 -0.00023572
-19.29807294 -11.11429486 -16.95828224
-0.00007914 0.00140251 0.00045409
-0.01321456 0.00420111 0.00593309
-18.28258775 -13.27362474 -18.06067421
0.00019659 0.00006854 0.00046790
-0.01480919 -0.01826537 -0.00598289
24.15146907 3.67928670 1.78360063
-0.00006758 0.00059718 0.00058329
-0.01331311 -0.01994275 -0.00978891
22.98016692 5.17237569 3.80006019
0.00003610 -0.00006270 -0.00003762
-0.01303476 -0.00994078 0.00862127
16.31464313 -10.01778797 -13.16454462
-0.00062041 0.00045901 0.00130101
-0.00304666 0.00818973 -0.00543118
17.01753964 -10.12585015 -16.13063399
-0.00003847 -0.00012986 -0.00054680
0.00437711 0.00576356 0.02358591
-0.39584509 2.06264710 -7.92819773
0.00051118 -0.00071813 0.00042813
0.01840382 -0.00357614 -0.00777403
-2.28491775 -0.03951030 -7.00178667
-0.00012773 -0.00042027 0.00061679
0.00555565 0.01127586 -0.01613067
-5.42870272 -4.02394318 -16.73472957
0.00042833 -0.00134788 -0.00032960
0.01223066 0.01369273 0.00996112
-3.84349395 -1.55427294 -16.63658772
-0.00103794 0.00016591 -0.00026584
0.00064841 0.00279841 -0.01136400
12.46265456 18.82734172 -20.47180253
-0.00066542 0.00023716 0.00049334
0.01126781 0.01278623 -0.00261312
11.91327699 16.20240390 -20.16863767
0.00062551 0.00009055 -0.00016808
0.02112780 -0.00455788 0.00303536
-15.38211850 15.72608273 -13.65822361
-0.00051853 0.00009680 0.00037751
0.02941928 -0.01338801 -0.05805831
-17.48219106 15.05204691 -12.11099544
0.00033129 -0.00056488 0.00009485
-0.01160539 -0.00336386 0.00117366
2.43717542 15.06493949 5.79178580
-0.00106435 0.00029062 0.00001615
0.00559323 -0.00909395 0.01399181
0.74104004 15.79115699 7.93634070
0.00049108 -0.00004720 -0.00135990
-0.03233764 0.02282126 0.01550336
-5.88277492 -8.11108525 1.30804549
0.00004617 0.00104103 0.00027764
0.01362957 -0.03630973 0.02523362
-3.60913859 -10.01526176 1.80240760
-0.00033397 -0.00119594 0.00045024
0.00581836 0.00593543 -0.00567130
2.80092088 -4.61402535 2.92190029
0.00125892 0.00176373 0.00018244
0.00758431 -0.04344887 -0.00373637
4.48416041 -6.64166864 1.52464390
0.00019634 -0.00027338 0.00052460
0.01057619 -0.00424473 -0.00320947
9.30811215 5.76139066 3.80719235
-0.00025587 0.00060181 -0.00148977
-0.00459848 0.00639211 -0.00104756
12.04148023 6.35301189 4.71921802
-0.00015889 0.00008911 -0.00009993
0.00382949 0.00213517 0.00155608
-7.26114061 -10.97560935 -2.53939512
0.00015151 -0.00008849 0.00018116
-0.03034634 0.02982872 -0.00557176
-9.60584034 -9.33450823 -1.46039134
0.00026870 -0.00051181 0.00062512
0.00168891 -0.00545186 0.00030515
4.47146993 -16.32055408 -14.30787127
-0.00101979 0.00150761 -0.00034279
0.00880345 0.00580559 -0.01825681
3.73713533 -16.99868467 -11.89597553
-0.00064322 -0.00021979 -0.00003211
0.00562206 -0.04352896 0.06319758
5.70656216 -6.82596442 -6.09909198
-0.00013869 0.00012767 -0.00061319
-0.01330836 -0.02541161 0.01585280
4.96533610 -8.19410404 -3.65562999
-0.00023750 -0.00032180 0.00054701
0.00504680 0.00202258 0.04439827
16.92018855 1.83892879 24.72281540
0.00041752 0.00109331 0.00014228
-0.00775505 -0.01014183 -0.00175792
19.68041039 2.43899334 24.39886338
-0.00045826 0.00045540 -0.00060132
0.00637412 -0.00814582 0.00972771
-9.80649718 3.99884598 2.34521195
-0.00019699 0.00047429 -0.00015905
0.00406596 -0.02047328 -0.00712367
-7.32174789 4.45986014 0.96173156
0.00092221 -0.00078452 0.00004477
-0.00568220 -0.00635286 -0.00536204
-6.26956578 14.16335538 -9.04340877
0.00031214 -0.00028967 0.00022681
-0.02378708 0.00572110 -0.02216057
-9.14243572 13.65472524 -9.47287632
-0.00066429 -0.00065933 0.00047815
0.00566640 0.00186107 -0.00235795
0.46488027 10.88148126 -7.76561383
0.00056599 -0.00042300 0.00041057
-0.01139794 -0.00911966 -0.01244750
2.75855143 12.28523935 -7.61249868
0.00109452 -0.00040514 0.00034240
-0.00489134 -0.00787122 -0.03345984
-10.18637667 9.13684829 -13.75854657
0.00072731 -0.00013171 0.00035075
0.01893650 -0.01679309 0.00653768
-12.64957597 9.86263927 -12.35526170
-0.00060042 -0.00066839 0.00085381
0.00772100 -0.00435927 -0.00619827
7.32729145 6.31381182 14.61531148
-0.00001250 0.00075346 -0.00130062
-0.01676458 -0.01528236 0.02006721
7.31468907 4.42515701 12.93179305
0.00039331 -0.00002492 0.00041591
-0.00263700 -0.03000856 -0.00601148
-13.66311878 10.54104037 -8.51925394
0.00030007 -0.00016016 0.00015006
-0.02097261 -0.00743676 0.00122596
-16.24516641 9.88226958 -9.95428759
-0.00078848 0.00000659 -0.00038083
-0.00433317 -0.00385866 0.00742606
8.20843004 9.97143203 -2.45017361
-0.00057018 -0.00021829 -0.00065816
0.01072781 -0.03058568 0.00089650
7.63738585 8.49314104 -4.64433374
0.00142519 -0.00025949 0.00045879
-0.01764980 -0.00809524 -0.02619631
12.08972506 -20.08761711 -26.34845289
-0.00048588 0.00063426 0.00055997
-0.01245172 0.00253394 -0.00843549
13.74529064 -20.21118673 -24.04270776
0.00040750 -0.00096807 0.00029139
0.00207453 0.00101863 -0.00440935
5.90246591 4.91975635 2.25079778
0.00049940 -0.00061004 -0.00151220
-0.00676226 -0.03295691 0.00623086
6.43865434 7.24189776 0.84153438
0.00039162 -0.00044888 0.00014893
0.00322553 0.00744384 0.00585923
20.45657448 -6.42542107 -5.75008917
0.00030421 -0.00008979 0.00031544
-0.00800899 0.00129819 -0.00117563
17.74156295 -5.26914718 -5.49222056
0.00020483 0.00011529 -0.00078079
-0.01210514 0.00888911 0.00885607
-2.43691583 0.42841985 -1.01967632
0.00143856 -0.00006176 -0.00029717
-0.00073080 -0.00710854 -0.02037939
-2.46730049 0.96899358 -4.04929368
0.00061298 0.00010039 -0.00030356
0.01787468 -0.00299427 0.01671281
3.63178464 -3.23766427 -12.20211630
-0.00015830 0.00062093 -0.00011051
-0.02196590 0.03033912 0.00220250
0.78344146 -2.69729507 -11.58727937
-0.00058610 -0.00129159 0.00028822
-0.01265933 -0.00024422 0.00861125
19.17719595 8.42106029 -6.55541627
-0.00111236 -0.00051630 -0.00075934
0.01306076 -0.00404617 -0.00632171
21.68871118 8.61724148 -4.90217158
-0.00095196 -0.00011050 -0.00068684
0.03398044 -0.02428228 0.00717276
-7.29862159 4.61588093 9.01035752
0.00066749 -0.00010975 0.00063204
0.00044593 0.00345649 0.00589621
-7.78245487 6.29452746 11.22631386
-0.00093208 0.00021022 0.00018911
-0.01009650 -0.00227544 0.06073619
-3.19869456 -16.22510641 11.12489335
0.00014355 0.00024488 -0.00110635
0.01170782 -0.02057254 -0.00388308
-4.19473469 -13.78994442 11.53179987
-0.00037554 -0.00017748 -0.00063255
0.00162547 0.01245899 -0.00154567
8.56093207 0.56920134 -3.21304868
0.00064135 0.00017891 0.00074250
0.00282560 0.00192002 0.01876813
7.85124724 1.82571117 -5.77972621
0.00017130 -0.00152017 -0.00019028
-0.00452601 0.01774178 -0.00442231
0.96683112 -10.76728044 1.67671133
-0.00124545 -0.00057241 0.00041097
0.00193291 -0.00792605 0.01120879
0.06120289 -8.40365492 0.30251488
-0.00021575 -0.00024799 -0.00051526
-0.00070551 -0.01448137 -0.01026771
-20.22237867 -1.46533391 6.67921165
-0.00025986 -0.00037321 -0.00012026
0.00265078 0.00598241 -0.01971561
-21.29056335 0.23774316 4.47144317
0.00025668 -0.00067711 0.00022481
-0.00146205 0.00481691 -0.00172830
-3.81167550 8.31126340 -25.34902050
0.00000295 -0.00019887 0.00035648
-0.00417067 0.00630183 0.04953443
-4.56410193 8.84367757 -22.26443365
-0.00012279 -0.00095840 -0.00001550
0.00912372 0.01480762 -0.00282982
4.12797332 1.29860544 -0.89282375
0.00162718 0.00090787 0.00010720
0.00017441 -0.00246588 -0.00381424
1.28879211 1.05445937 -1.63575090
-0.00014472 0.00017706 0.00080255
-0.00927271 -0.00178995 -0.00939143
15.73099681 7.68042959 6.30043438
-0.00056542 0.00036108 -0.00029746
0.00579812 -0.00259327 0.04124413
15.90881625 9.01453091 3.90679639
0.00041394 0.00088076 -0.00065586
-0.00194596 0.00618018 -0.01343880
-0.30146604 -11.82055896 -13.19841257
0.00016346 -0.00000871 0.00022348
0.01032269 0.00069012 -0.00107802
-13.94544778 14.44792781 22.23399094
-0.00002034 -0.00013276 0.00015708
0.00134770 -0.00132929 0.00264761
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03046996
0.31609084
421.17520117
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3939324121 (a.u.)
total exchange computation time: 2.6156539917 s
-154.4264193094
-931.34003989
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3931746233 (a.u.)
total exchange computation time: 2.6145451069 s
-154.4335708376
Anderson extrapolation: theta=1.3437610113 (1.3437610113)
-931.34027458
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3920442689 (a.u.)
total exchange computation time: 2.6140620708 s
-154.4439355729
Anderson extrapolation: theta=0.0518780076 (0.0518780076)
-931.34041392
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3918995278 (a.u.)
total exchange computation time: 2.6126248837 s
-154.4451054764
Anderson extrapolation: theta=1.9039569748 (1.9039569748)
-931.34041917
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3916009313 (a.u.)
total exchange computation time: 2.6144349575 s
-154.4474701884
Anderson extrapolation: theta=0.2188360397 (0.2188360397)
-931.34042477
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3915306041 (a.u.)
total exchange computation time: 2.6160910130 s
-154.4479906310
Anderson extrapolation: theta=1.8455281597 (1.8455281597)
-931.34042589
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3914227027 (a.u.)
total exchange computation time: 2.6145968437 s
-154.4487530692
Anderson extrapolation: theta=0.2852901353 (0.2852901353)
-931.34042735
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3914143199 (a.u.)
total exchange computation time: 2.6156790257 s
-154.4487747763
Anderson extrapolation: theta=1.3069497402 (1.3069497402)
-931.34042773
-164.285149 50.267371 -204.268348
-132.823317 460.752276 -801.237689
-297.108466 511.019647 -1005.506037
1166.386261
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0557412791
ExchangeOperator: pair fraction: ispin=0: 0.1338020552
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3914204196 (a.u.)
total exchange computation time: 2.6127500534 s
679.11296670
-1084.49347451
89.89072244
-388.57631950
-174.88290278
78.76485259
551.60419304
0.00000000
-931.34042808
-10.89775605 -4.29381079 6.66841970
0.00015618 -0.00015949 0.00006566
-0.00080073 -0.00477827 0.01416956
-13.92293293 3.66719998 9.26271629
0.00016359 0.00027540 -0.00013162
-0.00665860 -0.00326398 -0.00033607
-15.94993869 1.43581884 3.43798220
0.00002810 0.00028885 0.00001974
0.01167951 0.01198616 -0.05039027
2.62871885 -19.84494651 12.81466217
0.00018645 -0.00009934 -0.00011595
0.00259831 0.01565689 0.02014842
9.57483489 20.36290649 1.24767604
-0.00010412 0.00005548 0.00037547
0.02433369 0.00879621 -0.01317527
-12.10877975 12.55244364 15.20365375
-0.00011379 -0.00004640 0.00000797
-0.00102050 0.01986906 -0.02118047
-6.19125378 1.42205626 -12.46616172
0.00015120 -0.00025941 -0.00020812
-0.01430312 -0.00891164 0.03676595
-7.43332606 7.74190849 -6.03509791
-0.00007890 -0.00009982 -0.00032194
-0.01942637 0.01411249 -0.01438806
-7.77040495 -4.35658047 17.81026733
-0.00005585 -0.00007953 -0.00007099
0.00652579 0.01071669 -0.00091786
-23.58371456 -5.18186497 -22.68231224
-0.00020446 -0.00031325 -0.00030781
-0.00741525 0.00755384 -0.02577678
6.60021054 12.75721370 6.04729367
0.00000573 -0.00002083 -0.00011193
-0.00879196 0.01822720 -0.04328060
24.78496639 30.53340032 -2.99233093
0.00016784 0.00011454 -0.00023242
-0.00356351 0.02353357 -0.00788159
7.92264887 -0.97999752 -14.54292034
0.00001772 0.00029273 0.00018079
0.00346386 -0.03426510 0.03472122
-7.37121301 -0.88413256 14.27461315
-0.00020788 0.00017518 -0.00033783
-0.01938956 -0.02099809 -0.02747520
-1.71808291 -26.18885595 11.23911550
0.00017481 0.00006477 -0.00012963
-0.01054518 -0.00884254 0.01286594
-14.02472021 -4.43866160 -6.98208989
0.00014137 0.00012460 0.00003189
-0.00235487 -0.02285824 -0.00656324
-20.00111533 -12.66472249 -17.68157486
0.00010868 -0.00020476 0.00011689
0.03034364 0.02495467 0.00522056
22.77636914 3.51289676 3.00979955
0.00015672 -0.00008380 0.00005399
0.01322451 0.03856640 0.01407196
17.65411040 -10.34705525 -14.37883852
-0.00012698 -0.00039107 -0.00011782
-0.00758900 -0.00294851 -0.01364534
-1.94737716 1.77103547 -7.03154752
0.00017442 -0.00013308 -0.00003597
-0.03144479 -0.01002707 0.00442184
-4.31878654 -3.00284099 -15.64315898
-0.00023029 0.00013143 -0.00004062
-0.01320872 -0.01779537 -0.00564330
13.40924863 17.32217002 -19.91938581
0.00006944 0.00008996 0.00031151
-0.02438893 -0.00592124 -0.01100643
-16.00461701 16.12111005 -12.09542674
0.00060922 0.00023191 0.00011058
-0.02085332 0.01907895 0.06813794
2.02464648 14.64053518 7.57761742
0.00047771 0.00029252 0.00010855
0.01583955 -0.02296744 -0.02430156
-5.36169011 -9.70973631 2.27328050
-0.00001032 -0.00023401 0.00022524
-0.01436298 0.03284584 -0.01704595
3.06479053 -6.54249682 2.67414938
-0.00008936 -0.00039073 0.00025555
-0.01841836 0.06783832 0.00917994
10.85286445 4.98890723 4.41487018
-0.00000906 0.00025093 0.00000870
-0.01289765 0.00790040 0.00679935
-8.53783628 -9.57671995 -2.93671925
-0.00001659 0.00031855 -0.00057494
0.02319122 -0.02869421 0.01202777
3.17599752 -15.94800888 -13.12796168
0.00025733 -0.00001790 0.00008188
-0.02724205 0.04654092 -0.04068099
4.77560099 -8.34340289 -5.38126211
-0.00010837 0.00030150 0.00043745
0.00554897 0.02497520 -0.05922930
18.54707187 0.99166720 24.63933574
-0.00004635 0.00009297 -0.00021110
-0.00256424 0.01425791 -0.00479147
-8.56466681 3.10320980 1.18313496
-0.00033961 0.00002211 0.00011944
0.01814026 0.01779496 -0.00284350
-7.62192032 14.21983771 -10.36535086
0.00046081 -0.00000542 0.00027338
0.01199218 -0.01188833 0.02653057
1.69981018 11.43889558 -9.00457712
-0.00006530 0.00013435 0.00001701
0.01957775 0.02147695 0.04603750
-11.64962476 10.14538957 -13.88593499
0.00022894 0.00030750 -0.00024517
-0.02656972 0.01069684 0.01069470
6.86585440 4.45755120 14.73033237
-0.00038812 0.00019821 -0.00001768
0.02449265 0.03891330 -0.01887498
-14.86817456 9.13398744 -9.01076760
-0.00023308 -0.00030906 0.00028861
0.01753471 0.01637731 -0.01126896
8.48217198 8.19822326 -3.10698301
-0.00012367 -0.00003219 -0.00009688
0.01217275 0.04070310 0.03960920
13.78989394 -20.46085678 -25.90563890
0.00016824 -0.00007800 -0.00026264
0.00283912 0.00156747 0.01802661
6.18695544 6.66185384 2.57071274
-0.00023438 0.00039820 -0.00011234
0.00678738 0.01277051 -0.01675305
19.00112293 -5.79525432 -6.68288449
-0.00046113 -0.00004091 -0.00014473
0.02538614 -0.01575136 -0.00371060
-1.67902076 -0.06948402 -2.67183280
-0.00007574 -0.00021882 0.00015286
-0.01141088 0.00192851 0.02275082
2.33764345 -1.81061428 -12.08029410
0.00020412 0.00015854 0.00021017
0.03856633 -0.03342236 -0.01813916
20.13239974 9.36498698 -5.32568957
-0.00048547 0.00012664 -0.00005352
-0.04792781 0.02222674 -0.01613577
-7.58678377 6.39334626 9.51518354
-0.00024465 -0.00016116 0.00008563
0.00495245 -0.00356103 -0.05526561
-2.54536496 -14.56957065 11.44011788
0.00016901 0.00002394 -0.00007105
-0.01968862 0.00427798 0.00925327
8.11891037 0.24825860 -4.91092366
-0.00005368 -0.00013922 -0.00000600
0.00144579 -0.02693742 0.00225741
-0.13227733 -10.25985826 0.31549104
-0.00011727 -0.00030311 -0.00021876
-0.00616475 0.01367693 -0.00201607
-20.22666154 -1.20726068 4.78175522
-0.00027915 0.00040571 0.00006561
0.00945160 -0.02199836 0.02252766
-4.56223735 7.69574574 -23.64079666
0.00013105 0.00024493 -0.00015214
-0.00755754 -0.02560162 -0.03360630
2.58793843 2.22868268 -1.09578017
0.00008782 -0.00036538 0.00024448
0.02805611 0.00844642 -0.00105250
15.50236947 7.37353762 4.57373555
-0.00010466 -0.00035390 -0.00013157
-0.00303973 0.00953845 -0.03549079
-9.68021011 -4.62625934 8.00309618
-0.00136090 0.00040018 0.00039102
-0.00379788 0.00264311 -0.00880503
-10.01661378 -4.13934579 5.05528072
0.00111109 -0.00134493 -0.00014231
0.00937177 -0.00729289 0.00398088
-12.73236130 4.74956355 8.39295950
0.00078379 -0.00012071 -0.00090915
-0.00060216 -0.01133039 -0.00114737
-13.85804817 1.89053829 8.56331238
-0.00020503 -0.00007173 -0.00031604
0.00762839 0.01750419 0.00586897
-15.48065182 2.14644575 4.96804992
-0.00042409 0.00027897 -0.00064505
0.01659531 0.01309963 0.03922943
-17.39303468 0.45907118 3.85972620
-0.00069779 0.00060515 -0.00051184
-0.02736408 -0.02166580 0.00826420
3.14134609 -21.33590500 11.87632271
-0.00049233 0.00014462 0.00092308
-0.00202419 -0.00580421 0.00321522
3.80374823 -19.42603935 14.21049334
0.00124584 0.00130758 0.00025370
-0.00776088 -0.00596740 -0.02146221
8.86063312 18.68866205 1.09763962
0.00014394 -0.00014447 -0.00018150
-0.01991564 0.00668792 0.00341536
8.63877719 21.73734895 2.06153268
0.00031196 -0.00042152 0.00024064
-0.01164721 -0.01743863 0.00352134
-11.30034458 11.74748554 16.57285559
-0.00044916 0.00032653 0.00103122
0.01654348 -0.00435781 0.02243320
-12.57840688 14.23446699 15.80506257
-0.00010242 0.00042964 0.00026683
-0.00107308 -0.00393488 -0.00368974
-5.16010667 0.17930761 -13.26020918
-0.00000988 0.00037875 -0.00013942
0.00426483 -0.00660595 -0.00975814
-6.66517264 0.54296301 -10.79619974
0.00044475 0.00064397 -0.00115629
0.00514436 0.02022103 -0.02421464
-6.91676908 6.33288783 -5.06200179
-0.00017797 -0.00052527 0.00016769
0.00537318 -0.01831850 0.01198600
-9.12777377 8.07116211 -5.38556987
-0.00014403 0.00027666 0.00024373
0.01057645 -0.00193153 -0.00335770
-8.07095405 -3.05125056 19.06946942
0.00074529 0.00082867 0.00053075
0.00073495 -0.01203619 -0.00336843
-8.14952944 -5.99699408 18.47387069
-0.00113880 -0.00040512 0.00046149
-0.00466465 -0.00807026 0.01118399
-23.53785594 -3.52168707 -23.58161915
-0.00065585 -0.00060458 0.00025509
0.00017329 -0.01592529 0.01836126
-23.01296218 -5.06128403 -20.97855723
0.00004797 0.00017402 -0.00016489
0.00254640 0.01579123 0.00552806
7.06900276 13.23693217 4.28345052
0.00081122 -0.00003458 0.00011118
-0.01414280 0.00170334 0.01613654
8.14856366 11.98547765 6.45080423
-0.00002989 0.00023494 0.00015906
0.02870148 -0.02171961 0.02136111
24.92169572 28.90578580 -2.30403276
0.00010099 0.00051933 -0.00022506
0.00128859 -0.02959402 0.00680816
24.12157614 31.56577430 -1.63453582
-0.00015121 0.00021528 0.00048503
-0.00456682 0.00529999 -0.00195550
9.18551336 -2.07851391 -15.40440019
-0.00031971 0.00059562 -0.00140378
0.00070691 0.00954766 0.00081919
7.93613648 -2.01344175 -12.94529276
-0.00063338 -0.00096000 -0.00137923
-0.00888401 0.02446474 -0.02504443
-7.77539459 -0.18508660 15.85642318
0.00018845 0.00033946 -0.00031680
0.01574618 0.03552531 0.03391012
-8.81825242 -2.01508350 14.43461031
-0.00069769 -0.00048232 0.00062297
0.01024942 -0.01189640 -0.02079802
-2.44816003 -26.73593988 12.92473074
0.00101723 -0.00027733 0.00010066
0.00716287 0.00496601 -0.01770797
-3.07982892 -25.91516797 10.05845263
-0.00001693 0.00003633 -0.00092882
-0.00108029 -0.00098326 -0.00281377
-14.73353246 -2.91230123 -6.27770774
-0.00021413 0.00032775 -0.00014939
0.00426692 0.01169189 0.00017644
-14.60500934 -4.70068585 -8.70153561
0.00060894 -0.00005573 0.00007536
-0.00118709 0.00560952 -0.00145536
-19.29966502 -11.09312840 -16.95128906
-0.00013867 0.00140185 0.00046973
-0.01592671 -0.00452483 0.00172082
-18.28009263 -13.27315638 -18.05383906
0.00013707 -0.00000475 0.00044361
-0.01432792 -0.01761127 -0.00590763
24.15004740 3.68763330 1.79205005
-0.00011709 0.00051541 0.00053872
-0.01092212 -0.02008539 -0.01202872
22.98030906 5.17113056 3.79976010
-0.00001777 -0.00010268 -0.00000131
-0.01333702 -0.00962944 0.00915277
16.30524356 -10.01065181 -13.14519590
-0.00061891 0.00048928 0.00126437
0.00378228 0.00662650 -0.01250191
17.01709675 -10.12762146 -16.13811318
-0.00002041 -0.00010659 -0.00044556
0.00446062 0.00562655 0.02596971
-0.38761350 2.05176550 -7.92201406
0.00058700 -0.00073253 0.00039613
0.01871103 -0.00346893 -0.00788746
-2.28666349 -0.04546876 -6.99302908
-0.00010420 -0.00036974 0.00055023
0.00596131 0.01345553 -0.01645094
-5.42190294 -4.04374180 -16.73936827
0.00048237 -0.00128695 -0.00028432
0.01421872 0.01613319 0.01219943
-3.85904321 -1.55169855 -16.64092359
-0.00103514 0.00017782 -0.00031281
0.00072503 0.00303362 -0.01162451
12.45301853 18.83129089 -20.46448253
-0.00061652 0.00028577 0.00048439
0.01266999 0.01101123 -0.00176508
11.92330702 16.20362250 -20.17106589
0.00070776 0.00006844 -0.00015616
0.01913380 -0.00626524 0.00280138
-15.38899494 15.72712452 -13.65434000
-0.00039359 0.00004015 0.00012950
0.03174132 -0.01434375 -0.06334445
-17.47757732 15.04347068 -12.10953666
0.00029233 -0.00057110 0.00010106
-0.00746695 0.00031624 0.00186504
2.42138150 15.06902019 5.79245683
-0.00103690 0.00025223 0.00006893
0.00784483 -0.00969834 0.01184388
0.74741534 15.79114830 7.91641720
0.00035118 0.00005147 -0.00129171
-0.03614680 0.02547745 0.01787634
-5.88166471 -8.09658252 1.31298334
0.00010534 0.00088420 0.00038459
0.01533377 -0.04045902 0.02711693
-3.61396986 -10.03301897 1.80898735
-0.00030761 -0.00117057 0.00042527
0.00708722 0.00648128 -0.00654927
2.82003711 -4.58890077 2.92452240
0.00128924 0.00156961 0.00016627
0.00725794 -0.05157748 -0.00417783
4.48742962 -6.64589940 1.53241459
0.00023906 -0.00029199 0.00051179
0.01033396 -0.00486784 -0.00306144
9.30413317 5.77061370 3.78481366
-0.00026452 0.00062278 -0.00148875
0.00036677 0.00387439 0.00154717
12.03921417 6.35441394 4.71776673
-0.00014114 0.00010050 -0.00009298
0.00486091 0.00344369 0.00184700
-7.25979786 -10.97602261 -2.53684845
0.00002582 0.00003682 0.00015510
-0.03117945 0.03151111 -0.00718758
-9.60175802 -9.34235250 -1.45100521
0.00028007 -0.00053376 0.00061735
0.00387495 -0.00529003 -0.00410989
4.45644285 -16.29776210 -14.31357258
-0.00097203 0.00152682 -0.00042528
0.01457736 0.00359817 -0.02212222
3.72765934 -17.00331537 -11.89452068
-0.00061805 -0.00040020 0.00022502
0.00670009 -0.04478191 0.06267067
5.70407398 -6.82482810 -6.10780411
-0.00019374 0.00002271 -0.00054449
-0.01363866 -0.02596658 0.01777872
4.96192832 -8.19886900 -3.64606440
-0.00021611 -0.00031233 0.00072504
0.00541906 0.00261154 0.04275106
16.92621373 1.85501773 24.72489579
0.00038548 0.00104927 0.00013562
-0.00792762 -0.01141679 -0.00150433
19.67373181 2.44557473 24.39014171
-0.00043080 0.00042008 -0.00056136
0.00706824 -0.00914457 0.00982934
-9.80932744 4.00533300 2.34260794
-0.00018019 0.00039172 -0.00018708
0.00415869 -0.01994764 -0.00659688
-7.30808885 4.44789764 0.96223880
0.00089481 -0.00081242 0.00002378
-0.00773287 -0.00730312 -0.00491171
-6.26561251 14.15918567 -9.04068567
0.00021631 -0.00026628 0.00013847
-0.02312333 0.00572549 -0.02108308
-9.15222643 13.64489234 -9.46577630
-0.00062678 -0.00064653 0.00046098
0.01269559 0.00440361 -0.00604861
0.47302091 10.87485686 -7.75983675
0.00051962 -0.00045957 0.00035962
-0.01130466 -0.00878160 -0.01249275
2.77481941 12.27892105 -7.60838801
0.00107013 -0.00043897 0.00020249
-0.00704925 -0.00868821 -0.03502700
-10.17488682 9.13435802 -13.75308506
0.00079399 -0.00019315 0.00037620
0.01370696 -0.01328199 0.00592464
-12.65834570 9.85247985 -12.34264444
-0.00055813 -0.00068271 0.00081117
0.01298091 -0.00265149 -0.01467484
7.32659016 6.32464546 14.59641712
-0.00008355 0.00068686 -0.00121711
-0.01801036 -0.01732190 0.02081255
7.32050794 4.42386364 12.93784751
0.00038288 -0.00014887 0.00038766
-0.00246766 -0.03066691 -0.00781898
-13.65926035 10.53841008 -8.51696544
0.00021157 -0.00019270 0.00015433
-0.02235047 -0.00849111 0.00086413
-16.25712638 9.88225012 -9.95977253
-0.00079590 -0.00001459 -0.00034345
0.00069975 -0.00650699 0.01087377
8.20020612 9.96722039 -2.46001848
-0.00052655 -0.00033969 -0.00065145
0.01062769 -0.02883921 0.00238525
7.65822279 8.48900068 -4.63825463
0.00134277 -0.00029085 0.00033102
-0.02269126 -0.00725772 -0.03634904
12.08205534 -20.07802549 -26.34031178
-0.00052683 0.00064257 0.00052768
-0.00759409 0.00153208 -0.00737172
13.75146669 -20.22567651 -24.03847207
0.00041610 -0.00096388 0.00026803
0.00213344 0.00103180 -0.00702501
5.90974970 4.90959590 2.22830571
0.00047449 -0.00072665 -0.00148074
-0.00543235 -0.02412802 0.00917024
6.44462742 7.23539273 0.84394793
0.00040546 -0.00041328 0.00016666
0.00355293 0.00998070 0.00281722
20.46089227 -6.42672807 -5.74539357
0.00026104 -0.00008019 0.00030440
-0.01312516 0.00339640 -0.00422936
17.74426444 -5.26714538 -5.50366104
0.00014598 0.00015537 -0.00073558
-0.01670062 0.01073052 0.01327415
-2.41535989 0.42727565 -1.02475838
0.00142911 -0.00008719 -0.00037100
-0.00389131 -0.00533816 -0.01575834
-2.45755799 0.97040765 -4.05333501
0.00068612 0.00008783 -0.00023332
0.01792439 -0.00315185 0.01767287
3.62873697 -3.22742069 -12.20370648
-0.00024326 0.00074060 -0.00010158
-0.01962080 0.02824411 0.00217154
0.77426197 -2.71667646 -11.58269218
-0.00062503 -0.00128396 0.00031907
-0.00639448 0.00398129 0.00648804
19.16091070 8.41319184 -6.56700013
-0.00105040 -0.00052338 -0.00077326
0.01727320 0.00058025 -0.00049246
21.67547298 8.61483988 -4.91225439
-0.00080686 -0.00021272 -0.00065589
0.03704783 -0.02575259 0.00797556
-7.28859557 4.61434065 9.02001878
0.00066888 -0.00009654 0.00065557
0.00023533 0.00300629 0.00562100
-7.79674545 6.29761109 11.23101169
-0.00097326 0.00020146 0.00043124
-0.01006303 -0.00201581 0.05778553
-3.19618255 -16.22206363 11.10817907
0.00019190 0.00016084 -0.00112207
0.01195943 -0.02056737 -0.00381000
-4.20031792 -13.79222490 11.52226421
-0.00036356 -0.00012870 -0.00063897
0.00423467 0.01142137 -0.00159410
8.57063893 0.57194375 -3.20133603
0.00064843 0.00018429 0.00080165
0.00063810 0.00071341 0.01018617
7.85367799 1.80345233 -5.78271597
0.00015058 -0.00143221 -0.00021550
-0.00561353 0.02531540 -0.00792138
0.94820853 -10.77610939 1.68321939
-0.00123578 -0.00060438 0.00045785
0.00280521 -0.00772412 0.01173708
0.05794501 -8.40781854 0.29447140
-0.00021817 -0.00030770 -0.00055631
-0.00047982 -0.01474668 -0.00982828
-20.22619539 -1.47074882 6.67680357
-0.00024900 -0.00034788 -0.00019905
0.00266508 0.00641948 -0.01884927
-21.28675801 0.22773409 4.47476233
0.00023929 -0.00064280 0.00021490
-0.00704981 0.01197666 -0.00312261
-3.81175907 8.30847350 -25.34215534
-0.00001184 -0.00017036 0.00055368
-0.00306662 0.00765455 0.04699367
-4.56566419 8.82975538 -22.26475293
-0.00008504 -0.00089024 -0.00001865
0.00935399 0.01855476 0.00129005
4.15238635 1.31214794 -0.89133267
0.00161608 0.00090082 0.00008939
-0.00561009 -0.00098755 -0.00490254
1.28633717 1.05706046 -1.62400037
-0.00018265 0.00016433 0.00076258
-0.00929382 -0.00444159 -0.01017783
15.72269312 7.68576638 6.29723637
-0.00054181 0.00035106 -0.00012830
0.00575915 -0.00231468 0.04155775
15.91496566 9.02793164 3.89654666
0.00040065 0.00088569 -0.00070211
-0.00455739 -0.00376438 -0.00919981
-0.29898650 -11.82068771 -13.19506324
0.00016713 -0.00000846 0.00022310
0.01022630 0.00065968 -0.00107958
-13.94575050 14.44593415 22.23635171
-0.00002000 -0.00013305 0.00015769
0.00153981 -0.00117483 0.00265903
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03044233
0.30998575
413.04046945
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1347106544
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3775191963 (a.u.)
total exchange computation time: 2.7313439846 s
-154.3620424667
-931.33369172
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1351865873
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3773235610 (a.u.)
total exchange computation time: 2.7203369141 s
-154.3687136355
Anderson extrapolation: theta=1.0072694332 (1.0072694332)
-931.33437458
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0561773256
ExchangeOperator: pair fraction: ispin=0: 0.1351865873
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3764556312 (a.u.)
total exchange computation time: 2.7267200947 s
-154.3767380291
Anderson extrapolation: theta=0.2483325503 (0.2483325503)
-931.33452281
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1346241211
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3754835722 (a.u.)
total exchange computation time: 2.6220738888 s
-154.3786711332
Anderson extrapolation: theta=-0.6935619654 (-0.6935619654)
-931.33387295
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1346241211
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3755738755 (a.u.)
total exchange computation time: 2.6219708920 s
-154.3779089090
Anderson extrapolation: theta=0.0126818346 (0.0126818346)
-931.33387331
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1346241211
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3755072189 (a.u.)
total exchange computation time: 2.6239449978 s
-154.3786444288
Anderson extrapolation: theta=3.3726587361 (2.0000000000)
-931.33388411
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1346241211
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3753514403 (a.u.)
total exchange computation time: 2.6179878712 s
-154.3803480502
Anderson extrapolation: theta=0.7013480622 (0.7013480622)
-931.33390241
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1346241211
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3752514258 (a.u.)
total exchange computation time: 2.6212589741 s
-154.3814384858
Anderson extrapolation: theta=0.4129472589 (0.4129472589)
-931.33391016
-164.319397 50.253475 -204.219548
-132.809198 460.763512 -801.275556
-297.128596 511.016987 -1005.495104
1166.380798
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1346241211
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3752278777 (a.u.)
total exchange computation time: 2.6198050976 s
678.87363697
-1083.97773427
89.91000624
-388.92347298
-174.84112091
78.48345169
551.60419304
0.00000000
-931.33391283
-10.89541644 -4.29622157 6.66945931
0.00015498 -0.00016155 0.00007092
-0.00385815 -0.00322233 0.00627090
-13.92050471 3.67131841 9.26074064
0.00016092 0.00027386 -0.00013250
-0.00373744 -0.00273041 -0.00306538
-15.94947214 1.44019787 3.43808386
0.00003310 0.00029392 -0.00000760
0.00776605 0.00772893 -0.05589106
2.63152565 -19.84637624 12.81300058
0.00018832 -0.00008930 -0.00010329
0.00465245 0.02339209 0.02908651
9.57336703 20.36377261 1.25325726
-0.00009104 0.00005893 0.00036812
0.02650499 0.00462251 -0.01538923
-12.11049058 12.55182432 15.20369162
-0.00011396 -0.00003585 -0.00000171
0.00036096 0.02113286 -0.01645984
-6.18904102 1.41813072 -12.46914175
0.00014359 -0.00026241 -0.00019006
-0.01527849 -0.00276856 0.03347411
-7.43458444 7.74046556 -6.03998247
-0.00008904 -0.00009354 -0.00032842
-0.02004012 0.01033860 -0.01080608
-7.77121756 -4.35773212 17.80919887
-0.00005306 -0.00007410 -0.00006980
0.00431710 0.01040365 0.00556143
-23.58681014 -5.18653458 -22.68702886
-0.00020812 -0.00030997 -0.00032003
-0.00681298 0.00521577 -0.02173362
6.60026260 12.75697159 6.04544772
0.00000129 -0.00001144 -0.00013421
-0.00846515 0.01828542 -0.04335624
24.78747029 30.53520925 -2.99584756
0.00016545 0.00012812 -0.00023572
-0.00575840 0.02927511 -0.00496657
7.92292804 -0.97573877 -14.54007459
0.00001980 0.00027512 0.00019725
0.00462888 -0.03421536 0.02929857
-7.37440603 -0.88158589 14.26943969
-0.00021908 0.00016343 -0.00035169
-0.02416888 -0.02468957 -0.02639427
-1.71550139 -26.18791850 11.23722060
0.00016883 0.00006041 -0.00012397
-0.01270718 -0.00810593 0.00914816
-14.02260879 -4.43688079 -6.98163687
0.00014005 0.00011321 0.00002899
-0.00277121 -0.02141650 -0.00471057
-19.99936811 -12.66769767 -17.67980135
0.00012466 -0.00018994 0.00012051
0.03181847 0.03269480 0.00886332
22.77877091 3.51178848 3.01066371
0.00016295 -0.00006395 0.00006170
0.01103290 0.03861843 0.01590850
17.65217641 -10.35293262 -14.38065840
-0.00013248 -0.00039212 -0.00012360
-0.01380889 -0.00116511 -0.00883942
-1.94488220 1.76900060 -7.03206996
0.00015820 -0.00013873 -0.00003367
-0.03162548 -0.01193498 0.00452711
-4.32229188 -3.00093814 -15.64379003
-0.00023747 0.00012171 -0.00004398
-0.01471055 -0.02002492 -0.00742311
13.41019619 17.32349652 -19.91475569
0.00005712 0.00008786 0.00030570
-0.02351984 -0.00223183 -0.01155167
-15.99555912 16.12466230 -12.09350514
0.00059722 0.00024088 0.00014613
-0.02580044 0.01579935 0.07008430
2.03187327 14.64483435 7.57915188
0.00048595 0.00028040 0.00009615
0.01617841 -0.02413774 -0.02391525
-5.36190031 -9.71311979 2.27659336
-0.00001833 -0.00021633 0.00021627
-0.01677694 0.03591951 -0.01785566
3.06337904 -6.54809608 2.67801797
-0.00009867 -0.00035385 0.00026020
-0.01777190 0.07559000 0.00893474
10.85267880 4.99270165 4.41502684
-0.00001730 0.00025534 0.00001149
-0.01913411 0.00924935 0.00408266
-8.53799568 -9.57205239 -2.94529693
-0.00000512 0.00030337 -0.00056721
0.02142215 -0.03033956 0.01804398
3.17975244 -15.94809784 -13.12689033
0.00024186 0.00000643 0.00006261
-0.03291528 0.04806218 -0.03427738
4.77399691 -8.33878403 -5.37492877
-0.00010557 0.00031425 0.00040736
0.00533531 0.02458324 -0.05780373
18.54636669 0.99311673 24.63615082
-0.00004783 0.00010080 -0.00021353
-0.00319104 0.01620095 -0.00466050
-8.56969098 3.10361004 1.18491556
-0.00032973 0.00003128 0.00011763
0.02026412 0.01787867 -0.00418953
-7.61496197 14.21971057 -10.36114787
0.00046508 -0.00001221 0.00028748
0.00461337 -0.01450552 0.02832113
1.69890614 11.44099367 -9.00414440
-0.00005474 0.00014552 0.00004109
0.02149016 0.02195750 0.04760023
-11.64629317 10.15004338 -13.88957136
0.00021547 0.00031161 -0.00023755
-0.02582541 0.00525848 0.01897571
6.86012708 4.46067447 14.72999439
-0.00037530 0.00021880 -0.00002720
0.02537567 0.04115824 -0.01814878
-14.87160305 9.12941465 -9.00648191
-0.00022489 -0.00029973 0.00028204
0.01429172 0.01993360 -0.01427165
8.48036386 8.19789741 -3.10828349
-0.00011620 -0.00001205 -0.00007449
0.01687602 0.03760466 0.04746234
13.79242843 -20.46202072 -25.90950898
0.00016843 -0.00007684 -0.00025292
-0.00208480 0.00293578 0.01978282
6.18346585 6.66787605 2.56896297
-0.00023123 0.00040178 -0.00012097
0.00548381 0.00115687 -0.01680587
18.99430386 -5.79592878 -6.68506975
-0.00044570 -0.00004998 -0.00014704
0.03461869 -0.01952702 -0.00527130
-1.68020080 -0.07275886 -2.66945221
-0.00008079 -0.00021824 0.00016300
-0.00823794 0.00031798 0.01670286
2.34085407 -1.80836515 -12.07721148
0.00022159 0.00014092 0.00020132
0.02936373 -0.03506644 -0.01628207
20.12493287 9.36697229 -5.32655465
-0.00051147 0.00013724 -0.00006332
-0.05319682 0.01899824 -0.02196057
-7.59043441 6.39091518 9.51625478
-0.00024214 -0.00016293 0.00005862
0.00480048 -0.00332517 -0.04974340
-2.54290576 -14.56919507 11.43908781
0.00015808 0.00002625 -0.00006631
-0.02283048 0.00472957 0.00916976
8.11811069 0.24606632 -4.91100493
-0.00005213 -0.00015465 -0.00000175
0.00459675 -0.03303271 0.01425489
-0.13406018 -10.26435214 0.31220182
-0.00012060 -0.00029621 -0.00021991
-0.00679513 0.01315977 -0.00244747
-20.23081234 -1.20125993 4.78282632
-0.00027280 0.00039238 0.00007731
0.01523594 -0.02983244 0.02294594
-4.56030069 7.69932100 -23.64320838
0.00012670 0.00023044 -0.00016962
-0.00938353 -0.03074503 -0.03435480
2.58936390 2.22323456 -1.09211710
0.00010372 -0.00036081 0.00024432
0.03380321 0.00930683 0.00044000
15.50078781 7.36826595 4.57162509
-0.00010552 -0.00034661 -0.00015057
-0.00029567 0.01881069 -0.03838768
-9.70073992 -4.62017565 8.00869164
-0.00136699 0.00040851 0.00036484
0.00081290 0.00143474 -0.00400710
-9.99966032 -4.15974328 5.05326809
0.00114594 -0.00137509 -0.00011947
0.00769142 -0.00746836 0.00719832
-12.72062296 4.74740577 8.37928702
0.00077569 -0.00017117 -0.00090983
-0.00336216 -0.01337455 0.00081590
-13.86088979 1.88999876 8.55875170
-0.00017422 0.00000270 -0.00029001
0.00744985 0.01892676 0.00687251
-15.48650471 2.15103173 4.95957629
-0.00035344 0.00033781 -0.00047344
0.01799101 0.01570098 0.04477583
-17.40434010 0.46748457 3.85230184
-0.00080428 0.00052052 -0.00047913
-0.02476353 -0.01976353 0.00774928
3.13389916 -21.33391352 11.89026742
-0.00049553 0.00010993 0.00092912
0.00045718 -0.01117950 -0.00025766
3.82219803 -19.40660858 14.21364115
0.00120516 0.00127921 0.00015500
-0.01215093 -0.00791527 -0.02685030
8.86218195 18.68669993 1.09502178
0.00006275 -0.00011500 -0.00016729
-0.01982586 0.00773620 0.00354149
8.64309968 21.73049176 2.06525012
0.00025976 -0.00048645 0.00025877
-0.01390308 -0.01434510 0.00535386
-11.30657498 11.75224991 16.58901138
-0.00038536 0.00031206 0.00111542
0.01468652 -0.00272168 0.01878170
-12.57997600 14.24079108 15.80895199
-0.00010576 0.00040796 0.00024854
-0.00056356 -0.00667881 -0.00526383
-5.16012423 0.18478644 -13.26259949
0.00001275 0.00034559 -0.00018310
0.00681336 -0.00962612 -0.01162215
-6.65834379 0.55324225 -10.81428617
0.00046249 0.00072017 -0.00124433
0.00354109 0.01707809 -0.01888150
-6.91927391 6.32444747 -5.05911921
-0.00015910 -0.00059159 0.00021059
0.00386173 -0.01414464 0.00901749
-9.12961006 8.07525285 -5.38201685
-0.00009697 0.00026806 0.00022826
0.01245691 -0.00227873 -0.00421284
-8.05975220 -3.03918927 19.07732741
0.00074991 0.00076990 0.00050783
0.00152527 -0.01673364 -0.00784850
-8.16675435 -6.00331812 18.48113571
-0.00115461 -0.00042709 0.00050281
-0.00307365 -0.00268420 0.00904587
-23.54768839 -3.53124370 -23.57723014
-0.00065485 -0.00066362 0.00032568
0.00031451 -0.01297771 0.01619457
-23.01216458 -5.05818978 -20.98086121
0.00005714 0.00023715 -0.00014650
0.00194377 0.01510821 0.00347536
7.08073769 13.23646565 4.28561276
0.00075249 -0.00002717 0.00017582
-0.01460753 0.00192320 0.01550162
8.14899479 11.98833627 6.45384474
0.00008721 0.00014593 0.00024729
0.02862253 -0.02185578 0.02182579
24.92325008 28.91266887 -2.30719997
0.00010697 0.00039264 -0.00019523
0.00163997 -0.03242041 0.00778959
24.11916804 31.56916589 -1.62732025
-0.00016622 0.00023161 0.00046876
-0.00278074 0.00269610 -0.00601243
9.18073937 -2.06928710 -15.42543182
-0.00031955 0.00063711 -0.00139665
-0.00062877 0.01076227 0.00267207
7.92636350 -2.02709211 -12.96674865
-0.00066889 -0.00086376 -0.00147385
-0.00849763 0.02264582 -0.02127412
-7.77208529 -0.17890616 15.85271031
0.00025265 0.00048348 -0.00018018
0.01567690 0.03497319 0.03296329
-8.82840372 -2.02268285 14.44331750
-0.00064631 -0.00052284 0.00053746
0.01490240 -0.00793697 -0.02106070
-2.43268210 -26.73994760 12.92569797
0.00104373 -0.00025688 0.00002835
0.00581172 0.00504117 -0.01768831
-3.08011592 -25.91465314 10.04443408
-0.00001450 0.00003058 -0.00093258
0.00226637 -0.00183176 0.00097366
-14.73661372 -2.90702667 -6.27994319
-0.00019503 0.00037194 -0.00015011
0.00508396 0.00994028 -0.00053059
-14.59591161 -4.70134994 -8.70044986
0.00060328 -0.00003290 0.00006691
-0.00158350 0.00556515 -0.00268164
-19.30223319 -11.07223926 -16.94419041
-0.00020819 0.00136706 0.00046898
-0.01810188 -0.01250923 -0.00208506
-18.27847561 -13.27376735 -18.04736597
0.00007997 -0.00007535 0.00041957
-0.01362523 -0.01694569 -0.00585970
24.14795636 3.69474895 1.79976228
-0.00015656 0.00043335 0.00048490
-0.00839842 -0.02008461 -0.01431615
22.97963382 5.16929527 3.80002094
-0.00007264 -0.00014086 0.00003729
-0.01352385 -0.00906028 0.00974135
16.29607579 -10.00310954 -13.12661338
-0.00059107 0.00051334 0.00120024
0.00984764 0.00515046 -0.01889288
17.01692724 -10.12904795 -16.14400078
-0.00000237 -0.00008376 -0.00033596
0.00437243 0.00555045 0.02767854
-0.37823518 2.04067131 -7.91631378
0.00066269 -0.00074659 0.00036444
0.01833914 -0.00341555 -0.00762777
-2.28804388 -0.05060259 -6.98527970
-0.00007933 -0.00031134 0.00048246
0.00621654 0.01513528 -0.01672224
-5.41423174 -4.06255167 -16.74325931
0.00054350 -0.00121682 -0.00023078
0.01570453 0.01819480 0.01401098
-3.87454803 -1.54893823 -16.64597188
-0.00103218 0.00019008 -0.00036037
0.00072143 0.00296777 -0.01165990
12.44415899 18.83591490 -20.45727070
-0.00056133 0.00032664 0.00047908
0.01434605 0.00899323 -0.00083775
11.93450968 16.20445714 -20.17332242
0.00078248 0.00003950 -0.00014510
0.01744618 -0.00790343 0.00261079
-15.39392607 15.72728724 -13.65433854
-0.00026216 -0.00001894 -0.00013339
0.03259257 -0.01458256 -0.06534181
-17.47342119 15.03491383 -12.10796359
0.00027026 -0.00056232 0.00010994
-0.00333727 0.00398361 0.00248234
2.40606835 15.07250652 5.79385372
-0.00100028 0.00021164 0.00011232
0.01008381 -0.01017493 0.00939655
0.75157534 15.79270103 7.89758928
0.00019888 0.00015820 -0.00121490
-0.03840131 0.02676646 0.01972557
-5.87961475 -8.08455936 1.31958308
0.00017061 0.00071260 0.00049787
0.01661491 -0.04353755 0.02833413
-3.61836677 -10.05037897 1.81516573
-0.00027667 -0.00114295 0.00039696
0.00805602 0.00704207 -0.00730858
2.83959816 -4.56693717 2.92688845
0.00131753 0.00134564 0.00014870
0.00658911 -0.05805339 -0.00442254
4.49133217 -6.65042848 1.53999765
0.00028009 -0.00031307 0.00050011
0.00975367 -0.00544683 -0.00265677
9.30017667 5.78007418 3.76252980
-0.00025340 0.00063367 -0.00147707
0.00507492 0.00145450 0.00417313
12.03724602 6.35602704 4.71642865
-0.00011937 0.00011698 -0.00008494
0.00579483 0.00461954 0.00208587
-7.26036599 -10.97450466 -2.53474227
-0.00010180 0.00016748 0.00012278
-0.03129022 0.03244618 -0.00863187
-9.59743822 -9.35052098 -1.44187096
0.00029997 -0.00055481 0.00059180
0.00586425 -0.00501468 -0.00839665
4.44230917 -16.27474959 -14.32062968
-0.00090181 0.00153735 -0.00052250
0.01979382 0.00156031 -0.02546641
3.71859397 -17.01069058 -11.88922498
-0.00059076 -0.00058209 0.00047532
0.00665640 -0.04425750 0.05985337
5.70074994 -6.82528318 -6.11542664
-0.00024936 -0.00008319 -0.00046864
-0.01358559 -0.02587195 0.01935009
4.95885265 -8.20347391 -3.63387875
-0.00019361 -0.00030080 0.00089217
0.00559861 0.00303357 0.03905980
16.93175306 1.87040699 24.72688399
0.00035297 0.00100007 0.00012999
-0.00798655 -0.01266950 -0.00125350
19.66748642 2.45159569 24.38202244
-0.00040045 0.00038096 -0.00052106
0.00778917 -0.01000207 0.00990165
-9.81190283 4.01059751 2.33959964
-0.00016329 0.00031165 -0.00021263
0.00411456 -0.01924526 -0.00591060
-7.29490372 4.43548755 0.96244503
0.00085931 -0.00084370 0.00000463
-0.00964264 -0.00800915 -0.00446600
-6.26307639 14.15536687 -9.03925467
0.00012450 -0.00024295 0.00005574
-0.02182133 0.00569551 -0.01941585
-9.16123908 13.63532933 -9.45904698
-0.00056213 -0.00062384 0.00042968
0.01895273 0.00670446 -0.00927212
0.48046873 10.86769427 -7.75482530
0.00047379 -0.00049467 0.00030853
-0.01112709 -0.00840242 -0.01251357
2.79065537 12.27207027 -7.60642401
0.00103752 -0.00047551 0.00005733
-0.00891247 -0.00920047 -0.03602890
-10.16255692 9.13105375 -13.74726045
0.00083846 -0.00023963 0.00039889
0.00806022 -0.00947052 0.00518119
-12.66631988 9.84215792 -12.33092654
-0.00049585 -0.00069019 0.00073619
0.01750663 -0.00100706 -0.02202976
7.32478509 6.33441751 14.57879828
-0.00015929 0.00061296 -0.00113087
-0.01906812 -0.01884945 0.02140051
7.32617559 4.42069080 12.94342277
0.00037320 -0.00027516 0.00035254
-0.00227293 -0.03115019 -0.00937239
-13.65677169 10.53525941 -8.51462398
0.00011812 -0.00022885 0.00015736
-0.02339477 -0.00920583 0.00061880
-16.26904347 9.88183188 -9.96459105
-0.00078370 -0.00004614 -0.00029260
0.00527476 -0.00893494 0.01401519
8.19263352 9.96124131 -2.46971717
-0.00048373 -0.00045237 -0.00063829
0.01033516 -0.02631603 0.00405674
7.67766907 8.48441551 -4.63440321
0.00124138 -0.00031903 0.00016398
-0.02693948 -0.00653404 -0.04541737
12.07392021 -20.06833998 -26.33262245
-0.00054742 0.00064656 0.00049976
-0.00248553 0.00041992 -0.00629387
13.75777349 -20.24010305 -24.03466693
0.00042485 -0.00095953 0.00023441
0.00215354 0.00109490 -0.00943310
5.91670057 4.89795673 2.20637565
0.00045480 -0.00080677 -0.00143700
-0.00420321 -0.01509024 0.01223746
6.45081825 7.22949937 0.84653415
0.00042069 -0.00036756 0.00017181
0.00389845 0.01240053 -0.00029363
20.46440568 -6.42782692 -5.74095717
0.00019815 -0.00006262 0.00028165
-0.01766120 0.00520895 -0.00690500
17.74594241 -5.26448595 -5.51428800
0.00006930 0.00020268 -0.00067321
-0.02083460 0.01242657 0.01725551
-2.39404242 0.42580429 -1.03080621
0.00140646 -0.00010490 -0.00042449
-0.00719896 -0.00333322 -0.01042647
-2.44671696 0.97162856 -4.05629324
0.00075904 0.00007506 -0.00015990
0.01777085 -0.00310286 0.01826630
3.62448682 -3.21544614 -12.20516358
-0.00031722 0.00085013 -0.00009293
-0.01658107 0.02537013 0.00206154
0.76469058 -2.73581385 -11.57770736
-0.00063931 -0.00125943 0.00034157
-0.00059533 0.00802389 0.00452488
19.14568406 8.40535895 -6.57861417
-0.00097226 -0.00051244 -0.00076451
0.02097430 0.00477560 0.00477906
21.66450530 8.61086001 -4.92184840
-0.00065264 -0.00031915 -0.00062258
0.03844452 -0.02634725 0.00833426
-7.27855513 4.61298461 9.03002453
0.00066945 -0.00008547 0.00067792
0.00004208 0.00241668 0.00532215
-7.81165276 6.30057119 11.23925097
-0.00101345 0.00019397 0.00065561
-0.00960873 -0.00164842 0.05204583
-3.19293760 -16.22028133 11.09123128
0.00024153 0.00007808 -0.00113720
0.01233565 -0.01994036 -0.00359736
-4.20564162 -13.79380541 11.51263085
-0.00034108 -0.00008430 -0.00064553
0.00677252 0.01031042 -0.00161639
8.58038489 0.57472989 -3.18899911
0.00064647 0.00018472 0.00082597
-0.00159581 -0.00050298 0.00171649
7.85576471 1.78274497 -5.78619120
0.00012559 -0.00131425 -0.00025472
-0.00661933 0.03242521 -0.01127506
0.92975786 -10.78541173 1.69044677
-0.00122320 -0.00063517 0.00050608
0.00335239 -0.00734866 0.01187051
0.05465772 -8.41288592 0.28582558
-0.00021957 -0.00036761 -0.00059550
-0.00020559 -0.01457733 -0.00935675
-20.22984879 -1.47577030 6.67324028
-0.00023809 -0.00032093 -0.00027339
0.00267709 0.00677366 -0.01754259
-21.28338473 0.21845902 4.47789013
0.00019902 -0.00057923 0.00019929
-0.01265901 0.01914304 -0.00451813
-3.81203058 8.30615272 -25.33241012
-0.00002156 -0.00013603 0.00073878
-0.00169159 0.00914643 0.04361391
-4.56665318 8.81697035 -22.26499315
-0.00004645 -0.00080773 -0.00000564
0.00953476 0.02183621 0.00507961
4.17645557 1.32562992 -0.89014204
0.00158167 0.00089934 0.00006728
-0.01123225 0.00026433 -0.00592128
1.28331264 1.05938934 -1.61287361
-0.00022017 0.00014137 0.00071962
-0.00907353 -0.00679913 -0.01085173
15.71474238 7.69096131 6.29658528
-0.00051877 0.00034167 0.00003849
0.00552045 -0.00227877 0.04009079
15.92083576 9.04110165 3.88573310
0.00037708 0.00085179 -0.00073155
-0.00697982 -0.01282903 -0.00521273
-0.29645206 -11.82081291 -13.19171970
0.00017078 -0.00000823 0.00022271
0.01017355 0.00063011 -0.00107358
-13.94604787 14.44393641 22.23872173
-0.00001964 -0.00013330 0.00015831
0.00159860 -0.00104292 0.00264629
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03027633
0.30363650
404.58041805
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1357057869
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3608676352 (a.u.)
total exchange computation time: 2.6478121281 s
-154.2965496022
-931.32783836
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1357057869
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3603533683 (a.u.)
total exchange computation time: 2.6497459412 s
-154.3017144206
Anderson extrapolation: theta=1.3632727577 (1.3632727577)
-931.32809354
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1357057869
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3595452165 (a.u.)
total exchange computation time: 2.6472239494 s
-154.3093620865
Anderson extrapolation: theta=0.0664891586 (0.0664891586)
-931.32825251
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1357057869
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3594067646 (a.u.)
total exchange computation time: 2.6487870216 s
-154.3103907083
Anderson extrapolation: theta=2.2546982285 (2.0000000000)
-931.32826138
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1357057869
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3591027693 (a.u.)
total exchange computation time: 2.6496181488 s
-154.3125341054
Anderson extrapolation: theta=0.3707713669 (0.3707713669)
-931.32827286
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1357057869
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3589886010 (a.u.)
total exchange computation time: 2.6466000080 s
-154.3132446110
Anderson extrapolation: theta=1.0961444634 (1.0961444634)
-931.32827589
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1357057869
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3588849227 (a.u.)
total exchange computation time: 2.6484930515 s
-154.3137979410
Anderson extrapolation: theta=0.4711919692 (0.4711919692)
-931.32827828
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1357057869
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3588607674 (a.u.)
total exchange computation time: 2.6509089470 s
-154.3138323813
Anderson extrapolation: theta=0.8375120537 (0.8375120537)
-931.32827914
-164.350041 50.228949 -204.170250
-132.793937 460.770596 -801.311810
-297.143978 510.999544 -1005.482059
1166.365830
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1357057869
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3588608187 (a.u.)
total exchange computation time: 2.6471021175 s
678.62909116
-1083.45049107
89.92947852
-389.27952223
-174.79797517
78.19491185
551.60419304
0.00000000
-931.32827961
-10.89310660 -4.29865722 6.67054730
0.00015218 -0.00016281 0.00007197
-0.00703906 -0.00170454 -0.00220347
-13.91810533 3.67541577 9.25874134
0.00015974 0.00027263 -0.00013471
-0.00086560 -0.00204426 -0.00552814
-15.94894567 1.44463652 3.43775434
0.00003596 0.00029684 -0.00003700
0.00335335 0.00359677 -0.05844192
2.63436834 -19.84762551 12.81156338
0.00019109 -0.00007533 -0.00008643
0.00613437 0.03091328 0.03650263
9.57210364 20.36467440 1.25871975
-0.00007690 0.00006012 0.00035968
0.02848229 -0.00001410 -0.01743060
-12.11219863 12.55136804 15.20360251
-0.00011330 -0.00002491 -0.00000871
0.00220248 0.02142866 -0.01078051
-6.18694613 1.41418384 -12.47186355
0.00013569 -0.00026217 -0.00017420
-0.01542559 0.00372982 0.02820122
-7.43599741 7.73910239 -6.04495040
-0.00009928 -0.00008938 -0.00033295
-0.01976432 0.00582664 -0.00680938
-7.77199686 -4.35880352 17.80817331
-0.00005141 -0.00006904 -0.00006539
0.00209390 0.00926691 0.01160801
-23.58995827 -5.19116396 -22.69191314
-0.00021140 -0.00030805 -0.00032991
-0.00594407 0.00224354 -0.01670296
6.60024936 12.75687056 6.04326729
-0.00000262 -0.00000230 -0.00015611
-0.00673702 0.01725984 -0.04178418
24.78992976 30.53724402 -2.99940250
0.00016199 0.00014416 -0.00023742
-0.00768951 0.03310526 -0.00163902
7.92324292 -0.97174398 -14.53700280
0.00002247 0.00025785 0.00021059
0.00573454 -0.03294825 0.02257493
-7.37778551 -0.87922970 14.26406260
-0.00023262 0.00015013 -0.00036450
-0.02845721 -0.02703867 -0.02344514
-1.71301790 -26.18704358 11.23539629
0.00016189 0.00005650 -0.00012034
-0.01429803 -0.00710911 0.00499372
-14.02051875 -4.43526520 -6.98122020
0.00013850 0.00010273 0.00002707
-0.00325391 -0.01936490 -0.00274157
-19.99737542 -12.67042063 -17.67795946
0.00014109 -0.00017145 0.00012588
0.03205835 0.03919807 0.01199157
22.78125779 3.51097812 3.01165061
0.00016797 -0.00004434 0.00007028
0.00845506 0.03766325 0.01745036
17.65013588 -10.35881899 -14.38254648
-0.00014088 -0.00039230 -0.00012687
-0.01882860 0.00048798 -0.00386541
-1.94263122 1.76687366 -7.03255747
0.00014224 -0.00014516 -0.00003143
-0.03041090 -0.01308421 0.00417218
-4.32591071 -2.99918978 -15.64447835
-0.00024520 0.00011111 -0.00004816
-0.01535586 -0.02119896 -0.00885466
13.41096230 17.32480581 -19.91021469
0.00004537 0.00008773 0.00029967
-0.02218275 0.00172742 -0.01191779
-15.98670028 16.12833643 -12.09104285
0.00058319 0.00024790 0.00018146
-0.02877746 0.01149228 0.06732119
2.03922487 14.64894732 7.58050185
0.00049383 0.00026815 0.00008426
0.01446607 -0.02350574 -0.02231326
-5.36223994 -9.71622616 2.27976848
-0.00002732 -0.00019750 0.00020707
-0.01818440 0.03728070 -0.01789283
3.06183044 -6.55311219 2.68195549
-0.00010741 -0.00031366 0.00026460
-0.01620352 0.08067868 0.00814327
10.85234553 4.99656742 4.41521500
-0.00002855 0.00026042 0.00001289
-0.02463350 0.01050281 0.00134552
-8.53798982 -9.56761888 -2.95373541
0.00000523 0.00028764 -0.00055655
0.01880684 -0.03084225 0.02339990
3.18325343 -15.94781602 -13.12608343
0.00022412 0.00003065 0.00004729
-0.03609811 0.04611923 -0.02530642
4.77243398 -8.33397553 -5.36904136
-0.00010295 0.00032654 0.00037882
0.00484764 0.02324131 -0.05317179
18.54563690 0.99469126 24.63292994
-0.00004966 0.00010954 -0.00021587
-0.00391496 0.01776146 -0.00445200
-8.57455883 3.10414821 1.18666385
-0.00031885 0.00004032 0.00011511
0.02204586 0.01727270 -0.00561326
-7.60796803 14.21947152 -10.35672640
0.00046556 -0.00002021 0.00030210
-0.00274879 -0.01660074 0.02851925
1.69816789 11.44326117 -9.00334447
-0.00004338 0.00015675 0.00006564
0.02268121 0.02172292 0.04787050
-11.64316081 10.15473777 -13.89306134
0.00020272 0.00031288 -0.00022597
-0.02373387 -0.00032258 0.02605191
6.85459553 4.46411526 14.72951641
-0.00036217 0.00024019 -0.00003631
0.02564675 0.04200801 -0.01730066
-14.87492128 9.12499565 -9.00230632
-0.00021842 -0.00028880 0.00027404
0.01088001 0.02257077 -0.01684392
8.47868593 8.19786166 -3.10921781
-0.00010660 0.00000619 -0.00004874
0.02044339 0.03334297 0.05267722
13.79494683 -20.46316202 -25.91322645
0.00016607 -0.00007498 -0.00024242
-0.00708662 0.00428910 0.02104240
6.18001857 6.67390719 2.56708354
-0.00022871 0.00039942 -0.00012956
0.00429923 -0.01033742 -0.01660023
18.98775186 -5.79675387 -6.68729567
-0.00042599 -0.00006078 -0.00015007
0.04201690 -0.02245886 -0.00649951
-1.68144440 -0.07603125 -2.66694276
-0.00008407 -0.00021861 0.00016988
-0.00453566 -0.00176447 0.01002778
2.34429123 -1.80638655 -12.07425447
0.00023416 0.00012289 0.00019350
0.01949005 -0.03504986 -0.01411648
20.11705561 9.36910417 -5.32758914
-0.00053932 0.00014597 -0.00007575
-0.05510333 0.01495753 -0.02636537
-7.59404802 6.38845844 9.51694227
-0.00023986 -0.00016455 0.00003533
0.00408855 -0.00297015 -0.04085269
-2.54062269 -14.56878300 11.43812847
0.00014560 0.00002864 -0.00006170
-0.02569047 0.00453321 0.00875486
8.11734648 0.24361921 -4.91097623
-0.00004902 -0.00017286 0.00000844
0.00751263 -0.03780165 0.02538282
-0.13589545 -10.26874450 0.30889372
-0.00012416 -0.00028980 -0.00022116
-0.00701862 0.01177285 -0.00242387
-20.23484560 -1.19548932 4.78407443
-0.00026356 0.00037523 0.00008897
0.02070906 -0.03685117 0.02241753
-4.55843642 7.70265908 -23.64588514
0.00012134 0.00021351 -0.00018697
-0.01143292 -0.03511094 -0.03313210
2.59105015 2.21785824 -1.08845064
0.00012231 -0.00035585 0.00024488
0.03847245 0.00998632 0.00173511
15.49920387 7.36313939 4.56921848
-0.00010497 -0.00033479 -0.00017037
0.00242494 0.02714695 -0.03860493
-9.72121991 -4.61400402 8.01404152
-0.00135413 0.00041187 0.00035897
0.00548456 0.00020863 0.00112927
-9.98223548 -4.18059847 5.05169661
0.00117370 -0.00140574 -0.00008373
0.00589425 -0.00753420 0.01029883
-12.70909067 4.74442831 8.36566454
0.00075676 -0.00022936 -0.00090272
-0.00590099 -0.01510786 0.00266561
-13.86327483 1.89061918 8.55461220
-0.00014419 0.00008207 -0.00026012
0.00725035 0.01992966 0.00775673
-15.49125500 2.15657997 4.95384681
-0.00027846 0.00040537 -0.00028314
0.01871034 0.01737289 0.04837683
-17.41716318 0.47468673 3.84535241
-0.00089822 0.00044490 -0.00044883
-0.02121841 -0.01725245 0.00707902
3.12648025 -21.33260718 11.90419633
-0.00048892 0.00005323 0.00092130
0.00277729 -0.01657453 -0.00356835
3.83990316 -19.38766291 14.21514341
0.00114796 0.00124327 0.00003631
-0.01584883 -0.00967873 -0.03125152
8.86251573 18.68521193 1.09262099
-0.00001756 -0.00008148 -0.00015256
-0.01948992 0.00867581 0.00366834
8.64657010 21.72275541 2.06929567
0.00019836 -0.00053833 0.00028457
-0.01615407 -0.01104880 0.00727881
-11.31190529 11.75684747 16.60631824
-0.00032984 0.00030496 0.00118328
0.01249104 -0.00075435 0.01443445
-12.58157965 14.24670584 15.81251882
-0.00010718 0.00037572 0.00022407
-0.00013177 -0.00910381 -0.00671614
-5.15972422 0.18967531 -13.26570207
0.00004514 0.00030086 -0.00023386
0.00904371 -0.01227199 -0.01322484
-6.65129792 0.56456814 -10.83352977
0.00047311 0.00078237 -0.00130838
0.00165855 0.01336821 -0.01247056
-6.92154207 6.31514023 -5.05568399
-0.00014661 -0.00064001 0.00024078
0.00225212 -0.00956011 0.00575795
-9.13068292 8.07920394 -5.37872201
-0.00004311 0.00025819 0.00020959
0.01390750 -0.00255295 -0.00492722
-8.04845687 -3.02815352 19.08470439
0.00075732 0.00069309 0.00046764
0.00210378 -0.02086776 -0.01182436
-8.18416764 -6.00980666 18.48895511
-0.00116371 -0.00042702 0.00053519
-0.00138048 0.00271494 0.00680468
-23.55750156 -3.54159570 -23.57184863
-0.00065334 -0.00070952 0.00038668
0.00042533 -0.00948891 0.01366239
-23.01124785 -5.05416961 -20.98295221
0.00006369 0.00029722 -0.00013693
0.00125876 0.01429681 0.00121124
7.09157738 13.23611700 4.28872503
0.00069237 -0.00001871 0.00023692
-0.01482114 0.00221990 0.01440877
8.15118009 11.98985543 6.45822287
0.00020117 0.00005785 0.00033641
0.02715831 -0.02125790 0.02179986
24.92490496 28.91756502 -2.30988979
0.00011413 0.00025710 -0.00016239
0.00186195 -0.03393007 0.00828756
24.11658952 31.57272272 -1.62047315
-0.00017413 0.00023760 0.00043642
-0.00109056 0.00023333 -0.00981571
9.17592685 -2.05940070 -15.44629969
-0.00032472 0.00068333 -0.00138199
-0.00190115 0.01186290 0.00450391
7.91606973 -2.03935460 -12.98950834
-0.00070288 -0.00077623 -0.00155172
-0.00814088 0.02020016 -0.01684014
-7.76781521 -0.17058234 15.85101763
0.00031685 0.00062345 -0.00005047
0.01574984 0.03354377 0.03053159
-8.83764171 -2.03076864 14.45073397
-0.00057678 -0.00054746 0.00045129
0.01913192 -0.00411416 -0.02111575
-2.41684798 -26.74364636 12.92558115
0.00106445 -0.00023642 -0.00004305
0.00433018 0.00497577 -0.01726311
-3.08026402 -25.91425056 10.03047520
0.00000119 0.00002149 -0.00092118
0.00541438 -0.00261834 0.00460472
-14.73938341 -2.90114290 -6.28221115
-0.00017238 0.00040852 -0.00015387
0.00600510 0.00796341 -0.00130582
-14.58691092 -4.70167296 -8.69952845
0.00059602 -0.00001033 0.00005353
-0.00196853 0.00548399 -0.00386599
-19.30591075 -11.05211675 -16.93721956
-0.00028544 0.00130139 0.00045360
-0.01971161 -0.01963638 -0.00544538
-18.27769363 -13.27541686 -18.04125200
0.00002623 -0.00014320 0.00039569
-0.01267916 -0.01626979 -0.00583107
24.14535061 3.70063369 1.80659712
-0.00018559 0.00035160 0.00042181
-0.00580970 -0.01993049 -0.01657003
22.97812976 5.16690471 3.80087879
-0.00012797 -0.00017617 0.00007836
-0.01356064 -0.00822442 0.01036297
16.28751154 -9.99525161 -13.10918873
-0.00054012 0.00053160 0.00111163
0.01509038 0.00378907 -0.02448170
17.01702569 -10.13013427 -16.14819207
0.00001498 -0.00006116 -0.00022080
0.00412165 0.00551038 0.02869471
-0.36773292 2.02936778 -7.91108098
0.00073548 -0.00076050 0.00033454
0.01729428 -0.00339444 -0.00700491
-2.28904329 -0.05480883 -6.97855516
-0.00005373 -0.00024714 0.00041375
0.00631234 0.01628875 -0.01691310
-5.40559808 -4.08024646 -16.74629167
0.00060974 -0.00113909 -0.00017062
0.01672425 0.01985667 0.01543945
-3.89000864 -1.54599603 -16.65173476
-0.00102935 0.00020149 -0.00040757
0.00066215 0.00261672 -0.01144344
12.43617867 18.84109007 -20.45011022
-0.00050025 0.00035945 0.00047734
0.01555133 0.00706829 -0.00001408
11.94678156 16.20480740 -20.17541895
0.00084872 0.00000325 -0.00013535
0.01497570 -0.00984165 0.00216376
-15.39685972 15.72655625 -13.65834162
-0.00013029 -0.00007738 -0.00039717
0.03195701 -0.01402372 -0.06378277
-17.46946959 15.02660112 -12.10623838
0.00026476 -0.00053884 0.00012113
0.00064768 0.00751080 0.00299332
2.39137320 15.07536927 5.79582650
-0.00095464 0.00016938 0.00014526
0.01225479 -0.01050965 0.00672535
0.75338188 15.79589417 7.87997026
0.00004093 0.00026715 -0.00113160
-0.03892011 0.02656758 0.02104757
-5.87654653 -8.07520445 1.32791932
0.00024032 0.00053044 0.00061481
0.01750818 -0.04563296 0.02890883
-3.62226997 -10.06730738 1.82089619
-0.00024243 -0.00111304 0.00036584
0.00870294 0.00759700 -0.00792709
2.85956303 -4.54853144 2.92898347
0.00134261 0.00109820 0.00013045
0.00568534 -0.06307222 -0.00451341
4.49583247 -6.65529139 1.54741789
0.00031815 -0.00033644 0.00049052
0.00887652 -0.00599438 -0.00203533
9.29653119 5.78962381 3.74050170
-0.00022383 0.00063498 -0.00145475
0.00939761 -0.00081196 0.00674940
12.03563301 6.35792325 4.71521839
-0.00009405 0.00013787 -0.00007608
0.00659919 0.00560563 0.00225264
-7.26285177 -10.97099822 -2.53316511
-0.00022842 0.00030043 0.00008494
-0.03069360 0.03263450 -0.00988946
-9.59275902 -9.35899679 -1.43325132
0.00032736 -0.00057443 0.00054932
0.00754661 -0.00459164 -0.01239757
4.42938857 -16.25164147 -14.32924751
-0.00081215 0.00154000 -0.00063146
0.02409609 -0.00026643 -0.02787040
3.70993655 -17.02077817 -11.88026111
-0.00056565 -0.00075610 0.00070695
0.00563381 -0.04091897 0.05352952
5.69659328 -6.82732385 -6.12186328
-0.00030396 -0.00018739 -0.00038713
-0.01314524 -0.02513419 0.02055113
4.95612011 -8.20789290 -3.61929928
-0.00017072 -0.00028778 0.00104058
0.00560473 0.00333584 0.03358903
16.93680292 1.88501977 24.72879536
0.00032043 0.00094588 0.00012536
-0.00794564 -0.01385766 -0.00101132
19.66171840 2.45700366 24.37451001
-0.00036712 0.00033870 -0.00048053
0.00852410 -0.01068591 0.00993493
-9.81422605 4.01468255 2.33622909
-0.00014683 0.00023481 -0.00023508
0.00394359 -0.01836707 -0.00507842
-7.28230956 4.42258662 0.96237756
0.00081639 -0.00087730 -0.00001272
-0.01136666 -0.00843768 -0.00402591
-6.26187761 14.15189712 -9.03901359
0.00003933 -0.00021982 -0.00001897
-0.01986716 0.00562976 -0.01715275
-9.16909019 13.62617721 -9.45288592
-0.00047372 -0.00059235 0.00038620
0.02432434 0.00870804 -0.01201103
0.48723462 10.86001673 -7.75058076
0.00042887 -0.00052809 0.00025743
-0.01086411 -0.00795507 -0.01250110
2.80594512 12.26465564 -7.60666809
0.00099791 -0.00051355 -0.00009078
-0.01047878 -0.00941975 -0.03647168
-10.14973304 9.12716907 -13.74111830
0.00085965 -0.00027032 0.00041834
0.00231408 -0.00555121 0.00433841
-12.67322115 9.83177428 -12.32055877
-0.00041716 -0.00069120 0.00063476
0.02101372 0.00050909 -0.02762197
7.32181141 6.34303434 14.56249099
-0.00023893 0.00053383 -0.00104261
-0.01991503 -0.01988454 0.02180592
7.33170393 4.41560889 12.94842364
0.00036440 -0.00040299 0.00031174
-0.00203642 -0.03142387 -0.01059626
-13.65571680 10.53154454 -8.51224459
0.00002125 -0.00026714 0.00015950
-0.02402353 -0.00953656 0.00043012
-16.28063729 9.88086605 -9.96855064
-0.00075370 -0.00008702 -0.00022973
0.00940950 -0.01107666 0.01676368
8.18569434 9.95364941 -2.47916723
-0.00044253 -0.00055319 -0.00061807
0.00983252 -0.02304032 0.00584232
7.69546433 8.47942990 -4.63333525
0.00112487 -0.00034466 -0.00003649
-0.03009664 -0.00601588 -0.05271533
12.06563274 -20.05862873 -26.32531886
-0.00054709 0.00064587 0.00047619
0.00264862 -0.00075608 -0.00524732
13.76421228 -20.25446249 -24.03143990
0.00043359 -0.00095486 0.00019147
0.00212538 0.00119473 -0.01158320
5.92339383 4.88539273 2.18519558
0.00043984 -0.00085042 -0.00138076
-0.00312110 -0.00627576 0.01529340
6.45724799 7.22436599 0.84910237
0.00043729 -0.00031236 0.00016437
0.00423018 0.01462008 -0.00335216
20.46683669 -6.42860653 -5.73694396
0.00011812 -0.00003826 0.00024887
-0.02151200 0.00671462 -0.00914459
17.74634351 -5.26106494 -5.52385743
-0.00002282 0.00025638 -0.00059598
-0.02425938 0.01385826 0.02054949
-2.37316615 0.42412865 -1.03749304
0.00137011 -0.00011400 -0.00045494
-0.01059254 -0.00112023 -0.00447866
-2.43478683 0.97265930 -4.05813200
0.00083094 0.00006290 -0.00008486
0.01742440 -0.00284824 0.01846534
3.61922048 -3.20191676 -12.20649434
-0.00037732 0.00094626 -0.00008490
-0.01283859 0.02168508 0.00186830
0.75508271 -2.75445949 -11.57244523
-0.00063111 -0.00121899 0.00035645
0.00461049 0.01177160 0.00276195
19.13174286 8.39781875 -6.58993531
-0.00088025 -0.00048536 -0.00073547
0.02406773 0.00847951 0.00943675
21.65589374 8.60526541 -4.93093165
-0.00049655 -0.00042601 -0.00058871
0.03796353 -0.02596033 0.00824169
-7.26851211 4.61177668 9.04035645
0.00066924 -0.00007700 0.00069906
-0.00014255 0.00172727 0.00502594
-7.82714895 6.30343025 11.25067994
-0.00105095 0.00018813 0.00085183
-0.00874838 -0.00121191 0.04400757
-3.18893664 -16.21972111 11.07406303
0.00029286 -0.00000088 -0.00115115
0.01279291 -0.01871161 -0.00323104
-4.21055026 -13.79475403 11.50289843
-0.00030857 -0.00004458 -0.00065211
0.00914045 0.00913647 -0.00160735
8.59003305 0.57748521 -3.17655700
0.00063550 0.00018028 0.00081658
-0.00377466 -0.00166913 -0.00630965
7.85744575 1.76402483 -5.79035744
0.00009681 -0.00116909 -0.00030679
-0.00746915 0.03863046 -0.01421487
0.91151264 -10.79516444 1.69840165
-0.00120902 -0.00066403 0.00055396
0.00358605 -0.00678096 0.01157074
0.05135783 -8.41884670 0.27660632
-0.00021974 -0.00042594 -0.00063268
0.00012272 -0.01397630 -0.00884127
-20.23333811 -1.48037664 6.66860187
-0.00022713 -0.00029271 -0.00034153
0.00268683 0.00703750 -0.01581054
-21.28078727 0.21035716 4.48074102
0.00013636 -0.00048707 0.00017812
-0.01801650 0.02597265 -0.00584305
-3.81240577 8.30439248 -25.31999197
-0.00002503 -0.00009530 0.00090819
-0.00001041 0.01079157 0.03931201
-4.56705782 8.80552357 -22.26492205
-0.00000725 -0.00071314 0.00002173
0.00965580 0.02446513 0.00831843
4.19983641 1.33912810 -0.88931431
0.00152496 0.00090239 0.00004121
-0.01652485 0.00122975 -0.00684033
1.27973202 1.06130154 -1.60241191
-0.00025616 0.00010953 0.00067419
-0.00854539 -0.00878510 -0.01138605
15.70712998 7.69601658 6.29839120
-0.00049705 0.00033191 0.00019583
0.00511448 -0.00249979 0.03692606
15.92627810 9.05348543 3.87460008
0.00034413 0.00078303 -0.00074536
-0.00914988 -0.02083141 -0.00154737
-0.29386300 -11.82093473 -13.18838192
0.00017441 -0.00000802 0.00022233
0.01008201 0.00059325 -0.00106551
-13.94633967 14.44193503 22.24110097
-0.00001926 -0.00013353 0.00015892
0.00166576 -0.00086893 0.00262049
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03056499
0.29771462
396.68980654
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1362249865
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3437885694 (a.u.)
total exchange computation time: 2.6822428703 s
-154.2321178907
-931.32308283
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1362249865
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3434634250 (a.u.)
total exchange computation time: 2.6813180447 s
-154.2361542094
Anderson extrapolation: theta=1.3573443732 (1.3573443732)
-931.32335471
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1362249865
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3429530710 (a.u.)
total exchange computation time: 2.6831929684 s
-154.2421173871
Anderson extrapolation: theta=0.0547168059 (0.0547168059)
-931.32351946
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1362249865
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3428687567 (a.u.)
total exchange computation time: 2.6841099262 s
-154.2428885235
Anderson extrapolation: theta=2.0227160199 (2.0000000000)
-931.32352634
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1362249865
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3426844898 (a.u.)
total exchange computation time: 2.6826131344 s
-154.2444916560
Anderson extrapolation: theta=0.2511098913 (0.2511098913)
-931.32353434
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1362249865
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3426376898 (a.u.)
total exchange computation time: 2.6825459003 s
-154.2448390948
Anderson extrapolation: theta=1.8068625656 (1.8068625656)
-931.32353608
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1362249865
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3425738555 (a.u.)
total exchange computation time: 2.6838879585 s
-154.2452517886
Anderson extrapolation: theta=0.3097934851 (0.3097934851)
-931.32353821
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1362249865
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3425747762 (a.u.)
total exchange computation time: 2.6826381683 s
-154.2451766490
Anderson extrapolation: theta=1.2307381149 (1.2307381149)
-931.32353875
-164.377061 50.192461 -204.118140
-132.777106 460.773703 -801.347104
-297.154167 510.966164 -1005.465244
1166.339306
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1362249865
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3425908293 (a.u.)
total exchange computation time: 2.6804170609 s
678.38536623
-1082.92444570
89.94844368
-389.63519399
-174.75511852
77.90607470
551.60419304
0.00000000
-931.32353914
-10.89085106 -4.30110601 6.67161829
0.00014779 -0.00016334 0.00006870
-0.01003701 -0.00034059 -0.01047971
-13.91571262 3.67949736 9.25669939
0.00015994 0.00027177 -0.00013811
0.00167069 -0.00131069 -0.00769453
-15.94839334 1.44910293 3.43697396
0.00003657 0.00029781 -0.00006720
-0.00097947 0.00017635 -0.05900376
2.63725835 -19.84863629 12.81040779
0.00019449 -0.00005768 -0.00006601
0.00709227 0.03774902 0.04290332
9.57105998 20.36557608 1.26404776
-0.00006176 0.00005896 0.00035019
0.03039171 -0.00446274 -0.01950227
-12.11388968 12.55107707 15.20343024
-0.00011164 -0.00001393 -0.00001275
0.00428101 0.02127993 -0.00492288
-6.18497024 1.41026572 -12.47436778
0.00012789 -0.00025859 -0.00016136
-0.01492821 0.01016560 0.02173901
-7.43756286 7.73778416 -6.04997086
-0.00010929 -0.00008758 -0.00033546
-0.01915854 0.00117494 -0.00295656
-7.77276001 -4.35980342 17.80723730
-0.00005085 -0.00006467 -0.00005801
0.00008997 0.00774809 0.01708274
-23.59315226 -5.19577603 -22.69692628
-0.00021423 -0.00030775 -0.00033714
-0.00504152 -0.00106961 -0.01141507
6.60018414 12.75690268 6.04076451
-0.00000539 0.00000616 -0.00017702
-0.00403646 0.01561540 -0.03954336
24.79232992 30.53953419 -3.00297009
0.00015760 0.00016179 -0.00023738
-0.00936899 0.03544060 0.00178721
7.92360204 -0.96800337 -14.53375686
0.00002569 0.00024138 0.00022039
0.00680245 -0.03110047 0.01552628
-7.38138452 -0.87708211 14.25850464
-0.00024827 0.00013585 -0.00037556
-0.03242713 -0.02846849 -0.01957149
-1.71064471 -26.18622351 11.23361050
0.00015421 0.00005312 -0.00011892
-0.01557613 -0.00602663 0.00050566
-14.01845381 -4.43379901 -6.98082468
0.00013668 0.00009330 0.00002615
-0.00381422 -0.01727438 -0.00084353
-19.99513540 -12.67284118 -17.67602506
0.00015749 -0.00014982 0.00013274
0.03172013 0.04491897 0.01468443
22.78380990 3.51045833 3.01277212
0.00017165 -0.00002526 0.00007964
0.00586323 0.03652140 0.01892726
17.64795010 -10.36470159 -14.38446438
-0.00015160 -0.00039167 -0.00012763
-0.02288830 0.00194988 0.00087986
-1.94061485 1.76464577 -7.03301280
0.00012707 -0.00015205 -0.00002946
-0.02859878 -0.01369152 0.00348651
-4.32964800 -2.99760496 -15.64523498
-0.00025315 0.00010006 -0.00005305
-0.01554666 -0.02175987 -0.01012757
13.41155727 17.32612843 -19.90576562
0.00003440 0.00008964 0.00029348
-0.02046912 0.00568908 -0.01213785
-15.97806344 16.13209923 -12.08806121
0.00056800 0.00025260 0.00021466
-0.03029804 0.00679833 0.06176753
2.04668806 14.65287894 7.58167967
0.00050043 0.00025652 0.00007332
0.01122168 -0.02171967 -0.02023867
-5.36271986 -9.71904493 2.28280556
-0.00003690 -0.00017815 0.00019795
-0.01907787 0.03798837 -0.01757620
3.06015684 -6.55750589 2.68595583
-0.00011524 -0.00027110 0.00026850
-0.01424126 0.08482881 0.00705412
10.85182223 5.00051423 4.41541354
-0.00004248 0.00026615 0.00001294
-0.02952871 0.01178621 -0.00115468
-8.53783887 -9.56342332 -2.96199336
0.00001418 0.00027175 -0.00054326
0.01600662 -0.03093605 0.02826071
3.18647593 -15.94717840 -13.12547175
0.00020515 0.00005337 0.00003684
-0.03764505 0.04223874 -0.01532203
4.77090846 -8.32898772 -5.36356416
-0.00010063 0.00033805 0.00035304
0.00415023 0.02148415 -0.04709788
18.54487690 0.99640280 24.62967471
-0.00005189 0.00011903 -0.00021810
-0.00473805 0.01914362 -0.00422757
-8.57925660 3.10481963 1.18836882
-0.00030706 0.00004896 0.00011183
0.02382821 0.01634229 -0.00713520
-7.60099530 14.21910440 -10.35208491
0.00046235 -0.00002921 0.00031659
-0.00971709 -0.01840864 0.02783285
1.69760462 11.44569624 -9.00217522
-0.00003150 0.00016781 0.00009025
0.02354783 0.02126659 0.04783519
-11.64021155 10.15942966 -13.89635034
0.00019120 0.00031133 -0.00021098
-0.02106941 -0.00569055 0.03221890
6.84926184 4.46788013 14.72890496
-0.00034893 0.00026190 -0.00004508
0.02586413 0.04242805 -0.01677596
-14.87815558 9.12075077 -8.99826068
-0.00021359 -0.00027664 0.00026477
0.00788579 0.02470111 -0.01919835
8.47716572 8.19808315 -3.10974574
-0.00009545 0.00002220 -0.00002090
0.02294803 0.02890588 0.05560676
13.79741057 -20.46427023 -25.91678157
0.00016120 -0.00007243 -0.00023131
-0.01185115 0.00563278 0.02217530
6.17660446 6.67985858 2.56507605
-0.00022675 0.00039139 -0.00013807
0.00332516 -0.02087679 -0.01647091
18.98152401 -5.79775223 -6.68957174
-0.00040287 -0.00007293 -0.00015362
0.04789860 -0.02477122 -0.00733621
-1.68272299 -0.07931726 -2.66435595
-0.00008543 -0.00022014 0.00017334
-0.00073136 -0.00417634 0.00342664
2.34787875 -1.80467835 -12.07140637
0.00024169 0.00010512 0.00018675
0.00979697 -0.03408290 -0.01213733
20.10875324 9.37135144 -5.32882704
-0.00056758 0.00015255 -0.00009017
-0.05480168 0.01062446 -0.02974264
-7.59763008 6.38597878 9.51731459
-0.00023802 -0.00016597 0.00001691
0.00303576 -0.00256360 -0.03077698
-2.53853781 -14.56833596 11.43723668
0.00013168 0.00003079 -0.00005734
-0.02844180 0.00385910 0.00820744
8.11664022 0.24088047 -4.91075172
-0.00004449 -0.00019325 0.00002400
0.01006942 -0.04146438 0.03510490
-0.13778486 -10.27304603 0.30556693
-0.00012777 -0.00028423 -0.00022230
-0.00704478 0.00987522 -0.00200460
-20.23871909 -1.19000301 4.78549549
-0.00025164 0.00035469 0.00010025
0.02562660 -0.04303070 0.02144353
-4.55666035 7.70572629 -23.64881749
0.00011485 0.00019443 -0.00020332
-0.01382777 -0.03909729 -0.03046357
2.59303321 2.21255896 -1.08477079
0.00014311 -0.00035055 0.00024604
0.04240040 0.01063625 0.00276729
15.49763864 7.35822227 4.56651405
-0.00010307 -0.00031891 -0.00018986
0.00496940 0.03460905 -0.03720733
-9.74136377 -4.60781960 8.01946060
-0.00132239 0.00041030 0.00037437
0.01005079 -0.00097502 0.00641136
-9.96444941 -4.20191541 5.05075631
0.00119412 -0.00143645 -0.00003574
0.00410079 -0.00750107 0.01319179
-12.69792003 4.74052495 8.35220543
0.00072806 -0.00029391 -0.00088841
-0.00815054 -0.01648746 0.00433680
-13.86521553 1.89246101 8.55094809
-0.00011501 0.00016470 -0.00022687
0.00703484 0.02051648 0.00852027
-15.49485861 2.16319292 4.95108216
-0.00020205 0.00047757 -0.00008269
0.01869460 0.01796723 0.04974584
-17.43128666 0.48083155 3.83883682
-0.00097622 0.00038041 -0.00042146
-0.01696424 -0.01431731 0.00632004
3.11923154 -21.33231664 11.91790655
-0.00047324 -0.00002493 0.00090040
0.00489621 -0.02168503 -0.00666256
3.85663696 -19.36931041 14.21473039
0.00107712 0.00120055 -0.00009827
-0.01882923 -0.01123547 -0.03462332
8.86165504 18.68425565 1.09044501
-0.00009626 -0.00004416 -0.00013732
-0.01903041 0.00959064 0.00378952
8.64905050 21.71434192 2.07378731
0.00012785 -0.00057658 0.00031822
-0.01836129 -0.00767821 0.00919169
-11.31647008 11.76139880 16.62450972
-0.00028370 0.00030631 0.00123242
0.01009547 0.00141176 0.00962244
-12.58319138 14.25206267 15.81567404
-0.00010705 0.00033434 0.00019396
0.00019672 -0.01115057 -0.00802219
-5.15876996 0.19381209 -13.26961516
0.00008571 0.00024638 -0.00029040
0.01081664 -0.01439363 -0.01445438
-6.64415040 0.57671332 -10.85353765
0.00047548 0.00082829 -0.00134404
-0.00049905 0.00911134 -0.00498628
-6.92367220 6.30524709 -5.05189588
-0.00014074 -0.00066933 0.00025736
0.00062186 -0.00479293 0.00235831
-9.13090344 8.08299857 -5.37572915
0.00001573 0.00024739 0.00018833
0.01489752 -0.00273641 -0.00548131
-8.03703260 -3.01839667 19.09135671
0.00076669 0.00060067 0.00041240
0.00248183 -0.02436883 -0.01521653
-8.20166553 -6.01612882 18.49719154
-0.00116576 -0.00040527 0.00055840
0.00037424 0.00793172 0.00455281
-23.56728866 -3.55252923 -23.56562980
-0.00065147 -0.00074017 0.00043670
0.00049195 -0.00551661 0.01082369
-23.01025397 -5.04927324 -20.98496898
0.00006731 0.00035376 -0.00013684
0.00051581 0.01338183 -0.00116986
7.10150874 13.23590439 4.29272037
0.00063186 -0.00000889 0.00029266
-0.01479896 0.00258627 0.01287618
8.15502981 11.99007177 6.46393704
0.00030660 -0.00002647 0.00042446
0.02445011 -0.02001850 0.02130076
24.92667394 28.92038173 -2.31207169
0.00012192 0.00011826 -0.00012862
0.00195067 -0.03403024 0.00824278
24.11394416 31.57629384 -1.61422762
-0.00017544 0.00023400 0.00038928
0.00045035 -0.00199392 -0.01326251
9.17099781 -2.04878728 -15.46689153
-0.00033488 0.00073379 -0.00135992
-0.00307382 0.01283872 0.00630114
7.90527704 -2.05037909 -13.01330011
-0.00073554 -0.00069999 -0.00161020
-0.00784537 0.01712240 -0.01178632
-7.76257988 -0.16020276 15.85119612
0.00038162 0.00075602 0.00006659
0.01595561 0.03135106 0.02676903
-8.84570718 -2.03910656 14.45685633
-0.00049106 -0.00055699 0.00036524
0.02283173 -0.00055414 -0.02100868
-2.40074849 -26.74704017 12.92440633
0.00107863 -0.00021657 -0.00011193
0.00261058 0.00474024 -0.01645135
-3.08008030 -25.91400845 10.01679853
0.00002894 0.00000940 -0.00089587
0.00816911 -0.00330000 0.00778513
-14.74178507 -2.89477109 -6.28455914
-0.00014582 0.00043673 -0.00016085
0.00699679 0.00584448 -0.00211318
-14.57803087 -4.70165989 -8.69884398
0.00058724 0.00001186 0.00003549
-0.00232950 0.00538084 -0.00496477
-19.31079636 -11.03319769 -16.93058243
-0.00036817 0.00120850 0.00042545
-0.02078646 -0.02583132 -0.00833599
-18.27768871 -13.27806348 -18.03549539
-0.00002322 -0.00020832 0.00037185
-0.01152751 -0.01560580 -0.00583538
24.14238880 3.70529696 1.81241645
-0.00020409 0.00027073 0.00034969
-0.00324962 -0.01965725 -0.01873256
22.97579462 5.16401010 3.80237175
-0.00018321 -0.00020763 0.00012202
-0.01347823 -0.00717396 0.01100929
16.27987213 -9.98716147 -13.09326447
-0.00046951 0.00054457 0.00100187
0.01947306 0.00255688 -0.02924787
17.01737675 -10.13088288 -16.15062477
0.00003095 -0.00003865 -0.00010289
0.00369394 0.00551038 0.02902456
-0.35617077 2.01785623 -7.90627749
0.00080273 -0.00077437 0.00030784
0.01562519 -0.00339595 -0.00606550
-2.28965584 -0.05801680 -6.97286716
-0.00002808 -0.00017938 0.00034441
0.00624205 0.01688131 -0.01703065
-5.39593946 -4.09672430 -16.74837781
0.00067911 -0.00105555 -0.00010554
0.01723368 0.02103760 0.01641679
-3.90542867 -1.54289346 -16.65819897
-0.00102688 0.00021088 -0.00045339
0.00055116 0.00197710 -0.01098722
12.42915143 18.84669842 -20.44295060
-0.00043459 0.00038437 0.00047890
0.01659102 0.00513042 0.00077705
11.95997124 16.20455450 -20.17738287
0.00090403 -0.00004100 -0.00012757
0.01210123 -0.01181598 0.00164155
-15.39783486 15.72496580 -13.66625371
-0.00000371 -0.00013198 -0.00064773
0.03000527 -0.01270039 -0.05886801
-17.46547829 15.01874872 -12.10432972
0.00027499 -0.00050140 0.00013425
0.00435808 0.01081325 0.00343173
2.37742910 15.07758792 5.79821144
-0.00090034 0.00012600 0.00016693
0.01432614 -0.01072350 0.00388474
0.75280315 15.80071554 7.86364117
-0.00011558 0.00037227 -0.00104389
-0.03768941 0.02489020 0.02188831
-5.87240530 -8.06864622 1.33802726
0.00031295 0.00034173 0.00073290
0.01804616 -0.04674329 0.02889843
-3.62563979 -10.08377020 1.82614083
-0.00020618 -0.00108094 0.00033238
0.00904142 0.00811719 -0.00844888
2.87987633 -4.53399117 2.93080188
0.00136361 0.00083282 0.00011207
0.00459558 -0.06683236 -0.00448093
4.50087679 -6.66052166 1.55471339
0.00035206 -0.00036199 0.00048389
0.00772259 -0.00651060 -0.00121269
9.29346166 5.79912367 3.71888724
-0.00017761 0.00062748 -0.00142212
0.01323083 -0.00286232 0.00922197
12.03442444 6.36016301 4.71414619
-0.00006582 0.00016233 -0.00006667
0.00721972 0.00636979 0.00235286
-7.26721864 -10.96549173 -2.53219403
-0.00035120 0.00043267 0.00004238
-0.02940516 0.03209754 -0.01094588
-9.58761731 -9.36775400 -1.42539147
0.00036097 -0.00059208 0.00049123
0.00890338 -0.00404429 -0.01603654
4.41794474 -16.22854967 -14.33957342
-0.00070722 0.00153571 -0.00074800
0.02726775 -0.00183011 -0.02917552
3.70162440 -17.03337352 -11.86801661
-0.00054623 -0.00091258 0.00090822
0.00387124 -0.03567987 0.04499536
5.69163101 -6.83090489 -6.12704042
-0.00035598 -0.00028725 -0.00030154
-0.01231828 -0.02374595 0.02134214
4.95373105 -8.21210745 -3.60266127
-0.00014807 -0.00027368 0.00116370
0.00548073 0.00356762 0.02667735
16.94136583 1.89878328 24.73064476
0.00028817 0.00088697 0.00012170
-0.00784222 -0.01497968 -0.00077947
19.65647279 2.46175673 24.36760645
-0.00033074 0.00029400 -0.00043993
0.00928353 -0.01119729 0.00993975
-9.81630759 4.01764194 2.33254731
-0.00013132 0.00016190 -0.00025385
0.00364429 -0.01732741 -0.00410927
-7.27041201 4.40916857 0.96206335
0.00076689 -0.00091206 -0.00002831
-0.01286404 -0.00857607 -0.00360557
-6.26189642 14.14877239 -9.03982374
-0.00003661 -0.00019702 -0.00008330
-0.01730606 0.00552720 -0.01433614
-9.17545055 13.61755877 -9.44746096
-0.00036515 -0.00055326 0.00033258
0.02881829 0.01042943 -0.01423457
0.49333469 10.85185165 -7.74710236
0.00038516 -0.00055955 0.00020642
-0.01052784 -0.00744475 -0.01246958
2.82059266 12.25666370 -7.60914738
0.00095254 -0.00055193 -0.00023961
-0.01173163 -0.00936427 -0.03638096
-10.13676734 9.12294418 -13.73471027
0.00085748 -0.00028499 0.00043407
-0.00337974 -0.00163083 0.00336065
-12.67883456 9.82142183 -12.31188384
-0.00032510 -0.00068609 0.00051165
0.02404996 0.00199319 -0.03263865
7.31761721 6.35043253 14.54752011
-0.00032161 0.00045139 -0.00095304
-0.02055612 -0.02047264 0.02203487
7.33710747 4.40860112 12.95277510
0.00035654 -0.00053155 0.00026670
-0.00180987 -0.03150736 -0.01145320
-13.65613423 10.52724522 -8.50983884
-0.00007758 -0.00030619 0.00016117
-0.02435594 -0.00957761 0.00038625
-16.29165443 9.87922137 -9.97148285
-0.00070810 -0.00013598 -0.00015636
0.01290988 -0.01289015 0.01915109
8.17935775 9.94464546 -2.48825924
-0.00040380 -0.00063912 -0.00059030
0.00912320 -0.01901938 0.00775116
7.71141508 8.47407559 -4.63549802
0.00099822 -0.00036882 -0.00026181
-0.03189996 -0.00580657 -0.05757864
12.05750761 -20.04896382 -26.31833685
-0.00052613 0.00064034 0.00045671
0.00761163 -0.00195008 -0.00428568
13.77078132 -20.26874871 -24.02892276
0.00044216 -0.00094969 0.00014036
0.00206866 0.00133209 -0.01343708
5.92989582 4.87244412 2.16495278
0.00042891 -0.00085921 -0.00131223
-0.00223162 0.00197435 0.01825570
6.46393699 7.22012862 0.85146514
0.00045521 -0.00024854 0.00014482
0.00454333 0.01662068 -0.00621526
20.46794932 -6.42897463 -5.73349118
0.00002387 -0.00000843 0.00020787
-0.02462275 0.00788719 -0.01092446
17.74525784 -5.25679462 -5.53216746
-0.00012705 0.00031519 -0.00050711
-0.02676019 0.01492840 0.02295383
-2.35293906 0.42238436 -1.04445434
0.00131990 -0.00011374 -0.00046016
-0.01398687 0.00124811 0.00192114
-2.42178882 0.97351549 -4.05883909
0.00090103 0.00005219 -0.00000978
0.01688417 -0.00239090 0.01828700
3.61316731 -3.18705837 -12.20771059
-0.00042068 0.00102571 -0.00007787
-0.00838987 0.01720631 0.00157277
0.74575739 -2.77238369 -11.56701382
-0.00060297 -0.00116397 0.00036454
0.00916359 0.01516486 0.00119947
19.11927667 8.39079821 -6.60067812
-0.00077689 -0.00044425 -0.00068883
0.02652549 0.01164316 0.01339244
21.64960882 8.59807980 -4.93950978
-0.00034616 -0.00052928 -0.00055607
0.03565103 -0.02459213 0.00773870
-7.25847783 4.61067461 9.05099640
0.00066832 -0.00007154 0.00071897
-0.00030873 0.00094777 0.00471924
-7.84318130 6.30621505 11.26480597
-0.00108419 0.00018408 0.00101186
-0.00752313 -0.00077055 0.03432619
-3.18415165 -16.22030765 11.05669676
0.00034625 -0.00007373 -0.00116330
0.01334088 -0.01694927 -0.00271606
-4.21489872 -13.79514271 11.49306751
-0.00026684 -0.00000965 -0.00065860
0.01128666 0.00796282 -0.00156816
8.59944988 0.58013823 -3.16450157
0.00061590 0.00017127 0.00077589
-0.00582095 -0.00274232 -0.01361230
7.85866904 1.74767221 -5.79539485
0.00006501 -0.00100125 -0.00036953
-0.00809926 0.04352935 -0.01649899
0.89348720 -10.80533273 1.70706565
-0.00119452 -0.00069021 0.00059973
0.00351402 -0.00603154 0.01083428
0.04806546 -8.42566403 0.26684521
-0.00021849 -0.00048096 -0.00066770
0.00049053 -0.01295853 -0.00830142
-20.23666277 -1.48455169 6.66299450
-0.00021615 -0.00026362 -0.00040176
0.00268702 0.00720319 -0.01367311
-21.27929397 0.20384706 4.48323381
0.00005298 -0.00036857 0.00015190
-0.02279663 0.03203161 -0.00699510
-3.81278158 8.30329362 -25.30516453
-0.00002092 -0.00004743 0.00105811
0.00202383 0.01264403 0.03407520
-4.56687069 8.79557616 -22.26434115
0.00003239 -0.00060903 0.00006112
0.00974619 0.02649892 0.01095927
4.22220450 1.35270165 -0.88890579
0.00144767 0.00090870 0.00001161
-0.02131008 0.00186048 -0.00764639
1.27562770 1.06267532 -1.59264801
-0.00028930 0.00007043 0.00062688
-0.00767289 -0.01035418 -0.01176903
15.69983102 7.70091865 6.30246018
-0.00047725 0.00032072 0.00033727
0.00457697 -0.00297608 0.03231109
15.93115968 9.06459253 3.86337223
0.00030296 0.00068412 -0.00074507
-0.01100473 -0.02758454 0.00169093
-0.29121980 -11.82105336 -13.18504987
0.00017801 -0.00000781 0.00022195
0.01002813 0.00056004 -0.00105777
-13.94662566 14.43993062 22.24348933
-0.00001886 -0.00013371 0.00015953
0.00177389 -0.00073592 0.00262304
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03081065
0.29272850
390.04604499
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3267040712 (a.u.)
total exchange computation time: 2.6672840118 s
-154.1671332228
-931.31868455
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3265690143 (a.u.)
total exchange computation time: 2.6672010422 s
-154.1699372292
Anderson extrapolation: theta=1.3716236418 (1.3716236418)
-931.31895980
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3263587421 (a.u.)
total exchange computation time: 2.6680078506 s
-154.1740802424
Anderson extrapolation: theta=0.0629566555 (0.0629566555)
-931.31913273
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3263253644 (a.u.)
total exchange computation time: 2.6685981750 s
-154.1746279197
Anderson extrapolation: theta=2.2704904609 (2.0000000000)
-931.31914214
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3262614615 (a.u.)
total exchange computation time: 2.6709060669 s
-154.1756986311
Anderson extrapolation: theta=0.3988048417 (0.3988048417)
-931.31915469
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3262517429 (a.u.)
total exchange computation time: 2.6689071655 s
-154.1759712127
Anderson extrapolation: theta=1.1561800849 (1.1561800849)
-931.31915834
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3262661724 (a.u.)
total exchange computation time: 2.6672430038 s
-154.1760332318
Anderson extrapolation: theta=0.4971825291 (0.4971825291)
-931.31916135
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3262970855 (a.u.)
total exchange computation time: 2.6680631638 s
-154.1758308237
Anderson extrapolation: theta=0.8084915629 (0.8084915629)
-931.31916242
-164.399811 50.146054 -204.073359
-132.758389 460.773202 -801.382177
-297.158200 510.919255 -1005.455536
1166.311415
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3263380517 (a.u.)
total exchange computation time: 2.6668920517 s
678.15240765
-1082.41480980
89.96397865
-389.98022686
-174.71417451
77.62438584
551.60419304
0.00000000
-931.31916292
-10.88867295 -4.30355743 6.67260843
0.00014192 -0.00016322 0.00006128
-0.01279644 0.00081237 -0.01837921
-13.91330703 3.68356884 9.25459809
0.00016137 0.00027129 -0.00014254
0.00388918 -0.00056839 -0.00953591
-15.94784856 1.45357069 3.43573838
0.00003502 0.00029724 -0.00009713
-0.00506316 -0.00236536 -0.05740192
2.64020308 -19.84935585 12.80958318
0.00019830 -0.00003668 -0.00004263
0.00771995 0.04389398 0.04800402
9.57025079 20.36644333 1.26922533
-0.00004568 0.00005557 0.00033964
0.03216297 -0.00872185 -0.02152531
-12.11554770 12.55095026 15.20321999
-0.00010885 -0.00000312 -0.00001376
0.00655128 0.02073201 0.00098835
-6.18310952 1.40642603 -12.47670430
0.00012053 -0.00025174 -0.00015219
-0.01366521 0.01648363 0.01390951
-7.43927612 7.73647500 -6.05501413
-0.00011890 -0.00008818 -0.00033604
-0.01823004 -0.00352930 0.00068995
-7.77352246 -4.36074355 17.80643308
-0.00005127 -0.00006116 -0.00004797
-0.00169324 0.00590450 0.02193283
-23.59638514 -5.20039635 -22.70202748
-0.00021658 -0.00030923 -0.00034160
-0.00410443 -0.00469908 -0.00591589
6.60008778 12.75705526 6.03795667
-0.00000655 0.00001362 -0.00019659
-0.00048919 0.01341683 -0.03656674
24.79465779 30.54209777 -3.00652389
0.00015242 0.00018021 -0.00023555
-0.01078725 0.03616854 0.00530837
7.92401363 -0.96450270 -14.53039114
0.00002945 0.00022603 0.00022647
0.00782582 -0.02859063 0.00810556
-7.38523370 -0.87515414 14.25279570
-0.00026586 0.00012108 -0.00038442
-0.03597017 -0.02899166 -0.01486960
-1.70839169 -26.18544993 11.23182861
0.00014598 0.00005029 -0.00011977
-0.01642326 -0.00499899 -0.00380813
-14.01641829 -4.43246608 -6.98043566
0.00013456 0.00008496 0.00002617
-0.00442366 -0.01515553 0.00092790
-19.99265068 -12.67491520 -17.67397737
0.00017357 -0.00012545 0.00014087
0.03079689 0.04984872 0.01696041
22.78640724 3.51022029 3.01403966
0.00017400 -0.00000683 0.00008971
0.00329952 0.03515323 0.02025933
17.64558774 -10.37056915 -14.38637549
-0.00016419 -0.00039034 -0.00012600
-0.02603861 0.00321274 0.00547584
-1.93881911 1.76231226 -7.03344123
0.00011299 -0.00015910 -0.00002792
-0.02615470 -0.01374476 0.00248778
-4.33350523 -2.99618801 -15.64606974
-0.00026107 0.00008890 -0.00005853
-0.01524180 -0.02164113 -0.01118919
13.41199434 17.32749493 -19.90141020
0.00002438 0.00009358 0.00028721
-0.01851106 0.00962440 -0.01225443
-15.96966035 16.13591447 -12.08460305
0.00055237 0.00025481 0.00024435
-0.03049202 0.00179134 0.05366763
2.05423783 14.65664300 7.58270137
0.00050499 0.00024610 0.00006355
0.00650135 -0.01880569 -0.01774770
-5.36334696 -9.72157062 2.28570705
-0.00004673 -0.00015866 0.00018907
-0.01914520 0.03779412 -0.01694949
3.05837338 -6.56124516 2.69001060
-0.00012196 -0.00022663 0.00027178
-0.01191941 0.08808533 0.00568326
10.85107112 5.00455195 4.41560317
-0.00005875 0.00027255 0.00001176
-0.03373683 0.01308898 -0.00341238
-8.53756444 -9.55946641 -2.97003329
0.00002162 0.00025594 -0.00052762
0.01294604 -0.03052080 0.03255753
3.18940801 -15.94621492 -13.12497828
0.00018580 0.00007373 0.00003156
-0.03762829 0.03692587 -0.00519517
4.76941495 -8.32383417 -5.35845031
-0.00009875 0.00034851 0.00033070
0.00319024 0.01919320 -0.03975143
18.54408034 0.99826204 24.62638688
-0.00005465 0.00012926 -0.00021998
-0.00601836 0.02064289 -0.00306294
-8.58377054 3.10561713 1.19001875
-0.00029436 0.00005704 0.00010774
0.02553973 0.01504683 -0.00875159
-7.59409753 14.21859527 -10.34722870
0.00045564 -0.00003907 0.00033050
-0.01639459 -0.01993185 0.02623889
1.69722301 11.44829539 -9.00063695
-0.00001926 0.00017856 0.00011474
0.02404333 0.02054073 0.04740925
-11.63742484 10.16407766 -13.89939078
0.00018112 0.00030709 -0.00019308
-0.01814086 -0.01080396 0.03738765
6.84412768 4.47197232 14.72816408
-0.00033559 0.00028370 -0.00005365
0.02601592 0.04232251 -0.01655906
-14.88132903 9.11669645 -8.99436314
-0.00021023 -0.00026354 0.00025437
0.00517801 0.02624544 -0.02123741
8.47582254 8.19852764 -3.10984469
-0.00008331 0.00003587 0.00000774
0.02425560 0.02424017 0.05573620
13.79978287 -20.46533498 -25.92016563
0.00015397 -0.00006920 -0.00021965
-0.01628692 0.00692934 0.02313426
6.17321600 6.68564891 2.56294150
-0.00022525 0.00037823 -0.00014655
0.00250162 -0.03031138 -0.01652674
18.97566568 -5.79894169 -6.69190440
-0.00037718 -0.00008608 -0.00015747
0.05201423 -0.02636170 -0.00760703
-1.68400722 -0.08263548 -2.66174271
-0.00008489 -0.00022293 0.00017361
0.00280125 -0.00666650 -0.00236386
2.35154185 -1.80323308 -12.06865190
0.00024425 0.00008811 0.00018100
0.00017205 -0.03203824 -0.01023951
20.10002809 9.37368067 -5.33029439
-0.00059514 0.00015683 -0.00010609
-0.05234064 0.00600107 -0.03214783
-7.60118872 6.38347935 9.51744948
-0.00023681 -0.00016716 0.00000387
0.00169834 -0.00208151 -0.01990199
-2.53667236 -14.56785915 11.43640820
0.00011638 0.00003249 -0.00005330
-0.03103244 0.00272501 0.00751853
8.11601164 0.23782185 -4.91025637
-0.00003877 -0.00021514 0.00004411
0.01217439 -0.04368206 0.04311158
-0.13972863 -10.27727138 0.30222467
-0.00013135 -0.00027978 -0.00022312
-0.00687563 0.00743228 -0.00119187
-20.24239489 -1.18484866 4.78708198
-0.00023741 0.00033129 0.00011088
0.02971527 -0.04797358 0.01987894
-4.55499096 7.70849188 -23.65198487
0.00010702 0.00017342 -0.00021786
-0.01660424 -0.04258600 -0.02607450
2.59534337 2.20734173 -1.08106958
0.00016569 -0.00034492 0.00024765
0.04540992 0.01125796 0.00352335
15.49611174 7.35357214 4.56352257
-0.00009991 -0.00029941 -0.00020827
0.00731253 0.04122416 -0.03436293
-9.76089166 -4.60169495 8.02527261
-0.00127264 0.00040410 0.00041113
0.01430154 -0.00206007 0.01158380
-9.94641201 -4.22369205 5.05062448
0.00120730 -0.00146681 0.00002350
0.00235331 -0.00735852 0.01580723
-12.68724891 4.73561113 8.33901211
0.00069085 -0.00036332 -0.00086771
-0.01006494 -0.01748985 0.00580066
-13.86672509 1.89556021 8.54780615
-0.00008675 0.00024888 -0.00019075
0.00680029 0.02069088 0.00916224
-15.49731649 2.17090702 4.95136624
-0.00012721 0.00054988 0.00011861
0.01793806 0.01743112 0.04878768
-17.44644981 0.48609892 3.83270856
-0.00103588 0.00032843 -0.00039723
-0.01223844 -0.01112584 0.00553959
3.11228291 -21.33335509 11.93120845
-0.00044957 -0.00012278 0.00086770
0.00669164 -0.02621454 -0.00934411
3.87221680 -19.35164649 14.21219543
0.00099550 0.00115192 -0.00024465
-0.02112380 -0.01256670 -0.03703162
8.85962806 18.68388713 1.08850128
-0.00017285 -0.00000326 -0.00012163
-0.01846432 0.01043212 0.00389020
8.65040561 21.70545786 2.07884227
0.00004861 -0.00060124 0.00035951
-0.02042867 -0.00438861 0.01102094
-11.32041615 11.76603666 16.64329093
-0.00024749 0.00031663 0.00126138
0.00762895 0.00364057 0.00455350
-12.58479105 14.25673612 15.81833761
-0.00010578 0.00028542 0.00015883
0.00042371 -0.01279825 -0.00917604
-5.15715278 0.19706673 -13.27441410
0.00013240 0.00018452 -0.00035110
0.01203700 -0.01588786 -0.01525676
-6.63703346 0.58941690 -10.87385112
0.00046852 0.00085582 -0.00134709
-0.00290903 0.00436147 0.00349606
-6.92576422 6.29506021 -5.04796324
-0.00014141 -0.00067920 0.00026005
-0.00095066 -0.00003803 -0.00103864
-9.13021095 8.08662550 -5.37307221
0.00007766 0.00023603 0.00016514
0.01541529 -0.00282133 -0.00586854
-8.02545624 -3.01013329 19.09707645
0.00077721 0.00049531 0.00034455
0.00266697 -0.02720529 -0.01799820
-8.21914048 -6.02196487 18.50570700
-0.00116064 -0.00036291 0.00057251
0.00213463 0.01280582 0.00235438
-23.57704562 -3.56380085 -23.55874763
-0.00064940 -0.00075385 0.00047462
0.00051976 -0.00117831 0.00773652
-23.00922849 -5.04355675 -20.98705744
0.00006786 0.00040638 -0.00014649
-0.00024909 0.01237432 -0.00355364
7.11053313 13.23585029 4.29750484
0.00057193 0.00000257 0.00034128
-0.01453484 0.00302506 0.01092463
8.16037799 11.98906126 6.47095664
0.00039874 -0.00010457 0.00050957
0.02065701 -0.01821190 0.02035978
24.92856247 28.92111285 -2.31374842
0.00012980 -0.00001811 -0.00009615
0.00190775 -0.03272216 0.00765139
24.11132640 31.57974277 -1.60879490
-0.00017082 0.00022187 0.00032892
0.00181029 -0.00394593 -0.01628202
9.16588039 -2.03738702 -15.48709719
-0.00034957 0.00078793 -0.00133065
-0.00411706 0.01366301 0.00802377
7.89400354 -2.06035422 -13.03781422
-0.00076714 -0.00063754 -0.00164699
-0.00762209 0.01344623 -0.00622680
-7.75636670 -0.14790178 15.85301518
0.00044735 0.00087830 0.00016605
0.01622247 0.02850515 0.02191886
-8.85237338 -2.04747845 14.46169114
-0.00039142 -0.00055266 0.00027996
0.02593880 0.00267744 -0.02073714
-2.38448901 -26.75014347 12.92222328
0.00108590 -0.00019788 -0.00017682
0.00094705 0.00440793 -0.01531488
-3.07939593 -25.91396858 10.00359898
0.00006737 -0.00000537 -0.00085779
0.01064443 -0.00392739 0.01085876
-14.74375792 -2.88804110 -6.28703664
-0.00011513 0.00045615 -0.00017112
0.00802333 0.00366143 -0.00291644
-14.56929359 -4.70131704 -8.69846378
0.00057707 0.00003361 0.00001323
-0.00265000 0.00526300 -0.00593114
-19.31695589 -11.01586172 -16.92445618
-0.00045428 0.00109222 0.00038643
-0.02136249 -0.03108806 -0.01076337
-18.27839026 -13.28166652 -18.03009641
-0.00006759 -0.00027078 0.00034793
-0.01019202 -0.01496666 -0.00587338
24.13922784 3.70875552 1.81708774
-0.00021240 0.00019120 0.00026913
-0.00081795 -0.01927398 -0.02070102
22.97263344 5.16067584 3.80453943
-0.00023787 -0.00023442 0.00016834
-0.01327874 -0.00594271 0.01166247
16.27342614 -9.97891462 -13.07913270
-0.00038269 0.00055277 0.00087431
0.02302726 0.00145764 -0.03319331
17.01795419 -10.13129378 -16.15127867
0.00004483 -0.00001604 0.00001504
0.00310071 0.00555903 0.02870077
-0.34365100 2.00613655 -7.90184573
0.00086206 -0.00078823 0.00028549
0.01341535 -0.00338817 -0.00487498
-2.28988584 -0.06019018 -6.96822290
-0.00000306 -0.00011035 0.00027469
0.00600782 0.01691080 -0.01709755
-5.38522464 -4.11191283 -16.74945782
0.00074961 -0.00096809 -0.00003739
0.01727601 0.02177221 0.01694369
-3.92081492 -1.53966972 -16.66533654
-0.00102496 0.00021721 -0.00049700
0.00038754 0.00112364 -0.01036112
12.42314098 18.85262120 -20.43574335
-0.00036512 0.00040150 0.00048358
0.01741416 0.00325390 0.00151584
11.97390255 16.20357745 -20.17924618
0.00094724 -0.00009335 -0.00012210
0.00904651 -0.01380819 0.00103577
-15.39697108 15.72259699 -13.67777360
0.00011278 -0.00017984 -0.00087242
0.02701909 -0.01072894 -0.05111727
-17.46121991 15.01155902 -12.10221075
0.00029963 -0.00045110 0.00014902
0.00770414 0.01380839 0.00379570
2.36436299 15.07914937 5.80083446
-0.00083786 0.00008199 0.00017683
0.01625806 -0.01082220 0.00096085
0.74991458 15.80706233 7.84865352
-0.00026373 0.00046781 -0.00095357
-0.03483080 0.02187509 0.02232696
-5.86715808 -8.06495270 1.34990629
0.00038704 0.00015046 0.00084981
0.01822205 -0.04688337 0.02832983
-3.62845550 -10.09973555 1.83086767
-0.00016945 -0.00104647 0.00029720
0.00894264 0.00875799 -0.00877468
2.90047127 -4.52354680 2.93234567
0.00137991 0.00055433 0.00009403
0.00338531 -0.06949027 -0.00435263
4.50639439 -6.66615094 1.56193457
0.00038081 -0.00038959 0.00048093
0.00634657 -0.00700117 -0.00023762
9.29120299 5.80844811 3.69783795
-0.00011682 0.00061209 -0.00137971
0.01652611 -0.00467168 0.01154140
12.03365833 6.36279314 4.71321819
-0.00003546 0.00018936 -0.00005701
0.00764492 0.00686222 0.00237698
-7.27338764 -10.95801811 -2.53189379
-0.00046733 0.00056122 -0.00000407
-0.02744347 0.03082991 -0.01179141
-9.58192996 -9.37675907 -1.41851444
0.00039937 -0.00060723 0.00041917
0.00989599 -0.00337462 -0.01923749
4.40817203 -16.20557003 -14.35168738
-0.00059204 0.00152563 -0.00086717
0.02911394 -0.00310721 -0.02916081
3.69354950 -17.04815556 -11.85301451
-0.00053486 -0.00104484 0.00107130
0.00169684 -0.02906278 0.03483337
5.68591379 -6.83594124 -6.13090958
-0.00040383 -0.00038012 -0.00021358
-0.01110344 -0.02171848 0.02171578
4.95167789 -8.21610336 -3.58438830
-0.00012611 -0.00025869 0.00125658
0.00527205 0.00377293 0.01878702
16.94544811 1.91162874 24.73244638
0.00025670 0.00082353 0.00011918
-0.00756548 -0.01607219 -0.00045311
19.65179613 2.46582356 24.36131206
-0.00029154 0.00024740 -0.00039924
0.00990581 -0.01161145 0.00997845
-9.81816578 4.01953940 2.32861368
-0.00011726 0.00009350 -0.00026842
0.00323817 -0.01615210 -0.00302503
-7.25930285 4.39522493 0.96152817
0.00071182 -0.00094678 -0.00004220
-0.01409350 -0.00841901 -0.00319425
-6.26297584 14.14598641 -9.04151250
-0.00010093 -0.00017473 -0.00013505
-0.01417862 0.00538676 -0.01099919
-9.18004474 13.60957951 -9.44290839
-0.00024006 -0.00050775 0.00027090
0.03241365 0.01184494 -0.01595854
0.49878954 10.84323031 -7.74438818
0.00034297 -0.00058882 0.00015559
-0.01012880 -0.00688525 -0.01241033
2.83452122 12.24809786 -7.61385632
0.00090270 -0.00058956 -0.00038703
-0.01266441 -0.00905583 -0.03578101
-10.12400877 9.11861934 -13.72809628
0.00083266 -0.00028401 0.00044568
-0.00876673 0.00211216 0.00232553
-12.68297405 9.81119154 -12.30520921
-0.00022219 -0.00067524 0.00037010
0.02632527 0.00332085 -0.03665358
7.31216320 6.35657603 14.53389966
-0.00040647 0.00036739 -0.00086291
-0.02098497 -0.02064521 0.02208812
7.34240009 4.39966240 12.95642463
0.00034956 -0.00066005 0.00021899
-0.00160480 -0.03139640 -0.01190258
-13.65804434 10.52235892 -8.50740942
-0.00017711 -0.00034475 0.00016285
-0.02436096 -0.00930019 0.00043272
-16.30188038 9.87678671 -9.97324136
-0.00064947 -0.00019161 -0.00007420
0.01579021 -0.01434447 0.02106318
8.17358028 9.93447589 -2.49687621
-0.00036840 -0.00070718 -0.00055457
0.00820641 -0.01429790 0.00973898
7.72541081 8.46836543 -4.64118955
0.00086721 -0.00039283 -0.00050111
-0.03222852 -0.00594839 -0.05956106
12.04984896 -20.03941842 -26.31161749
-0.00048558 0.00062999 0.00044092
0.01223760 -0.00311773 -0.00344241
13.77747714 -20.28295329 -24.02722913
0.00045042 -0.00094389 0.00008237
0.00197253 0.00150907 -0.01495121
5.93626104 4.85961651 2.14582880
0.00042119 -0.00083589 -0.00123196
-0.00154350 0.00943781 0.02103734
6.47090443 7.21690987 0.85344701
0.00047433 -0.00017708 0.00011423
0.00481182 0.01835739 -0.00875705
20.46755291 -6.42885935 -5.73070792
-0.00008151 0.00002550 0.00016056
-0.02696141 0.00872020 -0.01223149
17.74253214 -5.25160939 -5.53907074
-0.00023927 0.00037742 -0.00041057
-0.02817664 0.01553783 0.02430189
-2.33356917 0.42071656 -1.05129791
0.00125705 -0.00010426 -0.00044050
-0.01677736 0.00338891 0.00770215
-2.40775605 0.97422515 -4.05842544
0.00096849 0.00004387 0.00006385
0.01613785 -0.00168566 0.01775585
3.60659995 -3.17114548 -12.20883045
-0.00044451 0.00108533 -0.00007226
-0.00327437 0.01197716 0.00117325
0.73699368 -2.78937849 -11.56150891
-0.00055761 -0.00109589 0.00036670
0.01303940 0.01815765 -0.00014519
19.10843613 8.38449125 -6.61060015
-0.00066482 -0.00039134 -0.00062749
0.02833415 0.01425840 0.01663329
21.64550882 8.58938704 -4.94761365
-0.00020854 -0.00062509 -0.00052616
0.03171669 -0.02230616 0.00690005
-7.24846247 4.60963062 9.06192556
0.00066676 -0.00006937 0.00073762
-0.00045617 0.00011092 0.00441059
-7.85967471 6.30895262 11.28103572
-0.00111185 0.00018178 0.00113044
-0.00601456 -0.00035606 0.02372077
-3.17854905 -16.22193295 11.03916403
0.00040199 -0.00013847 -0.00117306
0.01394409 -0.01474230 -0.00206340
-4.21855546 -13.79504338 11.48314047
-0.00021694 0.00002054 -0.00066487
0.01314033 0.00681414 -0.00149971
8.60850997 0.58262318 -3.15328040
0.00058833 0.00015812 0.00070719
-0.00767267 -0.00369318 -0.02001656
7.85939595 1.73398733 -5.80144342
0.00003119 -0.00081675 -0.00043979
-0.00845355 0.04678560 -0.01789431
0.87567713 -10.81587066 1.71639365
-0.00118084 -0.00071297 0.00064165
0.00318314 -0.00511158 0.00968376
0.04480316 -8.43327553 0.25657534
-0.00021565 -0.00053103 -0.00070047
0.00089845 -0.01155261 -0.00774035
-20.23982276 -1.48828528 6.65654915
-0.00020520 -0.00023404 -0.00045249
0.00267484 0.00727932 -0.01116309
-21.27919779 0.19930006 4.48529790
-0.00004816 -0.00022768 0.00012150
-0.02671354 0.03693645 -0.00788180
-3.81303337 8.30296967 -25.28824876
-0.00000778 0.00000842 0.00118481
0.00441007 0.01469162 0.02794477
-4.56608625 8.78725278 -22.26308860
0.00007231 -0.00049862 0.00010916
0.00979941 0.02754760 0.01256050
4.24326657 1.36638922 -0.88896590
0.00135210 0.00091688 -0.00002102
-0.02547222 0.00214030 -0.00832829
1.27105313 1.06341454 -1.58360540
-0.00031800 0.00002587 0.00057834
-0.00637851 -0.01145961 -0.01199574
15.69281256 7.70563832 6.30850938
-0.00045982 0.00030709 0.00045751
0.00395174 -0.00370051 0.02654787
15.93536682 9.07400908 3.85224800
0.00025471 0.00055982 -0.00073229
-0.01261073 -0.03326134 0.00456442
-0.28852277 -11.82116899 -13.18172350
0.00018159 -0.00000761 0.00022157
0.01000229 0.00052863 -0.00104582
-13.94690549 14.43792365 22.24588682
-0.00001844 -0.00013387 0.00016014
0.00183676 -0.00059854 0.00261121
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03015922
0.28900370
385.08294318
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3120700816 (a.u.)
total exchange computation time: 2.6713159084 s
-154.1042845048
-931.31639607
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3120234782 (a.u.)
total exchange computation time: 2.6670739651 s
-154.1059642227
Anderson extrapolation: theta=1.3667963887 (1.3667963887)
-931.31666665
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.3118808115 (a.u.)
total exchange computation time: 2.6668438911 s
-154.1087355959
Anderson extrapolation: theta=0.0615488701 (0.0615488701)
-931.31683575
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3118026126 (a.u.)
total exchange computation time: 2.6690320969 s
-154.1093649204
Anderson extrapolation: theta=2.2642090127 (2.0000000000)
-931.31684479
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3116145025 (a.u.)
total exchange computation time: 2.6665129662 s
-154.1107354514
Anderson extrapolation: theta=0.3910110653 (0.3910110653)
-931.31685688
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.3115309083 (a.u.)
total exchange computation time: 2.6668140888 s
-154.1112276915
Anderson extrapolation: theta=1.1482688533 (1.1482688533)
-931.31686042
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.3114464055 (a.u.)
total exchange computation time: 2.6695928574 s
-154.1116121535
Anderson extrapolation: theta=0.4763574282 (0.4763574282)
-931.31686345
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.3114221668 (a.u.)
total exchange computation time: 2.6674799919 s
-154.1116087487
Anderson extrapolation: theta=0.7939939504 (0.7939939504)
-931.31686461
-164.422366 50.092436 -204.022221
-132.737575 460.769544 -801.417703
-297.159940 510.861979 -1005.439924
1166.273309
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.3114168197 (a.u.)
total exchange computation time: 2.7039890289 s
677.93158921
-1081.93276711
89.97834851
-390.30737865
-174.67524044
77.35795020
551.60419304
0.00000000
-931.31686529
-10.88659357 -4.30600258 6.67345678
0.00013474 -0.00016257 0.00004998
-0.01509782 0.00171807 -0.02555654
-13.91087143 3.68763594 9.25242321
0.00016386 0.00027119 -0.00014782
0.00576766 0.00019860 -0.01099206
-15.94734285 1.45802021 3.43405996
0.00003147 0.00029562 -0.00012563
-0.00873138 -0.00395320 -0.05342258
2.64320736 -19.84973678 12.80912891
0.00020236 -0.00001285 -0.00001703
0.00805752 0.04877244 0.05154253
9.56968972 20.36724329 1.27423683
-0.00002878 0.00005009 0.00032811
0.03355253 -0.01260294 -0.02330077
-12.11715519 12.55098340 15.20301736
-0.00010489 0.00000729 -0.00001175
0.00884585 0.01975475 0.00682281
-6.18135422 1.40271351 -12.47893352
0.00011405 -0.00024171 -0.00014740
-0.01155116 0.02250648 0.00470288
-7.44113001 7.73513861 -6.06005207
-0.00012794 -0.00009118 -0.00033482
-0.01690018 -0.00812756 0.00406576
-7.77429798 -4.36163813 17.80579807
-0.00005254 -0.00005866 -0.00003564
-0.00325670 0.00379630 0.02601689
-23.59964969 -5.20505292 -22.70717433
-0.00021844 -0.00031264 -0.00034320
-0.00312242 -0.00854453 -0.00030412
6.59998765 12.75731135 6.03486673
-0.00000572 0.00001981 -0.00021440
0.00372081 0.01066343 -0.03269196
24.79690245 30.54494039 -3.01003674
0.00014659 0.00019855 -0.00023191
-0.01186743 0.03516368 0.00886710
7.92448561 -0.96122259 -14.52696288
0.00003372 0.00021217 0.00022865
0.00876381 -0.02529082 0.00037799
-7.38936038 -0.87344983 14.24697203
-0.00028509 0.00010628 -0.00039067
-0.03881177 -0.02853718 -0.00945207
-1.70626538 -26.18471491 11.23001734
0.00013748 0.00004800 -0.00012280
-0.01663052 -0.00390191 -0.00796106
-14.01441690 -4.43125007 -6.98003948
0.00013213 0.00007773 0.00002706
-0.00505719 -0.01298897 0.00250576
-19.98992837 -12.67660465 -17.67179884
0.00018899 -0.00009880 0.00015006
0.02918232 0.05378860 0.01877512
22.78903003 3.51025344 3.01546349
0.00017508 0.00001081 0.00010039
0.00088932 0.03343228 0.02127798
17.64302450 -10.37641192 -14.38824436
-0.00017813 -0.00038842 -0.00012203
-0.02818536 0.00426309 0.00994657
-1.93722515 1.75987272 -7.03385047
0.00010035 -0.00016604 -0.00002695
-0.02298737 -0.01322648 0.00128190
-4.33748005 -2.99493802 -15.64699082
-0.00026869 0.00007799 -0.00006449
-0.01440898 -0.02077333 -0.01198671
13.41228860 17.32893568 -19.89714932
0.00001544 0.00009949 0.00028092
-0.01623121 0.01338764 -0.01220408
-15.96149249 16.13974353 -12.08073086
0.00053694 0.00025441 0.00026929
-0.02949122 -0.00336211 0.04334781
2.06183776 14.66026198 7.58358614
0.00050679 0.00023745 0.00005516
0.00050554 -0.01483679 -0.01487559
-5.36412176 -9.72380475 2.28847777
-0.00005640 -0.00013957 0.00018061
-0.01844795 0.03642724 -0.01595280
3.05649796 -6.56430488 2.69410920
-0.00012741 -0.00018082 0.00027429
-0.00925233 0.09006940 0.00407131
10.85005974 5.00869066 4.41576648
-0.00007696 0.00027961 0.00000950
-0.03706568 0.01437086 -0.00539415
-8.53719013 -9.55574497 -2.97782205
0.00002741 0.00024054 -0.00050998
0.00955819 -0.02938964 0.03605051
3.19204980 -15.94496658 -13.12452489
0.00016686 0.00009104 0.00003137
-0.03598941 0.03039046 0.00444413
4.76794605 -8.31853255 -5.35364312
-0.00009744 0.00035761 0.00031243
0.00188810 0.01620818 -0.03129617
18.54323736 1.00028052 24.62307541
-0.00005798 0.00014009 -0.00022139
-0.00691726 0.02146695 -0.00242743
-8.58808745 3.10653070 1.19160117
-0.00028086 0.00006433 0.00010280
0.02698148 0.01330150 -0.01046238
-7.58732624 14.21793236 -10.34217006
0.00044558 -0.00004960 0.00034332
-0.02270454 -0.02104042 0.02362604
1.69702689 11.45105299 -8.99873292
-0.00000689 0.00018884 0.00013884
0.02403605 0.01945138 0.04630833
-11.63477807 10.16864230 -13.90214278
0.00017261 0.00030032 -0.00017279
-0.01491984 -0.01550104 0.04153459
6.83919422 4.47639101 14.72729546
-0.00032222 0.00030524 -0.00006217
0.02596442 0.04145784 -0.01658476
-14.88446255 9.11284461 -8.99062945
-0.00020819 -0.00024983 0.00024303
0.00275921 0.02705532 -0.02287433
8.47466649 8.19915913 -3.10951364
-0.00007084 0.00004705 0.00003559
0.02423847 0.01923559 0.05258968
13.80202953 -20.46634627 -25.92337121
0.00014458 -0.00006534 -0.00020758
-0.02019298 0.00810489 0.02380675
6.16984684 6.69120540 2.56067944
-0.00022414 0.00036054 -0.00015511
0.00183906 -0.03845045 -0.01675948
18.97020863 -5.80033453 -6.69429575
-0.00034991 -0.00009980 -0.00016127
0.05402140 -0.02702291 -0.00718052
-1.68526983 -0.08600514 -2.65914770
-0.00008247 -0.00022710 0.00017086
0.00663975 -0.00956208 -0.00832195
2.35520628 -1.80203498 -12.06597643
0.00024188 0.00007246 0.00017622
-0.00940410 -0.02881044 -0.00832746
20.09089915 9.37605620 -5.33200975
-0.00062086 0.00015866 -0.00012298
-0.04770162 0.00112572 -0.03353337
-7.60473427 6.38096386 9.51743083
-0.00023633 -0.00016809 -0.00000347
0.00014455 -0.00151413 -0.00865922
-2.53504631 -14.56736132 11.43563773
0.00009986 0.00003349 -0.00004965
-0.03322538 0.00117610 0.00665359
8.11547699 0.23442623 -4.90942844
-0.00003212 -0.00023769 0.00006779
0.01370177 -0.04399584 0.04896632
-0.14172544 -10.28143939 0.29887321
-0.00013481 -0.00027673 -0.00022343
-0.00655137 0.00444100 0.00001217
-20.24584144 -1.18006442 4.78882183
-0.00022139 0.00030580 0.00012050
0.03259722 -0.05114170 0.01752355
-4.55344967 7.71092893 -23.65535340
0.00009768 0.00015080 -0.00022965
-0.01971741 -0.04539750 -0.01975392
2.59800385 2.20221135 -1.07734120
0.00018950 -0.00033901 0.00024958
0.04718987 0.01172820 0.00395835
15.49464126 7.34924004 4.56026600
-0.00009562 -0.00027677 -0.00022487
0.00937148 0.04680721 -0.03017589
-9.77954306 -4.59569654 8.03179455
-0.00120663 0.00039378 0.00046822
0.01801398 -0.00299356 0.01636092
-9.92823039 -4.24591967 5.05146142
0.00121350 -0.00149637 0.00009273
0.00068045 -0.00711108 0.01808178
-12.67719463 4.72962543 8.32617428
0.00064658 -0.00043599 -0.00084150
-0.01160442 -0.01808587 0.00702886
-13.86781789 1.89992749 8.54522573
-0.00005949 0.00033291 -0.00015226
0.00654094 0.02043973 0.00967436
-15.49867502 2.17968940 4.95464033
-0.00005691 0.00061774 0.00031131
0.01647592 0.01578309 0.04554450
-17.46236301 0.49068443 3.82691981
-0.00107568 0.00028972 -0.00037617
-0.00724264 -0.00782420 0.00477289
3.10574438 -21.33600013 11.94393769
-0.00041939 -0.00023731 0.00082519
0.00808322 -0.02984520 -0.01146478
3.88650204 -19.33475274 14.20739095
0.00090585 0.00109834 -0.00039894
-0.02276229 -0.01366257 -0.03849508
8.85646947 18.68415796 1.08679597
-0.00024695 0.00004089 -0.00010559
-0.01780719 0.01117535 0.00396167
8.65050872 21.69630485 2.08457267
-0.00003861 -0.00061291 0.00040790
-0.02226307 -0.00132835 0.01266368
-11.32389468 11.77089763 16.66235121
-0.00022129 0.00033595 0.00126951
0.00519211 0.00581586 -0.00057751
-12.58636475 14.26062522 15.82043881
-0.00010380 0.00023063 0.00011933
0.00054425 -0.01402041 -0.01015941
-5.15479791 0.19934767 -13.28014806
0.00018277 0.00011798 -0.00041396
0.01262021 -0.01668426 -0.01551543
-6.63009481 0.60238778 -10.89395033
0.00045129 0.00086308 -0.00131369
-0.00552676 -0.00080478 0.01285156
-6.92791451 6.28487100 -5.04409426
-0.00014825 -0.00067003 0.00024912
-0.00239913 0.00452711 -0.00431293
-9.12857371 8.09007952 -5.37077493
0.00014072 0.00022455 0.00014073
0.01545570 -0.00279654 -0.00607848
-8.01371642 -3.00353723 19.10169316
0.00078815 0.00037982 0.00026664
0.00269188 -0.02933074 -0.02013754
-8.23648461 -6.02701610 18.51436675
-0.00114840 -0.00030157 0.00057785
0.00385661 0.01722062 0.00026184
-23.58677072 -3.57514469 -23.55139132
-0.00064737 -0.00074911 0.00049953
0.00047675 0.00349628 0.00445830
-23.00821827 -5.03708188 -20.98936369
0.00006529 0.00045470 -0.00016574
-0.00100663 0.01127749 -0.00586851
7.11866674 13.23598158 4.30295883
0.00051359 0.00001596 0.00038112
-0.01402486 0.00352929 0.00857677
8.16699216 11.98693461 6.47922402
0.00047362 -0.00017434 0.00058998
0.01599702 -0.01593866 0.01900303
24.93056792 28.91983856 -2.31495623
0.00013725 -0.00014640 -0.00006717
0.00173902 -0.03007865 0.00653731
24.10881959 31.58294986 -1.60436004
-0.00016106 0.00020239 0.00025721
0.00296762 -0.00558849 -0.01881951
9.16051065 -2.02514941 -15.50681111
-0.00036821 0.00084507 -0.00129458
-0.00500828 0.01430597 0.00963553
7.88226290 -2.06950528 -13.06270994
-0.00079799 -0.00059123 -0.00166032
-0.00748203 0.00922372 -0.00029390
-7.74915930 -0.13385384 15.85617757
0.00051417 0.00098785 0.00024403
0.01648342 0.02511975 0.01625598
-8.85744988 -2.05568624 14.46525506
-0.00028041 -0.00053589 0.00019614
0.02840160 0.00552733 -0.02029101
-2.36817148 -26.75297663 12.91910164
0.00108616 -0.00018083 -0.00023637
-0.00081786 0.00394041 -0.01383435
-3.07805920 -25.91416942 9.99106493
0.00011499 -0.00002246 -0.00080796
0.01266390 -0.00443851 0.01352970
-14.74523905 -2.88108671 -6.28969287
-0.00008027 0.00046666 -0.00018460
0.00904154 0.00148365 -0.00367876
-14.56071872 -4.70065165 -8.69844708
0.00056570 0.00005485 -0.00001261
-0.00291789 0.00513383 -0.00671651
-19.32442465 -11.00043103 -16.91898958
-0.00054178 0.00095640 0.00033842
-0.02147156 -0.03539788 -0.01273665
-18.27971645 -13.28618680 -18.02505739
-0.00010618 -0.00033065 0.00032380
-0.00869869 -0.01434302 -0.00594197
24.13601675 3.71103285 1.82049034
-0.00021120 0.00011341 0.00018101
0.00140690 -0.01880310 -0.02243390
22.96865847 5.15697736 3.80742185
-0.00029145 -0.00025586 0.00021728
-0.01294621 -0.00455029 0.01229467
16.26839141 -9.97057845 -13.06703522
-0.00028296 0.00055675 0.00073228
0.02579234 0.00049124 -0.03632875
17.01872166 -10.13136399 -16.15017360
0.00005595 0.00000688 0.00013026
0.00234474 0.00565904 0.02770165
-0.33030906 1.99420922 -7.89771273
0.00091138 -0.00080201 0.00026846
0.01072861 -0.00335554 -0.00346189
-2.28974764 -0.06132716 -6.96462649
0.00002068 -0.00004235 0.00020494
0.00561068 0.01637175 -0.01704747
-5.37345105 -4.12576703 -16.74949942
0.00081929 -0.00087873 0.00003194
0.01683250 0.02197193 0.01699176
-3.93617742 -1.53637712 -16.67310911
-0.00102377 0.00021943 -0.00053756
0.00019386 -0.00003740 -0.00948926
12.41819779 18.85874340 -20.42844321
-0.00029272 0.00041108 0.00049114
0.01802611 0.00143386 0.00218693
11.98838830 16.20175415 -20.18104602
0.00097785 -0.00015368 -0.00011924
0.00594136 -0.01572536 0.00036783
-15.39445141 15.71957064 -13.69242627
0.00021557 -0.00021865 -0.00106102
0.02329892 -0.00826908 -0.04120346
-17.45648937 15.00521558 -12.09985915
0.00033707 -0.00038932 0.00016514
0.01062141 0.01643775 0.00409552
2.35229328 15.08004757 5.80351637
-0.00076785 0.00003778 0.00017479
0.01801252 -0.01081732 -0.00195841
0.74489136 15.81474977 7.83503422
-0.00039730 0.00054874 -0.00086213
-0.03055538 0.01774207 0.02242918
-5.86079411 -8.06413248 1.36352153
0.00046114 -0.00003935 0.00096325
0.01804901 -0.04602933 0.02719834
-3.63072315 -10.11516416 1.83505675
-0.00013388 -0.00100931 0.00026096
0.00846473 0.00942898 -0.00896214
2.92127369 -4.51736122 2.93362270
0.00139109 0.00026707 0.00007666
0.00208835 -0.07112658 -0.00415071
4.51230095 -6.67220930 1.56914119
0.00040357 -0.00041915 0.00048217
0.00479509 -0.00746977 0.00084533
9.28995715 5.81748624 3.67749600
-0.00004376 0.00058984 -0.00132823
0.01923619 -0.00621690 0.01365716
12.03336076 6.36584384 4.71243587
-0.00000382 0.00021780 -0.00004741
0.00783880 0.00706111 0.00232080
-7.28123855 -10.94865504 -2.53231620
-0.00057402 0.00068305 -0.00005349
-0.02478402 0.02880655 -0.01240083
-9.57563611 -9.38597096 -1.41281640
0.00044104 -0.00061941 0.00033507
0.01049848 -0.00258745 -0.02192733
4.40018362 -16.18278082 -14.36558850
-0.00047225 0.00151087 -0.00098330
0.02952442 -0.00411652 -0.02768536
3.68557860 -17.06471874 -11.83587762
-0.00053267 -0.00114843 0.00119107
-0.00062389 -0.02164473 0.02379456
5.67951609 -6.84230863 -6.13344786
-0.00044591 -0.00046340 -0.00012500
-0.00949515 -0.01904634 0.02164385
4.94994783 -8.21986804 -3.56496394
-0.00010509 -0.00024284 0.00131609
0.00501506 0.00398601 0.01034399
16.94906674 1.92348919 24.73422024
0.00022603 0.00075603 0.00011776
-0.00744494 -0.01696837 -0.00024406
19.64772656 2.46917877 24.35562921
-0.00024941 0.00019980 -0.00035857
0.01071894 -0.01169046 0.00992895
-9.81982552 4.02044696 2.32449467
-0.00010510 0.00003019 -0.00027836
0.00271704 -0.01483878 -0.00184062
-7.24905743 4.38076532 0.96079722
0.00065232 -0.00098019 -0.00005454
-0.01503353 -0.00793832 -0.00284285
-6.26492422 14.14353056 -9.04387535
-0.00015139 -0.00015308 -0.00017220
-0.01052398 0.00521082 -0.00718287
-9.18265243 13.60232618 -9.43933385
-0.00010212 -0.00045710 0.00020318
0.03511180 0.01295066 -0.01719460
0.50362365 10.83418700 -7.74243458
0.00030252 -0.00061570 0.00010509
-0.00966930 -0.00627434 -0.01231018
2.84767362 12.23897703 -7.62075814
0.00084977 -0.00062541 -0.00053091
-0.01324656 -0.00849627 -0.03465386
-10.11178748 9.11442394 -13.72133977
0.00078675 -0.00026827 0.00045295
-0.01370824 0.00559056 0.00122993
-12.68550016 9.80116477 -12.30078093
-0.00011135 -0.00065920 0.00021419
0.02792755 0.00452870 -0.03966532
7.30542311 6.36145427 14.52163291
-0.00049263 0.00028351 -0.00077294
-0.02119245 -0.02041686 0.02195128
7.34759436 4.38879950 12.95934470
0.00034333 -0.00078765 0.00017036
-0.00144664 -0.03106231 -0.01190233
-13.66144744 10.51690265 -8.50495349
-0.00027594 -0.00038152 0.00016489
-0.02401635 -0.00869989 0.00056749
-16.31113860 9.87347292 -9.97370898
-0.00058041 -0.00025244 0.00001480
0.01801846 -0.01543087 0.02250407
8.16830576 9.92343005 -2.50489632
-0.00033716 -0.00075465 -0.00051065
0.00708520 -0.00893887 0.01175980
7.73743137 8.46229071 -4.65053136
0.00073790 -0.00041811 -0.00074211
-0.03106832 -0.00642597 -0.05840700
12.04294031 -20.03006410 -26.30510911
-0.00042708 0.00061499 0.00042831
0.01639717 -0.00422461 -0.00273343
13.78429385 -20.29706538 -24.02645180
0.00045827 -0.00093733 0.00001887
0.00187329 0.00170059 -0.01612978
5.94253166 4.84736730 2.12799412
0.00041590 -0.00078394 -0.00114085
-0.00105048 0.01599294 0.02356163
6.47816677 7.21481617 0.85489219
0.00049439 -0.00009915 0.00007417
0.00500962 0.01979075 -0.01085614
20.46550415 -6.42820964 -5.72867428
-0.00019479 0.00006213 0.00010893
-0.02849144 0.00921237 -0.01304297
17.73807960 -5.24547190 -5.54448465
-0.00035484 0.00044108 -0.00031088
-0.02839346 0.01562395 0.02449913
-2.31522750 0.41925646 -1.05766945
0.00118208 -0.00008533 -0.00039535
-0.01992153 0.00588077 0.01440218
-2.39273424 0.97483150 -4.05692360
0.00103264 0.00003869 0.00013454
0.01526394 -0.00084628 0.01684822
3.59983192 -3.15449855 -12.20987841
-0.00044620 0.00112218 -0.00006850
0.00245028 0.00606116 0.00066812
0.72902910 -2.80526048 -11.55601290
-0.00049773 -0.00101643 0.00036377
0.01627033 0.02073929 -0.00128771
19.09933209 8.37905812 -6.61950279
-0.00054669 -0.00032887 -0.00055437
0.02949093 0.01631904 0.01915780
21.64335261 8.57932721 -4.95529464
-0.00008976 -0.00070991 -0.00050018
0.02642526 -0.01921777 0.00581620
-7.23847506 4.60859343 9.07312504
0.00066461 -0.00007064 0.00075505
-0.00059561 -0.00073077 0.00411872
-7.87653674 6.31166837 11.29871922
-0.00113292 0.00018106 0.00120509
-0.00430002 0.00000478 0.01281804
-3.17209187 -16.22446174 11.02150484
0.00046024 -0.00019345 -0.00117988
0.01456644 -0.01217113 -0.00127158
-4.22140688 -13.79452644 11.47312153
-0.00016017 0.00004615 -0.00067078
0.01465056 0.00571909 -0.00139745
8.61709982 0.58488179 -3.14328596
0.00055369 0.00014138 0.00061439
-0.00928512 -0.00449956 -0.02540779
7.85960478 1.72316977 -5.80858867
-0.00000342 -0.00062286 -0.00051354
-0.00848822 0.04812631 -0.01820413
0.85806213 -10.82672187 1.72631512
-0.00116896 -0.00073165 0.00067805
0.00262968 -0.00402939 0.00813452
0.04159591 -8.44159506 0.24583109
-0.00021110 -0.00057461 -0.00073092
0.00133077 -0.00977941 -0.00716671
-20.24281881 -1.49157275 6.64941966
-0.00019432 -0.00020435 -0.00049225
0.00265366 0.00725259 -0.00829792
-21.28073878 0.19701675 4.48687895
-0.00016281 -0.00006994 0.00008820
-0.02940958 0.04027730 -0.00842015
-3.81301488 8.30354611 -25.26962035
0.00001589 0.00007308 0.00128466
0.00717510 0.01696143 0.02093225
-4.56470125 8.78061768 -22.26106627
0.00011236 -0.00038575 0.00016168
0.00980391 0.02770357 0.01314527
4.26276755 1.38020795 -0.88953641
0.00124098 0.00092548 -0.00005619
-0.02892291 0.00206881 -0.00888586
1.26608765 1.06345144 -1.57529795
-0.00034076 -0.00002229 0.00052919
-0.00475951 -0.01211634 -0.01206060
15.68603629 7.71013121 6.31618560
-0.00044504 0.00029012 0.00055257
0.00328486 -0.00460273 0.01998392
15.93880109 9.08138717 3.84140351
0.00020052 0.00041474 -0.00070865
-0.01391872 -0.03775912 0.00700600
-0.28577204 -11.82128178 -13.17840274
0.00018517 -0.00000743 0.00022120
0.00999322 0.00050104 -0.00102500
-13.94717892 14.43591460 22.24829340
-0.00001801 -0.00013399 0.00016074
0.00186396 -0.00047674 0.00259023
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03018834
0.28667694
381.98265315
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.2977667770 (a.u.)
total exchange computation time: 2.7021241188 s
-154.0504833360
-931.31552187
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.2979167663 (a.u.)
total exchange computation time: 2.7037892342 s
-154.0508422517
Anderson extrapolation: theta=1.3434185396 (1.3434185396)
-931.31578125
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.2980763651 (a.u.)
total exchange computation time: 2.7032070160 s
-154.0516804820
Anderson extrapolation: theta=0.0501993383 (0.0501993383)
-931.31593653
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.2980447549 (a.u.)
total exchange computation time: 2.7023928165 s
-154.0520855232
Anderson extrapolation: theta=1.9178247479 (1.9178247479)
-931.31594237
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.2979661208 (a.u.)
total exchange computation time: 2.7026579380 s
-154.0529438248
Anderson extrapolation: theta=0.2222574278 (0.2222574278)
-931.31594863
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.2979417551 (a.u.)
total exchange computation time: 2.7036881447 s
-154.0531254634
Anderson extrapolation: theta=1.9257433497 (1.9257433497)
-931.31594989
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.2979053118 (a.u.)
total exchange computation time: 2.7040088177 s
-154.0533305865
Anderson extrapolation: theta=0.2923837601 (0.2923837601)
-931.31595164
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2979056463 (a.u.)
total exchange computation time: 2.7013380527 s
-154.0532533905
Anderson extrapolation: theta=1.3115921811 (1.3115921811)
-931.31595212
-164.442801 50.031127 -203.970213
-132.714509 460.763169 -801.454273
-297.157310 510.794296 -1005.424485
1166.229684
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.2979137777 (a.u.)
total exchange computation time: 2.7037930489 s
677.73202508
-1081.49472149
89.98996444
-390.60536263
-174.63994419
77.11494715
551.60419304
0.00000000
-931.31595256
-10.88463065 -4.30843448 6.67410797
0.00012656 -0.00016153 0.00003528
-0.01672962 0.00231818 -0.03161337
-13.90839133 3.69170456 9.25016354
0.00016721 0.00027149 -0.00015374
0.00726814 0.00097685 -0.01203576
-15.94690449 1.46243923 3.43196940
0.00002618 0.00029343 -0.00015155
-0.01185525 -0.00455854 -0.04737922
2.64627381 -19.84974145 12.80907227
0.00020655 0.00001309 0.00000995
0.00823191 0.05211034 0.05336505
9.56938750 20.36794603 1.27906858
-0.00001128 0.00004276 0.00031576
0.03447283 -0.01589203 -0.02471045
-12.11869443 12.55116894 15.20286736
-0.00009977 0.00001711 -0.00000682
0.01107126 0.01844032 0.01235370
-6.17968804 1.39917461 -12.48112645
0.00010886 -0.00022872 -0.00014765
-0.00862950 0.02800533 -0.00564947
-7.44311428 7.73373952 -6.06505865
-0.00013620 -0.00009648 -0.00033196
-0.01522910 -0.01245596 0.00703916
-7.77509862 -4.36250342 17.80536377
-0.00005455 -0.00005730 -0.00002144
-0.00457626 0.00150363 0.02923324
-23.60293833 -5.20977541 -22.71232352
-0.00021979 -0.00031805 -0.00034193
-0.00211900 -0.01249909 0.00524636
6.59991622 12.75764971 6.03152457
-0.00000262 0.00002449 -0.00023002
0.00831597 0.00750971 -0.02804166
24.79905555 30.54805428 -3.01348118
0.00014030 0.00021597 -0.00022646
-0.01260045 0.03257672 0.01233347
7.92502519 -0.95813760 -14.52353171
0.00003844 0.00020018 0.00022684
0.00959860 -0.02131604 -0.00739210
-7.39378648 -0.87196568 14.24107545
-0.00030558 0.00009195 -0.00039405
-0.04084180 -0.02718919 -0.00369212
-1.70426736 -26.18401000 11.22814465
0.00012900 0.00004628 -0.00012794
-0.01634075 -0.00277772 -0.01203288
-14.01245453 -4.43013427 -6.97962398
0.00012936 0.00007159 0.00002868
-0.00568696 -0.01087013 0.00380904
-19.98698093 -12.67787914 -17.66947546
0.00020343 -0.00007038 0.00016007
0.02697687 0.05670826 0.02013112
22.79165969 3.51054451 3.01705147
0.00017494 0.00002748 0.00011151
-0.00142620 0.03139956 0.02196423
17.64024382 -10.38222180 -14.39003649
-0.00019293 -0.00038602 -0.00011581
-0.02936794 0.00508350 0.01427104
-1.93580853 1.75733113 -7.03424982
0.00008950 -0.00017255 -0.00002668
-0.01922310 -0.01211616 -0.00021696
-4.34156602 -2.99384829 -15.64800438
-0.00027576 0.00006774 -0.00007079
-0.01305614 -0.01907793 -0.01250335
13.41245764 17.33047972 -19.89298259
0.00000774 0.00010727 0.00027470
-0.01372744 0.01684918 -0.01198974
-15.95355215 16.14354666 -12.07652425
0.00052226 0.00025139 0.00028858
-0.02758026 -0.00838565 0.03166727
2.06944158 14.66376651 7.58435615
0.00050528 0.00023103 0.00004829
-0.00638482 -0.01011017 -0.01181948
-5.36503887 -9.72575785 2.29112543
-0.00006552 -0.00012148 0.00017278
-0.01701639 0.03393824 -0.01449807
3.05455116 -6.56666974 2.69823922
-0.00013141 -0.00013429 0.00027593
-0.00633079 0.09085824 0.00229988
10.84876241 5.01294023 4.41588817
-0.00009663 0.00028732 0.00000630
-0.03943759 0.01562167 -0.00706474
-8.53674209 -9.55225026 -2.98533269
0.00003138 0.00022590 -0.00049077
0.00586737 -0.02752857 0.03864809
3.19441395 -15.94348377 -13.12403721
0.00014913 0.00010484 0.00003580
-0.03298226 0.02329022 0.01279435
4.76649171 -8.31310590 -5.34907738
-0.00009690 0.00036500 0.00029868
0.00022221 0.01253807 -0.02219272
18.54234102 1.00246462 24.61974521
-0.00006176 0.00015126 -0.00022260
-0.00778593 0.02198898 -0.00229986
-8.59219621 3.10754690 1.19310287
-0.00026667 0.00007061 0.00009700
0.02820032 0.01111713 -0.01210032
-7.58073011 14.21710714 -10.33692915
0.00043240 -0.00006060 0.00035456
-0.02854637 -0.02173072 0.02008973
1.69701620 11.45396066 -8.99647164
0.00000533 0.00019848 0.00016220
0.02350520 0.01800999 0.04453618
-11.63224641 10.17308736 -13.90457436
0.00016580 0.00029128 -0.00015062
-0.01158382 -0.01965612 0.04464904
6.83446107 4.48112954 14.72629889
-0.00030892 0.00032615 -0.00007078
0.02575075 0.03985132 -0.01687829
-14.88757477 9.10920149 -8.98707222
-0.00020732 -0.00023590 0.00023096
0.00064742 0.02712485 -0.02407327
8.47369743 8.19993902 -3.10877689
-0.00005868 0.00005559 0.00006102
0.02301954 0.01397104 0.04630302
13.80412040 -20.46729504 -25.92639312
0.00013334 -0.00006090 -0.00019524
-0.02351966 0.00914054 0.02417894
6.16649186 6.69646526 2.55828809
-0.00022331 0.00033903 -0.00016386
0.00139681 -0.04520359 -0.01723446
18.96516833 -5.80193583 -6.69674250
-0.00032217 -0.00011363 -0.00016468
0.05386463 -0.02673237 -0.00607386
-1.68648123 -0.08944856 -2.65661689
-0.00007811 -0.00023279 0.00016519
0.01031910 -0.01256421 -0.01371539
2.35879816 -1.80105915 -12.06336520
0.00023463 0.00005874 0.00017243
-0.01878339 -0.02456648 -0.00643283
20.08140221 9.37844042 -5.33398381
-0.00064375 0.00015797 -0.00014034
-0.04131723 -0.00380590 -0.03397954
-7.60827869 6.37843669 9.51734538
-0.00023669 -0.00016871 -0.00000510
-0.00151727 -0.00089597 0.00230870
-2.53367659 -14.56685441 11.43491859
0.00008233 0.00003361 -0.00004649
-0.03494727 -0.00069928 0.00563221
8.11504804 0.23069120 -4.90822275
-0.00002484 -0.00025988 0.00009387
0.01459400 -0.04231894 0.05245775
-0.14377279 -10.28557314 0.29552184
-0.00013806 -0.00027533 -0.00022302
-0.00608830 0.00098317 0.00155872
-20.24903651 -1.17567472 4.79069687
-0.00020427 0.00027922 0.00012870
0.03398486 -0.05221064 0.01436599
-4.55206048 7.71301575 -23.65887433
0.00008666 0.00012691 -0.00023771
-0.02313604 -0.04746992 -0.01159922
2.60102839 2.19717146 -1.07358228
0.00021391 -0.00033287 0.00025167
0.04774612 0.01213485 0.00416938
15.49324308 7.34526905 4.55677662
-0.00009035 -0.00025155 -0.00023906
0.01112020 0.05125341 -0.02504166
-9.79709045 -4.58988160 8.03931919
-0.00112696 0.00038006 0.00054339
0.02098128 -0.00372209 0.02043713
-9.91000707 -4.26858311 5.05340652
0.00121308 -0.00152471 0.00017049
-0.00088334 -0.00676096 0.01998001
-12.66785153 4.72253132 8.31376723
0.00059685 -0.00051027 -0.00081080
-0.01273879 -0.01827094 0.00799692
-13.86850982 1.90554743 8.54323822
-0.00003335 0.00041504 -0.00011197
0.00625676 0.01976437 0.01005044
-15.49902380 2.18943907 4.96070567
0.00000621 0.00067687 0.00048669
0.01442070 0.01316189 0.04030503
-17.47872008 0.49479042 3.82142356
-0.00109495 0.00026443 -0.00035812
-0.00219330 -0.00455612 0.00406250
3.09970124 -21.34047427 11.95596429
-0.00038447 -0.00036429 0.00077541
0.00900754 -0.03231593 -0.01290319
3.89939227 -19.31869631 14.20022725
0.00081078 0.00104078 -0.00055742
-0.02377700 -0.01451436 -0.03908182
8.85221954 18.68511369 1.08533345
-0.00031820 0.00008779 -0.00008932
-0.01706803 0.01178608 0.00400370
8.64924741 21.68707042 2.09107917
-0.00013263 -0.00061287 0.00046244
-0.02376296 0.00135067 0.01403387
-11.32705500 11.77611503 16.68137609
-0.00020481 0.00036384 0.00125691
0.00287896 0.00783937 -0.00558629
-12.58790510 14.26365506 15.82191739
-0.00010155 0.00017174 0.00007617
0.00055986 -0.01480884 -0.01096601
-5.15166959 0.20060609 -13.28683291
0.00023417 0.00004965 -0.00047675
0.01254097 -0.01676391 -0.01522245
-6.62349488 0.61530933 -10.91326191
0.00042311 0.00084873 -0.00124093
-0.00826375 -0.00622177 0.02276684
-6.93021183 6.27495924 -5.04048960
-0.00016067 -0.00064287 0.00022526
-0.00367980 0.00876663 -0.00736742
-9.12598925 8.09336215 -5.36885018
0.00020299 0.00021342 0.00011584
0.01502571 -0.00265600 -0.00610815
-8.00181163 -2.99873873 19.10507572
0.00079890 0.00025709 0.00018131
0.00256736 -0.03074699 -0.02163118
-8.25359239 -6.03101194 18.52304255
-0.00112930 -0.00022333 0.00057496
0.00549250 0.02107781 -0.00167694
-23.59646660 -3.58627425 -23.54376178
-0.00064563 -0.00072502 0.00051085
0.00037208 0.00829615 0.00108460
-23.00726974 -5.02991586 -20.99202959
0.00005972 0.00049838 -0.00019406
-0.00172051 0.01010601 -0.00799333
7.12594081 13.23632917 4.30893846
0.00045782 0.00003153 0.00041065
-0.01327543 0.00409246 0.00587986
8.17458673 11.98383114 6.48865602
0.00052826 -0.00023413 0.00066413
0.01074880 -0.01332955 0.01729349
24.93267995 28.91672086 -2.31576340
0.00014379 -0.00026152 -0.00004365
0.00146483 -0.02627331 0.00497319
24.10649465 31.58581446 -1.60107856
-0.00014702 0.00017688 0.00017620
0.00390511 -0.00689895 -0.02083691
9.15483398 -2.01203504 -15.52593451
-0.00039014 0.00090442 -0.00125221
-0.00572274 0.01475011 0.01110259
7.87006373 -2.07809105 -13.08762367
-0.00082846 -0.00056304 -0.00164905
-0.00743358 0.00457272 0.00580987
-7.74094169 -0.11826640 15.86033622
0.00058188 0.00108276 0.00029783
0.01666385 0.02134265 0.01007858
-8.86078577 -2.06355529 14.46757542
-0.00016072 -0.00050837 0.00011448
0.03018862 0.00794669 -0.01968364
-2.35190408 -26.75556830 12.91513214
0.00107916 -0.00016592 -0.00028929
-0.00261286 0.00335756 -0.01207013
-3.07594634 -25.91464226 9.97936005
0.00016991 -0.00004143 -0.00074802
0.01422233 -0.00484983 0.01581350
-14.74616606 -2.87404139 -6.29257457
-0.00004133 0.00046842 -0.00020104
0.01001858 -0.00061841 -0.00437044
-14.55232268 -4.69967163 -8.69884200
0.00055336 0.00007555 -0.00004122
-0.00312179 0.00500134 -0.00728868
-19.33320932 -10.98716973 -16.91430356
-0.00062887 0.00080485 0.00028324
-0.02115942 -0.03878457 -0.01427416
-18.28157574 -13.29158612 -18.02038252
-0.00013844 -0.00038802 0.00029933
-0.00709111 -0.01373597 -0.00603601
24.13289188 3.71215780 1.82251805
-0.00020158 0.00003767 0.00008649
0.00330325 -0.01827182 -0.02383205
22.96389007 5.15300002 3.81105777
-0.00034343 -0.00027140 0.00026872
-0.01250067 -0.00305546 0.01288494
16.26493740 -9.96221216 -13.05716420
-0.00017342 0.00055705 0.00057902
0.02782676 -0.00034372 -0.03869622
17.01963284 -10.13108737 -16.14737081
0.00006368 0.00003033 0.00024007
0.00143689 0.00581878 0.02605080
-0.31630960 1.98207624 -7.89379190
0.00094900 -0.00081554 0.00025747
0.00768618 -0.00326980 -0.00192001
-2.28926558 -0.06146078 -6.96207485
0.00004247 0.00002232 0.00013556
0.00505879 0.01528618 -0.01691142
-5.36064585 -4.13827464 -16.74849967
0.00088625 -0.00078960 0.00010051
0.01594500 0.02165880 0.01657666
-3.95152804 -1.53308681 -16.68146323
-0.00102341 0.00021653 -0.00057421
-0.00001610 -0.00138282 -0.00845262
12.41435935 18.86495347 -20.42100904
-0.00021830 0.00041341 0.00050130
0.01840443 -0.00028992 0.00278599
12.00323816 16.19896710 -20.18282331
0.00099590 -0.00022154 -0.00011918
0.00289034 -0.01749350 -0.00034011
-15.39050383 15.71603752 -13.70960414
0.00030237 -0.00024683 -0.00120642
0.01918856 -0.00552507 -0.02997215
-17.45110788 14.99987955 -12.09725655
0.00038544 -0.00031762 0.00018236
0.01305553 0.01865542 0.00433549
2.34132749 15.08028281 5.80607826
-0.00069109 -0.00000623 0.00016104
0.01956094 -0.01072544 -0.00477463
0.73799552 15.82352454 7.82278951
-0.00051120 0.00061114 -0.00077080
-0.02519614 0.01280384 0.02227843
-5.85332398 -8.06613323 1.37880366
0.00053382 -0.00022357 0.00107094
0.01752932 -0.04414816 0.02552062
-3.63247203 -10.13001490 1.83869657
-0.00010099 -0.00096932 0.00022426
0.00763660 0.01014634 -0.00900356
2.94220409 -4.51553472 2.93464535
0.00139688 -0.00002493 0.00006025
0.00074266 -0.07180674 -0.00387952
4.51850138 -6.67872545 1.57639962
0.00041975 -0.00045059 0.00048796
0.00312852 -0.00792034 0.00198921
9.28989022 5.82614336 3.65799104
0.00003917 0.00056184 -0.00126859
0.02135699 -0.00749064 0.01553869
12.03354359 6.36932729 4.71179577
0.00002812 0.00024643 -0.00003821
0.00779724 0.00695018 0.00218474
-7.29060838 -10.93752653 -2.53349861
-0.00066843 0.00079505 -0.00010488
-0.02142854 0.02601523 -0.01275430
-9.56869886 -9.39534142 -1.40846221
0.00048434 -0.00062816 0.00024114
0.01069998 -0.00169708 -0.02405625
4.39400463 -16.16024389 -14.38118634
-0.00035366 0.00149246 -0.00109041
0.02852329 -0.00489778 -0.02474790
3.67756946 -17.08260844 -11.81728244
-0.00053976 -0.00122117 0.00126532
-0.00284935 -0.01396317 0.01255248
5.67253647 -6.84984329 -6.13465968
-0.00048062 -0.00053448 -0.00003764
-0.00749588 -0.01574613 0.02111937
4.94852512 -8.22338843 -3.54490565
-0.00008515 -0.00022605 0.00134087
0.00474711 0.00422997 0.00178461
16.95222909 1.93430972 24.73597914
0.00019594 0.00068508 0.00011714
-0.00728353 -0.01776223 -0.00005714
19.64431391 2.47181752 24.35055487
-0.00020404 0.00015210 -0.00031812
0.01148817 -0.01165604 0.00987316
-9.82131874 4.02044511 2.32026284
-0.00009523 -0.00002754 -0.00028329
0.00211439 -0.01341985 -0.00057299
-7.23973336 4.36581920 0.95989205
0.00058963 -0.00101102 -0.00006551
-0.01564996 -0.00715202 -0.00253007
-6.26751758 14.14139406 -9.04667842
-0.00018602 -0.00013221 -0.00019295
-0.00642724 0.00500493 -0.00297382
-9.18310825 13.59586654 -9.43681310
0.00004507 -0.00040256 0.00013134
0.03693492 0.01374767 -0.01797002
0.50786515 10.82475916 -7.74123542
0.00026407 -0.00064000 0.00005508
-0.00915189 -0.00561585 -0.01217036
2.86001419 12.22933549 -7.62978377
0.00079522 -0.00065849 -0.00066914
-0.01345369 -0.00769729 -0.03300741
-10.10040631 9.11057117 -13.71450788
0.00072183 -0.00023905 0.00045569
-0.01806770 0.00871472 0.00011383
-12.68631470 9.79141555 -12.29878360
0.00000468 -0.00063851 0.00004795
0.02887404 0.00560102 -0.04170733
7.29738421 6.36508123 14.51071147
-0.00057919 0.00020133 -0.00068392
-0.02117915 -0.01981044 0.02162528
7.35269996 4.37603292 12.96153533
0.00033761 -0.00091341 0.00012266
-0.00135059 -0.03049674 -0.01144344
-13.66632241 10.51091319 -8.50246277
-0.00037267 -0.00041521 0.00016764
-0.02333587 -0.00778877 0.00078182
-16.31929254 9.86921344 -9.97279742
-0.00050358 -0.00031694 0.00010867
0.01958991 -0.01614038 0.02344921
8.16346546 9.91183638 -2.51219571
-0.00031088 -0.00077916 -0.00045851
0.00577865 -0.00305958 0.01376212
7.74754787 8.45582216 -4.66345271
0.00061606 -0.00044588 -0.00097216
-0.02857271 -0.00717009 -0.05420454
12.03703657 -20.02096868 -26.29876825
-0.00035278 0.00059567 0.00041829
0.01997164 -0.00523281 -0.00217258
13.79122536 -20.31107325 -24.02666300
0.00046570 -0.00092997 -0.00004869
0.00176169 0.00190424 -0.01694369
5.94873790 4.83609824 2.11160344
0.00041225 -0.00070717 -0.00104003
-0.00073282 0.02158811 0.02578664
6.48573612 7.21393537 0.85567204
0.00051507 -0.00001603 0.00002665
0.00511438 0.02089562 -0.01240532
20.46170925 -6.42699534 -5.72744000
-0.00031266 0.00010008 0.00005499
-0.02920869 0.00936502 -0.01336069
17.73188694 -5.23837689 -5.54839711
-0.00046883 0.00050395 -0.00021277
-0.02740307 0.01515017 0.02352595
-2.29810675 0.41815676 -1.06315833
0.00109499 -0.00005648 -0.00032382
-0.02270953 0.00824063 0.02060905
-2.37677697 0.97538599 -4.05438920
0.00109289 0.00003734 0.00020081
0.01423044 0.00018141 0.01559289
3.59321406 -3.13748016 -12.21088543
-0.00042352 0.00113376 -0.00006701
0.00865189 -0.00039128 0.00006107
0.72206167 -2.81987144 -11.55059580
-0.00042588 -0.00092725 0.00035654
0.01890238 0.02291433 -0.00225225
19.09203543 8.37462513 -6.62723133
-0.00042513 -0.00025910 -0.00047240
0.03001241 0.01783366 0.02096767
21.64281591 8.56808961 -4.96261917
0.00000540 -0.00078084 -0.00047892
0.02015903 -0.01550096 0.00459256
-7.22852416 4.60751146 9.08457693
0.00066191 -0.00007530 0.00077131
-0.00072542 -0.00155043 0.00384050
-7.89366229 6.31438441 11.31718829
-0.00114674 0.00018168 0.00123570
-0.00246772 0.00029857 0.00216943
-3.16474197 -16.22773646 11.00376773
0.00052098 -0.00023741 -0.00118323
0.01516842 -0.00934957 -0.00036928
-4.22336042 -13.79365900 11.46301694
-0.00009801 0.00006743 -0.00067623
0.01577525 0.00470191 -0.00127011
8.62512063 0.58686465 -3.13484867
0.00051301 0.00012167 0.00050177
-0.01062652 -0.00514890 -0.02972175
7.85929340 1.71530168 -5.81684957
-0.00003749 -0.00042757 -0.00058614
-0.00819016 0.04746673 -0.01733708
0.84060830 -10.83782002 1.73673513
-0.00115968 -0.00074562 0.00070743
0.00191401 -0.00281085 0.00624677
0.03847023 -8.45051392 0.23464762
-0.00020474 -0.00061031 -0.00075902
0.00178241 -0.00769572 -0.00658557
-20.24565223 -1.49441573 6.64178162
-0.00018355 -0.00017496 -0.00051967
0.00261559 0.00713292 -0.00512405
-21.28408217 0.19720188 4.48794396
-0.00028561 0.00009775 0.00005355
-0.03070176 0.04180800 -0.00853971
-3.81255666 8.30516205 -25.24970909
0.00005158 0.00014745 0.00135430
0.01029750 0.01944119 0.01315883
-4.56271540 8.77568043 -22.25823831
0.00015236 -0.00027403 0.00021447
0.00977449 0.02698261 0.01269897
4.28049596 1.39415348 -0.89065150
0.00111740 0.00093308 -0.00009336
-0.03156834 0.00165164 -0.00931065
1.26083047 1.06274578 -1.56772966
-0.00035615 -0.00007221 0.00048008
-0.00277859 -0.01231949 -0.01198075
15.67946134 7.71434201 6.32508655
-0.00043298 0.00026921 0.00061992
0.00261843 -0.00563620 0.01298088
15.94138235 9.08645114 3.83098839
0.00014156 0.00025351 -0.00067588
-0.01493927 -0.04116189 0.00903926
-0.28296765 -11.82139188 -13.17508748
0.00018875 -0.00000725 0.00022084
0.00999733 0.00047871 -0.00099743
-13.94744585 14.43390389 22.25070900
-0.00001758 -0.00013409 0.00016134
0.00186092 -0.00036845 0.00257341
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03022688
0.28572569
380.71515285
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1365711195
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.2856845927 (a.u.)
total exchange computation time: 2.8269779682 s
-154.0030632400
-931.31590513
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1365711195
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.2859839955 (a.u.)
total exchange computation time: 2.8297619820 s
-154.0022444070
Anderson extrapolation: theta=1.3494459947 (1.3494459947)
-931.31616235
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1365711195
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.2863499514 (a.u.)
total exchange computation time: 2.8287429810 s
-154.0014865233
Anderson extrapolation: theta=0.0505162578 (0.0505162578)
-931.31631710
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1365711195
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.2863313690 (a.u.)
total exchange computation time: 2.8335700035 s
-154.0018046946
Anderson extrapolation: theta=1.9014831520 (1.9014831520)
-931.31632277
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1365711195
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.2862785644 (a.u.)
total exchange computation time: 2.8291170597 s
-154.0024898473
Anderson extrapolation: theta=0.2153262400 (0.2153262400)
-931.31632861
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1365711195
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.2862604701 (a.u.)
total exchange computation time: 2.8275327682 s
-154.0026299124
Anderson extrapolation: theta=1.9055580142 (1.9055580142)
-931.31632971
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1365711195
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.2862358417 (a.u.)
total exchange computation time: 2.8308789730 s
-154.0027605692
Anderson extrapolation: theta=0.2857771497 (0.2857771497)
-931.31633115
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1365711195
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.2862390745 (a.u.)
total exchange computation time: 2.8307981491 s
-154.0026697562
Anderson extrapolation: theta=1.3075297280 (1.3075297280)
-931.31633152
-164.459998 49.962562 -203.921516
-132.689067 460.754492 -801.492435
-297.149065 510.717054 -1005.413951
1166.184672
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1365711195
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.2862504463 (a.u.)
total exchange computation time: 2.8311069012 s
677.55894408
-1081.11379862
89.99883163
-390.86473197
-174.60932652
76.90333408
551.60419304
0.00000000
-931.31633185
-10.88279681 -4.31084850 6.67451527
0.00011772 -0.00016027 0.00001781
-0.01763313 0.00257934 -0.03632958
-13.90585516 3.69578073 9.24781101
0.00017123 0.00027220 -0.00016010
0.00838341 0.00176021 -0.01269018
-15.94655759 1.46682308 3.42951333
0.00001942 0.00029115 -0.00017401
-0.01442474 -0.00428695 -0.03996137
2.64940376 -19.84934410 12.80942733
0.00021080 0.00004035 0.00003748
0.00829846 0.05388750 0.05369375
9.56935123 20.36852616 1.28370969
0.00000658 0.00003393 0.00030278
0.03497416 -0.01846776 -0.02576975
-12.12014826 12.55149674 15.20281268
-0.00009353 0.00002621 0.00000084
0.01319266 0.01694437 0.01745577
-6.17808843 1.39585177 -12.48336297
0.00010533 -0.00021307 -0.00015338
-0.00509655 0.03287631 -0.01663009
-7.44521604 7.73224434 -6.07001093
-0.00014355 -0.00010391 -0.00032770
-0.01335166 -0.01645724 0.00954929
-7.77593457 -4.36335711 17.80515499
-0.00005718 -0.00005714 -0.00000578
-0.00562379 -0.00087451 0.03165994
-23.60624331 -5.21459433 -22.71743224
-0.00022063 -0.00032547 -0.00033788
-0.00114513 -0.01635025 0.01051048
6.59990895 12.75804600 6.02796609
0.00000287 0.00002749 -0.00024312
0.01303931 0.00415071 -0.02288863
24.80111144 30.55141949 -3.01683048
0.00013370 0.00023175 -0.00021927
-0.01305930 0.02877843 0.01561990
7.92563882 -0.95521705 -14.52015757
0.00004357 0.00019035 0.00022111
0.01034212 -0.01691364 -0.01491505
-7.39852766 -0.87069129 14.23515039
-0.00032691 0.00007849 -0.00039447
-0.04213359 -0.02517568 0.00209595
-1.70239540 -26.18332652 11.22617913
0.00012080 0.00004514 -0.00013512
-0.01556226 -0.00166491 -0.01587527
-14.01053603 -4.42910233 -6.97917908
0.00012628 0.00006650 0.00003089
-0.00631511 -0.00891546 0.00479593
-19.98382537 -12.67871614 -17.66699678
0.00021665 -0.00004067 0.00017067
0.02439880 0.05884778 0.02110975
22.79427835 3.51107782 3.01880890
0.00017369 0.00004308 0.00012290
-0.00343433 0.02928435 0.02232052
17.63723658 -10.38799247 -14.39171852
-0.00020814 -0.00038325 -0.00010738
-0.02978318 0.00568534 0.01848936
-1.93454021 1.75469608 -7.03465084
0.00008067 -0.00017839 -0.00002720
-0.01512308 -0.01056038 -0.00182213
-4.34575273 -2.99290573 -15.64911439
-0.00028202 0.00005853 -0.00007727
-0.01131472 -0.01676438 -0.01272856
13.41252077 17.33215374 -19.88890835
0.00000134 0.00011673 0.00026861
-0.01117062 0.01993622 -0.01169374
-15.94582458 16.14728509 -12.07207335
0.00050870 0.00024587 0.00030177
-0.02516083 -0.01305900 0.01962378
2.07699615 14.66719303 7.58503498
0.00050010 0.00022715 0.00004299
-0.01376867 -0.00500786 -0.00881998
-5.36608727 -9.72744913 2.29366123
-0.00007374 -0.00010493 0.00016579
-0.01496000 0.03041984 -0.01267346
3.05255552 -6.56833366 2.70238698
-0.00013389 -0.00008757 0.00027662
-0.00328740 0.09084747 0.00041885
10.84716083 5.01731032 4.41595536
-0.00011732 0.00029569 0.00000232
-0.04101959 0.01690821 -0.00839028
-8.53624877 -9.54896792 -2.99254517
0.00003338 0.00021238 -0.00047043
0.00192582 -0.02504111 0.04044859
3.19652364 -15.94182130 -13.12345083
0.00013317 0.00011501 0.00004409
-0.02907033 0.01626078 0.01943483
4.76503910 -8.30758251 -5.34468285
-0.00009731 0.00037036 0.00028964
-0.00181747 0.00828739 -0.01294930
18.54138460 1.00481836 24.61639727
-0.00006598 0.00016263 -0.00022373
-0.00862257 0.02224004 -0.00207322
-8.59608740 3.10864886 1.19451122
-0.00025191 0.00007568 0.00009035
0.02918687 0.00861194 -0.01374893
-7.57435420 14.21611427 -10.33153326
0.00041634 -0.00007187 0.00036381
-0.03391499 -0.02209406 0.01589608
1.69718685 11.45700727 -8.99386678
0.00001717 0.00020730 0.00018453
0.02252358 0.01631106 0.04229345
-11.62980412 10.17738078 -13.90666148
0.00016068 0.00028024 -0.00012707
-0.00831066 -0.02327055 0.04694688
6.82992659 4.48617551 14.72517211
-0.00029574 0.00034609 -0.00007962
0.02551808 0.03767767 -0.01749659
-14.89068201 9.10576763 -8.98370072
-0.00020744 -0.00022209 0.00021836
-0.00112683 0.02658169 -0.02491985
8.47290597 8.20082670 -3.10768292
-0.00004738 0.00006138 0.00008259
0.02094549 0.00856945 0.03754270
13.80602983 -20.46817329 -25.92922851
0.00012055 -0.00005597 -0.00018277
-0.02622105 0.01003144 0.02433216
6.16314766 6.70137638 2.55576378
-0.00022264 0.00031436 -0.00017293
0.00119061 -0.05073157 -0.01806722
18.96054359 -5.80374337 -6.69923610
-0.00029498 -0.00012709 -0.00016737
0.05184656 -0.02561138 -0.00437921
-1.68761302 -0.09298891 -2.65419190
-0.00007193 -0.00024002 0.00015704
0.01370158 -0.01554993 -0.01800243
2.36224513 -1.80027284 -12.06080359
0.00022263 0.00004737 0.00016960
-0.02785972 -0.01964182 -0.00457393
20.07158652 9.38079527 -5.33622001
-0.00066308 0.00015478 -0.00015776
-0.03381873 -0.00861374 -0.03374423
-7.61183482 6.37590261 9.51727774
-0.00023790 -0.00016900 -0.00000129
-0.00319589 -0.00025499 0.01251494
-2.53257647 -14.56635290 11.43424290
0.00006402 0.00003271 -0.00004388
-0.03625784 -0.00281042 0.00452533
8.11473167 0.22662969 -4.90661236
-0.00001726 -0.00028078 0.00012119
0.01490371 -0.03893177 0.05376929
-0.14586711 -10.28969931 0.29218251
-0.00014106 -0.00027580 -0.00022175
-0.00557851 -0.00281286 0.00337572
-20.25196940 -1.17168781 4.79268274
-0.00018680 0.00025260 0.00013510
0.03392886 -0.05129113 0.01051824
-4.55084979 7.71473635 -23.66248474
0.00007381 0.00010210 -0.00024120
-0.02685443 -0.04903693 -0.00198368
2.60442128 2.19222518 -1.06979120
0.00023833 -0.00032654 0.00025380
0.04719105 0.01249001 0.00412568
15.49193068 7.34169346 4.55309406
-0.00008427 -0.00022428 -0.00025050
0.01255233 0.05478508 -0.01942909
-9.81335198 -4.58429477 8.04809634
-0.00103702 0.00036384 0.00063325
0.02304900 -0.00421569 0.02354828
-9.89183788 -4.29166090 5.05657612
0.00120656 -0.00155144 0.00025517
-0.00230945 -0.00632480 0.02146957
-12.65928915 4.71431745 8.30185027
0.00054334 -0.00058447 -0.00077671
-0.01345635 -0.01805270 0.00869226
-13.86881829 1.91237866 8.54186666
-0.00000842 0.00049356 -0.00007042
0.00594547 0.01867001 0.01028872
-15.49848879 2.19999538 4.96924115
0.00006002 0.00072373 0.00063747
0.01192313 0.00978053 0.03350045
-17.49521157 0.49861719 3.81617630
-0.00109386 0.00025218 -0.00034280
0.00272695 -0.00143863 0.00343470
3.09421014 -21.34692892 11.96720010
-0.00034680 -0.00049863 0.00072129
0.00943348 -0.03344099 -0.01359242
3.91082529 -19.30352941 14.19066837
0.00071276 0.00098024 -0.00071662
-0.02420007 -0.01511780 -0.03884698
8.84692358 18.68679174 1.08411631
-0.00038630 0.00013687 -0.00007295
-0.01626797 0.01223968 0.00401203
8.64652977 21.67791877 2.09844576
-0.00023193 -0.00060293 0.00052184
-0.02484185 0.00351680 0.01504671
-11.33003888 11.78181288 16.70005861
-0.00019737 0.00039955 0.00122441
0.00075964 0.00963959 -0.01032371
-12.58941114 14.26577732 15.82272390
-0.00009944 0.00011050 0.00003008
0.00047327 -0.01516532 -0.01159425
-5.14777268 0.20083712 -13.29445069
0.00028391 -0.00001759 -0.00053721
0.01180697 -0.01615170 -0.01437210
-6.61740139 0.62784957 -10.93117821
0.00038376 0.00081217 -0.00112737
-0.01099870 -0.01167113 0.03282267
-6.93273467 6.26558476 -5.03733646
-0.00017791 -0.00059929 0.00018953
-0.00475981 0.01257058 -0.01012497
-9.12248393 8.09648200 -5.36729978
0.00026259 0.00020309 0.00009119
0.01414697 -0.00239848 -0.00595962
-7.98974950 -2.99582460 19.10713258
0.00080888 0.00013002 0.00009120
0.00231828 -0.03145555 -0.02248167
-8.27036355 -6.03371601 18.53161557
-0.00110376 -0.00013058 0.00056453
0.00701044 0.02432423 -0.00342790
-23.60613968 -3.59689538 -23.53606576
-0.00064446 -0.00068141 0.00050842
0.00020275 0.01305136 -0.00227616
-23.00642665 -5.02213048 -20.99518538
0.00005137 0.00053717 -0.00023054
-0.00236652 0.00888100 -0.00986370
7.13240128 13.23692757 4.31527845
0.00040556 0.00004951 0.00042857
-0.01230399 0.00470580 0.00289099
8.18284005 11.97991075 6.49914787
0.00056083 -0.00028285 0.00073071
0.00519268 -0.01051780 0.01530095
24.93488176 28.91199297 -2.31626577
0.00014905 -0.00035922 -0.00002724
0.00110636 -0.02155175 0.00306016
24.10440904 31.58825624 -1.59907410
-0.00012962 0.00014671 0.00008803
0.00461377 -0.00786992 -0.02232121
9.14880658 -1.99801669 -15.54437747
-0.00041458 0.00096517 -0.00120420
-0.00624436 0.01498400 0.01239826
7.85740897 -2.08639658 -13.11218134
-0.00085893 -0.00055440 -0.00161297
-0.00748048 -0.00034208 0.01185034
-7.73170282 -0.10137095 15.86511255
0.00065006 0.00116175 0.00032596
0.01670725 0.01732201 0.00368794
-8.86227150 -2.07093731 14.46868944
-0.00003512 -0.00047191 0.00003561
0.03129412 0.00990007 -0.01892546
-2.33579681 -26.75795419 12.91042291
0.00106476 -0.00015360 -0.00033452
-0.00443453 0.00267040 -0.01007170
-3.07296185 -25.91541234 9.96862433
0.00023020 -0.00006187 -0.00067965
0.01529103 -0.00515439 0.01765625
-14.74647907 -2.86703397 -6.29572411
0.00000145 0.00046189 -0.00022012
0.01092418 -0.00258203 -0.00496677
-14.54411795 -4.69838509 -8.69968363
0.00054034 0.00009573 -0.00007168
-0.00325335 0.00487394 -0.00762135
-19.34329077 -10.97628540 -16.91049234
-0.00071392 0.00064129 0.00022262
-0.02047130 -0.04127978 -0.01539876
-18.28386962 -13.29782727 -18.01607759
-0.00016400 -0.00044292 0.00027443
-0.00542289 -0.01314052 -0.00615071
24.12996945 3.71216295 1.82308518
-0.00018503 -0.00003580 -0.00001290
0.00479750 -0.01769200 -0.02482282
22.95835555 5.14883542 3.81548336
-0.00039338 -0.00028072 0.00032243
-0.01194783 -0.00150735 0.01340739
16.26318877 -9.95386694 -13.04966471
-0.00005693 0.00055420 0.00041754
0.02919520 -0.00105117 -0.04034961
17.02063207 -10.13045415 -16.14297146
0.00006741 0.00005456 0.00034187
0.00038966 0.00604487 0.02378030
-0.30183909 1.96974287 -7.88998874
0.00097372 -0.00082859 0.00025291
0.00441282 -0.00311407 -0.00031160
-2.28847349 -0.06065756 -6.96055965
0.00006171 0.00008150 0.00006691
0.00436031 0.01368254 -0.01669338
-5.34686345 -4.14945488 -16.74648399
0.00094873 -0.00070283 0.00016646
0.01463558 0.02081114 0.01570281
-3.96687964 -1.52988124 -16.69033538
-0.00102390 0.00020784 -0.00060635
-0.00022377 -0.00287124 -0.00728051
12.41164884 18.87114578 -20.41340412
-0.00014281 0.00040894 0.00051374
0.01854731 -0.00189705 0.00330288
12.01826517 16.19510794 -20.18462145
0.00100182 -0.00029615 -0.00012204
0.00000990 -0.01902946 -0.00105754
-15.38538026 15.71216578 -13.72861889
0.00037220 -0.00026362 -0.00130489
0.01499146 -0.00269408 -0.01822948
-17.44492627 14.99568684 -12.09438825
0.00044270 -0.00023777 0.00020047
0.01497332 0.02043534 0.00452588
2.33156051 15.07986073 5.80834753
-0.00060846 -0.00004973 0.00013617
0.02088695 -0.01056872 -0.00739678
0.72955550 15.83308402 7.81191016
-0.00060173 0.00065240 -0.00068045
-0.01912195 0.00739189 0.02194992
-5.84477955 -8.07083965 1.39564986
0.00060367 -0.00039790 0.00117066
0.01666288 -0.04118474 0.02329103
-3.63375289 -10.14424381 1.84178459
-0.00007211 -0.00092633 0.00018765
0.00650187 0.01090001 -0.00891657
2.96318002 -4.51810898 2.93543024
0.00139711 -0.00031780 0.00004509
-0.00062737 -0.07155831 -0.00354280
4.52489355 -6.68572701 1.58377995
0.00042901 -0.00048384 0.00049845
0.00140135 -0.00835714 0.00314793
9.29113217 5.83434141 3.63943839
0.00012957 0.00052920 -0.00120178
0.02289409 -0.00848772 0.01716378
12.03420429 6.37323669 4.71128958
0.00005941 0.00027398 -0.00002971
0.00751996 0.00653428 0.00197482
-7.30129148 -10.92480364 -2.53546268
-0.00074771 0.00089406 -0.00015716
-0.01737985 0.02245208 -0.01283600
-9.56110584 -9.40481589 -1.40558233
0.00052766 -0.00063310 0.00013970
0.01050445 -0.00071995 -0.02559894
4.38957374 -16.13800713 -14.39830090
-0.00024176 0.00147119 -0.00118278
0.02625148 -0.00551270 -0.02046683
3.66938570 -17.10135390 -11.79791797
-0.00055542 -0.00126292 0.00129440
-0.00481597 -0.00647249 0.00168274
5.66509745 -6.85834298 -6.13457717
-0.00050639 -0.00059085 0.00004666
-0.00511745 -0.01184689 0.02014602
4.94739335 -8.22664958 -3.52473798
-0.00006627 -0.00020818 0.00133118
0.00449648 0.00451766 -0.00652356
16.95494507 1.94404167 24.73773453
0.00016641 0.00061121 0.00011722
-0.00717155 -0.01839970 0.00009618
19.64160533 2.47374191 24.34608562
-0.00015552 0.00010496 -0.00027797
0.01226112 -0.01141962 0.00978036
-9.82268237 4.01962081 2.31599591
-0.00008796 -0.00007930 -0.00028293
0.00144409 -0.01191981 0.00074812
-7.23136841 4.35043476 0.95883182
0.00052511 -0.00103803 -0.00007531
-0.01593340 -0.00606840 -0.00226577
-6.27050484 14.13956429 -9.04966374
-0.00020324 -0.00011222 -0.00019592
-0.00200050 0.00478163 0.00151849
-9.18130047 13.59024945 -9.43539367
0.00019797 -0.00034538 0.00005723
0.03791057 0.01424103 -0.01830719
0.51154577 10.81498715 -7.74078214
0.00022785 -0.00066151 0.00000573
-0.00857969 -0.00491397 -0.01198942
2.87153024 12.21922222 -7.64083229
0.00074065 -0.00068784 -0.00079958
-0.01325858 -0.00666718 -0.03084566
-10.09013245 9.10725249 -13.70766901
0.00064043 -0.00019787 0.00045387
-0.02177796 0.01144048 -0.00100328
-12.68535965 9.78200960 -12.29934234
0.00012335 -0.00061372 -0.00012479
0.02921440 0.00653284 -0.04285052
7.28804732 6.36749408 14.50111536
-0.00066526 0.00012236 -0.00059661
-0.02095034 -0.01884298 0.02111502
7.35772280 4.36139730 12.96302463
0.00033214 -0.00103637 0.00007778
-0.00133090 -0.02969427 -0.01052955
-13.67262755 10.50444639 -8.49992414
-0.00046597 -0.00044456 0.00017144
-0.02233384 -0.00657796 0.00107375
-16.32624589 9.86396478 -9.97044875
-0.00042167 -0.00038358 0.00020542
0.02050432 -0.01647940 0.02390701
8.15897931 9.90005520 -2.51865168
-0.00029026 -0.00077891 -0.00039835
0.00431639 0.00318141 0.01568973
7.75591327 8.44891419 -4.67969605
0.00050659 -0.00047701 -0.00117959
-0.02501736 -0.00806814 -0.04733719
12.03235683 -20.01219397 -26.29256053
-0.00026520 0.00057248 0.00041024
0.02290307 -0.00611777 -0.00176363
13.79826484 -20.32496442 -24.02791262
0.00047266 -0.00092176 -0.00011881
0.00164643 0.00211579 -0.01738090
5.95489923 4.82615224 2.09679313
0.00040959 -0.00060947 -0.00093079
-0.00057027 0.02623443 0.02768904
6.49361892 7.21433519 0.85569162
0.00053595 0.00007091 -0.00002593
0.00510446 0.02166262 -0.01333076
20.45612426 -6.42520710 -5.72702454
-0.00043182 0.00013798 0.00000076
-0.02911883 0.00918667 -0.01318522
17.72401485 -5.23035337 -5.55086774
-0.00057648 0.00056377 -0.00012084
-0.02529334 0.01413043 0.02147256
-2.28237778 0.41756210 -1.06738416
0.00099736 -0.00001843 -0.00022834
-0.02508230 0.01038293 0.02613021
-2.35994757 0.97595159 -4.05089917
0.00114867 0.00004051 0.00026131
0.01307706 0.00137431 0.01402187
3.58712644 -3.12048575 -12.21188870
-0.00037491 0.00111832 -0.00006817
0.01514278 -0.00716579 -0.00062971
0.71625270 -2.83307807 -11.54531674
-0.00034436 -0.00082997 0.00034569
0.02100228 0.02470801 -0.00306059
19.08657812 8.37128510 -6.63367483
-0.00030268 -0.00018424 -0.00038447
0.02992711 0.01881271 0.02207456
21.64351467 8.55590200 -4.96966224
0.00007380 -0.00083571 -0.00046273
0.01332306 -0.01135994 0.00333027
-7.21861771 4.60633447 9.09626420
0.00065869 -0.00008318 0.00078647
-0.00085138 -0.00230913 0.00358294
-7.91093908 6.31711875 11.33579032
-0.00115301 0.00018335 0.00122420
-0.00059949 0.00052077 -0.00780050
-3.15646245 -16.23158417 10.98600798
0.00058408 -0.00026956 -0.00118272
0.01571842 -0.00638488 0.00062017
-4.22434716 -13.79250339 11.45283450
-0.00003209 0.00008477 -0.00068113
0.01649090 0.00378359 -0.00112420
8.63249018 0.58853194 -3.12823291
0.00046744 0.00009964 0.00037376
-0.01168016 -0.00563575 -0.03294155
7.85848007 1.71034264 -5.82617300
-0.00006970 -0.00023888 -0.00065283
-0.00757661 0.04489777 -0.01530655
0.82327177 -10.84909044 1.74753798
-0.00115353 -0.00075439 0.00072854
0.00109594 -0.00148445 0.00408925
0.03545378 -8.45990443 0.22306055
-0.00019651 -0.00063699 -0.00078474
0.00224566 -0.00536547 -0.00600415
-20.24832535 -1.49682157 6.63382955
-0.00017298 -0.00014624 -0.00053360
0.00255995 0.00692723 -0.00169539
-21.28930716 0.19994927 4.48848560
-0.00041061 0.00026776 0.00001934
-0.03048526 0.04141232 -0.00821089
-3.81146734 8.30796947 -25.22899138
0.00010067 0.00023232 0.00139102
0.01372952 0.02210468 0.00481764
-4.56013051 8.77239684 -22.25463208
0.00019215 -0.00016687 0.00026350
0.00970617 0.02547300 0.01129802
4.29628967 1.40820023 -0.89233721
0.00098472 0.00093831 -0.00013202
-0.03338288 0.00091073 -0.00961335
1.25540301 1.06128511 -1.56089561
-0.00036282 -0.00012211 0.00043157
-0.00048201 -0.01210867 -0.01176621
15.67304686 7.71820739 6.33478306
-0.00042357 0.00024394 0.00065844
0.00198878 -0.00673133 0.00587853
15.94304803 9.08899246 3.82112726
0.00007902 0.00008053 -0.00063562
-0.01567760 -0.04351372 0.01066529
-0.28010959 -11.82149941 -13.17177758
0.00019233 -0.00000709 0.00022049
0.01002929 0.00046437 -0.00096445
-13.94770631 14.43189190 22.25313356
-0.00001715 -0.00013417 0.00016193
0.00181648 -0.00028456 0.00255464
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03029111
0.28604074
381.13494282
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1367874527
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2759208230 (a.u.)
total exchange computation time: 2.7281661034 s
-153.9651864993
-931.31751866
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1367874527
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.2763648986 (a.u.)
total exchange computation time: 2.7261359692 s
-153.9632124330
Anderson extrapolation: theta=1.3541276495 (1.3541276495)
-931.31777255
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1367874527
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2769339814 (a.u.)
total exchange computation time: 2.6842269897 s
-153.9608582584
Anderson extrapolation: theta=0.0530927240 (0.0530927240)
-931.31792702
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1367874527
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.2769302780 (a.u.)
total exchange computation time: 2.6821970940 s
-153.9610729488
Anderson extrapolation: theta=2.0071704043 (2.0000000000)
-931.31793332
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1367874527
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.2769043847 (a.u.)
total exchange computation time: 2.6811370850 s
-153.9615787756
Anderson extrapolation: theta=0.2383530209 (0.2383530209)
-931.31794048
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1367874527
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.2768905375 (a.u.)
total exchange computation time: 2.6820750237 s
-153.9616864075
Anderson extrapolation: theta=1.8824057241 (1.8824057241)
-931.31794198
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1367874527
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.2768730978 (a.u.)
total exchange computation time: 2.6820108891 s
-153.9617503545
Anderson extrapolation: theta=0.2933129032 (0.2933129032)
-931.31794388
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1367874527
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2768771300 (a.u.)
total exchange computation time: 2.6845159531 s
-153.9616410169
Anderson extrapolation: theta=1.2656686159 (1.2656686159)
-931.31794436
-164.473405 49.888025 -203.877554
-132.661172 460.743934 -801.532617
-297.134578 510.631959 -1005.410172
1166.140458
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1367874527
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.2768883463 (a.u.)
total exchange computation time: 2.6803879738 s
677.41881283
-1080.80332179
90.00437610
-391.07651689
-174.58440664
76.73036702
551.60419304
0.00000000
-931.31794473
-10.88109900 -4.31324261 6.67464230
0.00010865 -0.00015897 -0.00000167
-0.01764607 0.00249865 -0.03941854
-13.90325432 3.69987047 9.24536059
0.00017573 0.00027331 -0.00016669
0.00910168 0.00255916 -0.01292703
-15.94632198 1.47117385 3.42674897
0.00001148 0.00028920 -0.00019241
-0.01644892 -0.00330313 -0.03155578
2.65259773 -19.84853103 12.81019662
0.00021505 0.00006807 0.00006478
0.00825659 0.05392161 0.05247184
9.56958477 20.36896382 1.28815199
0.00002455 0.00002398 0.00028939
0.03493056 -0.02019484 -0.02631240
-12.12150032 12.55195526 15.20289265
-0.00008624 0.00003450 0.00001099
0.01514540 0.01528287 0.02201877
-6.17652813 1.39278256 -12.48572778
0.00010373 -0.00019513 -0.00016477
-0.00113732 0.03688548 -0.02768474
-7.44742081 7.73062220 -6.07488953
-0.00014988 -0.00011330 -0.00032227
-0.01127385 -0.02004932 0.01154595
-7.77681390 -4.36421755 17.80519046
-0.00006027 -0.00005821 0.00001091
-0.00639488 -0.00330910 0.03323435
-23.60955713 -5.21953938 -22.72245987
-0.00022098 -0.00033479 -0.00033123
-0.00021496 -0.01989960 0.01532804
6.60000227 12.75847432 6.02423102
0.00001076 0.00002873 -0.00025345
0.01766150 0.00069547 -0.01730255
24.80306659 30.55500671 -3.02005927
0.00012694 0.00024531 -0.00021047
-0.01323951 0.02396919 0.01860242
7.92633224 -0.95242698 -14.51689849
0.00004905 0.00018286 0.00021164
0.01095883 -0.01223918 -0.02190855
-7.40359389 -0.86961111 14.22924149
-0.00034870 0.00006622 -0.00039195
-0.04257175 -0.02253876 0.00768757
-1.70064350 -26.18265588 11.22409115
0.00011311 0.00004456 -0.00014420
-0.01431999 -0.00059562 -0.01946372
-14.00866625 -4.42813917 -6.97869719
0.00012287 0.00006237 0.00003352
-0.00692047 -0.00715872 0.00542410
-19.98048158 -12.67909915 -17.66435524
0.00022844 -0.00001007 0.00018168
0.02148419 0.06012642 0.02169483
22.79687051 3.51183705 3.02073853
0.00017150 0.00005758 0.00013437
-0.00507918 0.02709585 0.02228966
17.63399957 -10.39371927 -14.39325792
-0.00022337 -0.00038023 -0.00009682
-0.02944288 0.00605411 0.02259366
-1.93338855 1.75197955 -7.03506592
0.00007401 -0.00018331 -0.00002857
-0.01076714 -0.00857927 -0.00348850
-4.35002672 -2.99209251 -15.65032261
-0.00028730 0.00005066 -0.00008379
-0.00920436 -0.01383307 -0.01261187
13.41249773 17.33398156 -19.88492433
-0.00000376 0.00012765 0.00026268
-0.00863348 0.02252798 -0.01135142
-15.93829112 16.15092277 -12.06747105
0.00049647 0.00023809 0.00030882
-0.02238962 -0.01721022 0.00776561
2.08444450 14.67058092 7.58564577
0.00049109 0.00022593 0.00003919
-0.02124750 0.00029179 -0.00593371
-5.36725107 -9.72890573 2.29609927
-0.00008075 -0.00009048 0.00015986
-0.01230342 0.02575730 -0.01040687
3.05053451 -6.56929672 2.70653797
-0.00013478 -0.00004110 0.00027634
-0.00017683 0.08985437 -0.00153159
10.84524280 5.02181085 4.41595782
-0.00013861 0.00030471 -0.00000224
-0.04176491 0.01819207 -0.00936602
-8.53574060 -9.54587876 -2.99944560
0.00003329 0.00020033 -0.00044940
-0.00229049 -0.02184765 0.04135202
3.19840907 -15.94003337 -13.12271451
0.00011940 0.00012167 0.00005530
-0.02448100 0.00962797 0.02417249
4.76357246 -8.30199519 -5.34038821
-0.00009887 0.00037338 0.00028533
-0.00423693 0.00346231 -0.00379462
18.54036167 1.00734367 24.61303334
-0.00007061 0.00017406 -0.00022473
-0.00938924 0.02219306 -0.00183600
-8.59975344 3.10981726 1.19581350
-0.00023672 0.00007938 0.00008287
0.02988455 0.00578427 -0.01536391
-7.56823994 14.21495095 -10.32601474
0.00039768 -0.00008324 0.00037077
-0.03865155 -0.02210471 0.01114448
1.69753126 11.46017972 -8.99093564
0.00002837 0.00021518 0.00020556
0.02102210 0.01432840 0.03948609
-11.62742594 10.18149468 -13.90838643
0.00015722 0.00026750 -0.00010256
-0.00513646 -0.02628484 0.04836891
6.82558896 4.49151215 14.72391035
-0.00028268 0.00036474 -0.00008885
0.02524220 0.03485677 -0.01839415
-14.89379793 9.10253884 -8.98052146
-0.00020839 -0.00020872 0.00020543
-0.00256054 0.02540097 -0.02537457
8.47227608 8.20178048 -3.10629932
-0.00003730 0.00006437 0.00009914
0.01826308 0.00306391 0.02684222
13.80773697 -20.46897416 -25.93187618
0.00010655 -0.00005063 -0.00017028
-0.02823629 0.01074430 0.02421332
6.15981265 6.70589613 2.55310009
-0.00022202 0.00028717 -0.00018253
0.00122442 -0.05502345 -0.01925621
18.95631882 -5.80574850 -6.70176349
-0.00026930 -0.00013976 -0.00016907
0.04803322 -0.02366834 -0.00223330
-1.68863910 -0.09664922 -2.65190578
-0.00006413 -0.00024874 0.00014704
0.01664286 -0.01836439 -0.02088385
2.36547717 -1.79963805 -12.05827728
0.00020609 0.00003865 0.00016772
-0.03645949 -0.01426584 -0.00273655
20.06150993 9.38308367 -5.33871654
-0.00067834 0.00014918 -0.00017488
-0.02552857 -0.01312981 -0.03285315
-7.61541561 6.37336656 9.51730664
-0.00023996 -0.00016897 0.00000751
-0.00482678 0.00037479 0.02172807
-2.53175607 -14.56587307 11.43360212
0.00004516 0.00003068 -0.00004186
-0.03705856 -0.00507628 0.00335469
8.11453029 0.22226783 -4.90458716
-0.00000966 -0.00029953 0.00014863
0.01463927 -0.03397456 0.05294070
-0.14800447 -10.29384718 0.28886921
-0.00014379 -0.00027829 -0.00021950
-0.00504848 -0.00685030 0.00539483
-20.25464054 -1.16809660 4.79474975
-0.00016974 0.00022698 0.00013935
0.03240635 -0.04837270 0.00601505
-4.54984627 7.71607865 -23.66611046
0.00005900 0.00007661 -0.00023947
-0.03073565 -0.05005596 0.00873372
2.60817823 2.18737526 -1.06596829
0.00026216 -0.00032003 0.00025586
0.04548783 0.01280862 0.00386685
15.49071513 7.33854052 4.54926161
-0.00007753 -0.00019546 -0.00025898
0.01363847 0.05730806 -0.01356051
-9.82820093 -4.57896631 8.05831668
-0.00094076 0.00034617 0.00073332
0.02406848 -0.00443336 0.02543628
-9.87381023 -4.31512631 5.06106151
0.00119449 -0.00157621 0.00034515
-0.00360031 -0.00580107 0.02257900
-12.65155146 4.70499720 8.29046603
0.00048776 -0.00065698 -0.00074035
-0.01374783 -0.01743949 0.00910519
-13.86876239 1.92035410 8.54112565
0.00001518 0.00056674 -0.00002819
0.00560512 0.01715606 0.01038398
-15.49722306 2.21115111 4.97982974
0.00010306 0.00075573 0.00075824
0.00914456 0.00588087 0.02561784
-17.51153594 0.50235579 3.81113953
-0.00107321 0.00025219 -0.00032986
0.00738231 0.00144372 0.00290232
3.08929718 -21.35543305 11.97760289
-0.00030840 -0.00063460 0.00066591
0.00936417 -0.03311746 -0.01351697
3.92077519 -19.28928903 14.17872872
0.00061420 0.00091777 -0.00087327
-0.02404716 -0.01546382 -0.03783484
8.84063062 18.68921991 1.08314504
-0.00045103 0.00018746 -0.00005661
-0.01541766 0.01252475 0.00398573
8.64228966 21.66898265 2.10673450
-0.00033460 -0.00058543 0.00058450
-0.02541957 0.00504966 0.01562177
-11.33297620 11.78810150 16.71810843
-0.00019811 0.00044205 0.00117334
-0.00111873 0.01116502 -0.01467494
-12.59088817 14.26697016 15.82281984
-0.00009788 0.00004869 -0.00001821
0.00028709 -0.01509372 -0.01204330
-5.14315217 0.20007827 -13.30294927
0.00032942 -0.00008106 -0.00059312
0.01046871 -0.01491480 -0.01299766
-6.61198198 0.63967454 -10.94708292
0.00033357 0.00075386 -0.00097359
-0.01357157 -0.01687358 0.04245319
-6.93554922 6.25698067 -5.03480384
-0.00019911 -0.00054120 0.00014324
-0.00561802 0.01586433 -0.01252990
-9.11811159 8.09945486 -5.36611462
0.00031773 0.00019406 0.00006750
0.01284537 -0.00202311 -0.00563629
-7.97754529 -2.99483826 19.10781163
0.00081763 0.00000149 -0.00000110
0.00196786 -0.03146011 -0.02269659
-8.28670506 -6.03492933 18.53997851
-0.00107232 -0.00002589 0.00054738
0.00837900 0.02692064 -0.00496657
-23.61580034 -3.60671663 -23.52850925
-0.00064410 -0.00061892 0.00049252
-0.00002730 0.01753888 -0.00550821
-23.00572860 -5.01380082 -20.99894568
0.00004057 0.00057087 -0.00027400
-0.00291998 0.00761838 -0.01140984
7.13810769 13.23781437 4.32179562
0.00035769 0.00007006 0.00043382
-0.01113138 0.00535606 -0.00032076
8.19141160 11.97534577 6.51057747
0.00057057 -0.00031990 0.00078872
-0.00042241 -0.00762134 0.01309288
24.93715136 28.90594425 -2.31658060
0.00015271 -0.00043630 -0.00001913
0.00068841 -0.01617901 0.00091174
24.10260619 31.59021571 -1.59843761
-0.00010979 0.00011327 -0.00000509
0.00508951 -0.00849936 -0.02326467
9.14239648 -1.98308003 -15.56206058
-0.00044073 0.00102641 -0.00115131
-0.00655525 0.01499301 0.01349337
7.84429577 -2.09472308 -13.13601275
-0.00088977 -0.00056594 -0.00155290
-0.00761325 -0.00530820 0.01755313
-7.72144003 -0.08341390 15.87011489
0.00071803 0.00122408 0.00032806
0.01656528 0.01318740 -0.00265657
-8.86183934 -2.07771260 14.46864360
0.00009359 -0.00042849 -0.00003987
0.03170888 0.01135639 -0.01802173
-2.31996131 -26.76017643 12.90509642
0.00104294 -0.00014434 -0.00037121
-0.00624608 0.00186613 -0.00788541
-3.06904024 -25.91649831 9.95897069
0.00029384 -0.00008335 -0.00060469
0.01585865 -0.00536059 0.01903688
-14.74612257 -2.86018479 -6.29917805
0.00004773 0.00044771 -0.00024139
0.01173210 -0.00435534 -0.00544815
-14.53611262 -4.69679984 -8.70099233
0.00052693 0.00011540 -0.00010297
-0.00330809 0.00475554 -0.00769835
-19.35462683 -10.96793095 -16.90762486
-0.00079544 0.00046932 0.00015822
-0.01943658 -0.04290295 -0.01612727
-18.28649585 -13.30487374 -18.01214960
-0.00018273 -0.00049539 0.00024904
-0.00374616 -0.01254457 -0.00627687
24.12734105 3.71108382 1.82213102
-0.00016333 -0.00010683 -0.00011539
0.00582180 -0.01707793 -0.02534408
22.95208880 5.14457844 3.82073063
-0.00044086 -0.00028371 0.00037808
-0.01129576 0.00004331 0.01383631
16.26322942 -9.94558614 -13.04463810
0.00006389 0.00054872 0.00025069
0.02994883 -0.00163266 -0.04132452
17.02165519 -10.12945046 -16.13711471
0.00006661 0.00007987 0.00043320
-0.00078004 0.00634225 0.02092542
-0.28709813 1.95721865 -7.88620468
0.00098483 -0.00084082 0.00025492
0.00102536 -0.00287227 0.00129888
-2.28741417 -0.05901580 -6.96006752
0.00007783 0.00013315 -0.00000069
0.00352763 0.01160254 -0.01639843
-5.33218409 -4.15935968 -16.74350594
0.00100505 -0.00062064 0.00022791
0.01293720 0.01942530 0.01437970
-3.98224496 -1.52685165 -16.69965373
-0.00102519 0.00019291 -0.00063352
-0.00040977 -0.00443859 -0.00601794
12.41007503 18.87722182 -20.40559679
-0.00006726 0.00039820 0.00052813
0.01843501 -0.00336135 0.00374197
12.03329278 16.19008253 -20.18648440
0.00099655 -0.00037638 -0.00012779
-0.00258836 -0.02024101 -0.00175803
-15.37933793 15.70812894 -13.74875085
0.00042516 -0.00026899 -0.00135569
0.01093335 0.00006507 -0.00663946
-17.43782701 14.99274653 -12.09124258
0.00050670 -0.00015155 0.00021928
0.01635492 0.02176794 0.00468213
2.32307362 15.07879094 5.81016348
-0.00052093 -0.00009247 0.00010113
0.02196050 -0.01035250 -0.00975931
0.71994358 15.84309652 7.80237603
-0.00066702 0.00067151 -0.00059153
-0.01283663 0.00196073 0.02157493
-5.83521391 -8.07807012 1.41392347
0.00066929 -0.00055780 0.00126014
0.01545713 -0.03708768 0.02050904
-3.63463528 -10.15780470 1.84432615
-0.00004838 -0.00088020 0.00015164
0.00511513 0.01167791 -0.00871193
2.98411749 -4.52506878 2.93599801
0.00139174 -0.00060768 0.00003146
-0.00200190 -0.07034055 -0.00313059
4.53137160 -6.69324075 1.59135321
0.00043119 -0.00051886 0.00051362
-0.00033139 -0.00878441 0.00427868
9.29377722 5.84201928 3.62193764
0.00022508 0.00049305 -0.00112890
0.02386045 -0.00920884 0.01851170
12.03532586 6.37754655 4.71090441
0.00008911 0.00029923 -0.00002221
0.00701905 0.00582868 0.00169772
-7.31303973 -10.91070475 -2.53821341
-0.00080904 0.00097693 -0.00020919
-0.01264189 0.01811215 -0.01263175
-9.55286904 -9.41433448 -1.40427131
0.00056937 -0.00063390 0.00003320
0.00991323 0.00032786 -0.02652998
4.38675169 -16.11610823 -14.41666978
-0.00014130 0.00144761 -0.00125534
0.02292706 -0.00602750 -0.01504873
3.66090678 -17.12049603 -11.77845038
-0.00057839 -0.00127510 0.00128064
-0.00642909 0.00051029 -0.00841713
5.65734481 -6.86756871 -6.13325998
-0.00052171 -0.00063015 0.00012608
-0.00238022 -0.00739233 0.01873412
4.94653715 -8.22963386 -3.50497011
-0.00004833 -0.00018905 0.00128865
0.00428145 0.00484907 -0.01429512
16.95722153 1.95264597 24.73949583
0.00013726 0.00053505 0.00011790
-0.00709763 -0.01887927 0.00023327
19.63964818 2.47496644 24.34221576
-0.00010391 0.00005914 -0.00023819
0.01300452 -0.01101181 0.00969063
-9.82395751 4.01806599 2.31177482
-0.00008352 -0.00012483 -0.00027711
0.00072729 -0.01036406 0.00210207
-7.22397996 4.33467841 0.95763273
0.00046014 -0.00106002 -0.00008413
-0.01587222 -0.00469987 -0.00205259
-6.27361470 14.13802758 -9.05255600
-0.00020198 -0.00009316 -0.00018024
0.00261348 0.00454523 0.00615679
-9.17716929 13.58550514 -9.43509622
0.00035315 -0.00028681 -0.00001739
0.03805356 0.01442904 -0.01822171
0.51470058 10.80491398 -7.74106364
0.00019407 -0.00068006 -0.00004280
-0.00795291 -0.00417054 -0.01176350
2.88223372 12.20870034 -7.65377122
0.00068777 -0.00071251 -0.00092013
-0.01262656 -0.00540907 -0.02816186
-10.08119327 9.10463495 -13.70089163
0.00054529 -0.00014644 0.00044753
-0.02479435 0.01373766 -0.00210185
-12.68261417 9.77300402 -12.30252723
0.00024220 -0.00058545 -0.00030043
0.02896484 0.00730547 -0.04312838
7.27742646 6.36875213 14.49281330
-0.00074995 0.00004808 -0.00051176
-0.02050644 -0.01751924 0.02041916
7.36266407 4.34494184 12.96386861
0.00032657 -0.00115554 0.00003751
-0.00139527 -0.02863995 -0.00917947
-13.68030144 10.49757645 -8.49731970
-0.00055454 -0.00046837 0.00017657
-0.02102086 -0.00507680 0.00144123
-16.33194261 9.85770615 -9.96663490
-0.00033737 -0.00045085 0.00030303
0.02076145 -0.01645030 0.02387588
8.15475770 9.88846900 -2.52414608
-0.00027584 -0.00075285 -0.00033060
0.00273983 0.00957741 0.01747232
7.76274544 8.44151175 -4.69884051
0.00041312 -0.00051185 -0.00135469
-0.02073249 -0.00898647 -0.03837467
12.02908072 -20.00379419 -26.28646091
-0.00016704 0.00054598 0.00040357
0.02514229 -0.00685627 -0.00150542
13.80540523 -20.33872592 -24.03022744
0.00047916 -0.00091267 -0.00018993
0.00153282 0.00233056 -0.01743248
5.96102561 4.81781404 2.08367977
0.00040733 -0.00049465 -0.00081446
-0.00053748 0.02997425 0.02925387
6.50181456 7.21606262 0.85489420
0.00055651 0.00016028 -0.00008092
0.00496215 0.02208642 -0.01358898
20.44875469 -6.42285583 -5.72741715
-0.00054897 0.00017449 -0.00005175
-0.02822651 0.00868472 -0.01251714
17.71459262 -5.22146386 -5.55202241
-0.00067354 0.00061839 -0.00003921
-0.02221758 0.01260982 0.01848744
-2.26818600 0.41760377 -1.07000856
0.00089115 0.00002764 -0.00011258
-0.02690969 0.01216923 0.03053470
-2.34231673 0.97660142 -4.04654979
0.00119955 0.00004888 0.00031481
0.01182596 0.00271844 0.01216518
3.58196687 -3.10393050 -12.21293056
-0.00029970 0.00107505 -0.00007231
0.02167000 -0.01401810 -0.00139604
0.71173087 -2.84477044 -11.54022524
-0.00025518 -0.00072608 0.00033178
0.02265383 0.02614437 -0.00374806
19.08295492 8.36909802 -6.63876547
-0.00018178 -0.00010645 -0.00029344
0.02925536 0.01926331 0.02248619
21.64502995 8.54301819 -4.97650122
0.00011387 -0.00087320 -0.00045161
0.00629288 -0.00698978 0.00211497
-7.20876344 4.60501595 9.10817105
0.00065495 -0.00009397 0.00080063
-0.00097890 -0.00297324 0.00334828
-7.92825261 6.31988500 11.35391429
-0.00115170 0.00018580 0.00117391
0.00123900 0.00067535 -0.01681712
-3.14721961 -16.23582320 10.96828624
0.00064924 -0.00028950 -0.00117804
0.01618090 -0.00337835 0.00166903
-4.22432324 -13.79111591 11.44258318
0.00003587 0.00009859 -0.00068540
0.01677817 0.00297994 -0.00096763
8.63914389 0.58985384 -3.12363601
0.00041817 0.00007597 0.00023475
-0.01243660 -0.00595034 -0.03510228
7.85720240 1.70813522 -5.83643452
-0.00009884 -0.00006414 -0.00070907
-0.00668577 0.04064124 -0.01222096
0.80600240 -10.86045184 1.75859145
-0.00115081 -0.00075759 0.00074044
0.00023494 -0.00008115 0.00173600
0.03257496 -8.46962376 0.21110550
-0.00018638 -0.00065381 -0.00080809
0.00271117 -0.00286331 -0.00542639
-20.25084158 -1.49880286 6.62577358
-0.00016267 -0.00011853 -0.00053314
0.00248603 0.00663726 0.00192069
-21.29640047 0.20523466 4.48852402
-0.00053169 0.00043230 -0.00001263
-0.02878306 0.03913331 -0.00743803
-3.80953659 8.31213159 -25.20797841
0.00016420 0.00032830 0.00139310
0.01736737 0.02487862 -0.00380291
-4.55695077 8.77067439 -22.25033343
0.00023158 -0.00006727 0.00030510
0.00959217 0.02328195 0.00906861
4.31003746 1.42230280 -0.89461208
0.00084638 0.00093991 -0.00017167
-0.03433225 -0.00012978 -0.00979777
1.24994600 1.05908234 -1.55478268
-0.00035955 -0.00017041 0.00038416
0.00207992 -0.01153186 -0.01143790
15.66675427 7.72166024 6.34483984
-0.00041660 0.00021419 0.00066832
0.00142053 -0.00782991 -0.00104207
15.94375289 9.08886699 3.81191976
0.00001402 -0.00010003 -0.00058953
-0.01614167 -0.04486937 0.01189459
-0.27719768 -11.82160445 -13.16847286
0.00019593 -0.00000692 0.00022015
0.01007731 0.00045827 -0.00092338
-13.94796045 14.42987891 22.25556702
-0.00001674 -0.00013423 0.00016253
0.00173617 -0.00022562 0.00254171
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03046085
0.28748388
383.05785825
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1362249865
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.2689146693 (a.u.)
total exchange computation time: 2.7180180550 s
-153.9379007559
-931.32030571
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1362249865
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.2694740098 (a.u.)
total exchange computation time: 2.7163670063 s
-153.9350341787
Anderson extrapolation: theta=1.3938173879 (1.3938173879)
-931.32057048
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1362249865
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.2702134624 (a.u.)
total exchange computation time: 2.7157142162 s
-153.9314310832
Anderson extrapolation: theta=0.0695713476 (0.0695713476)
-931.32074359
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1362249865
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2702210437 (a.u.)
total exchange computation time: 2.7171900272 s
-153.9316047590
Anderson extrapolation: theta=2.4503737390 (2.0000000000)
-931.32075487
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1362249865
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2702092481 (a.u.)
total exchange computation time: 2.7169551849 s
-153.9320887129
Anderson extrapolation: theta=0.5019536347 (0.5019536347)
-931.32077116
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1362249865
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.2701933997 (a.u.)
total exchange computation time: 2.7164440155 s
-153.9323065697
Anderson extrapolation: theta=0.9093710307 (0.9093710307)
-931.32077686
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1362249865
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2701831889 (a.u.)
total exchange computation time: 2.7155611515 s
-153.9323750565
Anderson extrapolation: theta=0.6262353290 (0.6262353290)
-931.32078069
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1362249865
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2701856184 (a.u.)
total exchange computation time: 2.7158451080 s
-153.9322778526
Anderson extrapolation: theta=0.6495118321 (0.6495118321)
-931.32078234
-164.478379 49.810345 -203.843632
-132.630780 460.731912 -801.575131
-297.109160 510.542256 -1005.418763
1166.102113
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1362249865
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.2701948202 (a.u.)
total exchange computation time: 2.7261338234 s
677.31496472
-1080.57325442
90.00717773
-391.23359035
-174.56588589
76.60220613
551.60419304
0.00000000
-931.32078303
-10.87953732 -4.31561745 6.67446523
0.00009980 -0.00015779 -0.00002231
-0.01678652 0.00208701 -0.04083414
-13.90058326 3.70397996 9.24281043
0.00018050 0.00027484 -0.00017330
0.00944178 0.00338890 -0.01277453
-15.94621326 1.47549915 3.42374117
0.00000261 0.00028789 -0.00020637
-0.01803470 -0.00180219 -0.02273085
2.65585540 -19.84730196 12.81137071
0.00021926 0.00009539 0.00009111
0.00808251 0.05232920 0.04991271
9.57008779 20.36924568 1.29239131
0.00004237 0.00001338 0.00027582
0.03436680 -0.02103147 -0.02643327
-12.12273553 12.55253168 15.20314250
-0.00007799 0.00004191 0.00002335
0.01693345 0.01353106 0.02601977
-6.17497661 1.38999791 -12.48830617
0.00010420 -0.00017538 -0.00018171
0.00297737 0.03991389 -0.03816363
-7.44971255 7.72884538 -6.07967906
-0.00015512 -0.00012443 -0.00031595
-0.00907461 -0.02324401 0.01303240
-7.77774256 -4.36510352 17.80548232
-0.00006368 -0.00006055 0.00002820
-0.00688241 -0.00578830 0.03401516
-23.61287260 -5.22463796 -22.72736925
-0.00022087 -0.00034581 -0.00032226
0.00064042 -0.02297301 0.01956882
6.60023184 12.75890800 6.02036247
0.00002097 0.00002821 -0.00026085
0.02203439 -0.00274611 -0.01147762
24.80491959 30.55877885 -3.02314454
0.00012017 0.00025623 -0.00020021
-0.01308294 0.01847470 0.02128881
7.92711020 -0.94973134 -14.51380843
0.00005480 0.00017777 0.00019878
0.01143528 -0.00755630 -0.02809703
-7.40898854 -0.86870482 14.22339191
-0.00037050 0.00005543 -0.00038665
-0.04221248 -0.01940901 0.01290115
-1.69900208 -26.18198984 11.22185300
0.00010617 0.00004451 -0.00015505
-0.01265605 0.00043224 -0.02271795
-14.00684985 -4.42723123 -6.97817346
0.00011916 0.00005907 0.00003638
-0.00751217 -0.00566264 0.00568302
-19.97697204 -12.67901831 -17.66154634
0.00023869 0.00002099 0.00019290
0.01837289 0.06067586 0.02194204
22.79942348 3.51280532 3.02284011
0.00016857 0.00007097 0.00014574
-0.00632829 0.02496141 0.02190597
17.63053541 -10.39939937 -14.39462301
-0.00023827 -0.00037708 -0.00008416
-0.02849357 0.00618781 0.02660879
-1.93231997 1.74919684 -7.03550791
0.00006962 -0.00018712 -0.00003079
-0.00631581 -0.00626256 -0.00516298
-4.35437172 -2.99138601 -15.65162811
-0.00029141 0.00004443 -0.00009016
-0.00678360 -0.01039456 -0.01216327
13.41240809 17.33598318 -19.88102789
-0.00000758 0.00013976 0.00025693
-0.00623998 0.02458104 -0.01101083
-15.93093038 16.15442769 -12.06280884
0.00048571 0.00022832 0.00030994
-0.01945351 -0.02075442 -0.00340299
2.09172893 14.67397106 7.58621078
0.00047826 0.00022741 0.00003679
-0.02864829 0.00545610 -0.00339610
-5.36850980 -9.73016362 2.29845701
-0.00008626 -0.00007873 0.00015520
-0.00913890 0.01995072 -0.00769845
3.04851215 -6.56956658 2.71067714
-0.00013407 0.00000464 0.00027504
0.00292850 0.08800887 -0.00353087
10.84300257 5.02645173 4.41588803
-0.00016010 0.00031441 -0.00000723
-0.04180185 0.01949934 -0.01000520
-8.53525011 -9.54295816 -3.00602702
0.00003096 0.00019008 -0.00042810
-0.00676738 -0.01799987 0.04144441
3.20010564 -15.93817117 -13.12179171
0.00010807 0.00012509 0.00006849
-0.01958904 0.00367749 0.02709847
4.76207313 -8.29638116 -5.33612285
-0.00010176 0.00037379 0.00028565
-0.00702927 -0.00184575 0.00502374
18.53926630 1.01004019 24.60965525
-0.00007562 0.00018540 -0.00022561
-0.01008228 0.02191200 -0.00158419
-8.60318892 3.11103028 1.19699726
-0.00022123 0.00008156 0.00007455
0.03035191 0.00268526 -0.01697228
-7.56242387 14.21361710 -10.32041024
0.00037677 -0.00009454 0.00037519
-0.04267045 -0.02182247 0.00606145
1.69803784 11.46346270 -8.98769988
0.00003859 0.00022192 0.00022511
0.01871647 0.01188085 0.03651687
-11.62508738 10.18540579 -13.90973822
0.00015536 0.00025335 -0.00007751
-0.00209938 -0.02874784 0.04903632
6.82144607 4.49711770 14.72250669
-0.00026977 0.00038180 -0.00009861
0.02499313 0.03146703 -0.01958729
-14.89693361 9.09950601 -8.97753796
-0.00020998 -0.00019610 0.00019234
-0.00365057 0.02366628 -0.02549975
8.47178710 8.20275790 -3.10470864
-0.00002866 0.00006454 0.00010991
0.01531465 -0.00242219 0.01503077
13.80922628 -20.46969213 -25.93433705
0.00009177 -0.00004504 -0.00015791
-0.02922898 0.01099397 0.02389370
6.15648708 6.70999139 2.55028784
-0.00022132 0.00025803 -0.00019284
0.00147931 -0.05826909 -0.02084718
18.95246461 -5.80793621 -6.70430811
-0.00024595 -0.00015126 -0.00016960
0.04276216 -0.02103461 0.00014448
-1.68953679 -0.10045121 -2.64978078
-0.00005494 -0.00025885 0.00013597
0.01907993 -0.02092154 -0.02213436
2.36842794 -1.79911333 -12.05577207
0.00018530 0.00003270 0.00016677
-0.04439074 -0.00888793 -0.00095452
20.05123639 9.38527078 -5.34146652
-0.00068933 0.00014137 -0.00019138
-0.01721235 -0.01725141 -0.03128851
-7.61903364 6.37083340 9.51750318
-0.00024284 -0.00016863 0.00002077
-0.00636888 0.00094435 0.02983590
-2.53122156 -14.56543240 11.43298722
0.00002602 0.00002747 -0.00004044
-0.03740083 -0.00743381 0.00216571
8.11444184 0.21764387 -4.90215353
-0.00000227 -0.00031543 0.00017515
0.01410534 -0.02785763 0.05020400
-0.15018077 -10.29804789 0.28559753
-0.00014626 -0.00028288 -0.00021617
-0.00455548 -0.01102505 0.00754801
-20.25706167 -1.16487856 4.79686317
-0.00015379 0.00020327 0.00014115
0.02963161 -0.04379524 0.00099954
-4.54907987 7.71703479 -23.66966880
0.00004217 0.00005071 -0.00023207
-0.03469273 -0.05067880 0.02004119
2.61228611 2.18262415 -1.06211554
0.00028486 -0.00031336 0.00025773
0.04278460 0.01315110 0.00343027
15.48960478 7.33582970 4.54532454
-0.00007032 -0.00016556 -0.00026445
0.01440020 0.05895058 -0.00768179
-9.84157481 -4.57390955 8.07009591
-0.00084254 0.00032817 0.00083831
0.02401260 -0.00438162 0.02595931
-9.85600324 -4.33894724 5.06693068
0.00117747 -0.00159871 0.00043886
-0.00473106 -0.00521087 0.02329234
-12.64465632 4.69460814 8.27963982
0.00043187 -0.00072620 -0.00070289
-0.01361040 -0.01644781 0.00923003
-13.86836297 1.92938097 8.54102104
0.00003732 0.00063291 0.00001414
0.00523610 0.01523392 0.01033557
-15.49539690 2.22266724 4.99198836
0.00013450 0.00077124 0.00084562
0.00624340 0.00171345 0.01715462
-17.52740787 0.50618286 3.80628063
-0.00103428 0.00026339 -0.00031888
0.01167251 0.00403755 0.00246854
3.08495812 -21.36596682 11.98717727
-0.00027122 -0.00076630 0.00061229
0.00883520 -0.03135462 -0.01272779
3.92925132 -19.27599636 14.16447030
0.00051744 0.00085445 -0.00102428
-0.02331919 -0.01553176 -0.03608412
8.83339277 18.69241568 1.08241805
-0.00051220 0.00023882 -0.00004047
-0.01452486 0.01261345 0.00391569
8.63649168 21.66035600 2.11598065
-0.00043848 -0.00056304 0.00064850
-0.02542762 0.00590893 0.01571082
-11.33598209 11.79507439 16.73525888
-0.00020595 0.00049015 0.00110547
-0.00272204 0.01237968 -0.01855047
-12.59234761 14.26723796 15.82217769
-0.00009728 -0.00001199 -0.00006797
0.00000983 -0.01460882 -0.01231517
-5.13789007 0.19840535 -13.31224443
0.00036840 -0.00013840 -0.00064248
0.00861133 -0.01315640 -0.01116036
-6.60739431 0.65046539 -10.96038585
0.00027357 0.00067544 -0.00078267
-0.01579902 -0.02151528 0.05100366
-6.93870807 6.24934885 -5.03303913
-0.00022334 -0.00047076 0.00008793
-0.00624117 0.01861643 -0.01454898
-9.11295201 8.10230373 -5.36527488
0.00036676 0.00018678 0.00004547
0.01115381 -0.00154156 -0.00514492
-7.96522047 -2.99577999 19.10709969
0.00082475 -0.00012562 -0.00009296
0.00151661 -0.03075762 -0.02226916
-8.30253306 -6.03449280 18.54803707
-0.00103564 0.00008803 0.00052443
0.00957359 0.02884719 -0.00627139
-23.62546266 -3.61546300 -23.52129031
-0.00064480 -0.00053911 0.00046391
-0.00031374 0.02153001 -0.00849194
-23.00520951 -5.00500425 -21.00340524
0.00002774 0.00059938 -0.00032302
-0.00336180 0.00633764 -0.01258866
7.14313190 13.23902942 4.32829312
0.00031495 0.00009331 0.00042566
-0.00978895 0.00602368 -0.00367263
8.19995727 11.97031370 6.52280947
0.00055770 -0.00034516 0.00083739
-0.00587982 -0.00474507 0.01073378
24.93946316 28.89890399 -2.31683955
0.00015462 -0.00049061 -0.00002003
0.00024611 -0.01040712 -0.00135359
24.10111526 31.59165429 -1.59922693
-0.00008847 0.00007790 -0.00010099
0.00534652 -0.00881315 -0.02367507
9.13558464 -1.96722451 -15.57891675
-0.00046769 0.00108721 -0.00109440
-0.00664064 0.01477042 0.01436349
7.83071598 -2.10337489 -13.15876839
-0.00092127 -0.00059735 -0.00147082
-0.00780609 -0.01006415 0.02262626
-7.71016201 -0.06464865 15.87495443
0.00078492 0.00126948 0.00030472
0.01617796 0.00903727 -0.00877113
-8.85946386 -2.08379189 14.46749327
0.00022256 -0.00038017 -0.00011136
0.03142471 0.01229486 -0.01697191
-2.30450862 -26.76228429 12.89928667
0.00101376 -0.00013843 -0.00039874
-0.00803737 0.00102702 -0.00559278
-3.06414671 -25.91791281 9.95048375
0.00035878 -0.00010544 -0.00052501
0.01592997 -0.00545425 0.01996471
-14.74504706 -2.85360254 -6.30296588
0.00009711 0.00042669 -0.00026441
0.01243901 -0.00593625 -0.00582010
-14.52831002 -4.69492315 -8.70277284
0.00051347 0.00013462 -0.00013406
-0.00328209 0.00465168 -0.00751714
-19.36715408 -10.96220585 -16.90574576
-0.00087209 0.00029250 0.00009164
-0.01808323 -0.04365193 -0.01646526
-18.28935167 -13.31268903 -18.00860630
-0.00019472 -0.00054540 0.00022313
-0.00212176 -0.01193403 -0.00640750
24.12506944 3.70895805 1.81962361
-0.00013850 -0.00017530 -0.00021896
0.00633246 -0.01643879 -0.02535727
22.94512977 5.14032411 3.82682588
-0.00048550 -0.00028047 0.00043525
-0.01055624 0.00154342 0.01414472
16.26510551 -9.93740540 -13.04214411
0.00018661 0.00054112 0.00008118
0.03012121 -0.00208784 -0.04164874
17.02263050 -10.12805807 -16.12997552
0.00006082 0.00010653 0.00051176
-0.00205572 0.00671052 0.01753168
-0.27229433 1.94451840 -7.88234101
0.00098208 -0.00085186 0.00026341
-0.00236977 -0.00253554 0.00285596
-2.28613866 -0.05666296 -6.96058039
0.00009030 0.00017544 -0.00006696
0.00257593 0.00909641 -0.01603975
-5.31671185 -4.16807397 -16.73964662
0.00105371 -0.00054518 0.00028308
0.01088289 0.01751337 0.01262566
-3.99763539 -1.52409408 -16.70934090
-0.00102719 0.00017152 -0.00065541
-0.00056988 -0.00602937 -0.00470116
12.40963103 18.88309186 -20.39756012
0.00000736 0.00038178 0.00054412
0.01809444 -0.00467545 0.00408356
12.04816176 16.18381664 -20.18845509
0.00098147 -0.00046071 -0.00013630
-0.00479323 -0.02103945 -0.00240878
-15.37262552 15.70409608 -13.76928972
0.00046217 -0.00026351 -0.00136050
0.00718193 0.00261848 0.00428941
-17.42972541 14.99114030 -12.08780995
0.00057520 -0.00006087 0.00023862
0.01717737 0.02262126 0.00478693
2.31593260 15.07708668 5.81138131
-0.00042944 -0.00013431 0.00005724
0.02282250 -0.01013018 -0.01172529
0.70954494 15.85322918 7.79416416
-0.00070620 0.00066826 -0.00050452
-0.00634441 -0.00355176 0.02102012
-5.82470097 -8.08757356 1.43345400
0.00072927 -0.00069849 0.00133709
0.01390600 -0.03178104 0.01716112
-3.63520417 -10.17064990 1.84633379
-0.00003070 -0.00083089 0.00011666
0.00353802 0.01246153 -0.00841146
3.00493227 -4.53633948 2.93637391
0.00138079 -0.00089045 0.00001967
-0.00336044 -0.06807349 -0.00263734
4.53782935 -6.70129285 1.59918870
0.00042638 -0.00055562 0.00053329
-0.00202298 -0.00920753 0.00534576
9.29788458 5.84913278 3.60557141
0.00032340 0.00045451 -0.00105112
0.02427003 -0.00965379 0.01956156
12.03687760 6.38221362 4.71062329
0.00011635 0.00032107 -0.00001596
0.00631382 0.00486015 0.00136198
-7.32556275 -10.89549584 -2.54173830
-0.00084965 0.00104050 -0.00025979
-0.00723456 0.01300905 -0.01213809
-9.54402470 -9.42383298 -1.40458622
0.00060788 -0.00063032 -0.00007582
0.00893663 0.00142798 -0.02683669
4.38533476 -16.09457872 -14.43596095
-0.00005600 0.00142201 -0.00130401
0.01882671 -0.00650638 -0.00877557
3.65203385 -17.13960688 -11.75949863
-0.00060716 -0.00126021 0.00122772
-0.00765077 0.00677819 -0.01749088
5.64944629 -6.87724750 -6.13079466
-0.00052517 -0.00065027 0.00019891
0.00068235 -0.00245396 0.01691483
4.94594334 -8.23232096 -3.48607834
-0.00003118 -0.00016849 0.00121591
0.00411619 0.00521278 -0.02131281
16.95906300 1.96009323 24.74127141
0.00010830 0.00045729 0.00011909
-0.00708163 -0.01918758 0.00034912
19.63848804 2.47551609 24.33893981
-0.00004933 0.00001531 -0.00019878
0.01371091 -0.01044425 0.00960461
-9.82518807 4.01587599 2.30768256
-0.00008207 -0.00016394 -0.00026576
-0.00001779 -0.00878071 0.00345641
-7.21756426 4.31863402 0.95630784
0.00039612 -0.00107587 -0.00009219
-0.01546500 -0.00305872 -0.00188977
-6.27656439 14.13676942 -9.05507093
-0.00018186 -0.00007507 -0.00014565
0.00723929 0.00431112 0.01077518
-9.17070596 13.58164513 -9.43591551
0.00050722 -0.00022811 -0.00009082
0.03736306 0.01430340 -0.01771862
0.51736798 10.79458521 -7.74206609
0.00016358 -0.00069517 -0.00009100
-0.00697180 -0.00322420 -0.01183330
2.89216336 12.19784696 -7.66843609
0.00063853 -0.00073154 -0.00102862
-0.01147915 -0.00390489 -0.02494789
-10.07377365 9.10285934 -13.69424306
0.00043929 -0.00008652 0.00043677
-0.02709719 0.01559043 -0.00316625
-12.67809355 9.76444616 -12.30835530
0.00035886 -0.00055439 -0.00047548
0.02813818 0.00789867 -0.04255967
7.26554885 6.36893648 14.48576266
-0.00083238 -0.00002008 -0.00043011
-0.01984553 -0.01584693 0.01954914
7.36751983 4.32673115 12.96415002
0.00032057 -0.00126987 0.00000360
-0.00153957 -0.02732701 -0.00742289
-13.68926363 10.49039538 -8.49462693
-0.00063713 -0.00048548 0.00018337
-0.01940945 -0.00329919 0.00188631
-16.33636694 9.85043935 -9.96135780
-0.00025332 -0.00051728 0.00039953
0.02038038 -0.01606872 0.02335881
8.15070400 9.87746977 -2.52856967
-0.00026799 -0.00070086 -0.00025602
0.00110224 0.01587176 0.01903587
7.76830700 8.43355857 -4.72033680
0.00033796 -0.00055024 -0.00149026
-0.01606109 -0.00980593 -0.02798923
12.02734549 -19.99581461 -26.28045354
-0.00006487 0.00051642 0.00039706
0.02487121 -0.00761148 -0.00167728
13.81263956 -20.35234459 -24.03361064
0.00048501 -0.00090273 -0.00026031
0.00133409 0.00253650 -0.01701488
5.96711906 4.81131285 2.07235927
0.00040498 -0.00036626 -0.00069245
-0.00061022 0.03286940 0.03047330
6.51031430 7.21914365 0.85326397
0.00057620 0.00025070 -0.00013560
0.00467399 0.02217285 -0.01317532
20.43965522 -6.41997232 -5.72857689
-0.00066088 0.00020833 -0.00010051
-0.02655403 0.00787674 -0.01135527
17.70380877 -5.21180154 -5.55204405
-0.00075649 0.00066594 0.00002875
-0.01838989 0.01066643 0.01477727
-2.25564342 0.41839125 -1.07076162
0.00077872 0.00008006 0.00001830
-0.02812248 0.01349111 0.03353452
-2.32396112 0.97741786 -4.04145485
0.00124518 0.00006299 0.00036022
0.01051299 0.00419260 0.01006195
3.57813536 -3.08823437 -12.21405798
-0.00019842 0.00100448 -0.00007956
0.02790898 -0.02052300 -0.00215548
0.70859741 -2.85486052 -11.53536345
-0.00016010 -0.00061700 0.00031530
0.02388678 0.02725319 -0.00431495
19.08112467 8.36809152 -6.64247802
-0.00006501 -0.00002799 -0.00020190
0.02790569 0.01914390 0.02232283
21.64693091 8.52970601 -4.98321057
0.00012508 -0.00089273 -0.00044527
-0.00080659 -0.00257154 0.00099135
-7.19896917 4.60351522 9.12028310
0.00065067 -0.00010722 0.00081388
-0.00111548 -0.00351181 0.00313860
-7.94549021 6.32269265 11.37100759
-0.00114306 0.00018875 0.00108907
0.00299296 0.00076919 -0.02471223
-3.13698511 -16.24026926 10.95066679
0.00071607 -0.00029727 -0.00116901
0.01652855 -0.00042445 0.00274982
-4.22327104 -13.78954579 11.43227255
0.00010411 0.00010937 -0.00068902
0.01662704 0.00230053 -0.00080304
8.64503541 0.59081107 -3.12119040
0.00036701 0.00005165 0.00008951
-0.01260714 -0.00595429 -0.03599505
7.85551499 1.70841855 -5.84744500
-0.00012380 0.00009068 -0.00075094
-0.00553323 0.03514026 -0.00827793
0.78874743 -10.87181821 1.76975130
-0.00115158 -0.00075497 0.00074249
-0.00061161 0.00136287 -0.00073446
0.02986230 -8.47951858 0.19881789
-0.00017437 -0.00066023 -0.00082909
0.00316845 -0.00027980 -0.00485364
-20.25320545 -1.50037738 6.61783532
-0.00015271 -0.00009210 -0.00051772
0.00239025 0.00629944 0.00562643
-21.30525778 0.21291838 4.48810660
-0.00064306 0.00058411 -0.00004063
-0.02573496 0.03517835 -0.00626532
-3.80654146 8.31781844 -25.18719850
0.00024276 0.00043563 0.00136000
0.02108899 0.02765906 -0.01239565
-4.55318316 8.77037880 -22.24547901
0.00027042 0.00002226 0.00033627
0.00942109 0.02054406 0.00618720
4.32168116 1.43639741 -0.89748743
0.00070598 0.00093669 -0.00021185
-0.03439440 -0.00144274 -0.00986833
1.24461647 1.05617283 -1.54937073
-0.00034542 -0.00021572 0.00033829
0.00483748 -0.01064780 -0.01101569
15.66054873 7.72463321 6.35483275
-0.00041181 0.00018005 0.00065075
0.00092845 -0.00888301 -0.00756227
15.94346848 9.08599165 3.80344123
-0.00005233 -0.00028416 -0.00053924
-0.01633662 -0.04526678 0.01272416
-0.27423167 -11.82170702 -13.16517309
0.00019955 -0.00000676 0.00021982
0.01014761 0.00045606 -0.00089931
-13.94820854 14.42786514 22.25800932
-0.00001635 -0.00013428 0.00016311
0.00161769 -0.00020978 0.00252781
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03085090
0.28993213
386.32003216
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1362249865
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.2643997047 (a.u.)
total exchange computation time: 2.7241749763 s
-153.9230414946
-931.32370504
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1362249865
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.2650915550 (a.u.)
total exchange computation time: 2.7224140167 s
-153.9190753277
Anderson extrapolation: theta=1.3924795311 (1.3924795311)
-931.32396633
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1362249865
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2660373583 (a.u.)
total exchange computation time: 2.7237899303 s
-153.9137843417
Anderson extrapolation: theta=0.0708465283 (0.0708465283)
-931.32413691
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1362249865
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.2660773728 (a.u.)
total exchange computation time: 2.7247579098 s
-153.9137092620
Anderson extrapolation: theta=2.4421019464 (2.0000000000)
-931.32414811
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1362249865
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.2661365112 (a.u.)
total exchange computation time: 2.7251298428 s
-153.9136424322
Anderson extrapolation: theta=0.4810868821 (0.4810868821)
-931.32416412
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1362249865
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2661560939 (a.u.)
total exchange computation time: 2.7257590294 s
-153.9135699808
Anderson extrapolation: theta=0.8652316937 (0.8652316937)
-931.32416946
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1362249865
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2661744379 (a.u.)
total exchange computation time: 2.7258279324 s
-153.9133942787
Anderson extrapolation: theta=0.6034581072 (0.6034581072)
-931.32417298
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1362249865
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2661902881 (a.u.)
total exchange computation time: 2.7261509895 s
-153.9131756062
Anderson extrapolation: theta=0.6434163362 (0.6434163362)
-931.32417456
-164.482538 49.728456 -203.814179
-132.597966 460.718819 -801.620177
-297.080504 510.447275 -1005.434356
1166.066675
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563953488
ExchangeOperator: pair fraction: ispin=0: 0.1362249865
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.2662044092 (a.u.)
total exchange computation time: 2.7262680531 s
677.25693255
-1080.43652404
90.00524446
-391.32844396
-174.55517990
76.52359220
551.60419304
0.00000000
-931.32417529
-10.87810514 -4.31797619 6.67397314
0.00009162 -0.00015690 -0.00004316
-0.01499363 0.00137046 -0.04026470
-13.89783936 3.70811559 9.24016172
0.00018533 0.00027681 -0.00017970
0.00935445 0.00426490 -0.01214780
-15.94624368 1.47981054 3.42055800
-0.00000695 0.00028743 -0.00021573
-0.01913155 0.00002620 -0.01369864
2.65917542 -19.84566920 12.81292987
0.00022330 0.00012141 0.00011572
0.00764606 0.04882930 0.04578607
9.57085594 20.36936529 1.29642670
0.00005970 0.00000261 0.00026236
0.03299732 -0.02084380 -0.02590751
-12.12384010 12.55321250 15.20359308
-0.00006890 0.00004837 0.00003756
0.01841208 0.01161407 0.02924530
-6.17340213 1.38752118 -12.49117898
0.00010675 -0.00015444 -0.00020363
0.00694592 0.04150243 -0.04709474
-7.45207429 7.72688924 -6.08436805
-0.00015918 -0.00013705 -0.00030902
-0.00671356 -0.02583727 0.01390374
-7.77872433 -4.36603414 17.80603660
-0.00006727 -0.00006417 0.00004563
-0.00708761 -0.00828450 0.03376584
-23.61618314 -5.22991376 -22.73212766
-0.00022034 -0.00035821 -0.00031132
0.00141167 -0.02523603 0.02299060
6.60063141 12.75932049 6.01640538
0.00003330 0.00002594 -0.00026521
0.02591521 -0.00606659 -0.00544406
24.80667167 30.56269352 -3.02606558
0.00011355 0.00026418 -0.00018873
-0.01265373 0.01245194 0.02334631
7.92797638 -0.94709399 -14.51093513
0.00006074 0.00017503 0.00018306
0.01165656 -0.00308084 -0.03303743
-7.41470885 -0.86794826 14.21764185
-0.00039184 0.00004639 -0.00037883
-0.04077773 -0.01572745 0.01754436
-1.69745830 -26.18132046 11.21943959
0.00010022 0.00004499 -0.00016742
-0.01051405 0.00140124 -0.02538468
-14.00509142 -4.42636698 -6.97760588
0.00011516 0.00005649 0.00003927
-0.00804704 -0.00439204 0.00554967
-19.97332077 -12.67846936 -17.65856816
0.00024727 0.00005204 0.00020413
0.01498775 0.06005562 0.02170840
22.80192764 3.51396616 3.02511069
0.00016512 0.00008324 0.00015678
-0.00709939 0.02276666 0.02101911
17.62685144 -10.40503173 -14.39578282
-0.00025247 -0.00037393 -0.00006952
-0.02673612 0.00605123 0.03034176
-1.93130010 1.74636581 -7.03598973
0.00006754 -0.00018967 -0.00003386
-0.00177240 -0.00362243 -0.00675515
-4.35876905 -2.99075970 -15.65302746
-0.00029420 0.00004011 -0.00009619
-0.00406482 -0.00640925 -0.01128972
13.41227030 17.33817443 -19.87721638
-0.00001022 0.00015272 0.00025138
-0.00403387 0.02582585 -0.01058658
-15.92371973 16.15777249 -12.05817288
0.00047651 0.00021695 0.00030556
-0.01632420 -0.02346507 -0.01363815
2.09879235 14.67740329 7.58674959
0.00046174 0.00023147 0.00003562
-0.03560139 0.01030315 -0.00118350
-5.36983902 -9.73126759 2.30075537
-0.00009002 -0.00007031 0.00015208
-0.00547853 0.01279427 -0.00444879
3.04651238 -6.56915748 2.71478908
-0.00013178 0.00004903 0.00027270
0.00596454 0.08460478 -0.00554506
10.84043985 5.03124304 4.41574105
-0.00018137 0.00032473 -0.00001244
-0.04089714 0.02065638 -0.01025957
-8.53481181 -9.54017641 -3.01228871
0.00002627 0.00018201 -0.00040705
-0.01145794 -0.01336556 0.04043429
3.20165108 -15.93628060 -13.12065986
0.00009931 0.00012565 0.00008272
-0.01447563 -0.00150516 0.02825810
4.76051958 -8.29078136 -5.33181873
-0.00010618 0.00037137 0.00029036
-0.01013161 -0.00756806 0.01330761
18.53809315 1.01290576 24.60626493
-0.00008094 0.00019651 -0.00022636
-0.01061517 0.02126273 -0.00133394
-8.60639025 3.11226401 1.19805008
-0.00020561 0.00008208 0.00006545
0.03036524 -0.00067397 -0.01840732
-7.55693698 14.21211490 -10.31475898
0.00035408 -0.00010557 0.00037693
-0.04553300 -0.02109981 0.00070776
1.69868882 11.46683734 -8.98418239
0.00004751 0.00022738 0.00024287
0.01598299 0.00936644 0.03255695
-11.62276502 10.18909513 -13.91071171
0.00015504 0.00023813 -0.00005240
0.00083469 -0.03043450 0.04860365
6.81749600 4.50296601 14.72095192
-0.00025702 0.00039689 -0.00010902
0.02455809 0.02722344 -0.02089322
-14.90009745 9.09665576 -8.97475118
-0.00021205 -0.00018456 0.00017932
-0.00436779 0.02122745 -0.02514201
8.47141626 8.20371663 -3.10300200
-0.00002158 0.00006194 0.00011446
0.01220676 -0.00767839 0.00265709
13.81049009 -20.47032529 -25.93661359
0.00007662 -0.00003930 -0.00014580
-0.02970521 0.01131504 0.02322382
6.15317293 6.71363712 2.54731477
-0.00022044 0.00022758 -0.00020404
0.00195680 -0.06017111 -0.02267651
18.94894031 -5.81028621 -6.70685161
-0.00022570 -0.00016122 -0.00016891
0.03597719 -0.01770625 0.00257216
-1.69028728 -0.10441461 -2.64782654
-0.00004468 -0.00027014 0.00012476
0.02083355 -0.02299222 -0.02146213
2.37103624 -1.79865717 -12.05327423
0.00016075 0.00002943 0.00016670
-0.05107050 -0.00381345 0.00070535
20.04083007 9.38732480 -5.34445788
-0.00069592 0.00013156 -0.00020689
-0.00842318 -0.02088833 -0.02904796
-7.62270079 6.36830752 9.51792988
-0.00024647 -0.00016803 0.00003788
-0.00776305 0.00141574 0.03666612
-2.53097559 -14.56504908 11.43238903
0.00000688 0.00002305 -0.00003964
-0.03700647 -0.00975123 0.00095035
8.11446221 0.21280500 -4.89933260
0.00000471 -0.00032792 0.00019981
0.01301883 -0.02071820 0.04568392
-0.15239222 -10.30233366 0.28238409
-0.00014848 -0.00028961 -0.00021173
-0.00408450 -0.01512257 0.00971422
-20.25925421 -1.16199839 4.79898430
-0.00013958 0.00018234 0.00014028
0.02563034 -0.03760977 -0.00439514
-4.54858111 7.71759995 -23.67307253
0.00002340 0.00002468 -0.00021889
-0.03830401 -0.05053327 0.03119285
2.61672405 2.17797450 -1.05823633
0.00030586 -0.00030652 0.00025934
0.03888720 0.01345534 0.00282793
15.48860554 7.33357366 4.54132821
-0.00006283 -0.00013515 -0.00026690
0.01474099 0.05930279 -0.00185583
-9.85347704 -4.56912132 8.08346608
-0.00074673 0.00031089 0.00094248
0.02288780 -0.00407503 0.02503246
-9.83848618 -4.36308753 5.07422735
0.00115617 -0.00161867 0.00053467
-0.00569371 -0.00456303 0.02360891
-12.63859531 4.68321107 8.26937928
0.00037743 -0.00079062 -0.00066553
-0.01303906 -0.01508471 0.00905921
-13.86764266 1.93934147 8.54154986
0.00005789 0.00069038 0.00005595
0.00483320 0.01289450 0.01013183
-15.49318810 2.23428839 5.00519832
0.00015410 0.00076962 0.00089812
0.00335080 -0.00250651 0.00854512
-17.54256444 0.51025739 3.80157302
-0.00097874 0.00028450 -0.00030949
0.01551557 0.00629638 0.00213067
3.08116053 -21.37842220 11.99597162
-0.00023702 -0.00088805 0.00056320
0.00790915 -0.02824094 -0.01130489
3.93629831 -19.26365557 14.14800044
0.00042487 0.00079143 -0.00116662
-0.02199235 -0.01531384 -0.03359217
8.82526474 18.69638447 1.08193103
-0.00056965 0.00029012 -0.00002470
-0.01360017 0.01250014 0.00380081
8.62913534 21.65209150 2.12618964
-0.00054114 -0.00053859 0.00071181
-0.02482555 0.00606042 0.01527814
-11.33915480 11.80280597 16.75127244
-0.00021976 0.00054254 0.00102286
-0.00403512 0.01326453 -0.02188521
-12.59380644 14.26661044 15.82078080
-0.00009801 -0.00006982 -0.00011848
-0.00036780 -0.01370085 -0.01240898
-5.13210022 0.19592612 -13.32222357
0.00039894 -0.00018773 -0.00068353
0.00633832 -0.01099076 -0.00893731
-6.60377491 0.65993765 -10.97056295
0.00020560 0.00057988 -0.00056053
-0.01746985 -0.02525927 0.05773220
-6.94224943 6.24285796 -5.03216608
-0.00024962 -0.00039036 0.00002525
-0.00662087 0.02073672 -0.01613212
-9.10710885 8.10505812 -5.36475046
0.00040816 0.00018171 0.00002578
0.00911309 -0.00093748 -0.00449585
-7.95280271 -2.99860674 19.10502296
0.00082991 -0.00024834 -0.00018171
0.00100767 -0.02931617 -0.02117593
-8.31777433 -6.03228833 18.55571128
-0.00099451 0.00020839 0.00049666
0.01056135 0.03006924 -0.00732070
-23.63514422 -3.62288987 -23.51459181
-0.00064675 -0.00044451 0.00042387
-0.00064294 0.02477541 -0.01111027
-23.00489645 -4.99581928 -21.00863632
0.00001336 0.00062266 -0.00037603
-0.00367506 0.00505375 -0.01335711
7.14755619 13.24061365 4.33456555
0.00027798 0.00011927 0.00040374
-0.00830946 0.00668665 -0.00705763
8.20814259 11.96499083 6.53569930
0.00052320 -0.00035887 0.00087624
-0.01100812 -0.00196505 0.00828074
24.94179004 28.89122591 -2.31718146
0.00015468 -0.00052114 -0.00003021
-0.00021868 -0.00453514 -0.00363036
24.09995200 31.59255274 -1.60146720
-0.00006663 0.00004202 -0.00019739
0.00534507 -0.00875304 -0.02351628
9.12836582 -1.95046376 -15.59489262
-0.00049450 0.00114659 -0.00103447
-0.00648511 0.01429653 0.01497476
7.81665778 -2.11264350 -13.18013736
-0.00095360 -0.00064715 -0.00136994
-0.00802152 -0.01431686 0.02675617
-7.69789251 -0.04532953 15.87925642
0.00084981 0.00129814 0.00025735
0.01558511 0.00499147 -0.01441518
-8.85516249 -2.08911769 14.46530280
0.00034893 -0.00032920 -0.00017827
0.03043354 0.01265557 -0.01578300
-2.28954850 -26.76432922 12.89313416
0.00097740 -0.00013603 -0.00041681
-0.00976371 0.00014404 -0.00325206
-3.05827689 -25.91966158 9.94322037
0.00042296 -0.00012771 -0.00044256
0.01548528 -0.00544395 0.02039623
-14.74320922 -2.84738410 -6.30711040
0.00014904 0.00039985 -0.00028861
0.01298203 -0.00720107 -0.00602470
-14.52070857 -4.69276137 -8.70501404
0.00050027 0.00015344 -0.00016384
-0.00317736 0.00456076 -0.00706182
-19.38078958 -10.95915601 -16.90487575
-0.00094257 0.00011450 0.00002451
-0.01641750 -0.04347861 -0.01639412
-18.29233752 -13.32123570 -18.00545570
-0.00020031 -0.00059282 0.00019672
-0.00061260 -0.01127939 -0.00651967
24.12318592 3.70582481 1.81556216
-0.00011269 -0.00024112 -0.00032148
0.00630469 -0.01578142 -0.02482424
22.93752379 5.13616437 3.83378800
-0.00052695 -0.00027132 0.00049336
-0.00973514 0.00293292 0.01430160
16.26882761 -9.92935262 -13.04220262
0.00030885 0.00053194 -0.00008828
0.02971553 -0.00240350 -0.04130421
17.02347982 -10.12625443 -16.12176188
0.00004966 0.00013485 0.00057547
-0.00340906 0.00714807 0.01365654
-0.25763577 1.93166276 -7.87830232
0.00096565 -0.00086134 0.00027806
-0.00567166 -0.00210201 0.00431475
-2.28470528 -0.05375263 -6.96207627
0.00009867 0.00020674 -0.00013161
0.00152476 0.00622452 -0.01560754
-5.30057265 -4.17571494 -16.73501352
0.00109333 -0.00047861 0.00033023
0.00851137 0.01507148 0.01045229
-4.01306075 -1.52170602 -16.71931618
-0.00102977 0.00014371 -0.00067191
-0.00069036 -0.00758505 -0.00337092
12.41029597 18.88867536 -20.38927319
0.00008010 0.00036035 0.00056131
0.01751209 -0.00581875 0.00433216
12.06273698 16.17626131 -20.19057341
0.00095838 -0.00054726 -0.00014729
-0.00650946 -0.02132874 -0.00297294
-15.36547297 15.70022370 -13.78956571
0.00048465 -0.00024816 -0.00132265
0.00382497 0.00489452 0.01423383
-17.42057107 14.99092044 -12.08408395
0.00064585 0.00003227 0.00025835
0.01740972 0.02297013 0.00487200
2.31019028 15.07476158 5.81188055
-0.00033496 -0.00017523 0.00000621
0.02342967 -0.00990043 -0.01325174
0.69875748 15.86314417 7.78724052
-0.00071924 0.00064321 -0.00041983
-0.00003555 -0.00870565 0.02043326
-5.81333578 -8.09902474 1.45403627
0.00078221 -0.00081483 0.00139919
0.01200608 -0.02516979 0.01323433
-3.63555624 -10.18273137 1.84782593
-0.00001971 -0.00077840 0.00008309
0.00183901 0.01323175 -0.00802275
3.02554110 -4.55178214 2.93658819
0.00136436 -0.00116139 0.00001012
-0.00468116 -0.06455533 -0.00203627
4.54416311 -6.70990924 1.60735180
0.00041483 -0.00059408 0.00055710
-0.00363353 -0.00961915 0.00631156
9.30347937 5.85565463 3.59040402
0.00042226 0.00041474 -0.00096971
0.02411958 -0.00981658 0.02029033
12.03881629 6.38717856 4.71042564
0.00014034 0.00033848 -0.00001118
0.00542943 0.00366232 0.00097897
-7.33852914 -10.87948965 -2.54600709
-0.00086690 0.00108178 -0.00030778
-0.00121103 0.00719791 -0.01135261
-9.53463267 -9.43324397 -1.40654584
0.00064161 -0.00062215 -0.00018475
0.00757396 0.00257035 -0.02648460
4.38507165 -16.07344797 -14.45578993
0.00001152 0.00139442 -0.00132588
0.01422337 -0.00700018 -0.00193460
3.64269203 -17.15830233 -11.74161884
-0.00064011 -0.00122138 0.00114010
-0.00847824 0.01222731 -0.02539987
5.64158958 -6.88707668 -6.12729268
-0.00051560 -0.00064942 0.00026355
0.00400291 0.00286750 0.01472820
4.94560180 -8.23468859 -3.46849275
-0.00001461 -0.00014640 0.00111632
0.00399322 0.00560033 -0.02743874
16.96047047 1.96636456 24.74306840
0.00007928 0.00037863 0.00012070
-0.00712213 -0.01931393 0.00043956
19.63816818 2.47542566 24.33625249
0.00000799 -0.00002593 -0.00015970
0.01435178 -0.00974095 0.00952282
-9.82641972 4.01314786 2.30380213
-0.00008363 -0.00019659 -0.00024892
-0.00074599 -0.00720056 0.00478565
-7.21209635 4.30240218 0.95486714
0.00033450 -0.00108453 -0.00009970
-0.01469985 -0.00117883 -0.00178753
-6.27907041 14.13577547 -9.05692549
-0.00014322 -0.00005790 -0.00009267
0.01167493 0.00409598 0.01516047
-9.16195279 13.57866172 -9.43782070
0.00065668 -0.00017061 -0.00016131
0.03579997 0.01384403 -0.01678763
0.51960811 10.78405884 -7.74379375
0.00013653 -0.00070669 -0.00013858
-0.00627203 -0.00241464 -0.01145689
2.90138949 12.18675426 -7.68462992
0.00059491 -0.00074402 -0.00112289
-0.00987274 -0.00220847 -0.02119827
-10.06801471 9.10203921 -13.68778854
0.00032539 -0.00001998 0.00042176
-0.02865474 0.01698423 -0.00417922
-12.67184844 9.75637238 -12.31679168
0.00047088 -0.00052133 -0.00064638
0.02669787 0.00828521 -0.04109639
7.25245497 6.36814964 14.47991011
-0.00091169 -0.00008063 -0.00035242
-0.01897819 -0.01379238 0.01847907
7.37228123 4.30684569 12.96397651
0.00031378 -0.00137825 -0.00002241
-0.00178448 -0.02572546 -0.00530856
-13.69941534 10.48301211 -8.49181856
-0.00071256 -0.00049479 0.00019213
-0.01751632 -0.00125797 0.00240223
-16.33954224 9.84218776 -9.95464912
-0.00017226 -0.00058138 0.00049289
0.01929811 -0.01530838 0.02234102
8.14671785 9.86744325 -2.53182662
-0.00026682 -0.00062396 -0.00017569
-0.00052765 0.02177256 0.02028498
7.77288423 8.42500442 -4.74354845
0.00028204 -0.00059154 -0.00158188
-0.01131046 -0.01040675 -0.01685548
12.02713452 -19.98830150 -26.27454897
0.00003842 0.00048461 0.00039029
0.02569193 -0.00796251 -0.00163764
13.81995565 -20.36580781 -24.03803661
0.00049032 -0.00089195 -0.00032834
0.00126113 0.00273916 -0.01628986
5.97317510 4.80682610 2.06290637
0.00040216 -0.00022773 -0.00056618
-0.00077386 0.03494496 0.03133443
6.51910049 7.22358357 0.85082627
0.00059439 0.00034078 -0.00018720
0.00423240 0.02192119 -0.01208468
20.42892836 -6.41660607 -5.73043255
-0.00076431 0.00023821 -0.00014352
-0.02407670 0.00675217 -0.00969565
17.69189786 -5.20148551 -5.55116005
-0.00082269 0.00070487 0.00008050
-0.01401636 0.00838551 0.01055540
-2.24482435 0.42000555 -1.06945947
0.00066271 0.00013672 0.00015801
-0.02866632 0.01424291 0.03485468
-2.30496121 0.97849124 -4.03574325
0.00128535 0.00008332 0.00039664
0.00914761 0.00575770 0.00776519
3.57601430 -3.07379601 -12.21531751
-0.00007301 0.00090877 -0.00008985
0.03348171 -0.02632841 -0.00287796
0.70692788 -2.86328035 -11.53076611
-0.00006073 -0.00050405 0.00029673
0.02475471 0.02803703 -0.00477967
19.08100466 8.36825828 -6.64482249
0.00004532 0.00004890 -0.00011281
0.02610095 0.01849612 0.02128647
21.64878242 8.51623622 -4.98985917
0.00010861 -0.00089454 -0.00044313
-0.00725579 0.00168492 0.00005497
-7.18924326 4.60179927 9.13258751
0.00064581 -0.00012236 0.00082633
-0.00126306 -0.00389979 0.00295386
-7.96254438 6.32554744 11.38658638
-0.00112749 0.00019198 0.00097443
0.00462687 0.00081529 -0.03140375
-3.12573764 -16.24474134 10.93321586
0.00078401 -0.00029324 -0.00115557
0.01672964 0.00239561 0.00383078
-4.22119984 -13.78783469 11.42191270
0.00017082 0.00011768 -0.00069198
0.01602763 0.00176289 -0.00064848
8.65015429 0.59140338 -3.12095079
0.00031528 0.00002739 -0.00005762
-0.01271562 -0.00592360 -0.03602363
7.85348847 1.71085549 -5.85896281
-0.00014385 0.00022081 -0.00077536
-0.00428203 0.02856064 -0.00367223
0.77145498 -10.88310105 1.78086615
-0.00115569 -0.00074643 0.00073436
-0.00139817 0.00282086 -0.00324376
0.02734382 -8.48943055 0.18623283
-0.00016053 -0.00065610 -0.00084777
0.00360637 0.00229881 -0.00429202
-20.25542283 -1.50156583 6.61024188
-0.00014318 -0.00006714 -0.00048718
0.00227372 0.00591701 0.00932439
-21.31569230 0.22275805 4.48730520
-0.00073966 0.00071692 -0.00006315
-0.02155318 0.02983094 -0.00476033
-3.80225387 8.32520040 -25.16717828
0.00033608 0.00055390 0.00129319
0.02459275 0.03023689 -0.02031279
-4.54883817 8.77134228 -22.24024539
0.00030843 0.00009982 0.00035476
0.00918380 0.01741947 0.00286302
4.33121696 1.45040360 -0.90096756
0.00056721 0.00092757 -0.00025212
-0.03353562 -0.00302123 -0.00984526
1.23958340 1.05261075 -1.54463389
-0.00031979 -0.00025695 0.00029429
0.00770833 -0.00953370 -0.01052550
15.65440010 7.72706179 6.36436220
-0.00040884 0.00014180 0.00060770
0.00052242 -0.00984107 -0.01350841
15.94218287 9.08034208 3.79574252
-0.00011890 -0.00046792 -0.00048640
-0.01624997 -0.04468082 0.01314086
-0.27121118 -11.82180715 -13.16187815
0.00020320 -0.00000659 0.00021951
0.01023710 0.00046967 -0.00085330
-13.94845100 14.42585064 22.26046043
-0.00001599 -0.00013432 0.00016370
0.00146874 -0.00018969 0.00250387
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03089018
0.29328511
390.78770861
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1371335857
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2635942391 (a.u.)
total exchange computation time: 2.7467279434 s
-153.9167883091
-931.32815497
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1371335857
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2643106594 (a.u.)
total exchange computation time: 2.7486491203 s
-153.9125262964
Anderson extrapolation: theta=1.3500939333 (1.3500939333)
-931.32840386
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1371335857
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.2652535119 (a.u.)
total exchange computation time: 2.7458209991 s
-153.9070561653
Anderson extrapolation: theta=0.0526232705 (0.0526232705)
-931.32855458
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1371335857
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.2652732322 (a.u.)
total exchange computation time: 2.7451269627 s
-153.9070930279
Anderson extrapolation: theta=1.9975287937 (1.9975287937)
-931.32856064
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1371335857
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2652916828 (a.u.)
total exchange computation time: 2.7471539974 s
-153.9072651905
Anderson extrapolation: theta=0.2330127904 (0.2330127904)
-931.32856743
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1371335857
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.2652851765 (a.u.)
total exchange computation time: 2.7446310520 s
-153.9073196159
Anderson extrapolation: theta=1.9032958799 (1.9032958799)
-931.32856881
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1371335857
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.2652778542 (a.u.)
total exchange computation time: 2.7446610928 s
-153.9073158139
Anderson extrapolation: theta=0.2898322672 (0.2898322672)
-931.32857058
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1371335857
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2652817911 (a.u.)
total exchange computation time: 2.7446877956 s
-153.9072140679
Anderson extrapolation: theta=1.3165096447 (1.3165096447)
-931.32857102
-164.482514 49.645033 -203.790605
-132.562714 460.705047 -801.667858
-297.045228 510.350081 -1005.458464
1166.035932
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1371335857
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2652911184 (a.u.)
total exchange computation time: 2.7463369370 s
677.24435878
-1080.39585212
89.99865903
-391.35836445
-174.55208150
76.49783245
551.60419304
0.00000000
-931.32857137
-10.87678864 -4.32032436 6.67317041
0.00008458 -0.00015644 -0.00006324
-0.01239572 0.00040584 -0.03783686
-13.89502330 3.71228412 9.23741930
0.00019002 0.00027924 -0.00018568
0.00886091 0.00518824 -0.01107135
-15.94642169 1.48412214 3.41726916
-0.00001696 0.00028796 -0.00022053
-0.01980527 0.00201120 -0.00497101
2.66255443 -19.84365973 12.81484225
0.00022703 0.00014521 0.00013787
0.00684422 0.04373278 0.04035262
9.57187866 20.36932410 1.30026222
0.00007613 -0.00000780 0.00024933
0.03091930 -0.01964150 -0.02476064
-12.12480263 12.55398291 15.20426928
-0.00005913 0.00005382 0.00005323
0.01960956 0.00956495 0.03168108
-6.17177405 1.38536463 -12.49441512
0.00011122 -0.00013308 -0.00022955
0.01044084 0.04155314 -0.05370440
-7.45448783 7.72473377 -6.08894978
-0.00016203 -0.00015084 -0.00030181
-0.00437383 -0.02777745 0.01413080
-7.77976077 -4.36702867 17.80685137
-0.00007090 -0.00006907 0.00006268
-0.00700767 -0.01075563 0.03252375
-23.61948279 -5.23538425 -22.73670871
-0.00021945 -0.00037151 -0.00029885
0.00205460 -0.02649373 0.02547208
6.60123090 12.75968618 6.01240629
0.00004747 0.00002203 -0.00026647
0.02919893 -0.00915338 0.00053204
24.80832612 30.56670425 -3.02880652
0.00010719 0.00026896 -0.00017638
-0.01206809 0.00612420 0.02468141
7.92893249 -0.94448040 -14.50831671
0.00006672 0.00017446 0.00016519
0.01158061 0.00085958 -0.03643232
-7.42074375 -0.86731303 14.21202714
-0.00041218 0.00003938 -0.00036880
-0.03833309 -0.01155452 0.02144359
-1.69599562 -26.18064027 11.21683035
0.00009546 0.00004593 -0.00018101
-0.00796948 0.00227439 -0.02744152
-14.00339506 -4.42553662 -6.97699548
0.00011091 0.00005446 0.00004198
-0.00846661 -0.00347729 0.00499497
-19.96955387 -12.67745711 -17.65542250
0.00025407 0.00008247 0.00021511
0.01146364 0.05829229 0.02098386
22.80437702 3.51530263 3.02754343
0.00016139 0.00009441 0.00016725
-0.00740718 0.02063653 0.01969932
17.62296120 -10.41061741 -14.39670856
-0.00026560 -0.00037093 -0.00005306
-0.02429672 0.00561641 0.03367187
-1.93029391 1.74350684 -7.03652367
0.00006777 -0.00019079 -0.00003771
0.00267036 -0.00075656 -0.00820972
-4.36319774 -2.99018283 -15.65451390
-0.00029554 0.00003794 -0.00010167
-0.00114231 -0.00201312 -0.01001693
13.41210139 17.34056492 -19.87348655
-0.00001180 0.00016610 0.00024604
-0.00209914 0.02620002 -0.01016830
-15.91663501 16.16093626 -12.05364214
0.00046896 0.00020441 0.00029622
-0.01305567 -0.02531820 -0.02265612
2.10558111 14.68091501 7.58727927
0.00044183 0.00023790 0.00003546
-0.04182544 0.01472191 0.00055931
-5.37121051 -9.73227286 2.30301941
-0.00009181 -0.00006590 0.00015075
-0.00145499 0.00434446 -0.00070633
3.04455862 -6.56809568 2.71885824
-0.00012798 0.00009126 0.00026933
0.00883089 0.07961229 -0.00756269
10.83756162 5.03619370 4.41551492
-0.00020195 0.00033561 -0.00001768
-0.03915948 0.02164485 -0.01013671
-8.53446192 -9.53749778 -3.01823845
0.00001915 0.00017648 -0.00038677
-0.01623384 -0.00813095 0.03842453
3.20308484 -15.93440164 -13.11931000
0.00009314 0.00012378 0.00009717
-0.00949132 -0.00577985 0.02791353
4.75888786 -8.28523996 -5.32741195
-0.00011223 0.00036596 0.00029915
-0.01339851 -0.01348909 0.02087025
18.53683811 1.01593536 24.60286432
-0.00008649 0.00020720 -0.00022699
-0.01098708 0.02031771 -0.00110276
-8.60935731 3.11349255 1.19896089
-0.00019011 0.00008083 0.00005566
0.02990931 -0.00417124 -0.01967425
-7.55180137 14.21044992 -10.30910225
0.00033029 -0.00011614 0.00037592
-0.04700780 -0.01998228 -0.00462846
1.69946310 11.47028424 -8.98041375
0.00005490 0.00023148 0.00025840
0.01274232 0.00655937 0.02784204
-11.62043622 10.19254967 -13.91131025
0.00015619 0.00022224 -0.00002779
0.00365119 -0.03134795 0.04710252
6.81373538 4.50902434 14.71923596
-0.00024452 0.00040962 -0.00012012
0.02405728 0.02228487 -0.02226607
-14.90329499 9.09396928 -8.97215836
-0.00021436 -0.00017443 0.00016660
-0.00462143 0.01815663 -0.02431840
8.47113959 8.20461613 -3.10127487
-0.00001608 0.00005676 0.00011272
0.00918946 -0.01247938 -0.00941377
13.81152474 -20.47087115 -25.93871096
0.00006137 -0.00003348 -0.00013415
-0.02956932 0.01132736 0.02207786
6.14987387 6.71681865 2.54416675
-0.00021926 0.00019646 -0.00021623
0.00262273 -0.06083392 -0.02474472
18.94569355 -5.81277280 -6.70937527
-0.00020924 -0.00016932 -0.00016701
0.02803431 -0.01381246 0.00479826
-1.69087705 -0.10855538 -2.64603787
-0.00003369 -0.00028234 0.00011440
0.02187643 -0.02446982 -0.01883157
2.37325056 -1.79823043 -12.05077095
0.00013317 0.00002857 0.00016745
-0.05618197 0.00048596 0.00219261
20.03035876 9.38921768 -5.34767334
-0.00069796 0.00012017 -0.00022116
0.00047750 -0.02341951 -0.02642883
-7.62642784 6.36579257 9.51863946
-0.00025078 -0.00016722 0.00005814
-0.00897210 0.00173873 0.04214673
-2.53101512 -14.56474099 11.43179817
-0.00001188 0.00001746 -0.00003944
-0.03595664 -0.01199137 -0.00018134
8.11458302 0.20780630 -4.89615924
0.00001095 -0.00033667 0.00022174
0.01127576 -0.01332353 0.03959881
-0.15463518 -10.30673610 0.27924558
-0.00015048 -0.00029839 -0.00020620
-0.00367650 -0.01903762 0.01179811
-20.26124902 -1.15940837 4.80107152
-0.00012765 0.00016487 0.00013660
0.02077244 -0.03033586 -0.00989739
-4.54837785 7.71777527 -23.67623561
0.00000294 -0.00000107 -0.00020026
-0.04124994 -0.04961333 0.04126806
2.62146200 2.17342865 -1.05433531
0.00032459 -0.00029950 0.00026062
0.03393849 0.01384118 0.00213480
15.48772001 7.33177512 4.53731756
-0.00005526 -0.00010488 -0.00026642
0.01467199 0.05839836 0.00372125
-9.86397658 -4.56458284 8.09837040
-0.00065745 0.00029531 0.00104004
0.02081502 -0.00355370 0.02272066
-9.82131808 -4.38750747 5.08297092
0.00113130 -0.00163591 0.00063103
-0.00648360 -0.00387478 0.02355603
-12.63333341 4.67088951 8.25967394
0.00032617 -0.00084878 -0.00062945
-0.01205115 -0.01338585 0.00860115
-13.86662613 1.95009223 8.54269962
0.00007675 0.00073748 0.00009663
0.00439729 0.01016532 0.00978016
-15.49077394 2.24575593 5.01893197
0.00016215 0.00075106 0.00091596
0.00058848 -0.00657901 0.00018823
-17.55677012 0.51471779 3.79699599
-0.00090849 0.00031413 -0.00030129
0.01887147 0.00820780 0.00188195
3.07784766 -21.39260836 12.00407313
-0.00020722 -0.00099475 0.00052090
0.00667541 -0.02398728 -0.00939968
3.94199748 -19.25225332 14.12947183
0.00033897 0.00072995 -0.00129736
-0.02005960 -0.01478480 -0.03040778
8.81630322 18.70111936 1.08167695
-0.00062327 0.00034057 -0.00000951
-0.01264611 0.01219486 0.00363658
8.62025753 21.64419841 2.13733498
-0.00064009 -0.00051491 0.00077228
-0.02361168 0.00553027 0.01432305
-11.34257481 11.81135049 16.76594474
-0.00023831 0.00059785 0.00092784
-0.00504588 0.01381063 -0.02462750
-12.59528782 14.26514325 15.81862340
-0.00010046 -0.00012314 -0.00016902
-0.00083363 -0.01239678 -0.01233426
-5.12592191 0.19277332 -13.33275045
0.00041961 -0.00022767 -0.00071494
0.00378205 -0.00855961 -0.00643767
-6.60122617 0.66786186 -10.97720186
0.00013229 0.00047142 -0.00031589
-0.01841911 -0.02783154 0.06202410
-6.94619655 6.23763795 -5.03228169
-0.00027690 -0.00030350 -0.00004258
-0.00673399 0.02178493 -0.01707091
-9.10070719 8.10775506 -5.36450157
0.00044071 0.00017914 0.00000906
0.00682108 -0.00032313 -0.00368746
-7.94032319 -3.00323016 19.10164844
0.00083289 -0.00036370 -0.00026468
0.00044989 -0.02715605 -0.01943793
-8.33236834 -6.02824103 18.56293684
-0.00094980 0.00033231 0.00046515
0.01132362 0.03058789 -0.00810241
-23.64486518 -3.62879836 -23.50857421
-0.00065011 -0.00033861 0.00037408
-0.00100077 0.02706549 -0.01326312
-23.00480861 -4.98632458 -21.01468600
-0.00000201 0.00064073 -0.00043129
-0.00384977 0.00379143 -0.01369470
7.15147121 13.24260767 4.34040544
0.00024723 0.00014788 0.00036816
-0.00674074 0.00731490 -0.01035884
8.21565327 11.95954753 6.54909663
0.00046870 -0.00036156 0.00090499
-0.01566908 0.00064846 0.00579217
24.94410352 28.88326989 -2.31774586
0.00015286 -0.00052788 -0.00004952
-0.00067201 0.00123591 -0.00581988
24.09911631 31.59291475 -1.60514870
-0.00004526 0.00000703 -0.00029208
0.00511490 -0.00837160 -0.02283318
9.12074955 -1.93282683 -15.60995075
-0.00052018 0.00120353 -0.00097260
-0.00608325 0.01357513 0.01530933
7.80210798 -2.12278953 -13.19986654
-0.00098675 -0.00071270 -0.00125464
-0.00820656 -0.01776879 0.02968146
-7.68466786 -0.02570451 15.88267496
0.00091178 0.00131062 0.00018806
0.01475444 0.00112101 -0.01950451
-8.84899595 -2.09366787 14.46214504
0.00046979 -0.00027796 -0.00024004
0.02872970 0.01242609 -0.01445059
-2.27518676 -26.76636532 12.88678234
0.00093416 -0.00013727 -0.00042539
-0.01140251 -0.00074906 -0.00094800
-3.05145804 -25.92174399 9.93720699
0.00048429 -0.00014972 -0.00035934
0.01453775 -0.00533034 0.02033898
-14.74057575 -2.84160698 -6.31162416
0.00020289 0.00036846 -0.00031332
0.01337572 -0.00816357 -0.00607311
-14.51330185 -4.69032009 -8.70768804
0.00048766 0.00017190 -0.00019127
-0.00299441 0.00447982 -0.00636454
-19.39543125 -10.95877081 -16.90501047
-0.00100564 -0.00006088 -0.00004150
-0.01445620 -0.04237073 -0.01591791
-18.29536092 -13.33047365 -18.00270466
-0.00020008 -0.00063745 0.00016990
0.00072462 -0.01056686 -0.00660766
24.12168880 3.70172439 1.80997932
-0.00008805 -0.00030422 -0.00042073
0.00575459 -0.01510647 -0.02376062
22.92932118 5.13218439 3.84162662
-0.00056491 -0.00025683 0.00055176
-0.00884640 0.00416205 0.01428489
16.27437087 -9.92144714 -13.04479250
0.00042828 0.00052179 -0.00025499
0.02874699 -0.00256467 -0.04030190
17.02412022 -10.12401271 -16.11271129
0.00003288 0.00016507 0.00062258
-0.00480277 0.00764673 0.00940087
-0.24332480 1.91867829 -7.87399918
0.00093610 -0.00086884 0.00029839
-0.00879488 -0.00156951 0.00563425
-2.28317845 -0.05046083 -6.96452868
0.00010259 0.00022575 -0.00019439
0.00039354 0.00308327 -0.01512284
-5.28391181 -4.18243224 -16.72973984
0.00112274 -0.00042301 0.00036774
0.00588401 0.01214535 0.00791026
-4.02852841 -1.51978283 -16.72949805
-0.00103273 0.00010973 -0.00068302
-0.00076185 -0.00904867 -0.00206905
12.41203416 18.89390225 -20.38072075
0.00014998 0.00033463 0.00057932
0.01669189 -0.00677027 0.00448232
12.07691326 16.16739883 -20.19287392
0.00092941 -0.00063383 -0.00016037
-0.00767232 -0.02104803 -0.00342532
-15.35808600 15.69665128 -13.80896937
0.00049434 -0.00022417 -0.00124664
0.00091861 0.00684809 0.02297831
-17.41034977 14.99210833 -12.08005937
0.00071626 0.00012581 0.00027838
0.01705363 0.02282052 0.00492970
2.30588388 15.07182973 5.81156764
-0.00023845 -0.00021524 -0.00005003
0.02380952 -0.00968256 -0.01427626
0.68796784 15.87252562 7.78156916
-0.00070729 0.00059804 -0.00033767
0.00588146 -0.01340920 0.01978492
-5.80123478 -8.11201847 1.47542963
0.00082672 -0.00090150 0.00144412
0.00978239 -0.01725700 0.00876230
-3.63579560 -10.19400193 1.84882638
-0.00001576 -0.00072285 0.00005123
0.00009508 0.01396029 -0.00757108
3.04586305 -4.57118116 2.93667766
0.00134267 -0.00141511 0.00000329
-0.00593371 -0.05964040 -0.00130761
4.55027419 -6.71911516 1.61590172
0.00039693 -0.00063421 0.00058460
-0.00512551 -0.01002702 0.00715061
9.31055234 5.86157486 3.57648015
0.00051939 0.00037488 -0.00088601
0.02342596 -0.00969532 0.02068019
12.04108773 6.39236794 4.71028798
0.00016043 0.00035063 -0.00000803
0.00440486 0.00228531 0.00056180
-7.35156976 -10.86304232 -2.55097164
-0.00085849 0.00109809 -0.00035201
0.00532885 0.00078463 -0.01030049
-9.52477646 -9.44249743 -1.41012860
0.00066902 -0.00060928 -0.00029090
0.00584646 0.00372764 -0.02547753
4.38568023 -16.05274623 -14.47573748
0.00005982 0.00136469 -0.00131936
0.00942397 -0.00755087 0.00512748
3.63283062 -17.17624841 -11.72529571
-0.00067568 -0.00116204 0.00102262
-0.00893628 0.01682061 -0.03210827
5.63397820 -6.89673012 -6.12288808
-0.00049210 -0.00062636 0.00031869
0.00750004 0.00842005 0.01226296
4.94550499 -8.23671300 -3.45258878
0.00000156 -0.00012271 0.00099375
0.00392070 0.00599572 -0.03256040
16.96144144 1.97145221 24.74489232
0.00004998 0.00029984 0.00012263
-0.00722321 -0.01925480 0.00050525
19.63872788 2.47473824 24.33414879
0.00006778 -0.00006405 -0.00012093
0.01491403 -0.00892171 0.00945403
-9.82769709 4.00997843 2.30021499
-0.00008809 -0.00022284 -0.00022676
-0.00143664 -0.00565314 0.00606124
-7.20752933 4.28609809 0.95331689
0.00027668 -0.00108507 -0.00010692
-0.01360240 0.00091419 -0.00174713
-6.28086092 14.13503256 -9.05785093
-0.00008730 -0.00004153 -0.00002268
0.01569683 0.00391487 0.01909997
-9.15100557 13.57652675 -9.44075474
0.00079796 -0.00011569 -0.00022712
0.03335884 0.01303990 -0.01542865
0.52146385 10.77338449 -7.74622356
0.00011253 -0.00071484 -0.00018461
-0.00547759 -0.00157388 -0.01107414
2.91001056 12.17552621 -7.70212291
0.00055894 -0.00074916 -0.00120084
-0.00773106 -0.00030607 -0.01695589
-10.06401191 9.10225998 -13.68159015
0.00020665 0.00005133 0.00040274
-0.02947219 0.01792086 -0.00513072
-12.66396712 9.74880637 -12.32774671
0.00057576 -0.00048717 -0.00080947
0.02464254 0.00843389 -0.03873760
7.23819800 6.36651751 14.47519008
-0.00098706 -0.00013202 -0.00027949
-0.01791114 -0.01135989 0.01722221
7.37693327 4.28538361 12.96347765
0.00030583 -0.00147950 -0.00003918
-0.00210766 -0.02383863 -0.00290182
-13.71064056 10.47555174 -8.48886297
-0.00077975 -0.00049529 0.00020314
-0.01537331 0.00101064 0.00298848
-16.34153482 9.83299798 -9.94657124
-0.00009700 -0.00064166 0.00058111
0.01754461 -0.01420057 0.02084552
8.14269936 9.85875109 -2.53384039
-0.00027212 -0.00052444 -0.00009107
-0.00206700 0.02694115 0.02113737
7.77676829 8.41581248 -4.76779310
0.00024516 -0.00063472 -0.00162777
-0.00674295 -0.01073355 -0.00560929
12.02849811 -19.98127638 -26.26874476
0.00014350 0.00045160 0.00038328
0.02574657 -0.00819514 -0.00179601
13.82734903 -20.37910315 -24.04346093
0.00049527 -0.00088035 -0.00039252
0.00116433 0.00294035 -0.01512282
5.97918372 4.80448099 2.05537383
0.00039852 -0.00008226 -0.00043713
-0.00100587 0.03626405 0.03183849
6.52814608 7.22936695 0.84764795
0.00061048 0.00042919 -0.00023314
0.00364151 0.02135824 -0.01040164
20.41672593 -6.41282601 -5.73288242
-0.00085611 0.00026292 -0.00017876
-0.02085950 0.00534160 -0.00755622
17.67912795 -5.19065557 -5.54962915
-0.00087044 0.00073402 0.00011446
-0.00935751 0.00588369 0.00606865
-2.23576214 0.42249273 -1.06602121
0.00054582 0.00019519 0.00029952
-0.02854951 0.01437922 0.03441205
-2.28540068 0.97991749 -4.02955576
0.00131994 0.00011014 0.00042342
0.00778342 0.00737254 0.00534607
3.57594519 -3.06097122 -12.21675341
0.00007301 0.00079161 -0.00010287
0.03799435 -0.03102060 -0.00349695
0.70677547 -2.86998191 -11.52646170
0.00004155 -0.00038849 0.00027641
0.02531103 0.02852890 -0.00516318
19.08248428 8.36955859 -6.64586239
0.00014717 0.00012212 -0.00002924
0.02375316 0.01734559 0.01962273
21.65018926 8.50286970 -4.99650440
0.00006677 -0.00087923 -0.00044446
-0.01322832 0.00581262 -0.00070558
-7.17959476 4.59984431 9.14507294
0.00064031 -0.00013875 0.00083807
-0.00142926 -0.00412030 0.00279468
-7.97931499 6.32845219 11.40024056
-0.00110557 0.00019532 0.00083496
0.00610596 0.00081902 -0.03687073
-3.11346486 -16.24906661 10.91599971
0.00085243 -0.00027814 -0.00113776
0.01676341 0.00499873 0.00488553
-4.21814636 -13.78601554 11.41151311
0.00023418 0.00012407 -0.00069435
0.01498722 0.00136750 -0.00050929
8.65449388 0.59163266 -3.12291893
0.00026375 0.00000363 -0.00020258
-0.01251124 -0.00570459 -0.03493686
7.85119952 1.71504280 -5.87070568
-0.00015861 0.00032305 -0.00078021
-0.00294211 0.02148722 0.00129690
0.75407685 -10.89421102 1.79178220
-0.00116280 -0.00073197 0.00071607
-0.00208175 0.00425467 -0.00571006
0.02504636 -8.49920163 0.17338472
-0.00014497 -0.00064169 -0.00086418
0.00401212 0.00475573 -0.00374021
-20.25750087 -1.50239165 6.60321989
-0.00013417 -0.00004377 -0.00044182
0.00213685 0.00552296 0.01288151
-21.32744772 0.23442594 4.48621206
-0.00081752 0.00082590 -0.00007905
-0.01655784 0.02351583 -0.00302331
-3.79645908 8.33443547 -25.14840295
0.00044278 0.00068189 0.00119631
0.02763989 0.03241693 -0.02710654
-4.54393034 8.77337334 -22.23483632
0.00034532 0.00016413 0.00035918
0.00887708 0.01406183 -0.00069653
4.33869749 1.46422464 -0.90505107
0.00043379 0.00091156 -0.00029212
-0.03177468 -0.00482006 -0.00973545
1.23502275 1.04846439 -1.54054211
-0.00028238 -0.00029328 0.00025238
0.01060370 -0.00825214 -0.00999001
15.64828348 7.72888724 6.37306377
-0.00040735 0.00009989 0.00054177
0.00020550 -0.01067441 -0.01876470
15.93990136 9.07195419 3.78884916
-0.00018455 -0.00064730 -0.00043274
-0.01588339 -0.04312683 0.01312957
-0.26813573 -11.82190476 -13.15858780
0.00020688 -0.00000642 0.00021921
0.01033228 0.00048991 -0.00080425
-13.94868834 14.42383548 22.26292025
-0.00001567 -0.00013437 0.00016428
0.00131251 -0.00020410 0.00249139
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03112292
0.29744845
396.33514396
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1368307193
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2655479059 (a.u.)
total exchange computation time: 2.7664301395 s
-153.9250602387
-931.33321084
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1368307193
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.2663144696 (a.u.)
total exchange computation time: 2.7658891678 s
-153.9204695783
Anderson extrapolation: theta=1.3823376585 (1.3823376585)
-931.33347170
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1368307193
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.2673486541 (a.u.)
total exchange computation time: 2.7660930157 s
-153.9144581950
Anderson extrapolation: theta=0.0647698159 (0.0647698159)
-931.33363791
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1368307193
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2673812622 (a.u.)
total exchange computation time: 2.7683229446 s
-153.9144599814
Anderson extrapolation: theta=2.2887900206 (2.0000000000)
-931.33364714
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1368307193
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.2674190836 (a.u.)
total exchange computation time: 2.7660939693 s
-153.9146124560
Anderson extrapolation: theta=0.3969849080 (0.3969849080)
-931.33365943
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1368307193
ExchangeOperator: bisection time: 1.420 s
total exchange = -52.2674191786 (a.u.)
total exchange computation time: 2.7657198906 s
-153.9146946418
Anderson extrapolation: theta=1.0882639232 (1.0882639232)
-931.33366297
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1368307193
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.2674173510 (a.u.)
total exchange computation time: 2.7666120529 s
-153.9147002447
Anderson extrapolation: theta=0.4962616949 (0.4962616949)
-931.33366585
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1368307193
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.2674184868 (a.u.)
total exchange computation time: 2.7655708790 s
-153.9146085662
Anderson extrapolation: theta=0.7778289864 (0.7778289864)
-931.33366696
-164.475192 49.560295 -203.774321
-132.525030 460.690982 -801.718245
-297.000223 510.251277 -1005.492566
1166.010634
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566860465
ExchangeOperator: pair fraction: ispin=0: 0.1368307193
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.2674216355 (a.u.)
total exchange computation time: 2.7665140629 s
677.27678730
-1080.45358706
89.98854858
-391.32108255
-174.55691220
76.52668499
551.60419304
0.00000000
-931.33366758
-10.87556776 -4.32266939 6.67207579
0.00007900 -0.00015653 -0.00008171
-0.00928946 -0.00073722 -0.03397959
-13.89213887 3.71649268 9.23459147
0.00019436 0.00028216 -0.00019101
0.00804136 0.00618240 -0.00966096
-15.94675249 1.48844925 3.41394196
-0.00002727 0.00028951 -0.00022102
-0.02027248 0.00401834 0.00310191
2.66598624 -19.84131288 12.81706593
0.00023023 0.00016613 0.00015703
0.00562134 0.03760703 0.03414097
9.57313990 20.36913138 1.30390672
0.00009138 -0.00001740 0.00023700
0.02838359 -0.01769009 -0.02320940
-12.12561388 12.55482711 15.20518988
-0.00004878 0.00005822 0.00006999
0.02063946 0.00753172 0.03350656
-6.17006543 1.38352865 -12.49806556
0.00011732 -0.00011203 -0.00025823
0.01325749 0.04033935 -0.05780628
-7.45693511 7.72236401 -6.09342250
-0.00016365 -0.00016554 -0.00029460
-0.00195156 -0.02937097 0.01392370
-7.78085127 -4.36810618 17.80791705
-0.00007442 -0.00007524 0.00007890
-0.00667654 -0.01324500 0.03053077
-23.62276658 -5.24105913 -22.74109324
-0.00021826 -0.00038521 -0.00028534
0.00255838 -0.02677943 0.02709401
6.60205565 12.75998126 6.00841130
0.00006328 0.00001658 -0.00026478
0.03225896 -0.01202089 0.00604839
24.80988748 30.57076223 -3.03135704
0.00010118 0.00027049 -0.00016349
-0.01132785 -0.00015027 0.02546269
7.92997794 -0.94186019 -14.50597934
0.00007258 0.00017571 0.00014598
0.01120776 0.00399127 -0.03828262
-7.42707438 -0.86676695 14.20657786
-0.00043109 0.00003459 -0.00035694
-0.03519541 -0.00706061 0.02466215
-1.69459443 -26.17994254 11.21400941
0.00009209 0.00004729 -0.00019551
-0.00516027 0.00301209 -0.02896262
-14.00176402 -4.42473308 -6.97634655
0.00010646 0.00005282 0.00004432
-0.00886553 -0.00290156 0.00409895
-19.96569853 -12.67599515 -17.65211497
0.00025907 0.00011179 0.00022562
0.00795956 0.05572751 0.01991194
22.80676926 3.51679831 3.03012814
0.00015760 0.00010454 0.00017698
-0.00733538 0.01875744 0.01815479
17.61888353 -10.41615976 -14.39737453
-0.00027735 -0.00036822 -0.00003496
-0.02142513 0.00492811 0.03668632
-1.92926712 1.74064203 -7.03712094
0.00007023 -0.00019043 -0.00004228
0.00689909 0.00217747 -0.00955720
-4.36763525 -2.98962150 -15.65607762
-0.00029535 0.00003810 -0.00010642
0.00187017 0.00263532 -0.00845005
13.41191629 17.34315754 -19.86983517
-0.00001247 0.00017948 0.00024089
-0.00049067 0.02583362 -0.00985577
-15.90965101 16.16390471 -12.04928619
0.00046308 0.00019110 0.00028256
-0.00977969 -0.02644995 -0.03047888
2.11204720 14.68454031 7.58781326
0.00041886 0.00024648 0.00003607
-0.04749914 0.01865543 0.00182180
-5.37259323 -9.73324462 2.30527800
-0.00009146 -0.00006613 0.00015147
0.00279014 -0.00522203 0.00348791
3.04267299 -6.56641970 2.72286905
-0.00012276 0.00013062 0.00026492
0.01144917 0.07345467 -0.00960338
10.83438128 5.04131135 4.41521059
-0.00022152 0.00034698 -0.00002278
-0.03693490 0.02257087 -0.00969126
-8.53423726 -9.53488188 -3.02389177
0.00000956 0.00017375 -0.00036770
-0.02105437 -0.00251154 0.03574617
3.20444539 -15.93256727 -13.11774480
0.00008943 0.00011994 0.00011119
-0.00495333 -0.00914868 0.02660030
4.75715278 -8.27980261 -5.32284416
-0.00012000 0.00035749 0.00031162
-0.01682207 -0.01943166 0.02760064
18.53549831 1.01912171 24.59945520
-0.00009221 0.00021737 -0.00022751
-0.01123905 0.01923725 -0.00091592
-8.61209364 3.11468891 1.19971992
-0.00017491 0.00007775 0.00004523
0.02922012 -0.00779266 -0.02087386
-7.54702840 14.20863078 -10.30348124
0.00030607 -0.00012606 0.00037224
-0.04715684 -0.01860927 -0.00970643
1.70033569 11.47378175 -8.97643031
0.00006049 0.00023410 0.00027142
0.00899986 0.00363085 0.02278366
-11.61807926 10.19576237 -13.91154540
0.00015877 0.00020603 -0.00000414
0.00638511 -0.03169437 0.04485393
6.81016036 4.51525459 14.71734822
-0.00023226 0.00041967 -0.00013197
0.02364155 0.01679679 -0.02378683
-14.90652818 9.09142286 -8.96975315
-0.00021669 -0.00016598 0.00015437
-0.00444550 0.01468884 -0.02323200
8.47093381 8.20541935 -3.09962036
-0.00001205 0.00004928 0.00010504
0.00649292 -0.01657961 -0.02044726
13.81233127 -20.47132963 -25.94063801
0.00004637 -0.00002765 -0.00012314
-0.02876969 0.01133898 0.02073507
6.14659504 6.71953086 2.54082783
-0.00021772 0.00016519 -0.00022952
0.00336733 -0.06074440 -0.02693029
18.94266307 -5.81536594 -6.71186191
-0.00019702 -0.00017535 -0.00016407
0.01948176 -0.00963112 0.00663237
-1.69129805 -0.11288493 -2.64439448
-0.00002233 -0.00029521 0.00010582
0.02229437 -0.02556066 -0.01455552
2.37503144 -1.79779994 -12.04825075
0.00010336 0.00002963 0.00016890
-0.05976438 0.00361725 0.00346220
20.01989114 9.39092987 -5.35109268
-0.00069552 0.00010764 -0.00023397
0.00903425 -0.02531687 -0.02339745
-7.63022411 6.36329104 9.51967418
-0.00025566 -0.00016629 0.00008095
-0.01002486 0.00187846 0.04653551
-2.53133203 -14.56452541 11.43120591
-0.00003000 0.00001074 -0.00003980
-0.03448405 -0.01413672 -0.00123110
8.11479081 0.20270480 -4.89268037
0.00001625 -0.00034165 0.00024031
0.00931117 -0.00601325 0.03260714
-0.15690650 -10.31128540 0.27619810
-0.00015229 -0.00030913 -0.00019962
-0.00338468 -0.02272502 0.01377677
-20.26308357 -1.15705238 4.80308239
-0.00011830 0.00015122 0.00013013
0.01556674 -0.02271400 -0.01528275
-4.54849282 7.71756783 -23.67908032
-0.00001887 -0.00002623 -0.00017681
-0.04355968 -0.04821267 0.04992764
2.62646177 2.16898958 -1.05041782
0.00034062 -0.00029223 0.00026153
0.02838404 0.01441710 0.00141276
15.48694768 7.33042711 4.53333562
-0.00004782 -0.00007530 -0.00026314
0.01428278 0.05662994 0.00903431
-9.87320044 -4.56026214 8.11466719
-0.00057820 0.00028218 0.00112566
0.01797532 -0.00287218 0.01919403
-9.80454733 -4.41216488 5.09315814
0.00110356 -0.00165029 0.00072646
-0.00709538 -0.00316531 0.02315921
-12.62881009 4.65774758 8.25049573
0.00027976 -0.00089940 -0.00059580
-0.01067079 -0.01139322 0.00787128
-13.86534011 1.96146598 8.54444876
0.00009376 0.00077271 0.00013559
0.00392852 0.00707630 0.00929283
-15.48832371 2.25682026 5.03267716
0.00015935 0.00071643 0.00090078
-0.00195916 -0.01037213 -0.00761866
-17.56981924 0.51968122 3.79253430
-0.00082557 0.00035086 -0.00029395
0.02171858 0.00977241 0.00171359
3.07494390 -21.40826460 12.01159857
-0.00018288 -0.00108230 0.00048704
0.00523869 -0.01886861 -0.00717453
3.94646726 -19.24175716 14.10907965
0.00026224 0.00067129 -0.00141375
-0.01749741 -0.01392798 -0.02656456
8.80656666 18.70660162 1.08164575
-0.00067296 0.00038940 0.00000491
-0.01167952 0.01170516 0.00342372
8.60993266 21.63664425 2.14935812
-0.00073290 -0.00049463 0.00082785
-0.02182172 0.00439720 0.01287665
-11.34630406 11.82074141 16.77910772
-0.00026035 0.00065473 0.00082286
-0.00574145 0.01403142 -0.02676143
-12.59682029 14.26291631 15.81571009
-0.00010499 -0.00017037 -0.00021896
-0.00138268 -0.01072568 -0.01210809
-5.11951182 0.18909592 -13.34367186
0.00042955 -0.00025743 -0.00073582
0.00108076 -0.00600847 -0.00378154
-6.59980626 0.67408039 -10.98003956
0.00005679 0.00035518 -0.00005954
-0.01853795 -0.02907121 0.06345993
-6.95055637 6.23375305 -5.03344352
-0.00030419 -0.00021270 -0.00011379
-0.00662335 0.02266131 -0.01778460
-9.09388748 8.11043219 -5.36447867
0.00046346 0.00017943 -0.00000420
0.00431521 0.00046683 -0.00280190
-7.92781610 -3.00951787 19.09708264
0.00083354 -0.00046881 -0.00033927
-0.00013044 -0.02429277 -0.01707447
-8.34626836 -6.02231911 18.56966582
-0.00090246 0.00045692 0.00043101
0.01184929 0.03041208 -0.00860979
-23.65464747 -3.63304810 -23.50336946
-0.00065496 -0.00022559 0.00031656
-0.00137621 0.02825515 -0.01489100
-23.00495672 -4.97659752 -21.02157498
-0.00001779 0.00065372 -0.00048705
-0.00387699 0.00256969 -0.01360000
7.15497313 13.24504999 4.34561048
0.00022305 0.00017861 0.00031987
-0.00509751 0.00772883 -0.01328106
8.22220364 11.95414396 6.56284895
0.00039626 -0.00035397 0.00092366
-0.01979298 0.00306959 0.00334977
24.94637582 28.87538962 -2.31866694
0.00014932 -0.00051172 -0.00007733
-0.00105801 0.00667500 -0.00779550
24.09859410 31.59276370 -1.61022955
-0.00002529 -0.00002574 -0.00038289
0.00465971 -0.00767173 -0.02162099
9.11276046 -1.91435794 -15.62407063
-0.00054370 0.00125702 -0.00090996
-0.00542946 0.01260777 0.01535558
7.78705522 -2.13402454 -13.21777666
-0.00102048 -0.00079021 -0.00113021
-0.00830376 -0.02017273 0.03122827
-7.67053896 -0.00601079 15.88489814
0.00096993 0.00130776 0.00009928
0.01370620 -0.00252330 -0.02395195
-8.84106869 -2.09745650 14.45810167
0.00058231 -0.00022890 -0.00029609
0.02634888 0.01158998 -0.01298854
-2.26152384 -26.76844732 12.88037242
0.00088444 -0.00014212 -0.00042480
-0.01293155 -0.00162540 0.00123802
-3.04374822 -25.92415308 9.93244012
0.00054076 -0.00017107 -0.00027735
0.01310364 -0.00512180 0.01979525
-14.73712254 -2.83633018 -6.31651011
0.00025802 0.00033381 -0.00033792
0.01361124 -0.00880156 -0.00596782
-14.50607864 -4.68760425 -8.71075209
0.00047594 0.00019008 -0.00021541
-0.00274560 0.00441502 -0.00545087
-19.41095888 -10.96098236 -16.90612074
-0.00106030 -0.00022991 -0.00010474
-0.01229907 -0.04037103 -0.01503791
-18.29833990 -13.34035920 -18.00035857
-0.00019497 -0.00067897 0.00014280
0.00177720 -0.00975977 -0.00666174
24.12054435 3.69669815 1.80294029
-0.00006663 -0.00036453 -0.00051467
0.00473250 -0.01441456 -0.02222224
22.92057640 5.12845947 3.85034070
-0.00059914 -0.00023773 0.00060970
-0.00790866 0.00518688 0.01407695
16.28167592 -9.91369884 -13.04985233
0.00054261 0.00051135 -0.00041625
0.02721991 -0.00254588 -0.03863685
17.02446627 -10.12130234 -16.10308455
0.00001042 0.00019744 0.00065178
-0.00619250 0.00819750 0.00489154
-0.22955283 1.90559763 -7.86935075
0.00089429 -0.00087398 0.00032376
-0.01166807 -0.00094754 0.00678641
-2.28162750 -0.04698007 -6.96790791
0.00010179 0.00023158 -0.00025512
-0.00078883 -0.00022827 -0.01460460
-5.26689037 -4.18840519 -16.72398137
0.00114105 -0.00038023 0.00039425
0.00307612 0.00879630 0.00506505
-4.04404277 -1.51841419 -16.73980673
-0.00103588 0.00007005 -0.00068895
-0.00077882 -0.01037579 -0.00083352
12.41479533 18.89871422 -20.37189361
0.00021605 0.00030545 0.00059773
0.01564929 -0.00751073 0.00452929
12.09061933 16.15724639 -20.19538437
0.00089688 -0.00071802 -0.00017501
-0.00825071 -0.02016261 -0.00374550
-15.35064273 15.69349856 -13.82696477
0.00049311 -0.00019288 -0.00113747
-0.00152075 0.00847025 0.03045718
-17.39908331 14.99469481 -12.07573266
0.00078400 0.00021776 0.00029861
0.01610772 0.02218654 0.00497434
2.30303667 15.06830446 5.81037979
-0.00014085 -0.00025438 -0.00010940
0.02396955 -0.00947729 -0.01479041
0.67753866 15.88108528 7.77711035
-0.00067228 0.00053480 -0.00025821
0.01125829 -0.01754694 0.01911177
-5.78853426 -8.12606982 1.49735999
0.00086157 -0.00095329 0.00146980
0.00727957 -0.00809156 0.00380706
-3.63602914 -10.20441691 1.84936282
-0.00001888 -0.00066445 0.00002130
-0.00161876 0.01462971 -0.00707761
3.06582134 -4.59423530 2.93668700
0.00131606 -0.00164551 -0.00000028
-0.00709518 -0.05314499 -0.00044130
4.55607114 -6.72893559 1.62488987
0.00037322 -0.00067600 0.00061524
-0.00648347 -0.01042969 0.00784802
9.31906101 5.86690090 3.56382370
0.00061269 0.00033608 -0.00080145
0.02224533 -0.00929508 0.02071277
12.04362912 6.39769739 4.71018476
0.00017614 0.00035691 -0.00000663
0.00328573 0.00078763 0.00012554
-7.36428379 -10.84654691 -2.55656746
-0.00082263 0.00108732 -0.00039153
0.01222399 -0.00605667 -0.00904359
-9.51456195 -9.45152243 -1.41527279
0.00068869 -0.00059169 -0.00039163
0.00377847 0.00488184 -0.02382957
4.38686637 -16.03250726 -14.49537079
0.00008863 0.00133255 -0.00128411
0.00467474 -0.00818104 0.01212754
3.62242153 -17.19316362 -11.71094037
-0.00071246 -0.00108564 0.00088010
-0.00906745 0.02058093 -0.03765242
5.62682647 -6.90586752 -6.11773192
-0.00045420 -0.00058053 0.00036342
0.01105454 0.01401360 0.00963023
4.94564846 -8.23836995 -3.43868030
0.00001751 -0.00009743 0.00085238
0.00389102 0.00637990 -0.03663883
16.96196974 1.97535981 24.74674721
0.00002013 0.00022165 0.00012477
-0.00738685 -0.01902040 0.00054520
19.64020162 2.47350405 24.33262449
0.00012967 -0.00009867 -0.00008239
0.01538240 -0.00802261 0.00941405
-9.82906251 4.00646254 2.29699933
-0.00009522 -0.00024293 -0.00019958
-0.00205456 -0.00417996 0.00724312
-7.20379596 4.26985003 0.95165956
0.00022396 -0.00107672 -0.00011408
-0.01220447 0.00317618 -0.00175748
-6.28168943 14.13452957 -9.05760580
-0.00001625 -0.00002580 0.00006207
0.01908447 0.00378425 0.02238413
-9.13801392 13.57519096 -9.44463434
0.00092745 -0.00006479 -0.00028649
0.03002700 0.01187696 -0.01363416
0.52298389 10.76261368 -7.74933206
0.00009181 -0.00071954 -0.00022889
-0.00466352 -0.00072501 -0.01060031
2.91815782 12.16427941 -7.72065506
0.00053278 -0.00074618 -0.00126051
-0.00507683 0.00176546 -0.01225467
-10.06181534 9.10357905 -13.67570620
0.00008604 0.00012555 0.00037999
-0.02956489 0.01841081 -0.00601001
-12.65457555 9.74175725 -12.34107581
0.00067096 -0.00045295 -0.00096107
0.02195882 0.00831596 -0.03546870
7.22284332 6.36418918 14.47152552
-0.00105770 -0.00017271 -0.00021205
-0.01666945 -0.00856276 0.01578892
7.38145614 4.26246055 12.96280096
0.00029642 -0.00157250 -0.00004568
-0.00249955 -0.02168356 -0.00027585
-13.72280795 10.46815331 -8.48572422
-0.00083777 -0.00048613 0.00021668
-0.01302635 0.00347644 0.00363756
-16.34245217 9.82293789 -9.93721583
-0.00003026 -0.00069674 0.00066228
0.01512274 -0.01275853 0.01888960
8.13855420 9.85171005 -2.53455872
-0.00028341 -0.00040586 -0.00000382
-0.00346108 0.03110309 0.02157024
7.78023910 8.40596272 -4.79238153
0.00022603 -0.00067868 -0.00162856
-0.00262356 -0.01078446 0.00522326
12.03143961 -19.97475352 -26.26305063
0.00024755 0.00041812 0.00037547
0.02518572 -0.00819342 -0.00202633
13.83481376 -20.39221830 -24.04981207
0.00049990 -0.00086797 -0.00045123
0.00110221 0.00311990 -0.01362060
5.98513069 4.80435837 2.04979255
0.00039381 0.00006704 -0.00030682
-0.00130099 0.03681873 0.03194846
6.53741483 7.23645930 0.84383215
0.00062433 0.00051535 -0.00027366
0.00313801 0.02081795 -0.00943580
20.40324510 -6.40871857 -5.73579538
-0.00093336 0.00028133 -0.00020433
-0.01695731 0.00367155 -0.00496212
17.66578455 -5.17946504 -5.54772632
-0.00089904 0.00075271 0.00013000
-0.00464140 0.00326921 0.00153732
-2.22844961 0.42586117 -1.06047396
0.00043061 0.00025294 0.00043569
-0.02784902 0.01389309 0.03224492
-2.26536313 0.98179557 -4.02304063
0.00134903 0.00014354 0.00044027
0.00645970 0.00897574 0.00289993
3.57820462 -3.05004757 -12.21840362
0.00023460 0.00065824 -0.00011809
0.04110591 -0.03426685 -0.00395073
0.70817428 -2.87493503 -11.52247372
0.00014554 -0.00027147 0.00025468
0.02559486 0.02875226 -0.00547294
19.08541963 8.37192195 -6.64569968
0.00023840 0.00018956 0.00004604
0.02090445 0.01566332 0.01722795
21.65078539 8.48985940 -5.00319287
0.00000205 -0.00084771 -0.00044851
-0.01845195 0.00961498 -0.00127646
-7.17003385 4.59763683 9.15772965
0.00063408 -0.00015566 0.00084921
-0.00162075 -0.00415990 0.00265576
-7.99571138 6.33140714 11.41163507
-0.00107796 0.00019863 0.00067556
0.00740827 0.00079971 -0.04115310
-3.10016473 -16.25308552 10.89908297
0.00092065 -0.00025295 -0.00111576
0.01663142 0.00733222 0.00588341
-4.21417438 -13.78411258 11.40108231
0.00029245 0.00012915 -0.00069620
0.01353770 0.00111678 -0.00039667
8.65806670 0.59151232 -3.12702821
0.00021364 -0.00001884 -0.00034106
-0.01201611 -0.00529483 -0.03285021
7.84873025 1.72054698 -5.88236907
-0.00016791 0.00039606 -0.00076448
-0.00161337 0.01425020 0.00640381
0.73657112 -10.90506023 1.80234830
-0.00117242 -0.00071178 0.00068793
-0.00262914 0.00563206 -0.00806693
0.02299479 -8.50868125 0.16030738
-0.00012783 -0.00061769 -0.00087835
0.00437869 0.00699050 -0.00319398
-20.25944794 -1.50287899 6.59698737
-0.00012576 -0.00002198 -0.00038247
0.00198194 0.00514467 0.01616802
-21.34021791 0.24753503 4.48493363
-0.00087398 0.00090798 -0.00008760
-0.01108018 0.01666360 -0.00115897
-3.78897034 8.34565724 -25.13128888
0.00056047 0.00081754 0.00107495
0.02996809 0.03398375 -0.03230149
-4.53847846 8.77626618 -22.22946993
0.00038081 0.00021458 0.00034908
0.00849479 0.01063193 -0.00424895
4.34423067 1.47775027 -0.90973123
0.00030933 0.00088784 -0.00033154
-0.02915045 -0.00678707 -0.00956123
1.23111196 1.04381229 -1.53706259
-0.00023287 -0.00032402 0.00021282
0.01363458 -0.00679557 -0.00937406
15.64217946 7.73005849 6.38061533
-0.00040698 0.00005487 0.00045590
-0.00002347 -0.01136275 -0.02327025
15.93664642 9.06092323 3.78276046
-0.00024812 -0.00081834 -0.00038002
-0.01523677 -0.04060134 0.01267637
-0.26500480 -11.82199973 -13.15530176
0.00021060 -0.00000624 0.00021893
0.01045516 0.00052315 -0.00075857
-13.94892112 14.42181961 22.26538874
-0.00001539 -0.00013442 0.00016486
0.00112228 -0.00025396 0.00249292
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03136644
0.30230113
402.80110454
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1363115197
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.2706209967 (a.u.)
total exchange computation time: 2.6534528732 s
-153.9459606689
-931.33867324
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1363115197
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.2713912655 (a.u.)
total exchange computation time: 2.6555109024 s
-153.9411008896
Anderson extrapolation: theta=1.3888260263 (1.3888260263)
-931.33893392
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1363115197
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.2724331474 (a.u.)
total exchange computation time: 2.6536841393 s
-153.9346189553
Anderson extrapolation: theta=0.0698319629 (0.0698319629)
-931.33910177
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1363115197
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.2724707260 (a.u.)
total exchange computation time: 2.6533029079 s
-153.9344991544
Anderson extrapolation: theta=2.3985663805 (2.0000000000)
-931.33911203
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1363115197
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2725223985 (a.u.)
total exchange computation time: 2.6563689709 s
-153.9343590102
Anderson extrapolation: theta=0.4502742820 (0.4502742820)
-931.33912597
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1363115197
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2725368514 (a.u.)
total exchange computation time: 2.6557130814 s
-153.9342669951
Anderson extrapolation: theta=0.8956651074 (0.8956651074)
-931.33913011
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1363115197
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.2725533549 (a.u.)
total exchange computation time: 2.6528768539 s
-153.9340758412
Anderson extrapolation: theta=0.5657753513 (0.5657753513)
-931.33913277
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1363115197
ExchangeOperator: bisection time: 1.422 s
total exchange = -52.2725699918 (a.u.)
total exchange computation time: 2.6575500965 s
-153.9338575018
Anderson extrapolation: theta=0.6742710720 (0.6742710720)
-931.33913384
-164.462893 49.479267 -203.764994
-132.484969 460.677089 -801.771367
-296.947862 510.156355 -1005.536361
1165.993531
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0565406977
ExchangeOperator: pair fraction: ispin=0: 0.1363115197
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.2725875590 (a.u.)
total exchange computation time: 2.6552908421 s
677.35687581
-1080.61166985
89.97378861
-391.21566561
-174.56987570
76.61043826
551.60419304
0.00000000
-931.33913430
-10.87441855 -4.32502012 6.67071903
0.00007513 -0.00015723 -0.00009782
-0.00576481 -0.00198877 -0.02866714
-13.88919241 3.72074893 9.23168910
0.00019820 0.00028561 -0.00019551
0.00686418 0.00723086 -0.00784502
-15.94723969 1.49280736 3.41063870
-0.00003773 0.00029206 -0.00021752
-0.02041389 0.00591164 0.01050103
2.66946142 -19.83867590 12.81955301
0.00023265 0.00018361 0.00017275
0.00379426 0.03039336 0.02701696
9.57462012 20.36880219 1.30737217
0.00010517 -0.00002580 0.00022559
0.02522242 -0.01497396 -0.02114075
-12.12626591 12.55572941 15.20636898
-0.00003798 0.00006155 0.00008748
0.02136084 0.00541410 0.03452139
-6.16825453 1.38200388 -12.50216197
0.00012463 -0.00009198 -0.00028820
0.01519225 0.03762258 -0.05876072
-7.45939745 7.71976766 -6.09778779
-0.00016406 -0.00018088 -0.00028763
0.00036308 -0.03030581 0.01317520
-7.78199328 -4.36928587 17.80921827
-0.00007770 -0.00008268 0.00009383
-0.00607389 -0.01569389 0.02754659
-23.62603064 -5.24694061 -22.74526876
-0.00021686 -0.00039874 -0.00027125
0.00289115 -0.02584040 0.02766054
6.60312927 12.76018360 6.00446297
0.00008042 0.00000977 -0.00026030
0.03438333 -0.01444822 0.01135360
24.81136144 30.57481904 -3.03371113
0.00009560 0.00026883 -0.00015039
-0.01035728 -0.00631269 0.02546647
7.93110985 -0.93920919 -14.50393732
0.00007809 0.00017841 0.00012622
0.01021237 0.00650239 -0.03853986
-7.43367653 -0.86627533 14.20131884
-0.00044814 0.00003222 -0.00034365
-0.03109213 -0.00214525 0.02702318
-1.69323305 -26.17922156 11.21096502
0.00009024 0.00004899 -0.00021059
-0.00202560 0.00358416 -0.02969410
-14.00020137 -4.42395192 -6.97566600
0.00010182 0.00005139 0.00004611
-0.00915775 -0.00267076 0.00285989
-19.96178178 -12.67410327 -17.64865381
0.00026226 0.00013947 0.00023546
0.00446168 0.05189519 0.01832867
22.80910491 3.51843870 3.03285291
0.00015394 0.00011373 0.00018584
-0.00689089 0.01701030 0.01629512
17.61464056 -10.42166410 -14.39775748
-0.00028748 -0.00036595 -0.00001550
-0.01794064 0.00390902 0.03900385
-1.92818711 1.73779402 -7.03779194
0.00007479 -0.00018855 -0.00004749
0.01085083 0.00512053 -0.01070122
-4.37205832 -2.98903983 -15.65770652
-0.00029361 0.00004070 -0.00011028
0.00491891 0.00746013 -0.00654706
13.41172741 17.34594946 -19.86625981
-0.00001239 0.00019243 0.00023589
0.00080364 0.02450049 -0.00957454
-15.90274246 16.16666911 -12.04516537
0.00045894 0.00017742 0.00026520
-0.00633351 -0.02672002 -0.03701083
2.11814686 14.68830952 7.58836131
0.00039321 0.00025693 0.00003720
-0.05225474 0.02197930 0.00257506
-5.37395442 -9.73425666 2.30756349
-0.00008891 -0.00007154 0.00015444
0.00713676 -0.01584332 0.00806243
3.04087568 -6.56417704 2.72680578
-0.00011628 0.00016629 0.00025944
0.01378346 0.06523831 -0.01169762
10.83091601 5.04660313 4.41483149
-0.00023975 0.00035876 -0.00002755
-0.03397311 0.02322858 -0.00887086
-8.53417503 -9.53228535 -3.02926931
-0.00000245 0.00017396 -0.00035022
-0.02565448 0.00335137 0.03221370
3.20576772 -15.93080348 -13.11597439
0.00008793 0.00011459 0.00012432
-0.00089059 -0.01164347 0.02445551
4.75528792 -8.27451518 -5.31806345
-0.00012951 0.00034603 0.00032726
-0.02017422 -0.02513668 0.03324648
18.53407179 1.02245647 24.59603902
-0.00009801 0.00022693 -0.00022794
-0.01129613 0.01792143 -0.00076016
-8.61460454 3.11582515 1.20031792
-0.00016017 0.00007281 0.00003425
0.02809503 -0.01141962 -0.02183761
-7.54261924 14.20666808 -10.29793510
0.00028225 -0.00013518 0.00036604
-0.04545967 -0.01683905 -0.01439036
1.70127770 11.47730726 -8.97227110
0.00006401 0.00023517 0.00028170
0.00469820 0.00052996 0.01718601
-11.61567303 10.19873056 -13.91143451
0.00016276 0.00018984 0.00001804
0.00910940 -0.03124774 0.04142026
6.80676772 4.52161442 14.71527698
-0.00022023 0.00042672 -0.00014457
0.02311591 0.01063207 -0.02523516
-14.90979566 9.08898977 -8.96752718
-0.00021877 -0.00015943 0.00014282
-0.00365323 0.01078948 -0.02170273
8.47077813 8.20609467 -3.09812359
-0.00000938 0.00003996 0.00009203
0.00387138 -0.01967436 -0.03017408
13.81291585 -20.47170064 -25.94240510
0.00003196 -0.00002191 -0.00011290
-0.02728281 0.01096804 0.01907122
6.14334220 6.72177445 2.53728116
-0.00021576 0.00013426 -0.00024399
0.00425534 -0.05955265 -0.02932072
18.93978288 -5.81803340 -6.71429738
-0.00018935 -0.00017916 -0.00016033
0.01034033 -0.00517463 0.00792173
-1.69154705 -0.11741167 -2.64286338
-0.00001091 -0.00030845 0.00009983
0.02212359 -0.02594000 -0.00871835
2.37635127 -1.79734155 -12.04570385
0.00007225 0.00003193 0.00017093
-0.06119447 0.00533976 0.00443591
20.00949321 9.39244676 -5.35469253
-0.00068877 0.00009436 -0.00024508
0.01722688 -0.02630157 -0.01979509
-7.63409771 6.36080399 9.52106791
-0.00026103 -0.00016534 0.00010569
-0.01083223 0.00181492 0.04965759
-2.53191498 -14.56441889 11.43060415
-0.00004719 0.00000297 -0.00004067
-0.03237615 -0.01607546 -0.00214962
8.11507044 0.19755692 -4.88894996
0.00002045 -0.00034294 0.00025502
0.00703141 0.00098427 0.02459625
-0.15920393 -10.31601002 0.27325690
-0.00015399 -0.00032165 -0.00019209
-0.00321414 -0.02595576 0.01551171
-20.26479803 -1.15487162 4.80497535
-0.00011169 0.00014155 0.00012098
0.01012284 -0.01489939 -0.02027617
-4.54894385 7.71698845 -23.68153986
-0.00004156 -0.00005042 -0.00014950
-0.04470117 -0.04587819 0.05627823
2.63168052 2.16466174 -1.04648942
0.00035355 -0.00028465 0.00026206
0.02191223 0.01507564 0.00064381
15.48628553 7.32951598 4.52942338
-0.00004068 -0.00004698 -0.00025720
0.01347273 0.05352740 0.01405131
-9.88132266 -4.55611748 8.13214030
-0.00051172 0.00027204 0.00119481
0.01456655 -0.00209079 0.01465369
-9.78821143 -4.43701628 5.10476471
0.00107366 -0.00166174 0.00081961
-0.00753631 -0.00243879 0.02243633
-12.62494073 4.64390741 8.24179993
0.00023973 -0.00094134 -0.00056569
-0.00892200 -0.00913351 0.00686675
-13.86381333 1.97327341 8.54676743
0.00010879 0.00079470 0.00017229
0.00342754 0.00369016 0.00866850
-15.48599356 2.26724893 5.04595543
0.00014672 0.00066709 0.00085523
-0.00422219 -0.01378244 -0.01468160
-17.58153731 0.52524356 3.78817763
-0.00073206 0.00039325 -0.00028712
0.02405782 0.01097960 0.00162930
3.07236121 -21.42507723 12.01868431
-0.00016464 -0.00114771 0.00046261
0.00368880 -0.01315383 -0.00478357
3.94986470 -19.23211460 14.08705943
0.00019733 0.00061686 -0.00151314
-0.01427562 -0.01271407 -0.02209024
8.79611430 18.71280124 1.08182437
-0.00071869 0.00043586 0.00001840
-0.01070185 0.01103943 0.00317798
8.59827042 21.62935958 2.16217042
-0.00081731 -0.00048001 0.00087674
-0.01949636 0.00275686 0.01105655
-11.35038518 11.83099226 16.79063058
-0.00028461 0.00071182 0.00071050
-0.00613493 0.01391472 -0.02824122
-12.59843749 14.26003203 15.81205471
-0.00011192 -0.00021009 -0.00026766
-0.00200910 -0.00871558 -0.01173285
-5.11303549 0.18505029 -13.35482503
0.00042839 -0.00027676 -0.00074573
-0.00164955 -0.00344963 -0.00107085
-6.59952248 0.67851725 -10.97898804
-0.00001739 0.00023673 0.00019640
-0.01777381 -0.02891159 0.06182334
-6.95532211 6.23125697 -5.03569530
-0.00033063 -0.00011966 -0.00018692
-0.00632068 0.02287964 -0.01801690
-9.08680332 8.11313794 -5.36462749
0.00047557 0.00018308 -0.00001360
0.00161229 0.00132246 -0.00180236
-7.91531701 -3.01729440 19.09147041
0.00083181 -0.00056078 -0.00040293
-0.00071787 -0.02072659 -0.01409067
-8.35944219 -6.01453335 18.57586715
-0.00085352 0.00057935 0.00039540
0.01211004 0.02951772 -0.00882273
-23.66451410 -3.63556619 -23.49907733
-0.00066132 -0.00011023 0.00025358
-0.00173372 0.02821818 -0.01593729
-23.00534243 -4.96671297 -21.02929744
-0.00003339 0.00066185 -0.00054154
-0.00375933 0.00140787 -0.01307461
7.15816263 13.24796598 4.35000157
0.00020542 0.00021117 0.00025999
-0.00352994 0.00820781 -0.01603174
8.22754098 11.94892853 6.57680655
0.00030831 -0.00033706 0.00093241
-0.02325632 0.00520569 0.00092914
24.94858327 28.86791843 -2.32006578
0.00014422 -0.00047419 -0.00011284
-0.00144240 0.01169287 -0.00958437
24.09835746 31.59214247 -1.61663548
-0.00000768 -0.00005501 -0.00046776
0.00396484 -0.00665604 -0.01992049
9.10443863 -1.89511636 -15.63724943
-0.00056367 0.00130587 -0.00084865
-0.00434607 0.01130869 0.01465470
7.77149357 -2.14649587 -13.23377292
-0.00105429 -0.00087522 -0.00100264
-0.00824701 -0.02143877 0.03121995
-7.65557006 0.01352829 15.88565340
0.00102335 0.00129056 -0.00000624
0.01244714 -0.00589405 -0.02770024
-8.83152660 -2.10053482 14.45326228
0.00068373 -0.00018453 -0.00034589
0.02329409 0.01012848 -0.01138883
-2.24865345 -26.77062894 12.87403837
0.00082878 -0.00015045 -0.00041569
-0.01431541 -0.00245000 0.00321900
-3.03523533 -25.92687606 9.92888642
0.00059038 -0.00019138 -0.00019861
0.01118857 -0.00481862 0.01875197
-14.73283514 -2.83159279 -6.32176181
0.00031377 0.00029723 -0.00036177
0.01368085 -0.00910241 -0.00570533
-14.49902370 -4.68461783 -8.71415021
0.00046535 0.00020799 -0.00023543
-0.00243808 0.00435640 -0.00435074
-19.42724028 -10.96566808 -16.90815263
-0.00110535 -0.00038846 -0.00016344
-0.00975320 -0.03723921 -0.01369781
-18.30120997 -13.35084289 -17.99842076
-0.00018598 -0.00071704 0.00011558
0.00262518 -0.00887168 -0.00666233
24.11968993 3.69078849 1.79453934
-0.00005026 -0.00042196 -0.00060134
0.00327877 -0.01369759 -0.02020618
22.91134694 5.12505244 3.85991750
-0.00062944 -0.00021496 0.00066636
-0.00692297 0.00595888 0.01365973
16.29064917 -9.90610656 -13.05728007
0.00064949 0.00050142 -0.00056926
0.02509718 -0.00231628 -0.03626340
17.02443281 -10.11808959 -16.09315802
-0.00001761 0.00023211 0.00066231
-0.00752852 0.00877363 0.00026313
-0.21649596 1.89245890 -7.86428640
0.00084138 -0.00087641 0.00035346
-0.01423296 -0.00024101 0.00775209
-2.28012490 -0.04351329 -6.97218220
0.00009610 0.00022379 -0.00031368
-0.00199327 -0.00358802 -0.01406166
-5.24968040 -4.19383905 -16.71791248
0.00114766 -0.00035184 0.00040866
0.00016339 0.00509855 0.00199111
-4.05960486 -1.51768145 -16.75016648
-0.00103898 0.00002532 -0.00069003
-0.00073931 -0.01151778 0.00030373
12.41851558 18.90306588 -20.36278889
0.00027740 0.00027373 0.00061613
0.01438198 -0.00801925 0.00447756
12.10381975 16.14585827 -20.19812436
0.00086319 -0.00079729 -0.00019066
-0.00824301 -0.01864355 -0.00391203
-15.34329266 15.69086495 -13.84309356
0.00048281 -0.00015563 -0.00100038
-0.00351976 0.00976475 0.03665235
-17.38682966 14.99864101 -12.07110109
0.00084666 0.00030607 0.00031898
0.01456179 0.02104534 0.00499562
2.30165847 15.06419837 5.80828550
-0.00004298 -0.00029276 -0.00016976
0.02393864 -0.00931125 -0.01475154
0.66779945 15.88856955 7.77382282
-0.00061659 0.00045595 -0.00018157
0.01600063 -0.02105087 0.01840579
-5.77538759 -8.14061708 1.51952367
0.00088575 -0.00096533 0.00147445
0.00455616 0.00219410 -0.00152913
-3.63636188 -10.21393529 1.84946551
-0.00002880 -0.00060349 -0.00000655
-0.00323876 0.01520788 -0.00655743
3.08534479 -4.62054650 2.93666929
0.00128505 -0.00184553 0.00000011
-0.00808293 -0.04476567 0.00063090
4.56147075 -6.73939522 1.63435900
0.00034434 -0.00071944 0.00064839
-0.00765392 -0.01083305 0.00837984
9.32893301 5.87165728 3.55243665
0.00069999 0.00029954 -0.00071749
0.02048782 -0.00859089 0.02038789
12.04637188 6.40307510 4.71008923
0.00018714 0.00035692 -0.00000700
0.00209865 -0.00078123 -0.00031098
-7.37624866 -10.83042270 -2.56271753
-0.00075832 0.00104821 -0.00042563
0.01925571 -0.01308931 -0.00764919
-9.50411586 -9.46024825 -1.42187739
0.00069924 -0.00056944 -0.00048430
0.00138752 0.00600962 -0.02153508
4.38833901 -16.01276967 -14.51426085
0.00009856 0.00129767 -0.00122093
0.00018909 -0.00889250 0.01879821
3.61145673 -17.20881750 -11.69889260
-0.00074918 -0.00099546 0.00071718
-0.00890746 0.02355945 -0.04209760
5.62035223 -6.91414609 -6.11198556
-0.00040195 -0.00051225 0.00039731
0.01452143 0.01941354 0.00696272
4.94603040 -8.23963590 -3.42701729
0.00003344 -0.00007063 0.00069657
0.00390403 0.00673741 -0.03963315
16.96204532 1.97810172 24.74863551
-0.00001051 0.00014479 0.00012703
-0.00760896 -0.01860304 0.00056106
19.64261808 2.47177818 24.33167714
0.00019323 -0.00012950 -0.00004395
0.01573149 -0.00706772 0.00939998
-9.83055384 4.00269048 2.29422757
-0.00010467 -0.00025720 -0.00016779
-0.00257080 -0.00280475 0.00831851
-7.20081055 4.25379662 0.94989452
0.00017751 -0.00105885 -0.00012138
-0.01053466 0.00556766 -0.00181588
-6.28134832 14.13425850 -9.05598883
0.00006693 -0.00001049 0.00015848
0.02162881 0.00371188 0.02480877
-9.12318203 13.57458305 -9.44934954
0.00104145 -0.00001939 -0.00033758
0.02577487 0.01034480 -0.01137508
0.52421812 10.75179844 -7.75309022
0.00007451 -0.00072075 -0.00027109
-0.00380655 0.00013171 -0.01005799
2.92599395 12.15314080 -7.73993825
0.00051846 -0.00073447 -0.00130018
-0.00193027 0.00396873 -0.00716314
-10.06143070 9.10602645 -13.67019059
-0.00003351 0.00020090 0.00035374
-0.02895820 0.01847386 -0.00683585
-12.64383822 9.73521777 -12.35657866
0.00075426 -0.00041975 -0.00109836
0.01881585 0.00793667 -0.03173994
7.20646703 6.36133607 14.46882861
-0.00112293 -0.00020124 -0.00015082
-0.01526295 -0.00539852 0.01418437
7.38582582 4.23820859 12.96210736
0.00028529 -0.00165613 -0.00004115
-0.00294714 -0.01925298 0.00249308
-13.73577368 10.46096794 -8.48236254
-0.00088594 -0.00046665 0.00023308
-0.01055501 0.00605514 0.00438946
-16.34244270 9.81209589 -9.92670274
0.00002513 -0.00074526 0.00073462
0.01199408 -0.01099294 0.01651882
8.13419692 9.84657520 -2.53395510
-0.00029984 -0.00027305 0.00008396
-0.00457786 0.03390827 0.02140072
7.78354912 8.39545202 -4.81664984
0.00022287 -0.00072218 -0.00158658
0.00107844 -0.01050910 0.01532429
12.03592465 -19.96873280 -26.25748068
0.00034776 0.00038506 0.00036649
0.02386509 -0.00798882 -0.00236685
13.84234605 -20.40514223 -24.05699796
0.00050430 -0.00085489 -0.00050302
0.00105115 0.00328081 -0.01173107
5.99099792 4.80649223 2.04616927
0.00038781 0.00021732 -0.00017668
-0.00163221 0.03674217 0.03175739
6.54687591 7.24482750 0.83943807
0.00063529 0.00059812 -0.00030692
0.00222666 0.01969604 -0.00684233
20.38872503 -6.40438613 -5.73901245
-0.00099341 0.00029245 -0.00021845
-0.01243507 0.00177122 -0.00194588
17.65215670 -5.16807415 -5.54572928
-0.00090863 0.00076068 0.00012729
-0.00005062 0.00063221 -0.00286067
-2.22284385 0.43008106 -1.05295055
0.00031938 0.00030749 0.00055985
-0.02659803 0.01280954 0.02853436
-2.24492969 0.98422374 -4.01634776
0.00137288 0.00018334 0.00044717
0.00521488 0.01050568 0.00047957
3.58298327 -3.04122400 -12.22029596
0.00040542 0.00051511 -0.00013470
0.04251236 -0.03579905 -0.00418322
0.71114170 -2.87812604 -11.51882115
0.00025015 -0.00015410 0.00023183
0.02561336 0.02870274 -0.00571256
19.08963614 8.37524525 -6.64448114
0.00031696 0.00024901 0.00011013
0.01755450 0.01344056 0.01414297
21.65025066 8.47743838 -5.00995957
-0.00008242 -0.00080143 -0.00045449
-0.02289354 0.01304081 -0.00165152
-7.16057227 4.59517441 9.17054913
0.00062701 -0.00017236 0.00085981
-0.00184053 -0.00401509 0.00253425
-8.01165376 6.33441109 11.42050746
-0.00104542 0.00020181 0.00050104
0.00852047 0.00075695 -0.04427962
-3.08584531 -16.25665506 10.88252681
0.00098796 -0.00021889 -0.00108986
0.01631425 0.00933979 0.00679870
-4.20937272 -13.78214119 11.39062720
0.00034400 0.00013348 -0.00069766
0.01169558 0.00100523 -0.00032127
8.66090310 0.59106749 -3.13315076
0.00016626 -0.00003923 -0.00046898
-0.01117947 -0.00468733 -0.02976884
7.84616211 1.72692450 -5.89363999
-0.00017187 0.00043984 -0.00072808
-0.00032455 0.00718168 0.01141408
0.71890427 -10.91556427 1.81242000
-0.00118396 -0.00068611 0.00065052
-0.00301809 0.00693331 -0.01024352
0.02121157 -8.51773245 0.14703430
-0.00010930 -0.00058524 -0.00089028
0.00468905 0.00889646 -0.00264804
-20.26127355 -1.50305103 6.59174572
-0.00011801 -0.00000164 -0.00031057
0.00181109 0.00481214 0.01902690
-21.35366717 0.26166536 4.48358417
-0.00090767 0.00096171 -0.00008846
-0.00540929 0.00963878 0.00073858
-3.77964498 8.35896175 -25.11615444
0.00068561 0.00095782 0.00093648
0.03128973 0.03468138 -0.03548150
-4.53250598 8.77981063 -22.22436394
0.00041456 0.00025109 0.00032482
0.00802571 0.00723951 -0.00762674
4.34797733 1.49085994 -0.91499736
0.00019733 0.00085570 -0.00037014
-0.02567401 -0.00894837 -0.00933364
1.22803679 1.03874371 -1.53415757
-0.00017168 -0.00034895 0.00017565
0.01631375 -0.00540546 -0.00882134
15.63607399 7.73053337 6.38674074
-0.00040739 0.00000738 0.00035325
-0.00017506 -0.01188310 -0.02697913
15.93245768 9.04740396 3.77744865
-0.00030846 -0.00097697 -0.00033013
-0.01429644 -0.03704629 0.01174337
-0.26181774 -11.82209190 -13.15201979
0.00021436 -0.00000604 0.00021867
0.01058196 0.00056523 -0.00071388
-13.94914999 14.41980285 22.26786592
-0.00001515 -0.00013449 0.00016544
0.00092649 -0.00031535 0.00251142
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03149067
0.30764364
409.91972304
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1360519200
ExchangeOperator: bisection time: 1.421 s
total exchange = -52.2780769125 (a.u.)
total exchange computation time: 2.6891779900 s
-153.9751584939
-931.34345099
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1360519200
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.2788804802 (a.u.)
total exchange computation time: 2.6853859425 s
-153.9703017031
Anderson extrapolation: theta=1.4035059617 (1.4035059617)
-931.34371255
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1360519200
ExchangeOperator: bisection time: 1.423 s
total exchange = -52.2800110148 (a.u.)
total exchange computation time: 2.6847379208 s
-153.9637070163
Anderson extrapolation: theta=0.0750821533 (0.0750821533)
-931.34388513
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1360519200
ExchangeOperator: bisection time: 1.424 s
total exchange = -52.2800844694 (a.u.)
total exchange computation time: 2.6878900528 s
-153.9635199026
Anderson extrapolation: theta=2.5018260285 (2.0000000000)
-931.34389708
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1360519200
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.2802174214 (a.u.)
total exchange computation time: 2.6846449375 s
-153.9632503809
Anderson extrapolation: theta=0.5087748850 (0.5087748850)
-931.34391428
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1360519200
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.2802791807 (a.u.)
total exchange computation time: 2.6841499805 s
-153.9630912633
Anderson extrapolation: theta=0.7809125183 (0.7809125183)
-931.34392006
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1360519200
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.2803282821 (a.u.)
total exchange computation time: 2.6833338737 s
-153.9628770294
Anderson extrapolation: theta=0.6332551264 (0.6332551264)
-931.34392344
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1360519200
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.2803621823 (a.u.)
total exchange computation time: 2.6839740276 s
-153.9626491776
Anderson extrapolation: theta=0.5905125232 (0.5905125232)
-931.34392497
-164.446174 5.025805 -203.766870
-132.442652 460.663851 -801.827211
-296.888826 465.689656 -1005.594082
1147.270364
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1360519200
ExchangeOperator: bisection time: 1.425 s
total exchange = -52.2803836845 (a.u.)
total exchange computation time: 2.6860988140 s
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1360519200
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.2803836845 (a.u.)
total exchange computation time: 2.6849300861 s
[qbox] save md174.xml
SampleWriter: write time: 1.600 s
SampleWriter: file size: 1595163516
SampleWriter: aggregate write rate: 951.03 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: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1360519200
ExchangeOperator: bisection time: 1.399 s
total exchange = -52.2803836845 (a.u.)
total exchange computation time: 2.6849348545 s
677.48738434
-1080.87164374
89.95403270
-391.04179925
-174.59151599
76.74797265
551.60419304
0.00000000
-931.34392561
-10.87331381 -4.32738618 6.66914111
0.00007312 -0.00015859 -0.00011093
-0.00205982 -0.00330128 -0.02229768
-13.88619299 3.72506097 9.22872621
0.00020134 0.00028961 -0.00019900
0.00538049 0.00831752 -0.00572047
-15.94788437 1.49721108 3.40741644
-0.00004821 0.00029554 -0.00021047
-0.02035832 0.00761842 0.01691285
2.67296587 -19.83580444 12.82224851
0.00023396 0.00019721 0.00018466
0.00128048 0.02246220 0.01928695
9.57629492 20.36835748 1.31067452
0.00011720 -0.00003266 0.00021537
0.02156979 -0.01170306 -0.01860447
-12.12675314 12.55667349 15.20781441
-0.00002687 0.00006379 0.00010530
0.02182946 0.00331927 0.03475542
-6.16632643 1.38076935 -12.50671169
0.00013271 -0.00007364 -0.00031790
0.01619671 0.03369900 -0.05671274
-7.46185699 7.71693751 -6.10205145
-0.00016332 -0.00019656 -0.00028118
0.00254157 -0.03065643 0.01193183
-7.78318214 -4.37058663 17.81073200
-0.00008060 -0.00009136 0.00010700
-0.00521870 -0.01806723 0.02367625
-23.62927239 -5.25302144 -22.74923088
-0.00021533 -0.00041149 -0.00025713
0.00305086 -0.02372187 0.02724752
6.60446814 12.76027447 6.00060223
0.00009853 0.00000182 -0.00025324
0.03603543 -0.01647498 0.01610421
24.81275550 30.57882716 -3.03586875
0.00009057 0.00026407 -0.00013747
-0.00919513 -0.01221208 0.02475774
7.93232055 -0.93650802 -14.50219262
0.00008302 0.00018200 0.00010688
0.00897394 0.00747407 -0.03668897
-7.44051854 -0.86580026 14.19626829
-0.00046287 0.00003247 -0.00032936
-0.02618694 0.00311644 0.02854906
-1.69188730 -26.17847294 11.20769156
0.00009007 0.00005093 -0.00022585
0.00135570 0.00396160 -0.02961755
-13.99870937 -4.42319137 -6.97496339
0.00009706 0.00004999 0.00004718
-0.00936345 -0.00277983 0.00133508
-19.95783062 -12.67181104 -17.64505126
0.00026367 0.00016485 0.00024434
0.00099263 0.04680547 0.01621546
22.81138740 3.52021031 3.03570339
0.00015059 0.00012209 0.00019369
-0.00612683 0.01548585 0.01424131
17.61025919 -10.42713827 -14.39783952
-0.00029568 -0.00036429 0.00000494
-0.01394760 0.00256246 0.04048531
-1.92702338 1.73498551 -7.03854550
0.00008130 -0.00018520 -0.00005323
0.01444107 0.00791580 -0.01162192
-4.37644345 -2.98840061 -15.65938594
-0.00029031 0.00004578 -0.00011310
0.00789847 0.01229973 -0.00440978
13.41154472 17.34893039 -19.86275833
-0.00001172 0.00020446 0.00023102
0.00180188 0.02227093 -0.00937297
-15.89588277 16.16922737 -12.04133007
0.00045661 0.00016382 0.00024480
-0.00272974 -0.02618894 -0.04233425
2.12384338 14.69224830 7.58892923
0.00036533 0.00026894 0.00003859
-0.05614992 0.02470394 0.00281911
-5.37526055 -9.73539093 2.30991119
-0.00008414 -0.00008261 0.00015982
0.01142373 -0.02718543 0.01287433
3.03918471 -6.56143108 2.73065226
-0.00010868 0.00019719 0.00025288
0.01576476 0.05492477 -0.01381053
10.82718864 5.05207411 4.41438396
-0.00025631 0.00037080 -0.00003181
-0.03040653 0.02358794 -0.00768685
-8.53431072 -9.52966297 -3.03439834
-0.00001671 0.00017718 -0.00033472
-0.02979768 0.00915240 0.02804148
3.20708318 -15.92912951 -13.11401531
0.00008835 0.00010817 0.00013621
0.00254237 -0.01333140 0.02180138
4.75326742 -8.26942167 -5.31302624
-0.00014070 0.00033177 0.00034550
-0.02333026 -0.03032143 0.03766382
18.53255814 1.02592948 24.59261698
-0.00010378 0.00023576 -0.00022830
-0.01115334 0.01644169 -0.00065041
-8.61689870 3.11687329 1.20074744
-0.00014610 0.00006602 0.00002283
0.02660030 -0.01500086 -0.02258291
-7.53856078 14.20457547 -10.29249999
0.00025981 -0.00014329 0.00035758
-0.04182468 -0.01471856 -0.01851330
1.70225597 11.48083686 -8.96797930
0.00006520 0.00023463 0.00028901
-0.00005361 -0.00263334 0.01123283
-11.61319653 10.20145768 -13.91100408
0.00016811 0.00017409 0.00003818
0.01170567 -0.02999587 0.03686520
6.80355342 4.52805627 14.71301105
-0.00020849 0.00043045 -0.00015789
0.02253460 0.00386542 -0.02656422
-14.91309133 9.08663991 -8.96546863
-0.00022034 -0.00015500 0.00013214
-0.00245940 0.00645152 -0.01981850
8.47065231 8.20661820 -3.09685961
-0.00000797 0.00002938 0.00007436
0.00163394 -0.02146242 -0.03850726
13.81328995 -20.47198702 -25.94402505
0.00001839 -0.00001634 -0.00010360
-0.02545975 0.01069432 0.01710213
6.14012218 6.72355861 2.53350828
-0.00021329 0.00010420 -0.00025970
0.00534272 -0.05733723 -0.03177826
18.93698247 -5.82074077 -6.71667174
-0.00018645 -0.00018065 -0.00015608
0.00095182 -0.00060739 0.00858617
-1.69162538 -0.12213852 -2.64139955
0.00000030 -0.00032172 0.00009715
0.02145869 -0.02563746 -0.00171576
2.37719899 -1.79684196 -12.04312272
0.00004097 0.00003473 0.00017338
-0.06044191 0.00552460 0.00506028
19.99922818 9.39376074 -5.35844510
-0.00067792 0.00008080 -0.00025421
0.02495953 -0.02642133 -0.01570280
-7.63805488 6.35833094 9.52284473
-0.00026674 -0.00016447 0.00013173
-0.01138211 0.00154025 0.05164038
-2.53274771 -14.56443639 11.42998581
-0.00006316 -0.00000574 -0.00004197
-0.02974461 -0.01777481 -0.00291811
8.11540432 0.19241663 -4.88502979
0.00002337 -0.00034080 0.00026546
0.00431116 0.00732261 0.01598787
-0.16152616 -10.32093488 0.27043536
-0.00015563 -0.00033569 -0.00018374
-0.00315921 -0.02865511 0.01696650
-20.26643440 -1.15280581 4.80671189
-0.00010787 0.00013583 0.00010943
0.00475526 -0.00735284 -0.02465754
-4.54973972 7.71605513 -23.68356523
-0.00006451 -0.00007318 -0.00011958
-0.04454560 -0.04261136 0.06007166
2.63706831 2.16045020 -1.04255606
0.00036302 -0.00027667 0.00026220
0.01490622 0.01593696 -0.00010189
15.48572732 7.32901779 4.52561954
-0.00003406 -0.00002057 -0.00024876
0.01228237 0.04917974 0.01879907
-9.88855215 -4.55210094 8.15051148
-0.00045987 0.00026518 0.00124396
0.01081711 -0.00126492 0.00940698
-9.77233740 -4.46201715 5.11774631
0.00104236 -0.00167026 0.00090920
-0.00778921 -0.00172951 0.02142291
-12.62161817 4.62950748 8.23352496
0.00020749 -0.00097362 -0.00054014
-0.00685928 -0.00666957 0.00563896
-13.86207648 1.98530699 8.54961736
0.00012170 0.00080227 0.00020623
0.00289075 0.00001635 0.00794699
-15.48392216 2.27683292 5.05833392
0.00012543 0.00060475 0.00078256
-0.00620056 -0.01673370 -0.02088752
-17.59178096 0.53147881 3.78392081
-0.00063004 0.00043994 -0.00028054
0.02588031 0.01187539 0.00158929
3.07000458 -21.44269601 12.02547689
-0.00015277 -0.00118916 0.00044799
0.00212183 -0.00713616 -0.00237147
3.95238724 -19.22325124 14.06368538
0.00014695 0.00056813 -0.00159308
-0.01038457 -0.01114067 -0.01703815
8.78500608 18.71967743 1.08219775
-0.00076039 0.00047930 0.00003075
-0.00971134 0.01022338 0.00286688
8.58541332 21.62224386 2.17566034
-0.00089131 -0.00047282 0.00091734
-0.01672778 0.00076336 0.00881731
-11.35484229 11.84209590 16.80042266
-0.00030984 0.00076778 0.00059341
-0.00621785 0.01347842 -0.02907382
-12.60017783 14.25661361 15.80768028
-0.00012155 -0.00024096 -0.00031460
-0.00270424 -0.00639716 -0.01124322
-5.10666025 0.18079325 -13.36604382
0.00041625 -0.00028583 -0.00074467
-0.00429228 -0.00099332 0.00159181
-6.60032798 0.68118223 -10.97414760
-0.00008675 0.00012158 0.00043968
-0.01617907 -0.02745569 0.05726305
-6.96047523 6.23016311 -5.03905127
-0.00035532 -0.00002704 -0.00026008
-0.00576726 0.02245991 -0.01779266
-9.07962034 8.11592473 -5.36488676
0.00047659 0.00019036 -0.00001887
-0.00111322 0.00223996 -0.00077339
-7.90286191 -3.02634118 19.08499461
0.00082774 -0.00063682 -0.00045323
-0.00127373 -0.01649652 -0.01053144
-8.37187384 -6.00493857 18.58152776
-0.00080407 0.00069666 0.00035953
0.01209165 0.02790754 -0.00873528
-23.67448699 -3.63635490 -23.49576193
-0.00066907 0.00000248 0.00018749
-0.00206268 0.02695256 -0.01641585
-23.00595853 -4.95674214 -21.03782120
-0.00004822 0.00066539 -0.00059305
-0.00349570 0.00032499 -0.01214163
7.16113580 13.25138500 4.35341013
0.00019410 0.00024534 0.00018983
-0.00201328 0.00852016 -0.01830951
8.23145303 11.94403212 6.59082110
0.00020747 -0.00031193 0.00093145
-0.02610867 0.00709752 -0.00139805
24.95070232 28.86116385 -2.32205200
0.00013762 -0.00041736 -0.00015508
-0.00178790 0.01612789 -0.01109626
24.09836382 31.59111333 -1.62426225
0.00000665 -0.00007953 -0.00054469
0.00304806 -0.00534668 -0.01774020
9.09585043 -1.87518171 -15.64953010
-0.00057907 0.00134912 -0.00078996
-0.00319395 0.00985941 0.01407175
7.75542648 -2.16028109 -13.24785582
-0.00108740 -0.00096239 -0.00087802
-0.00795868 -0.02123032 0.02978056
-7.63983833 0.03270615 15.88471101
0.00107133 0.00126025 -0.00012555
0.01103868 -0.00894709 -0.03070206
-8.82055690 -2.10299241 14.44772491
0.00077138 -0.00014743 -0.00038891
0.01961110 0.00803048 -0.00966872
-2.23666039 -26.77296071 12.86790161
0.00076780 -0.00016197 -0.00039907
-0.01553411 -0.00319134 0.00491754
-3.02603674 -25.92989436 9.92648196
0.00063125 -0.00021027 -0.00012511
0.00881716 -0.00442881 0.01722489
-14.72770930 -2.82741325 -6.32736316
0.00036945 0.00026022 -0.00038419
0.01357110 -0.00901695 -0.00527074
-14.49211819 -4.68136442 -8.71781497
0.00045611 0.00022569 -0.00025067
-0.00208191 0.00430665 -0.00311029
-19.44411941 -10.97263606 -16.91102400
-0.00113948 -0.00053196 -0.00021572
-0.00695164 -0.03300418 -0.01189355
-18.30391915 -13.36187029 -17.99689126
-0.00017415 -0.00075121 0.00008847
0.00316163 -0.00785860 -0.00660704
24.11903647 3.68403937 1.78490003
-0.00004052 -0.00047639 -0.00067901
0.00149246 -0.01294746 -0.01781361
22.90169319 5.12201061 3.87033146
-0.00065564 -0.00018961 0.00072086
-0.00590416 0.00645084 0.01302025
16.30116053 -9.89865625 -13.06693025
0.00074643 0.00049295 -0.00071104
0.02235648 -0.00182810 -0.03313500
17.02393795 -10.11433913 -16.08321537
-0.00005085 0.00026913 0.00065404
-0.00874327 0.00934970 -0.00431080
-0.20431137 1.87930540 -7.85874696
0.00077871 -0.00087581 0.00038670
-0.01644325 0.00053523 0.00851961
-2.27874446 -0.04026642 -6.97731828
0.00008551 0.00020243 -0.00037000
-0.00319030 -0.00686680 -0.01350760
-5.23246042 -4.19896044 -16.71172156
0.00114238 -0.00033904 0.00041027
-0.00274941 0.00116769 -0.00120500
-4.07521226 -1.51765458 -16.76050763
-0.00104180 -0.00002362 -0.00068673
-0.00063929 -0.01243896 0.00131123
12.42311725 18.90692607 -20.35340976
0.00033316 0.00024041 0.00063409
0.01291315 -0.00828952 0.00431684
12.11651499 16.13332755 -20.20110410
0.00083065 -0.00086911 -0.00020667
-0.00768626 -0.01651278 -0.00392685
-15.33615830 15.68882978 -13.85697607
0.00046521 -0.00011369 -0.00084042
-0.00510003 0.01076530 0.04164939
-17.37368359 15.00387700 -12.06616336
0.00090181 0.00038874 0.00033942
0.01243340 0.01942305 0.00501221
2.30174737 15.05952163 5.80528714
0.00005438 -0.00033051 -0.00022885
0.02371693 -0.00916746 -0.01417686
0.65904086 15.89476369 7.77166331
-0.00054294 0.00036413 -0.00010785
0.02005334 -0.02389553 0.01767808
-5.76196170 -8.15502986 1.54159364
0.00089857 -0.00093365 0.00145687
0.00171708 0.01331476 -0.00707730
-3.63689312 -10.22252163 1.84916632
-0.00004500 -0.00054041 -0.00003227
-0.00469389 0.01567160 -0.00603291
3.10437287 -4.64960122 2.93669025
0.00125044 -0.00200707 0.00000531
-0.00885858 -0.03430783 0.00191503
4.56640127 -6.75051876 1.64434169
0.00031100 -0.00076451 0.00068339
-0.00866484 -0.01123148 0.00874867
9.34006063 5.87588716 3.54229909
0.00077902 0.00026650 -0.00063566
0.01819854 -0.00758118 0.01966484
12.04924326 6.40840494 4.70997464
0.00019327 0.00035047 -0.00000916
0.00090307 -0.00237650 -0.00074308
-7.38703342 -10.81510067 -2.56933639
-0.00066558 0.00098061 -0.00045398
0.02614311 -0.01999937 -0.00622556
-9.49358474 -9.46860576 -1.42980180
0.00069945 -0.00054269 -0.00056635
-0.00128634 0.00708470 -0.01862998
4.38982324 -15.99357707 -14.53199883
0.00009098 0.00125973 -0.00113152
-0.00389858 -0.00968150 0.02497074
3.59994603 -17.22302751 -11.68942484
-0.00078474 -0.00089460 0.00053818
-0.00849736 0.02581321 -0.04552654
5.61476796 -6.92123488 -6.10581249
-0.00033605 -0.00042280 0.00042056
0.01773838 0.02436811 0.00441727
4.94665160 -8.24048894 -3.41778323
0.00004949 -0.00004246 0.00053075
0.00395258 0.00705339 -0.04153464
16.96165458 1.97970352 24.75055819
-0.00004213 0.00006998 0.00012930
-0.00787361 -0.01801773 0.00054868
19.64599866 2.46961915 24.33130588
0.00025794 -0.00015638 -0.00000551
0.01594132 -0.00609373 0.00941994
-9.83220273 3.99874653 2.29196561
-0.00011593 -0.00026612 -0.00013191
-0.00294010 -0.00156131 0.00924448
-7.19847077 4.23808443 0.94801819
0.00013833 -0.00103107 -0.00012903
-0.00864122 0.00803432 -0.00192701
-6.27968167 14.13421492 -9.05285143
0.00015844 0.00000466 0.00026273
0.02316822 0.00370551 0.02622323
-9.10677049 13.57460914 -9.45476186
0.00113611 0.00001890 -0.00037851
0.02056193 0.00839890 -0.00866056
0.52521906 10.74099127 -7.75746479
0.00006075 -0.00071847 -0.00031091
-0.00292486 0.00098319 -0.00943446
2.93371177 12.14224542 -7.75966045
0.00051787 -0.00071359 -0.00131847
0.00163691 0.00624840 -0.00178865
-10.06282079 9.10960604 -13.66509391
-0.00014899 0.00027551 0.00032438
-0.02756849 0.01804670 -0.00753538
-12.63194773 9.72916470 -12.37402673
0.00082274 -0.00038898 -0.00121736
0.01470711 0.00712552 -0.02650809
7.18915534 6.35815211 14.46700101
-0.00118215 -0.00021611 -0.00009649
-0.01372587 -0.00188152 0.01240954
7.39001488 4.21277669 12.96156655
0.00027225 -0.00172931 -0.00002519
-0.00343630 -0.01656948 0.00531765
-13.74938628 10.45415367 -8.47873185
-0.00092372 -0.00043639 0.00025255
-0.00793803 0.00876180 0.00514315
-16.34169816 9.80058017 -9.91517728
0.00006653 -0.00078597 0.00079630
0.00827114 -0.00893525 0.01367595
8.12955908 9.84351846 -2.53203991
-0.00032024 -0.00013176 0.00016992
-0.00540950 0.03525647 0.02067557
7.78692524 8.38429726 -4.83997899
0.00023374 -0.00076396 -0.00150547
0.00424250 -0.00994165 0.02438164
12.04187229 -19.96320168 -26.25205578
0.00044462 0.00035360 0.00035649
0.02355242 -0.00741151 -0.00253205
13.84994276 -20.41786510 -24.06490280
0.00050873 -0.00084118 -0.00054655
0.00111844 0.00343069 -0.00957735
5.99676513 4.81087788 2.04449228
0.00038038 0.00036579 -0.00004806
-0.00200561 0.03593467 0.03120106
6.55647344 7.25440279 0.83462464
0.00064243 0.00067587 -0.00032886
0.00127215 0.01836375 -0.00390111
20.37344285 -6.39994513 -5.74234878
-0.00103395 0.00029543 -0.00021950
-0.00740838 -0.00031000 0.00142850
17.63852575 -5.15664452 -5.54390756
-0.00090002 0.00075801 0.00010719
0.00426600 -0.00194157 -0.00698044
-2.21886818 0.43508600 -1.04367838
0.00021412 0.00035659 0.00066624
-0.02492665 0.01122432 0.02354430
-2.22417665 0.98729577 -4.00962551
0.00139189 0.00022910 0.00044447
0.00408745 0.01189470 -0.00180143
3.59036734 -3.03459441 -12.22244468
0.00057824 0.00036943 -0.00015173
0.04208205 -0.03551114 -0.00415076
0.71567886 -2.87955797 -11.51551869
0.00035433 -0.00003746 0.00020815
0.02538347 0.02839136 -0.00588079
19.09492850 8.37939227 -6.64239584
0.00038091 0.00029832 0.00016024
0.01374931 0.01069678 0.01038534
21.64831288 8.46581657 -5.01682749
-0.00018336 -0.00074199 -0.00046163
-0.02651724 0.01605498 -0.00184361
-7.15122349 4.59246592 9.18352392
0.00061898 -0.00018811 0.00086994
-0.00208938 -0.00369096 0.00242701
-8.02707394 6.33746144 11.42666612
-0.00100877 0.00020481 0.00031602
0.00941891 0.00070929 -0.04628808
-3.07052606 -16.25965221 10.86638731
0.00105360 -0.00017737 -0.00106042
0.01581839 0.01098570 0.00761118
-4.20385428 -13.78010818 11.38015240
0.00038731 0.00013763 -0.00069891
0.00950370 0.00102602 -0.00028876
8.66305436 0.59033539 -3.14109773
0.00012241 -0.00005702 -0.00058270
-0.01028328 -0.00402193 -0.02589671
7.84357408 1.73374216 -5.90421138
-0.00017084 0.00045540 -0.00067172
0.00083230 0.00043442 0.01617466
0.70105245 -10.92564340 1.82186393
-0.00119673 -0.00065533 0.00060469
-0.00323389 0.00812919 -0.01218972
0.01971572 -8.52623841 0.13359893
-0.00008964 -0.00054585 -0.00089998
0.00493623 0.01038242 -0.00209713
-20.26298817 -1.50292816 6.58767015
-0.00011098 0.00001749 -0.00022812
0.00162761 0.00455359 0.02133496
-21.36744794 0.27638643 4.48227998
-0.00091834 0.00098708 -0.00008167
0.00018740 0.00277680 0.00258029
-3.76840199 8.37439175 -25.10319453
0.00081369 0.00109880 0.00078957
0.03140636 0.03432859 -0.03642999
-4.52604162 8.78379875 -22.21972537
0.00044623 0.00027404 0.00028744
0.00747870 0.00399663 -0.01067252
4.35015053 1.50342121 -0.92083551
0.00010113 0.00081448 -0.00040776
-0.02141724 -0.01122651 -0.00907868
1.22596141 1.03334385 -1.53179317
-0.00009991 -0.00036824 0.00014072
0.01882106 -0.00403698 -0.00827704
15.62995780 7.73027998 6.39121270
-0.00040824 -0.00004188 0.00023710
-0.00024135 -0.01223205 -0.02987711
15.92739276 9.03161427 3.77285655
-0.00036432 -0.00111889 -0.00028511
-0.01304825 -0.03242807 0.01029609
-0.25857387 -11.82218103 -13.14874166
0.00021818 -0.00000583 0.00021842
0.01071792 0.00061699 -0.00066982
-13.94937563 14.41778500 22.27035184
-0.00001496 -0.00013457 0.00016602
0.00072674 -0.00041435 0.00249593
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03078077
0.31314484
417.24979911
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1360519200
ExchangeOperator: bisection time: 1.430 s
total exchange = -52.2901854776 (a.u.)
total exchange computation time: 2.6830770969 s
-154.0133465370
-931.34877807
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1360519200
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.2907999276 (a.u.)
total exchange computation time: 2.6830010414 s
-154.0093207645
Anderson extrapolation: theta=1.3824032460 (1.3824032460)
-931.34902645
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1360519200
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.2915695245 (a.u.)
total exchange computation time: 2.6821610928 s
-154.0042897319
Anderson extrapolation: theta=0.0663138530 (0.0663138530)
-931.34918344
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1360519200
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.2915433678 (a.u.)
total exchange computation time: 2.6829941273 s
-154.0045066399
Anderson extrapolation: theta=2.3306295453 (2.0000000000)
-931.34919209
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1360519200
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.2914456222 (a.u.)
total exchange computation time: 2.6827199459 s
-154.0051648681
Anderson extrapolation: theta=0.4104890049 (0.4104890049)
-931.34920325
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1360519200
ExchangeOperator: bisection time: 1.430 s
total exchange = -52.2913831695 (a.u.)
total exchange computation time: 2.6838331223 s
-154.0054911122
Anderson extrapolation: theta=0.9841284246 (0.9841284246)
-931.34920619
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1360519200
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.2913209003 (a.u.)
total exchange computation time: 2.6822969913 s
-154.0057341011
Anderson extrapolation: theta=0.5113873948 (0.5113873948)
-931.34920814
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1360519200
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.2912955580 (a.u.)
total exchange computation time: 2.6826319695 s
-154.0057552876
Anderson extrapolation: theta=0.7269164701 (0.7269164701)
-931.34920880
-164.421505 4.951633 -203.777803
-132.398188 460.651792 -801.885635
-296.819693 465.603425 -1005.663438
1147.278271
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1360519200
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.2912848889 (a.u.)
total exchange computation time: 2.6825659275 s
677.65752936
-1081.22126075
89.93185726
-390.80638224
-174.61966781
76.93677561
551.60419304
0.00000000
-931.34920907
-10.87222497 -4.32977772 6.66739116
0.00007300 -0.00016060 -0.00012058
0.00157893 -0.00453435 -0.01522154
-13.88315207 3.72943718 9.22571919
0.00020367 0.00029418 -0.00020132
0.00364281 0.00945714 -0.00331493
-15.94868612 1.50167357 3.40432467
-0.00005861 0.00029985 -0.00020037
-0.02006992 0.00913116 0.02236168
2.67648020 -19.83275970 12.82509280
0.00023378 0.00020660 0.00019247
-0.00199195 0.01405193 0.01110264
9.57813612 20.36782248 1.31383335
0.00012725 -0.00003772 0.00020653
0.01751231 -0.00800395 -0.01579368
-12.12707196 12.55764317 15.20952796
-0.00001560 0.00006496 0.00012303
0.02198813 0.00123749 0.03420085
-6.16427337 1.37979480 -12.51169894
0.00014106 -0.00005756 -0.00034583
0.01628114 0.02880543 -0.05189466
-7.46429692 7.71387086 -6.10622305
-0.00016151 -0.00021225 -0.00027548
0.00446009 -0.03034289 0.01022732
-7.78441127 -4.37202678 17.81242839
-0.00008300 -0.00010122 0.00011796
-0.00411366 -0.02026997 0.01893054
-23.63249061 -5.25928527 -22.75298280
-0.00021377 -0.00042285 -0.00024347
0.00301491 -0.02046629 0.02587987
6.60608502 12.76023825 5.99686573
0.00011733 -0.00000705 -0.00024393
0.03707808 -0.01803561 0.02008567
24.81407862 30.58274106 -3.03783537
0.00008619 0.00025637 -0.00012512
-0.00784888 -0.01771471 0.02328723
7.93360048 -0.93374919 -14.50073096
0.00008718 0.00018583 0.00008891
0.00717993 0.00741772 -0.03317017
-7.44756258 -0.86530115 14.19143800
-0.00047487 0.00003551 -0.00031451
-0.02050022 0.00871461 0.02921226
-1.69053108 -26.17769376 11.20418961
0.00009168 0.00005301 -0.00024083
0.00493444 0.00411950 -0.02863807
-13.99728961 -4.42245227 -6.97425048
0.00009222 0.00004843 0.00004741
-0.00943919 -0.00326720 -0.00043911
-19.95387179 -12.66915772 -17.64132361
0.00026330 0.00018726 0.00025199
-0.00239909 0.04031501 0.01353830
22.81362263 3.52210140 3.03866374
0.00014769 0.00012971 0.00020046
-0.00514431 0.01416303 0.01206599
17.60577022 -10.43259268 -14.39760923
-0.00030169 -0.00036341 0.00002585
-0.00944423 0.00086316 0.04083044
-1.92574825 1.73223807 -7.03938872
0.00008953 -0.00018048 -0.00005937
0.01757382 0.01043625 -0.01228771
-4.38076765 -2.98766650 -15.66109938
-0.00028553 0.00005330 -0.00011478
0.01067627 0.01696839 -0.00212460
13.41137594 17.35208313 -19.85932915
-0.00001059 0.00021511 0.00022624
0.00255972 0.01914371 -0.00920980
-15.88904414 16.17158360 -12.03782137
0.00045618 0.00015068 0.00022196
0.00106193 -0.02488624 -0.04649532
2.12910672 14.69637766 7.58951889
0.00033570 0.00028217 0.00003997
-0.05908399 0.02676868 0.00257811
-5.37647856 -9.73673492 2.31235820
-0.00007723 -0.00009957 0.00016768
0.01543010 -0.03875208 0.01768251
3.03761537 -6.55826140 2.73439220
-0.00010019 0.00022218 0.00024522
0.01723435 0.04225867 -0.01597055
10.82322670 5.05772706 4.41387712
-0.00027088 0.00038292 -0.00003536
-0.02624185 0.02357137 -0.00612056
-8.53467629 -9.52696998 -3.03931103
-0.00003290 0.00018327 -0.00032150
-0.03315058 0.01452137 0.02336392
3.20841825 -15.92755839 -13.11188804
0.00009037 0.00010108 0.00014666
0.00528932 -0.01425245 0.01883243
4.75106694 -8.26456208 -5.30769847
-0.00015340 0.00031505 0.00036563
-0.02607401 -0.03468883 0.04063169
18.53095844 1.02952934 24.58918991
-0.00010943 0.00024380 -0.00022862
-0.01080840 0.01482994 -0.00058708
-8.61898765 3.11780571 1.20100275
-0.00013290 0.00005742 0.00001108
0.02473284 -0.01842183 -0.02309004
-7.53482499 14.20236931 -10.28720770
0.00023978 -0.00015021 0.00034717
-0.03607629 -0.01219493 -0.02198233
1.70323381 11.48434615 -8.96360085
0.00006387 0.00023247 0.00029319
-0.00511457 -0.00577860 0.00502953
-11.61062972 10.20395340 -13.91028925
0.00017481 0.00015923 0.00005570
0.01435320 -0.02781510 0.03126779
6.80051296 4.53452795 14.71054019
-0.00019707 0.00043058 -0.00017184
0.02187576 -0.00338127 -0.02767792
-14.91640598 9.08433982 -8.96356297
-0.00022115 -0.00015286 0.00012253
-0.00066397 0.00184852 -0.01757134
8.47053910 8.20697616 -3.09589269
-0.00000765 0.00001823 0.00005290
-0.00039978 -0.02189425 -0.04496960
13.81346764 -20.47219091 -25.94551307
0.00000603 -0.00001106 -0.00009539
-0.02262320 0.00984904 0.01481985
6.13694338 6.72490043 2.52949025
-0.00021025 0.00007555 -0.00027662
0.00651371 -0.05407134 -0.03404300
18.93418940 -5.82345282 -6.71897986
-0.00018837 -0.00017979 -0.00015166
-0.00843048 0.00395146 0.00860355
-1.69153816 -0.12706317 -2.63994894
0.00001103 -0.00033467 0.00009824
0.02027989 -0.02472420 0.00597237
2.37758043 -1.79629975 -12.04050255
0.00001066 0.00003723 0.00017604
-0.05742135 0.00421551 0.00528963
19.98915571 9.39487089 -5.36231880
-0.00066323 0.00006741 -0.00026111
0.03216363 -0.02564596 -0.01114171
-7.64209986 6.35586978 9.52501995
-0.00027266 -0.00016380 0.00015849
-0.01163729 0.00107197 0.05242029
-2.53380990 -14.56459101 11.42934496
-0.00007765 -0.00001524 -0.00004362
-0.02660476 -0.01917279 -0.00350138
8.11577145 0.18733283 -4.88098628
0.00002484 -0.00033563 0.00027129
0.00142631 0.01279090 0.00669505
-0.16387277 -10.32608081 0.26774472
-0.00015727 -0.00035095 -0.00017473
-0.00323748 -0.03067170 0.01807555
-20.26803408 -1.15079672 4.80825821
-0.00010673 0.00013385 0.00009584
-0.00034234 -0.00033324 -0.02820228
-4.55087926 7.71479308 -23.68512716
-0.00008701 -0.00009399 -0.00008842
-0.04292657 -0.03831604 0.06106827
2.64257110 2.15636161 -1.03862349
0.00036875 -0.00026821 0.00026197
0.00738699 0.01694965 -0.00077687
15.48526386 7.32889902 4.52196073
-0.00002815 0.00000326 -0.00023794
0.01067632 0.04347009 0.02325672
-9.89511870 -4.54816194 8.16945917
-0.00042363 0.00026171 0.00127078
0.00692280 -0.00043785 0.00372181
-9.75694074 -4.48712401 5.13204085
0.00101038 -0.00167592 0.00099410
-0.00786146 -0.00104271 0.02013589
-12.61871599 4.61469879 8.22559558
0.00018424 -0.00099552 -0.00052004
-0.00452140 -0.00405039 0.00420403
-13.86016247 1.99734158 8.55295433
0.00013235 0.00079446 0.00023705
0.00232522 -0.00384012 0.00713766
-15.48223078 2.28539136 5.06943230
0.00009671 0.00053136 0.00068649
-0.00785713 -0.01918991 -0.02613982
-17.60043852 0.53844184 3.77976140
-0.00052161 0.00048965 -0.00027402
0.02719568 0.01245843 0.00160371
3.06777799 -21.46075214 12.03212413
-0.00014720 -0.00120591 0.00044302
0.00060413 -0.00105996 -0.00006219
3.95427335 -19.21507064 14.03926713
0.00011382 0.00052661 -0.00165136
-0.00583282 -0.00918338 -0.01149192
8.77330268 18.72718017 1.08274684
-0.00079802 0.00051914 0.00004175
-0.00870849 0.00927986 0.00251810
8.57153104 21.61517493 2.18969064
-0.00095327 -0.00047420 0.00094824
-0.01360030 -0.00143917 0.00630600
-11.35968046 11.85402557 16.80843290
-0.00033478 0.00082131 0.00047432
-0.00599063 0.01272422 -0.02921949
-12.60208390 14.25280313 15.80261679
-0.00013413 -0.00026185 -0.00035932
-0.00345292 -0.00382799 -0.01064633
-5.10054808 0.17647533 -13.37716506
0.00039367 -0.00028525 -0.00073300
-0.00675736 0.00127709 0.00411854
-6.60212504 0.68216456 -10.96579773
-0.00014816 0.00001460 0.00065915
-0.01387950 -0.02490785 0.05016876
-6.96598179 6.23044572 -5.04349768
-0.00037735 0.00006256 -0.00033137
-0.00501420 0.02139986 -0.01710651
-9.07250559 8.11884880 -5.36519344
0.00046654 0.00020141 -0.00001990
-0.00380527 0.00316778 0.00026615
-7.89048487 -3.03639896 19.07787339
0.00082146 -0.00069434 -0.00048792
-0.00180115 -0.01165904 -0.00644826
-8.38356443 -5.99363344 18.58665302
-0.00075532 0.00080592 0.00032467
0.01177218 0.02557491 -0.00832803
-23.68458629 -3.63549178 -23.49345259
-0.00067807 0.00010760 0.00012055
-0.00234354 0.02450524 -0.01635385
-23.00678888 -4.94675139 -21.04708908
-0.00006167 0.00066469 -0.00063997
-0.00309137 -0.00066706 -0.01082536
7.16398558 13.25532619 4.35569658
0.00018868 0.00028046 0.00011158
-0.00063724 0.00867037 -0.01999792
8.23376497 11.93957070 6.60474997
0.00009633 -0.00027964 0.00092122
-0.02829249 0.00870746 -0.00360709
24.95271180 28.85539769 -2.32471827
0.00012972 -0.00034374 -0.00020288
-0.00207730 0.01990924 -0.01230236
24.09855697 31.58975650 -1.63297625
0.00001680 -0.00009815 -0.00061183
0.00192051 -0.00376455 -0.01512249
9.08706650 -1.85464282 -15.66094836
-0.00058926 0.00138599 -0.00073434
-0.00179603 0.00818781 0.01315627
7.73887163 -2.17536744 -13.26011359
-0.00111881 -0.00104599 -0.00076206
-0.00741731 -0.01969496 0.02698349
-7.62343007 0.05133568 15.88188701
0.00111317 0.00121807 -0.00025572
0.00944100 -0.01169755 -0.03302037
-8.80838532 -2.10495785 14.44159498
0.00084277 -0.00012015 -0.00042463
0.01533571 0.00532502 -0.00781886
-2.22561936 -26.77548806 12.86206622
0.00070223 -0.00017629 -0.00037624
-0.01656562 -0.00381910 0.00625831
-3.01629778 -25.93318408 9.92513314
0.00066155 -0.00022740 -0.00005882
0.00601201 -0.00395836 0.01522225
-14.72175174 -2.82378633 -6.33328754
0.00042438 0.00022416 -0.00040458
0.01331862 -0.00863141 -0.00471113
-14.48534026 -4.67784708 -8.72167035
0.00044841 0.00024318 -0.00026066
-0.00168878 0.00425281 -0.00177936
-19.46142458 -10.98162674 -16.91462428
-0.00116159 -0.00065573 -0.00025962
-0.00387345 -0.02758563 -0.00959553
-18.30643457 -13.37337931 -17.99576668
-0.00016077 -0.00078099 0.00006173
0.00338939 -0.00671688 -0.00648370
24.11847446 3.67649674 1.77416899
-0.00003856 -0.00052767 -0.00074629
-0.00053412 -0.01215340 -0.01511749
22.89167760 5.11936413 3.88154338
-0.00067764 -0.00016286 0.00077229
-0.00486051 0.00664426 0.01215183
16.31304204 -9.89131796 -13.07861115
0.00083083 0.00048710 -0.00083840
0.01895665 -0.00103715 -0.02920884
17.02290725 -10.11001566 -16.07353692
-0.00008869 0.00030842 0.00062756
-0.00977736 0.00988488 -0.00865020
-0.19313452 1.86618471 -7.85268538
0.00070782 -0.00087191 0.00042264
-0.01825897 0.00137250 0.00907419
-2.27755953 -0.03744038 -6.98328219
0.00007012 0.00016813 -0.00042406
-0.00434657 -0.00992330 -0.01295661
-5.21540894 -4.20401027 -16.70560449
0.00112541 -0.00034249 0.00039882
-0.00555760 -0.00285627 -0.00440024
-4.09085883 -1.51839005 -16.77076841
-0.00104409 -0.00007581 -0.00067963
-0.00048290 -0.01310640 0.00216419
12.42851032 18.91027823 -20.34376606
0.00038249 0.00020655 0.00065118
0.01123553 -0.00828766 0.00404671
12.12873916 16.11978483 -20.20432450
0.00080136 -0.00093106 -0.00022243
-0.00664852 -0.01380911 -0.00378869
-15.32933651 15.68745438 -13.86830606
0.00044194 -0.00006822 -0.00066240
-0.00629001 0.01149137 0.04549053
-17.35977551 15.01030335 -12.06091846
0.00094709 0.00046381 0.00035992
0.00973187 0.01732335 0.00502103
2.30328979 15.05428305 5.80141993
0.00015048 -0.00036771 -0.00028457
0.02332403 -0.00904157 -0.01309682
0.65151126 15.89949336 7.77058722
-0.00045421 0.00026205 -0.00003716
0.02338024 -0.02607082 0.01692543
-5.74843058 -8.16862663 1.56322986
0.00089981 -0.00085573 0.00141668
-0.00110920 0.02482685 -0.01259815
-3.63771202 -10.23014753 1.84849740
-0.00006671 -0.00047571 -0.00005587
-0.00592861 0.01599650 -0.00551844
3.12285804 -4.68075853 2.93682857
0.00121329 -0.00212118 0.00001626
-0.00932957 -0.02155158 0.00344721
4.57080077 -6.76233064 1.65486056
0.00027395 -0.00081120 0.00071952
-0.00947311 -0.01162009 0.00894131
9.35230356 5.87965241 3.53336672
0.00084760 0.00023822 -0.00055764
0.01537276 -0.00626231 0.01853011
12.05216999 6.41358912 4.70981451
0.00019457 0.00033757 -0.00001303
-0.00026614 -0.00393781 -0.00115234
-7.39621597 -10.80100433 -2.57633679
-0.00054570 0.00088581 -0.00047670
0.03253657 -0.02640724 -0.00489663
-9.48313245 -9.47652907 -1.43886797
0.00068823 -0.00051172 -0.00063535
-0.00420250 0.00807913 -0.01514413
4.39106853 -15.97497781 -14.54820646
0.00006776 0.00121843 -0.00101825
-0.00747003 -0.01053381 0.03047825
3.58791456 -17.23565553 -11.68274722
-0.00081817 -0.00078589 0.00034707
-0.00786669 0.02740324 -0.04802144
5.61027080 -6.92683023 -6.09936869
-0.00025789 -0.00031462 0.00043402
0.02052041 0.02858797 0.00216820
4.94751504 -8.24090971 -3.41109468
0.00006581 -0.00001312 0.00035946
0.00403834 0.00730896 -0.04231446
16.96078129 1.98020109 24.75251450
-0.00007492 -0.00000210 0.00013148
-0.00817584 -0.01726741 0.00051653
19.65035623 2.46708666 24.33151193
0.00032318 -0.00017931 0.00003311
0.01599400 -0.00512771 0.00948205
-9.83403180 3.99470689 2.29027022
-0.00012838 -0.00027027 -0.00009261
-0.00315396 -0.00047123 0.00999255
-7.19666058 4.22286464 0.94602377
0.00010720 -0.00099316 -0.00013718
-0.00659945 0.01051977 -0.00206356
-6.27659513 14.13439843 -9.04810690
0.00025398 0.00001992 0.00037050
0.02360034 0.00376424 0.02652929
-9.08909879 13.57514997 -9.46070496
0.00120757 0.00004841 -0.00040742
0.01441929 0.00604994 -0.00549005
0.52604074 10.73024435 -7.76241756
0.00005064 -0.00071275 -0.00034802
-0.00202468 0.00181450 -0.00872805
2.94152991 12.13173299 -7.77949226
0.00053246 -0.00068342 -0.00131451
0.00550908 0.00852221 0.00372353
-10.06590045 9.11429165 -13.66045905
-0.00025728 0.00034744 0.00029235
-0.02544001 0.01716324 -0.00814414
-12.61915590 9.72354833 -12.39309937
0.00087307 -0.00036224 -0.00131281
0.00992919 0.00596393 -0.02021593
7.17100244 6.35485283 14.46593394
-0.00123487 -0.00021601 -0.00004971
-0.01208168 0.00193113 0.01049081
7.39399335 4.18632931 12.96135164
0.00025720 -0.00179104 0.00000227
-0.00393204 -0.01365015 0.00812517
-13.76348538 10.44787637 -8.47478595
-0.00095074 -0.00039505 0.00027517
-0.00528504 0.01147323 0.00593004
-16.34044671 9.78851684 -9.90281366
0.00009150 -0.00081777 0.00084566
0.00395226 -0.00663058 0.01048357
8.12458971 9.84262245 -2.52885759
-0.00034330 0.00001173 0.00025167
-0.00587711 0.03498070 0.01934182
7.79056136 8.37253321 -4.86181388
0.00025641 -0.00080295 -0.00138970
0.00685212 -0.00914467 0.03228902
12.04926336 -19.95812479 -26.24678607
0.00053518 0.00032457 0.00034500
0.02077343 -0.00679930 -0.00309058
13.85760801 -20.43037771 -24.07339461
0.00051324 -0.00082693 -0.00058047
0.00108676 0.00354647 -0.00702521
6.00240942 4.81746582 2.04472748
0.00037140 0.00050949 0.00007759
-0.00239344 0.03440960 0.03030339
6.56614895 7.26510353 0.82957214
0.00064545 0.00074772 -0.00033835
0.00020376 0.01680732 -0.00074426
20.35770664 -6.39552313 -5.74559756
-0.00105322 0.00028967 -0.00020622
-0.00202688 -0.00251312 0.00507289
17.62515624 -5.14533388 -5.54251364
-0.00087456 0.00074508 0.00007104
0.00819655 -0.00438810 -0.01071434
-2.21642017 0.44077884 -1.03296326
0.00011633 0.00039836 0.00075035
-0.02294492 0.00922158 0.01762466
-2.20317311 0.99109677 -4.00301366
0.00140660 0.00028006 0.00043292
0.00311741 0.01304839 -0.00385005
3.60033046 -3.03014117 -12.22484778
0.00074548 0.00022856 -0.00016805
0.03978555 -0.03344423 -0.00383840
0.72177168 -2.87924990 -11.51257663
0.00045703 0.00007734 0.00018393
0.02488701 0.02780418 -0.00597323
19.10106350 8.38419486 -6.63967405
0.00042849 0.00033543 0.00019372
0.00953958 0.00747023 0.00600667
21.64474996 8.45517872 -5.02380840
-0.00029741 -0.00067112 -0.00046921
-0.02931309 0.01863386 -0.00186595
-7.14200276 4.58953122 9.19664745
0.00060987 -0.00020217 0.00087965
-0.00237183 -0.00319299 0.00232374
-8.04191688 6.34055526 11.42998796
-0.00096892 0.00020760 0.00012500
0.01008929 0.00065848 -0.04721610
-3.05423736 -16.26197608 10.85071427
0.00111684 -0.00012993 -0.00102792
0.01514049 0.01223674 0.00829514
-4.19775340 -13.77801229 11.36965990
0.00042104 0.00014210 -0.00070013
0.00700945 0.00116391 -0.00030980
8.66457539 0.58935679 -3.15063181
0.00008342 -0.00007136 -0.00067828
-0.00880027 -0.00299549 -0.02089191
7.84103706 1.74058645 -5.91379149
-0.00016523 0.00044478 -0.00059677
0.00191092 -0.00563128 0.02051407
0.68300244 -10.93522432 1.83056079
-0.00121001 -0.00061994 0.00055150
-0.00326572 0.00919730 -0.01385000
0.01852240 -8.53410808 0.12003504
-0.00006912 -0.00050142 -0.00090739
0.00510919 0.01136693 -0.00153003
-20.26460303 -1.50252621 6.58490213
-0.00010473 0.00003578 -0.00013765
0.00143476 0.00439643 0.02295194
-21.38121722 0.29127767 4.48113392
-0.00090670 0.00098524 -0.00006762
0.00550752 -0.00367383 0.00429838
-3.75523422 8.39192562 -25.09246728
0.00093955 0.00123594 0.00064339
0.03020322 0.03280510 -0.03512928
-4.51911893 8.78803181 -22.21574087
0.00047552 0.00028421 0.00023853
0.00685552 0.00098344 -0.01326760
4.35101115 1.51529444 -0.92723007
0.00002373 0.00076381 -0.00044428
-0.01646961 -0.01357866 -0.00880176
1.22503951 1.02769658 -1.52993604
-0.00001848 -0.00038210 0.00010796
0.02103748 -0.00275089 -0.00775982
15.62382682 7.72927693 6.39385361
-0.00040922 -0.00009219 0.00011079
-0.00023710 -0.01239633 -0.03195198
15.92152816 9.01383718 3.76889545
-0.00041445 -0.00123970 -0.00024711
-0.01149013 -0.02670601 0.00830116
-0.25527246 -11.82226685 -13.14546712
0.00022204 -0.00000560 0.00021819
0.01085430 0.00067702 -0.00063084
-13.94959874 14.41576570 22.27284645
-0.00001481 -0.00013468 0.00016660
0.00052889 -0.00051976 0.00251232
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03085699
0.31835208
424.18818945
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1354029205
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3031546255 (a.u.)
total exchange computation time: 2.7695028782 s
-154.0666221804
-931.35306737
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1354029205
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3037510795 (a.u.)
total exchange computation time: 2.7674059868 s
-154.0629699603
Anderson extrapolation: theta=1.3506384351 (1.3506384351)
-931.35329902
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1354029205
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3045302123 (a.u.)
total exchange computation time: 2.7674329281 s
-154.0583497370
Anderson extrapolation: theta=0.0519135545 (0.0519135545)
-931.35343736
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1354029205
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3045419878 (a.u.)
total exchange computation time: 2.7701141834 s
-154.0584441715
Anderson extrapolation: theta=1.9738091728 (1.9738091728)
-931.35344243
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1354029205
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3045497357 (a.u.)
total exchange computation time: 2.7673349380 s
-154.0587208567
Anderson extrapolation: theta=0.2239834926 (0.2239834926)
-931.35344765
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1354029205
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3045454632 (a.u.)
total exchange computation time: 2.7675957680 s
-154.0587893167
Anderson extrapolation: theta=1.8906442815 (1.8906442815)
-931.35344859
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1354029205
ExchangeOperator: bisection time: 1.430 s
total exchange = -52.3045453673 (a.u.)
total exchange computation time: 2.7699389458 s
-154.0588058027
Anderson extrapolation: theta=0.2840771853 (0.2840771853)
-931.35344966
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1354029205
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3045532971 (a.u.)
total exchange computation time: 2.7684600353 s
-154.0587059172
Anderson extrapolation: theta=1.3126563194 (1.3126563194)
-931.35344991
-164.392571 4.882484 -203.797248
-132.351832 460.641462 -801.946440
-296.744403 465.523946 -1005.743689
1147.296890
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1354029205
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3045683993 (a.u.)
total exchange computation time: 2.7693250179 s
677.86849820
-1081.65708322
89.90659147
-390.51224050
-174.65464762
77.17244285
551.60419304
0.00000000
-931.35345007
-10.87112394 -4.33220423 6.66552379
0.00007468 -0.00016322 -0.00012647
0.00497657 -0.00566680 -0.00771259
-13.88008304 3.73388634 9.22268660
0.00020504 0.00029933 -0.00020236
0.00170301 0.01057550 -0.00073905
-15.94964269 1.50620650 3.40140540
-0.00006881 0.00030487 -0.00018773
-0.01957439 0.01039457 0.02677499
2.67997916 -19.82960655 12.82802275
0.00023172 0.00021160 0.00019603
-0.00600768 0.00539764 0.00272109
9.58011243 20.36722573 1.31687033
0.00013513 -0.00004084 0.00019920
0.01313768 -0.00411356 -0.01271590
-12.12722115 12.55862240 15.21150535
-0.00000433 0.00006511 0.00014028
0.02185342 -0.00068491 0.03286307
-6.16209471 1.37904247 -12.51708654
0.00014924 -0.00004416 -0.00037071
0.01555315 0.02331057 -0.04485231
-7.46670244 7.71057012 -6.11031575
-0.00015882 -0.00022759 -0.00027076
0.00603567 -0.02930995 0.00809670
-7.78567214 -4.37362331 17.81427081
-0.00008477 -0.00011215 0.00012627
-0.00278370 -0.02221267 0.01340105
-23.63568557 -5.26570700 -22.75653507
-0.00021228 -0.00043229 -0.00023073
0.00278985 -0.01622020 0.02365910
6.60798794 12.76006288 5.99328419
0.00013652 -0.00001659 -0.00023281
0.03757324 -0.01906637 0.02317737
24.81534119 30.58651830 -3.03962233
0.00008254 0.00024598 -0.00011371
-0.00634367 -0.02270562 0.02109436
7.93493580 -0.93093313 -14.49952520
0.00009028 0.00018935 0.00007315
0.00490058 0.00628726 -0.02811844
-7.45476478 -0.86473481 14.18683306
-0.00048379 0.00004149 -0.00029953
-0.01415373 0.01453657 0.02902353
-1.68913680 -26.17688279 11.20046672
0.00009518 0.00005510 -0.00025507
0.00864620 0.00404002 -0.02673155
-13.99594267 -4.42173836 -6.97354095
0.00008737 0.00004656 0.00004669
-0.00941608 -0.00402020 -0.00236084
-19.94993148 -12.66619337 -17.63749152
0.00026122 0.00020595 0.00025812
-0.00569411 0.03238650 0.01028499
22.81581816 3.52410174 3.04171717
0.00014533 0.00013671 0.00020610
-0.00402331 0.01304686 0.00985918
17.60120839 -10.43804042 -14.39706395
-0.00030527 -0.00036348 0.00004659
-0.00448010 -0.00116553 0.03982378
-1.92433754 1.72957114 -7.04032673
0.00009924 -0.00017457 -0.00006579
0.02018264 0.01253383 -0.01267148
-4.38500948 -2.98680149 -15.66282920
-0.00027941 0.00006313 -0.00011527
0.01313101 0.02124885 0.00018262
13.41122690 17.35538356 -19.85597102
-0.00000913 0.00022394 0.00022154
0.00314350 0.01519109 -0.00907951
-15.88219732 16.17374783 -12.03467137
0.00045775 0.00013841 0.00019727
0.00505382 -0.02284322 -0.04951266
2.13391425 14.70071354 7.59012844
0.00030481 0.00029630 0.00004113
-0.06102625 0.02816260 0.00190184
-5.37757752 -9.73837788 2.31494163
-0.00006840 -0.00012235 0.00017793
0.01893230 -0.04985826 0.02218137
3.03617898 -6.55476570 2.73800893
-0.00009111 0.00024004 0.00023644
0.01808416 0.02718534 -0.01817349
10.81906230 5.06356185 4.41332307
-0.00028317 0.00039493 -0.00003801
-0.02155187 0.02311664 -0.00418957
-8.53529760 -9.52416496 -3.04404348
-0.00005052 0.00019190 -0.00031077
-0.03538578 0.01905341 0.01838636
3.20979413 -15.92609723 -13.10961548
0.00009360 0.00009369 0.00015555
0.00729976 -0.01447208 0.01573755
4.74866531 -8.25997010 -5.30205724
-0.00016736 0.00029638 0.00038687
-0.02821237 -0.03790639 0.04195517
18.52927535 1.03324361 24.58575832
-0.00011484 0.00025099 -0.00022892
-0.01023553 0.01311797 -0.00057949
-8.62088579 3.11859601 1.20107992
-0.00012073 0.00004713 -0.00000085
0.02259023 -0.02160566 -0.02331558
-7.53136752 14.20006907 -10.28208499
0.00022322 -0.00015574 0.00033516
-0.02828660 -0.00930669 -0.02472205
1.70417220 11.48781086 -8.95918360
0.00005993 0.00022872 0.00029417
-0.01024011 -0.00880897 -0.00122549
-11.60795218 10.20623453 -13.90933320
0.00018286 0.00014572 0.00007005
0.01694502 -0.02471457 0.02453731
6.79764127 4.54097354 14.70785581
-0.00018602 0.00042687 -0.00018629
0.02110291 -0.01104083 -0.02848896
-14.91972574 9.08205400 -8.96179287
-0.00022088 -0.00015313 0.00011413
0.00170265 -0.00287605 -0.01509013
8.47042280 8.20716521 -3.09527271
-0.00000833 0.00000724 0.00002859
-0.00225431 -0.02085330 -0.04956384
13.81347080 -20.47231881 -25.94688676
-0.00000466 -0.00000626 -0.00008839
-0.01894865 0.00880973 0.01241662
6.13381483 6.72582511 2.52520958
-0.00020659 0.00004885 -0.00029463
0.00771570 -0.04974572 -0.03598409
18.93133130 -5.82613440 -6.72122161
-0.00019504 -0.00017662 -0.00014739
-0.01748413 0.00834784 0.00801345
-1.69129449 -0.13217855 -2.63845227
0.00002106 -0.00034699 0.00010334
0.01871233 -0.02319775 0.01385889
2.37751888 -1.79572502 -12.03784157
-0.00001754 0.00003873 0.00017872
-0.05224376 0.00162665 0.00512175
19.97933137 9.39578318 -5.36627846
-0.00064499 0.00005464 -0.00026557
0.03876759 -0.02401899 -0.00618259
-7.64623462 6.35341689 9.52759957
-0.00027863 -0.00016342 0.00018535
-0.01156917 0.00041484 0.05202408
-2.53507734 -14.56489355 11.42867710
-0.00009042 -0.00002537 -0.00004552
-0.02303038 -0.02021359 -0.00387324
8.11614959 0.18234771 -4.87689113
0.00002485 -0.00032785 0.00027227
-0.00140535 0.01747209 -0.00289215
-0.16624434 -10.33146336 0.26519353
-0.00015899 -0.00036704 -0.00016525
-0.00343620 -0.03191197 0.01878638
-20.26963640 -1.14879020 4.80958695
-0.00010811 0.00013529 0.00008068
-0.00500850 0.00591377 -0.03071806
-4.55234996 7.71323543 -23.68621797
-0.00010830 -0.00011234 -0.00005745
-0.03985678 -0.03304381 0.05939226
2.64813088 2.15240378 -1.03469691
0.00037055 -0.00025920 0.00026142
-0.00037956 0.01808639 -0.00137108
15.48488277 7.32911560 4.51848133
-0.00002317 0.00002380 -0.00022491
0.00867974 0.03640276 0.02742681
-9.90126098 -4.54424976 8.18863497
-0.00040318 0.00026150 0.00127409
0.00308666 0.00033740 -0.00210174
-9.74202588 -4.51229477 5.14756943
0.00097846 -0.00167885 0.00107327
-0.00776366 -0.00039300 0.01861803
-12.61609091 4.59964187 8.21792385
0.00017095 -0.00100655 -0.00050611
-0.00198703 -0.00134837 0.00261305
-13.85810596 2.00914082 8.55672874
0.00014064 0.00077071 0.00026447
0.00173120 -0.00778391 0.00628472
-15.48102093 2.29277373 5.07892867
0.00006188 0.00044894 0.00057093
-0.00919216 -0.02115386 -0.03042940
-17.60742935 0.54616841 3.77570026
-0.00040883 0.00054115 -0.00026736
0.02801163 0.01274974 0.00165731
3.06558843 -21.47887323 12.03876755
-0.00014761 -0.00119816 0.00044710
-0.00080266 0.00485314 0.00205792
3.95580199 -19.20745286 14.01414458
0.00010053 0.00049381 -0.00168621
-0.00067503 -0.00687318 -0.00556575
8.76106557 18.73525164 1.08345025
-0.00083154 0.00055491 0.00005124
-0.00769957 0.00823204 0.00212525
8.55681524 21.60801780 2.20410740
-0.00100193 -0.00048473 0.00096850
-0.01021888 -0.00371244 0.00361317
-11.36488578 11.86673506 16.81465240
-0.00035814 0.00087118 0.00035607
-0.00544269 0.01169189 -0.02866605
-12.60420158 14.24875805 15.79690082
-0.00014989 -0.00027188 -0.00040147
-0.00426517 -0.00107980 -0.00998781
-5.09485003 0.17223568 -13.38803389
0.00036155 -0.00027591 -0.00071144
-0.00896923 0.00329381 0.00643581
-6.60477272 0.68162038 -10.95437321
-0.00019911 -0.00008034 0.00084573
-0.01106032 -0.02156986 0.04116673
-6.97179566 6.23203985 -5.04899248
-0.00039586 0.00014651 -0.00039891
-0.00404920 0.01969458 -0.01595387
-9.06562405 8.12196702 -5.36548380
0.00044583 0.00021623 -0.00001679
-0.00633377 0.00408884 0.00125758
-7.87821822 -3.04717129 19.07035697
0.00081316 -0.00073105 -0.00050506
-0.00225839 -0.00631417 -0.00194012
-8.39453356 -5.98076092 18.59126789
-0.00070852 0.00090419 0.00029214
0.01114064 0.02253046 -0.00759533
-23.69482922 -3.63312684 -23.49214552
-0.00068810 0.00020062 0.00005481
-0.00256264 0.02102965 -0.01582641
-23.00780868 -4.93680153 -21.05702040
-0.00007321 0.00066015 -0.00068083
-0.00255724 -0.00155471 -0.00917617
7.16679631 13.25979875 4.35675743
0.00018854 0.00031576 0.00002783
0.00056800 0.00860829 -0.02099601
8.23434298 11.93564293 6.61845777
-0.00002238 -0.00024136 0.00090229
-0.02981609 0.01003265 -0.00566067
24.95459397 28.85085169 -2.32813851
0.00012077 -0.00025612 -0.00025495
-0.00230624 0.02298083 -0.01318495
24.09886783 31.58816896 -1.64261706
0.00002195 -0.00010980 -0.00066748
0.00060253 -0.00194107 -0.01211784
9.07817249 -1.83360213 -15.67156032
-0.00059331 0.00141562 -0.00068304
-0.00018275 0.00631936 0.01195644
7.72186221 -2.19166082 -13.27071764
-0.00114739 -0.00112080 -0.00065985
-0.00657372 -0.01692569 0.02304713
-7.60644322 0.06924830 15.87703932
0.00114824 0.00116535 -0.00039391
0.00772818 -0.01411130 -0.03462390
-8.79527386 -2.10659693 14.43498586
0.00089571 -0.00010507 -0.00045260
0.01058154 0.00205608 -0.00586942
-2.21559357 -26.77824948 12.85661438
0.00063285 -0.00019289 -0.00034877
-0.01739583 -0.00430699 0.00718767
-3.00619036 -25.93671639 9.92471724
0.00067959 -0.00024247 -0.00000162
0.00282023 -0.00341781 0.01277875
-14.71497793 -2.82068839 -6.33950065
0.00047797 0.00019036 -0.00042242
0.01291259 -0.00791370 -0.00402180
-14.47866583 -4.67406909 -8.72563477
0.00044235 0.00026045 -0.00026512
-0.00127633 0.00420080 -0.00040437
-19.47896715 -10.99230804 -16.91881264
-0.00117064 -0.00075491 -0.00029311
-0.00055682 -0.02096363 -0.00679873
-18.30874227 -13.38529998 -17.99503946
-0.00014710 -0.00080582 0.00003563
0.00330069 -0.00543620 -0.00629019
24.11787973 3.66820928 1.76251146
-0.00004517 -0.00057560 -0.00080211
-0.00270112 -0.01130800 -0.01221039
22.88136413 5.11712484 3.89350004
-0.00069533 -0.00013593 0.00081970
-0.00380011 0.00653556 0.01105649
16.32608533 -9.88404325 -13.09208215
0.00089996 0.00048520 -0.00094804
0.01488438 0.00010566 -0.02446147
17.02127734 -10.10508639 -16.06438860
-0.00013024 0.00034973 0.00058422
-0.01056463 0.01033649 -0.01256308
-0.18307670 1.85314813 -7.84606769
0.00063037 -0.00086450 0.00046042
-0.01965677 0.00225331 0.00941772
-2.27664100 -0.03522250 -6.99004016
0.00005015 0.00012209 -0.00047590
-0.00542826 -0.01261464 -0.01241774
-5.19869807 -4.20923514 -16.69975710
0.00109742 -0.00036221 0.00037461
-0.00814274 -0.00679877 -0.00744752
-4.10653501 -1.51992877 -16.78089656
-0.00104563 -0.00013015 -0.00066941
-0.00027177 -0.01349734 0.00283913
12.43459198 18.91312247 -20.33387435
0.00042460 0.00017324 0.00066695
0.00937630 -0.00801597 0.00367410
12.14055587 16.10539580 -20.20777710
0.00077711 -0.00098095 -0.00023735
-0.00522561 -0.01061410 -0.00351077
-15.32290020 15.68678324 -13.87684810
0.00041454 -0.00002028 -0.00047085
-0.00712275 0.01197603 0.04827309
-17.34527101 15.01779139 -12.05536583
0.00098024 0.00052943 0.00038045
0.00649849 0.01479503 0.00502826
2.30626166 15.04849034 5.79675007
0.00024465 -0.00040440 -0.00033495
0.02277488 -0.00891772 -0.01156336
0.64541454 15.90262526 7.77054843
-0.00035340 0.00015244 0.00003041
0.02596640 -0.02758434 0.01615414
-5.73496743 -8.18070186 1.58409400
0.00088986 -0.00073124 0.00135460
-0.00376121 0.03611150 -0.01778827
-3.63889427 -10.23679306 1.84749027
-0.00009289 -0.00041001 -0.00007742
-0.00688997 0.01616475 -0.00503285
3.14077144 -4.71323666 2.93717816
0.00117499 -0.00217836 0.00003400
-0.00941591 -0.00643816 0.00523616
4.57461969 -6.77485467 1.66592741
0.00023399 -0.00085943 0.00075609
-0.01008804 -0.01199084 0.00895816
9.36548864 5.88303388 3.52556999
0.00090359 0.00021597 -0.00048509
0.01203289 -0.00463314 0.01698039
12.05508041 6.41853198 4.70958376
0.00019123 0.00031846 -0.00001850
-0.00136856 -0.00541787 -0.00152703
-7.40340448 -10.78852639 -2.58363729
-0.00040147 0.00076668 -0.00049446
0.03806640 -0.03190635 -0.00379982
-9.47293772 -9.48395725 -1.44886227
0.00066474 -0.00047689 -0.00068907
-0.00729749 0.00896624 -0.01115083
4.39185602 -15.95702413 -14.56254618
0.00003111 0.00117356 -0.00088401
-0.01046869 -0.01142938 0.03523152
3.57540097 -17.24660411 -11.67901266
-0.00084864 -0.00067192 0.00014751
-0.00704869 0.02838227 -0.04966350
5.60703126 -6.93067354 -6.09279202
-0.00016961 -0.00019120 0.00043923
0.02269326 0.03182928 0.00038384
4.94862598 -8.24088254 -3.40699941
0.00008256 0.00001714 0.00018727
0.00415894 0.00750399 -0.04197584
16.95940694 1.97964039 24.75450247
-0.00010898 -0.00007082 0.00013347
-0.00849792 -0.01637092 0.00045957
19.65569400 2.46423992 24.33229910
0.00038827 -0.00019837 0.00007206
0.01587128 -0.00420371 0.00958741
-9.83605417 3.99063837 2.28918723
-0.00014132 -0.00027034 -0.00005067
-0.00317757 0.00043746 0.01053928
-7.19525484 4.20828956 0.94390287
0.00008457 -0.00094520 -0.00014593
-0.00447758 0.01296022 -0.00221937
-6.27206221 14.13481264 -9.04173650
0.00034898 0.00003554 0.00047724
0.02290411 0.00387968 0.02572112
-9.07054339 13.57606157 -9.46698452
0.00125216 0.00006755 -0.00042249
0.00740660 0.00331555 -0.00188563
0.52673834 10.71960864 -7.76790524
0.00004421 -0.00070371 -0.00038205
-0.00112375 0.00261399 -0.00793306
2.94968569 12.12174285 -7.79909587
0.00056314 -0.00064411 -0.00128809
0.00950815 0.01071761 0.00921289
-10.07053923 9.12002912 -13.65632332
-0.00035534 0.00041480 0.00025809
-0.02255988 0.01581265 -0.00862655
-12.60575554 9.71829747 -12.41341098
0.00090239 -0.00034111 -0.00138053
0.00442225 0.00438185 -0.01293405
7.15210910 6.35167191 14.46550981
-0.00128075 -0.00019987 -0.00001103
-0.01037577 0.00596696 0.00844244
7.39773083 4.15904536 12.96163469
0.00024013 -0.00184045 0.00004100
-0.00442289 -0.01053291 0.01083315
-13.77790837 10.44230222 -8.47047663
-0.00096741 -0.00034320 0.00030079
-0.00287706 0.01390463 0.00660693
-16.33895304 9.77604715 -9.88980756
0.00009794 -0.00084002 0.00088140
-0.00080165 -0.00426062 0.00701451
8.11926016 9.84387027 -2.52448989
-0.00036752 0.00015087 0.00032682
-0.00598041 0.03312964 0.01744380
7.79461742 8.36020873 -4.88166989
0.00028862 -0.00083830 -0.00124412
0.00891563 -0.00816004 0.03897329
12.05792756 -19.95346459 -26.24170576
0.00061311 0.00029866 0.00033121
0.01737342 -0.00588365 -0.00365986
13.86533986 -20.44267297 -24.08231696
0.00051774 -0.00081223 -0.00060352
0.00111622 0.00364839 -0.00425738
6.00790703 4.82616260 2.04681986
0.00036078 0.00064537 0.00019882
-0.00280220 0.03210658 0.02903984
6.57583694 7.27683433 0.82447402
0.00064399 0.00081288 -0.00033485
-0.00091892 0.01509165 0.00245933
20.34184622 -6.39125515 -5.74853544
-0.00105018 0.00027481 -0.00017775
0.00351363 -0.00475772 0.00886338
17.61228907 -5.13429216 -5.54177636
-0.00083397 0.00072252 0.00002057
0.01167009 -0.00665388 -0.01399270
-2.21537836 0.44703683 -1.02116800
0.00002701 0.00043135 0.00080912
-0.02077681 0.00692615 0.01114595
-2.18197851 0.99569747 -3.99663777
0.00141772 0.00033509 0.00041368
0.00232451 0.01389026 -0.00557142
3.61273189 -3.02773760 -12.22748612
0.00089987 0.00009933 -0.00018253
0.03578932 -0.02981663 -0.00325119
0.72938973 -2.87723781 -11.51000065
0.00055712 0.00018916 0.00015952
0.02410854 0.02693322 -0.00597769
19.10778315 8.38945527 -6.63658414
0.00045820 0.00035851 0.00020823
0.00500669 0.00382695 0.00109445
21.63939055 8.44568286 -5.03090366
-0.00042122 -0.00059064 -0.00047656
-0.03129090 0.02076292 -0.00173280
-7.13292740 4.58640084 9.20991339
0.00059954 -0.00021388 0.00088893
-0.00268509 -0.00254095 0.00222061
-8.05614148 6.34368944 11.43041611
-0.00092682 0.00021019 -0.00006766
0.01051862 0.00061167 -0.04708990
-3.03702076 -16.26355001 10.83554961
0.00117697 -0.00007822 -0.00099293
0.01429309 0.01307472 0.00883455
-4.19122293 -13.77584507 11.35914842
0.00044411 0.00014733 -0.00070156
0.00428237 0.00139666 -0.00039040
8.66555708 0.58819462 -3.16144627
0.00005113 -0.00008110 -0.00075185
-0.00700564 -0.00177212 -0.01511674
7.83861715 1.74708561 -5.92211437
-0.00015553 0.00041072 -0.00050507
0.00283651 -0.01104035 0.02437124
0.66475229 -10.94424158 1.83840883
-0.00122304 -0.00058048 0.00049218
-0.00311293 0.01012064 -0.01518620
0.01764220 -8.54128112 0.10637738
-0.00004805 -0.00045409 -0.00091243
0.00520255 0.01180164 -0.00093912
-20.26612997 -1.50185482 6.58354074
-0.00009927 0.00005367 -0.00004216
0.00123634 0.00436033 0.02378936
-21.39464897 0.30594375 4.48025130
-0.00087422 0.00095826 -0.00004691
0.01039433 -0.00953372 0.00584291
-3.74021542 8.41146999 -25.08389296
0.00105784 0.00136445 0.00050665
0.02770110 0.03010207 -0.03180454
-4.51177609 8.79232514 -22.21256950
0.00050212 0.00028266 0.00018010
0.00616663 -0.00174357 -0.01533480
4.35086241 1.52633549 -0.93416404
-0.00003234 0.00070349 -0.00047970
-0.01097705 -0.01594808 -0.00853274
1.22540692 1.02188072 -1.52855448
0.00007136 -0.00039096 0.00007723
0.02293890 -0.00158444 -0.00727863
15.61768131 7.72751416 6.39453630
-0.00041004 -0.00014280 -0.00002234
-0.00016530 -0.01237351 -0.03321274
15.91495938 8.99442339 3.76544310
-0.00045758 -0.00133486 -0.00021843
-0.00962646 -0.01987915 0.00573954
-0.25191277 -11.82234904 -13.14219597
0.00022594 -0.00000535 0.00021797
0.01098236 0.00074461 -0.00060057
-13.94982002 14.41374460 22.27534980
-0.00001471 -0.00013481 0.00016718
0.00032922 -0.00064053 0.00252601
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03070053
0.32274953
430.04757415
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3198418640 (a.u.)
total exchange computation time: 2.7684638500 s
-154.1255117137
-931.35679692
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3202414155 (a.u.)
total exchange computation time: 2.7681210041 s
-154.1230815753
Anderson extrapolation: theta=1.3719508204 (1.3719508204)
-931.35702832
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3207125972 (a.u.)
total exchange computation time: 2.7717750072 s
-154.1203061641
Anderson extrapolation: theta=0.0581885376 (0.0581885376)
-931.35717075
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3206716568 (a.u.)
total exchange computation time: 2.7680020332 s
-154.1206745971
Anderson extrapolation: theta=2.1087816912 (2.0000000000)
-931.35717724
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3205588362 (a.u.)
total exchange computation time: 2.7693300247 s
-154.1215774494
Anderson extrapolation: theta=0.2906655400 (0.2906655400)
-931.35718523
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3205130400 (a.u.)
total exchange computation time: 2.7701630592 s
-154.1218714836
Anderson extrapolation: theta=1.5134694192 (1.5134694192)
-931.35718721
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3204531740 (a.u.)
total exchange computation time: 2.7701358795 s
-154.1221906373
Anderson extrapolation: theta=0.3722146833 (0.3722146833)
-931.35718949
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3204431561 (a.u.)
total exchange computation time: 2.7697370052 s
-154.1221777729
Anderson extrapolation: theta=1.0622574316 (1.0622574316)
-931.35719027
-119.981480 4.815872 -203.826683
-132.303880 460.633436 -802.009349
-252.285360 465.449309 -1005.836032
1136.660497
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1357923202
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3204428741 (a.u.)
total exchange computation time: 2.7709698677 s
678.11023223
-1082.16285162
89.87961762
-390.16904539
-174.69470086
77.44863660
551.60419304
0.00000000
-931.35719090
-10.86998452 -4.33467447 6.66359692
0.00007802 -0.00016640 -0.00012850
0.00799866 -0.00667491 -0.00014900
-13.87700087 3.73841709 9.21964830
0.00020539 0.00030506 -0.00020206
-0.00033035 0.01169640 0.00190165
-15.95075028 1.51081963 3.39869270
-0.00007871 0.00031048 -0.00017306
-0.01895769 0.01144170 0.03028498
2.68343177 -19.82641176 12.83097369
0.00022741 0.00021232 0.00019538
-0.01075503 -0.00259599 -0.00523411
9.58219009 20.36659725 1.31980921
0.00014073 -0.00004195 0.00019346
0.00864367 -0.00021171 -0.00958918
-12.12720175 12.55959634 15.21373628
0.00000682 0.00006429 0.00015666
0.02148573 -0.00249880 0.03086000
-6.15979607 1.37846998 -12.52282015
0.00015690 -0.00003361 -0.00039162
0.01423382 0.01773509 -0.03648137
-7.46906139 7.70704326 -6.11434599
-0.00015542 -0.00024225 -0.00026723
0.00717482 -0.02770111 0.00565959
-7.78695448 -4.37539119 17.81621663
-0.00008581 -0.00012400 0.00013160
-0.00125350 -0.02387285 0.00730690
-23.63885900 -5.27225386 -22.75990481
-0.00021095 -0.00043936 -0.00021929
0.00238739 -0.01130011 0.02085165
6.61018073 12.75974043 5.98988145
0.00015588 -0.00002655 -0.00022033
0.03770987 -0.01963526 0.02536219
24.81655482 30.59012038 -3.04124657
0.00007969 0.00023315 -0.00010356
-0.00474629 -0.02718470 0.01835098
7.93630893 -0.92806857 -14.49853637
0.00009210 0.00019209 0.00006025
0.00215478 0.00433951 -0.02204073
-7.46207616 -0.86405633 14.18245204
-0.00048933 0.00005052 -0.00028483
-0.00741657 0.02054446 0.02813014
-1.68767582 -26.17604066 11.19653761
0.00010060 0.00005710 -0.00026813
0.01244982 0.00373336 -0.02404863
-13.99466838 -4.42105548 -6.97284964
0.00008255 0.00004421 0.00004495
-0.00932649 -0.00510762 -0.00441137
-19.94603509 -12.66297918 -17.63358008
0.00025748 0.00022025 0.00026244
-0.00886411 0.02322663 0.00654198
22.81798266 3.52620274 3.04484666
0.00014356 0.00014320 0.00021063
-0.00288366 0.01219985 0.00776033
17.59661199 -10.44349716 -14.39621143
-0.00030621 -0.00036468 0.00006647
0.00084059 -0.00348847 0.03748349
-1.92277113 1.72700091 -7.04136250
0.00011015 -0.00016772 -0.00007235
0.02226852 0.01412634 -0.01283096
-4.38915001 -2.98577255 -15.66455762
-0.00027213 0.00007503 -0.00011462
0.01519174 0.02500295 0.00236482
13.41110212 17.35880118 -19.85268294
-0.00000738 0.00023057 0.00021688
0.00366311 0.01060724 -0.00902429
-15.87531150 16.17573584 -12.03190334
0.00046143 0.00012733 0.00017124
0.00923430 -0.02024575 -0.05170299
2.13825098 14.70526667 7.59075267
0.00027311 0.00031100 0.00004184
-0.06225642 0.02899609 0.00086273
-5.37853043 -9.74040547 2.31769619
-0.00005792 -0.00015058 0.00019036
0.02178896 -0.05992387 0.02613837
3.03488210 -6.55106028 2.74148545
-0.00008175 0.00024960 0.00022650
0.01830579 0.00999754 -0.02048299
10.81473165 5.06957499 4.41273670
-0.00029296 0.00040662 -0.00003959
-0.01653718 0.02232384 -0.00192633
-8.53619190 -9.52121295 -3.04863408
-0.00006897 0.00020257 -0.00030259
-0.03636386 0.02244077 0.01342870
3.21122632 -15.92474771 -13.10722151
0.00009769 0.00008634 0.00016287
0.00860918 -0.01410045 0.01273076
4.74604602 -8.25567056 -5.29609234
-0.00018227 0.00027637 0.00040838
-0.02974130 -0.03993253 0.04167911
18.52751330 1.03705907 24.58232226
-0.00011991 0.00025730 -0.00022923
-0.00950062 0.01142972 -0.00063658
-8.62260965 3.11921962 1.20097722
-0.00010970 0.00003526 -0.00001285
0.02031393 -0.02454026 -0.02336306
-7.52812826 14.19769703 -10.27715301
0.00021112 -0.00015972 0.00032190
-0.01879121 -0.00614541 -0.02684207
1.70503159 11.49120761 -8.95477580
0.00005336 0.00022349 0.00029198
-0.01528492 -0.01152754 -0.00727614
-11.60514392 10.20832499 -13.90818785
0.00019224 0.00013401 0.00008071
0.01951166 -0.02083895 0.01692826
6.79493238 4.54733395 14.70495164
-0.00017535 0.00041917 -0.00020109
0.02036927 -0.01889557 -0.02907946
-14.92303237 9.07974598 -8.96013919
-0.00021927 -0.00015581 0.00010707
0.00454914 -0.00753898 -0.01235413
8.47028911 8.20719339 -3.09503509
-0.00000992 -0.00000290 0.00000233
-0.00393623 -0.01858761 -0.05252250
13.81332777 -20.47237875 -25.94816466
-0.00001334 -0.00000206 -0.00008265
-0.01479878 0.00753782 0.00989214
6.13074580 6.72636601 2.52065131
-0.00020230 0.00002459 -0.00031357
0.00894417 -0.04460517 -0.03764761
18.92833830 -5.82875157 -6.72340154
-0.00020621 -0.00017127 -0.00014354
-0.02598029 0.01247188 0.00697180
-1.69090646 -0.13747290 -2.63684867
0.00003022 -0.00035842 0.00011244
0.01693939 -0.02124250 0.02152638
2.37705428 -1.79513774 -12.03514109
-0.00004264 0.00003885 0.00018127
-0.04537880 -0.00118644 0.00479953
19.96980611 9.39651018 -5.37028582
-0.00062348 0.00004287 -0.00026741
0.04486288 -0.02174360 -0.00099070
-7.65045863 6.35096720 9.53058053
-0.00028449 -0.00016342 0.00021177
-0.01121791 -0.00041376 0.05071892
-2.53652246 -14.56535202 11.42797935
-0.00010129 -0.00003595 -0.00004755
-0.01924003 -0.02094486 -0.00402417
8.11651688 0.17749738 -4.87281828
0.00002336 -0.00031790 0.00026827
-0.00438737 0.02120468 -0.01265566
-0.16864243 -10.33709210 0.26278726
-0.00016084 -0.00038360 -0.00015550
-0.00376578 -0.03248323 0.01914114
-20.27127736 -1.14673806 4.81067871
-0.00011175 0.00013970 0.00006449
-0.00913540 0.01124585 -0.03224325
-4.55412814 7.71142286 -23.68685059
-0.00012773 -0.00012781 -0.00002785
-0.03571832 -0.02712704 0.05569355
2.65368773 2.14858548 -1.03078091
0.00036836 -0.00024957 0.00026059
-0.00814730 0.01938697 -0.00184021
15.48456864 7.32961302 4.51521353
-0.00001931 0.00004042 -0.00020977
0.00635830 0.02822196 0.03143062
-9.90721409 -4.54031691 8.20768195
-0.00039797 0.00026430 0.00125385
-0.00053870 0.00103065 -0.00780937
-9.72758683 -4.53748962 5.16423904
0.00094728 -0.00167924 0.00114584
-0.00750276 0.00020525 0.01690438
-12.61358760 4.58450232 8.21041227
0.00016824 -0.00100652 -0.00049889
0.00066066 0.00136392 0.00092279
-13.85594335 2.02046301 8.56088831
0.00014645 0.00073092 0.00028840
0.00111414 -0.01169444 0.00543348
-15.48037443 2.29885966 5.08656013
0.00002225 0.00035950 0.00043980
-0.01020699 -0.02262796 -0.03375615
-17.61270346 0.55467636 3.77174070
-0.00029368 0.00059329 -0.00026041
0.02835451 0.01277378 0.00174175
3.06334968 -21.49669688 12.04553710
-0.00015352 -0.00116804 0.00045879
-0.00208793 0.00988885 0.00366700
3.95728926 -19.20025631 13.98868092
0.00010926 0.00047113 -0.00169642
0.00495015 -0.00423009 0.00056399
8.74835658 18.74382761 1.08428391
-0.00086092 0.00058626 0.00005904
-0.00668297 0.00711201 0.00169441
8.54147317 21.60063315 2.21874561
-0.00103647 -0.00050441 0.00097760
-0.00668929 -0.00592230 0.00084238
-11.37042466 11.88016111 16.81911507
-0.00037866 0.00091623 0.00024149
-0.00459997 0.01035730 -0.02742309
-12.60658066 14.24464679 15.79057275
-0.00016897 -0.00027040 -0.00044081
-0.00507438 0.00180101 -0.00927022
-5.08970168 0.16819789 -13.39850830
0.00032100 -0.00025894 -0.00068095
-0.01087702 0.00501378 0.00849013
-6.60809824 0.67975426 -10.94042573
-0.00023791 -0.00016070 0.00099311
-0.00793417 -0.01776562 0.03097484
-6.97785769 6.23484098 -5.05546504
-0.00041004 0.00022222 -0.00046081
-0.00289109 0.01736503 -0.01434698
-9.05913068 8.12533582 -5.36569710
0.00041531 0.00023473 -0.00000981
-0.00860803 0.00496544 0.00215855
-7.86608997 -3.05833058 19.06272166
0.00080319 -0.00074518 -0.00050318
-0.00262569 -0.00059921 0.00286081
-8.40481992 -5.96650759 18.59541727
-0.00066494 0.00098863 0.00026328
0.01019104 0.01880147 -0.00653383
-23.70522920 -3.62947307 -23.49180839
-0.00069887 0.00027776 -0.00000802
-0.00271191 0.01673132 -0.01492964
-23.00898521 -4.92694694 -21.06751409
-0.00008233 0.00065221 -0.00071439
-0.00190889 -0.00233218 -0.00725012
7.16964185 13.26479888 4.35653152
0.00019290 0.00035033 -0.00005847
0.00156336 0.00831672 -0.02124816
8.23309368 11.93233002 6.63181865
-0.00014597 -0.00019827 0.00087534
-0.03068603 0.01106075 -0.00753279
24.95633480 28.84771409 -2.33236680
0.00011100 -0.00015746 -0.00030996
-0.00247420 0.02531314 -0.01374279
24.09921562 31.58646246 -1.65300052
0.00002139 -0.00011361 -0.00071021
-0.00087765 0.00007826 -0.00880215
9.06926728 -1.81217416 -15.68143952
-0.00059037 0.00143729 -0.00063721
0.00161994 0.00428470 0.01047572
7.70444991 -2.20899150 -13.27990922
-0.00117192 -0.00118222 -0.00057545
-0.00543480 -0.01313993 0.01826813
-7.58898273 0.08629610 15.87006967
0.00117614 0.00110347 -0.00053724
0.00592458 -0.01617893 -0.03553425
-8.78151391 -2.10811000 14.42801703
0.00092850 -0.00010433 -0.00047243
0.00546793 -0.00169390 -0.00383966
-2.20663390 -26.78127485 12.85160304
0.00056049 -0.00021117 -0.00031839
-0.01802311 -0.00463964 0.00768528
-2.99591010 -25.94045817 9.92508450
0.00068391 -0.00025521 0.00004480
-0.00070684 -0.00282004 0.00994402
-14.70741275 -2.81807546 -6.34596023
0.00052961 0.00016015 -0.00043720
0.01236940 -0.00687416 -0.00321233
-14.47206963 -4.67003366 -8.72962398
0.00043800 0.00027749 -0.00026397
-0.00085429 0.00414216 0.00096655
-19.49654383 -11.00427411 -16.92341767
-0.00116572 -0.00082462 -0.00031418
0.00296788 -0.01315912 -0.00351273
-18.31084767 -13.39755382 -17.99469774
-0.00013439 -0.00082513 0.00001047
0.00292069 -0.00401921 -0.00602428
24.11711945 3.65922879 1.75010559
-0.00006071 -0.00061996 -0.00084584
-0.00490917 -0.01040625 -0.00919288
22.87081777 5.11528610 3.90613430
-0.00070867 -0.00011004 0.00086220
-0.00273102 0.00614019 0.00975025
16.34004083 -9.87676205 -13.10705229
0.00095108 0.00048877 -0.00103660
0.01014145 0.00164433 -0.01889148
17.01899996 -10.09952364 -16.05601022
-0.00017440 0.00039263 0.00052613
-0.01105029 0.01065914 -0.01587351
-0.17422356 1.84024964 -7.83887281
0.00054818 -0.00085345 0.00049912
-0.02057406 0.00315795 0.00952469
-2.27605514 -0.03377773 -6.99755916
0.00002598 0.00006608 -0.00052559
-0.00640175 -0.01480363 -0.01190431
-5.18248623 -4.21487669 -16.69436614
0.00105956 -0.00039750 0.00033857
-0.01039426 -0.01047288 -0.01019647
-4.12222784 -1.52229468 -16.79085071
-0.00104622 -0.00018550 -0.00065683
-0.00001314 -0.01359622 0.00331652
12.44124827 18.91547544 -20.32375748
0.00045878 0.00014161 0.00068100
0.00735459 -0.00746948 0.00320299
12.15205233 16.09035627 -20.21144486
0.00075922 -0.00101700 -0.00025088
-0.00352919 -0.00703055 -0.00311441
-15.31690042 15.68684606 -13.88243166
0.00038441 0.00002919 -0.00026994
-0.00762466 0.01223995 0.05007752
-17.33036824 15.02618616 -12.04950504
0.00099922 0.00058391 0.00040103
0.00278879 0.01187475 0.00504555
2.31062931 15.04215111 5.79137153
0.00033630 -0.00044057 -0.00037828
0.02209004 -0.00878628 -0.00964895
0.64090921 15.90406661 7.77149967
-0.00024356 0.00003792 0.00009481
0.02780291 -0.02847347 0.01536795
-5.72173480 -8.19056396 1.60386796
0.00086978 -0.00056264 0.00127269
-0.00606899 0.04642273 -0.02230930
-3.64049877 -10.24244791 1.84617469
-0.00012236 -0.00034397 -0.00009709
-0.00753648 0.01616436 -0.00459348
3.15810777 -4.74610936 2.93784865
0.00113731 -0.00216923 0.00005956
-0.00903139 0.01091008 0.00727618
4.57782035 -6.78811358 1.67754327
0.00019191 -0.00090914 0.00079238
-0.01050688 -0.01234044 0.00880613
9.37941116 5.88613139 3.51881392
0.00094493 0.00020099 -0.00041972
0.00820601 -0.00269771 0.01502171
12.05790695 6.42314280 4.70925943
0.00018359 0.00029355 -0.00002541
-0.00237060 -0.00677339 -0.00185611
-7.40826005 -10.77800387 -2.59117066
-0.00023713 0.00062772 -0.00050849
0.04237825 -0.03611479 -0.00306497
-9.46319023 -9.49083591 -1.45953995
0.00062838 -0.00043872 -0.00072562
-0.01050059 0.00971936 -0.00674048
4.39200193 -15.93977091 -14.57472671
-0.00001656 0.00112499 -0.00073199
-0.01286687 -0.01234637 0.03918185
3.56245539 -17.25581325 -11.67832178
-0.00087546 -0.00055517 -0.00005708
-0.00608138 0.02877164 -0.05048621
5.60518250 -6.93256616 -6.08619182
-0.00007397 -0.00005694 0.00043835
0.02412500 0.03388965 -0.00081314
4.94999179 -8.24039548 -3.40547669
0.00009989 0.00004803 0.00001877
0.00432509 0.00761628 -0.04050358
16.95751179 1.97807639 24.75651861
-0.00014437 -0.00013562 0.00013519
-0.00882349 -0.01534931 0.00038040
19.66200447 2.46113555 24.33367384
0.00045249 -0.00021380 0.00011155
0.01556183 -0.00334860 0.00973903
-9.83827128 3.98659666 2.28875016
-0.00015393 -0.00026708 -0.00000692
-0.00299838 0.00115666 0.01087792
-7.19412352 4.19450877 0.94164596
0.00007058 -0.00088748 -0.00015533
-0.00237009 0.01529223 -0.00238192
-6.26612558 14.13546463 -9.03378975
0.00043897 0.00005171 0.00057855
0.02114397 0.00403764 0.02387054
-9.05153406 13.57717637 -9.47337965
0.00126657 0.00007480 -0.00042207
-0.00035106 0.00023364 0.00209122
0.52736707 10.70913313 -7.77387911
0.00004144 -0.00069151 -0.00041265
-0.00023472 0.00335614 -0.00704736
2.95842418 12.11240954 -7.81813487
0.00061001 -0.00059631 -0.00123980
0.01343196 0.01268540 0.01442567
-10.07656062 9.12673570 -13.65271627
-0.00044015 0.00047571 0.00022210
-0.01895580 0.01400428 -0.00899132
-12.59208417 9.71331515 -12.43451526
0.00090790 -0.00032728 -0.00141674
-0.00172561 0.00238843 -0.00479174
7.13257986 6.34885668 14.46560308
-0.00131965 -0.00016708 0.00001909
-0.00866415 0.01008644 0.00630189
7.40119725 4.13111589 12.96258166
0.00022109 -0.00187680 0.00009044
-0.00489553 -0.00726439 0.01336983
-13.79250769 10.43758024 -8.46576239
-0.00097406 -0.00028126 0.00032940
-0.00037766 0.01641907 0.00739925
-16.33750850 9.76331635 -9.87637156
0.00008400 -0.00085203 0.00090250
-0.00602081 -0.00161885 0.00331044
8.11356409 9.84714849 -2.51905312
-0.00039144 0.00027950 0.00039318
-0.00572857 0.02983512 0.01504123
7.79921989 8.34738414 -4.89913739
0.00032820 -0.00086935 -0.00107374
0.01046112 -0.00703624 0.04442718
12.06765651 -19.94916499 -26.23684976
0.00067578 0.00027685 0.00031492
0.01330480 -0.00479086 -0.00431251
13.87314013 -20.45474464 -24.09150023
0.00052235 -0.00079717 -0.00061483
0.00114001 0.00372351 -0.00127933
6.01323290 4.83682707 2.05069198
0.00034847 0.00077019 0.00031417
-0.00322431 0.02899146 0.02742700
6.58546861 7.28949003 0.81952662
0.00063786 0.00087077 -0.00031835
-0.00207871 0.01324468 0.00561604
20.32620113 -6.38727876 -5.75093012
-0.00102467 0.00025089 -0.00013381
0.00897679 -0.00695267 0.01264576
17.60013711 -5.12365824 -5.54189664
-0.00078021 0.00069115 -0.00004230
0.01464591 -0.00870196 -0.01677906
-2.21560988 0.45371929 -1.00868964
-0.00005329 0.00045460 0.00084102
-0.01853218 0.00445638 0.00446661
-2.16064145 1.00114944 -3.99060333
0.00142600 0.00039278 0.00038820
0.00172680 0.01434852 -0.00690180
3.62732670 -3.02716138 -12.23032371
0.00103515 -0.00001262 -0.00019402
0.03042808 -0.02497997 -0.00237408
0.73848530 -2.87357509 -11.50779103
0.00065321 0.00029664 0.00013530
0.02292994 0.02567776 -0.00587905
19.11480963 8.39495022 -6.63342716
0.00046896 0.00036606 0.00020185
0.00026035 -0.00013190 -0.00421915
21.63211344 8.43745948 -5.03810512
-0.00055148 -0.00050239 -0.00048308
-0.03247331 0.02243809 -0.00146140
-7.12401659 4.58311473 9.22331542
0.00058787 -0.00022266 0.00089779
-0.00302946 -0.00175434 0.00211432
-8.06972144 6.34686110 11.42795830
-0.00088349 0.00021262 -0.00025767
0.01069045 0.00057325 -0.04592464
-3.01892819 -16.26432264 10.82092639
0.00123333 -0.00002395 -0.00095605
0.01329555 0.01349125 0.00921899
-4.18443002 -13.77359226 11.34861301
0.00045573 0.00015365 -0.00070345
0.00140388 0.00169442 -0.00053390
8.66610943 0.58692384 -3.17318718
0.00002679 -0.00008546 -0.00080035
-0.00491238 -0.00036520 -0.00862803
7.83637108 1.75290815 -5.92894364
-0.00014234 0.00035610 -0.00039875
0.00362235 -0.01569831 0.02767517
0.64631135 -10.95263857 1.84532618
-0.00123507 -0.00053756 0.00042813
-0.00277645 0.01088424 -0.01616610
0.01708085 -8.54773088 0.09266216
-0.00002677 -0.00040616 -0.00091500
0.00521289 0.01166280 -0.00031711
-20.26758113 -1.50091620 6.58363731
-0.00009463 0.00007174 0.00005493
0.00103415 0.00448660 0.02373925
-21.40744369 0.32002555 4.47972676
-0.00082286 0.00090879 -0.00002030
0.01474491 -0.01468362 0.00717910
-3.72349892 8.43285920 -25.07726782
0.00116355 0.00147972 0.00038677
0.02404501 0.02632138 -0.02687593
-4.50405531 8.79651162 -22.21033793
0.00052580 0.00027063 0.00011439
0.00542446 -0.00414318 -0.01682938
4.35004093 1.53639914 -0.94162096
-0.00006523 0.00063358 -0.00051408
-0.00512221 -0.01827272 -0.00829780
1.22718017 1.01596776 -1.52761900
0.00016823 -0.00039536 0.00004837
0.02448354 -0.00056998 -0.00685032
15.61152567 7.72499306 6.39318351
-0.00041044 -0.00019292 -0.00015897
-0.00003209 -0.01216392 -0.03367154
15.90780062 8.97379127 3.76234250
-0.00049253 -0.00139998 -0.00020137
-0.00747900 -0.01199360 0.00261304
-0.24849411 -11.82242722 -13.13892805
0.00022990 -0.00000507 0.00021776
0.01111898 0.00081081 -0.00057479
-13.95004014 14.41172126 22.27786195
-0.00001466 -0.00013498 0.00016777
0.00014035 -0.00078757 0.00255657
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03131771
0.32587319
434.20969213
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1365711195
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3372811958 (a.u.)
total exchange computation time: 2.7556681633 s
-154.1928929273
-931.35865882
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1365711195
ExchangeOperator: bisection time: 1.430 s
total exchange = -52.3375574128 (a.u.)
total exchange computation time: 2.7573330402 s
-154.1914922181
Anderson extrapolation: theta=1.3722141945 (1.3722141945)
-931.35888381
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1365711195
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3378814149 (a.u.)
total exchange computation time: 2.7559981346 s
-154.1900010383
Anderson extrapolation: theta=0.0589947745 (0.0589947745)
-931.35902183
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1365711195
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3378502019 (a.u.)
total exchange computation time: 2.7599189281 s
-154.1903390177
Anderson extrapolation: theta=2.1426190875 (2.0000000000)
-931.35902804
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1365711195
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3377645664 (a.u.)
total exchange computation time: 2.7563741207 s
-154.1911410877
Anderson extrapolation: theta=0.3101932145 (0.3101932145)
-931.35903540
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0566133721
ExchangeOperator: pair fraction: ispin=0: 0.1365711195
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3377295894 (a.u.)
total exchange computation time: 2.7563500404 s
-154.1913954944
Anderson extrapolation: theta=1.4249933402 (1.4249933402)
-931.35903707
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1370470525
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3383049924 (a.u.)
total exchange computation time: 2.7087700367 s
-154.1922472818
Anderson extrapolation: theta=-0.9696201530 (-0.9696201530)
-931.35965488
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1370470525
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3383392641 (a.u.)
total exchange computation time: 2.7043099403 s
-154.1920093553
Anderson extrapolation: theta=-1.0066243690 (0.0000000000)
-931.35965417
-119.942756 4.761641 -203.857072
-132.254721 460.628313 -802.073953
-252.197477 465.389954 -1005.931025
1136.700754
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1370470525
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3383097982 (a.u.)
total exchange computation time: 2.7062680721 s
678.37906402
-1082.72712735
89.85169359
-389.78583104
-174.73915143
77.75676854
551.60419304
0.00000000
-931.35966202
-10.86878339 -4.33719619 6.66166890
0.00008280 -0.00017006 -0.00012666
0.01059869 -0.00754761 0.00730803
-13.87392125 3.74303807 9.21662468
0.00020470 0.00031134 -0.00020042
-0.00236845 0.01275047 0.00451040
-15.95200412 1.51552102 3.39621364
-0.00008827 0.00031659 -0.00015680
-0.01819972 0.01230314 0.03294928
2.68680142 -19.82323699 12.83388425
0.00022052 0.00020889 0.00019063
-0.01603401 -0.01074007 -0.01325021
9.58433443 20.36596714 1.32267412
0.00014401 -0.00004109 0.00018933
0.00408299 0.00358062 -0.00645183
-12.12701660 12.56055101 15.21620528
0.00001770 0.00006260 0.00017187
0.02084322 -0.00407949 0.02825686
-6.15738761 1.37803431 -12.52883521
0.00016378 -0.00002588 -0.00040804
0.01249012 0.01231533 -0.02734411
-7.47136500 7.70330270 -6.11833257
-0.00015156 -0.00025593 -0.00026501
0.00783813 -0.02548923 0.00295230
-7.78824649 -4.37734325 17.81821881
-0.00008601 -0.00013660 0.00013368
0.00046722 -0.02512363 0.00079339
-23.64201402 -5.27888789 -22.76311368
-0.00020986 -0.00044378 -0.00020940
0.00182918 -0.00587988 0.01759196
6.61266444 12.75926650 5.98667437
0.00017522 -0.00003666 -0.00020696
0.03747794 -0.01969539 0.02663260
24.81773184 30.59351273 -3.04272923
0.00007767 0.00021816 -0.00009495
-0.00309553 -0.03109480 0.01513931
7.93769868 -0.92517054 -14.49771757
0.00009240 0.00019365 0.00005066
-0.00099016 0.00174082 -0.01525547
-7.46944476 -0.86321935 14.17828803
-0.00049135 0.00006264 -0.00027076
-0.00041030 0.02661137 0.02658277
-1.68611879 -26.17516972 11.19242297
0.00010802 0.00005889 -0.00027962
0.01638446 0.00323508 -0.02066073
-13.99346603 -4.42041200 -6.97219236
0.00007780 0.00004123 0.00004214
-0.00914491 -0.00647041 -0.00651966
-19.94220709 -12.65958580 -17.62961817
0.00025213 0.00022954 0.00026472
-0.01195536 0.01288399 0.00230809
22.82012491 3.52839786 3.04803603
0.00014236 0.00014931 0.00021411
-0.00175846 0.01155209 0.00578624
17.59202208 -10.44898081 -14.39506975
-0.00030432 -0.00036719 0.00008475
0.00650770 -0.00626684 0.03359340
-1.92103292 1.72453966 -7.04249726
0.00012200 -0.00016019 -0.00007893
0.02380241 0.01515074 -0.01275600
-4.39317334 -2.98455071 -15.66626779
-0.00026390 0.00008867 -0.00011289
0.01680632 0.02805337 0.00434227
13.41100559 17.36230064 -19.84946448
-0.00000535 0.00023471 0.00021225
0.00420783 0.00548220 -0.00899724
-15.86835445 16.17756765 -12.02953419
0.00046728 0.00011771 0.00014428
0.01352791 -0.01716596 -0.05313458
2.14210743 14.71004351 7.59138355
0.00024096 0.00032600 0.00004194
-0.06275583 0.02932216 -0.00045167
-5.37931524 -9.74289536 2.32065239
-0.00004619 -0.00018354 0.00020460
0.02384622 -0.06821938 0.02924957
3.03372644 -6.54727773 2.74480396
-0.00007246 0.00024986 0.00021536
0.01783854 -0.00899341 -0.02285901
10.81027341 5.07576034 4.41213546
-0.00030010 0.00041780 -0.00003991
-0.01121997 0.02116384 0.00067714
-8.53736674 -9.51808781 -3.05312109
-0.00008756 0.00021463 -0.00029692
-0.03591016 0.02446966 0.00862694
3.21272493 -15.92350698 -13.10472933
0.00010229 0.00007932 0.00016866
0.00927470 -0.01318565 0.00978550
4.74319729 -8.25167908 -5.28980590
-0.00019777 0.00025564 0.00042932
-0.03055631 -0.04068171 0.03975659
18.52567796 1.04096272 24.57888128
-0.00012456 0.00026275 -0.00022960
-0.00857515 0.00973066 -0.00076820
-8.62417680 3.11965392 1.20069428
-0.00009986 0.00002197 -0.00002484
0.01795464 -0.02715137 -0.02323892
-7.52503398 14.19527758 -10.27242810
0.00020428 -0.00016200 0.00030767
-0.00778610 -0.00272502 -0.02847689
1.70577307 11.49451543 -8.95042413
0.00004429 0.00021695 0.00028677
-0.01998489 -0.01389660 -0.01298794
-11.60218513 10.21025469 -13.90691190
0.00020290 0.00012448 0.00008726
0.02195413 -0.01618735 0.00854284
6.79238064 4.55354859 14.70182313
-0.00016505 0.00040741 -0.00021612
0.01971312 -0.02683814 -0.02936663
-14.92630391 9.07737981 -8.95858081
-0.00021608 -0.00016082 0.00010144
0.00785589 -0.01197570 -0.00953803
8.47012506 8.20707816 -3.09520267
-0.00001234 -0.00001161 -0.00002506
-0.00546912 -0.01527994 -0.05402323
13.81307058 -20.47238053 -25.94936624
-0.00001975 0.00000145 -0.00007822
-0.01013158 0.00609393 0.00732325
6.12774578 6.72656280 2.51580260
-0.00019738 0.00000321 -0.00033326
0.01018437 -0.03854681 -0.03892561
18.92514488 -5.83127252 -6.72552768
-0.00022156 -0.00016388 -0.00014029
-0.03371438 0.01625003 0.00563368
-1.69038774 -0.14293113 -2.63507901
0.00003844 -0.00036873 0.00012535
0.01498773 -0.01883386 0.02868152
2.37623961 -1.79455962 -12.03240357
-0.00006385 0.00003726 0.00018361
-0.03709355 -0.00497388 0.00430653
19.96062696 9.39706943 -5.37430082
-0.00059898 0.00003244 -0.00026656
0.05040318 -0.01882160 0.00428858
-7.65476918 6.34851432 9.53395278
-0.00029009 -0.00016388 0.00023728
-0.01058075 -0.00138214 0.04848312
-2.53811600 -14.56597208 11.42725056
-0.00011017 -0.00004683 -0.00004961
-0.01530984 -0.02134153 -0.00398378
8.11685033 0.17281064 -4.86884307
0.00002032 -0.00030626 0.00025925
-0.00743569 0.02406966 -0.02242660
-0.17106957 -10.34297144 0.26052867
-0.00016289 -0.00040028 -0.00014566
-0.00420621 -0.03235058 0.01910914
-20.27298880 -1.14459916 4.81152173
-0.00011737 0.00014663 0.00004779
-0.01272541 0.01571136 -0.03272065
-4.55618188 7.70940101 -23.68705355
-0.00014480 -0.00014010 -0.00000057
-0.03066935 -0.02066446 0.05039966
2.65918172 2.14491674 -1.02687910
0.00036222 -0.00023924 0.00025956
-0.01575403 0.02076613 -0.00217295
15.48430356 7.33032816 4.51218820
-0.00001671 0.00005256 -0.00019264
0.00375470 0.01900743 0.03520023
-9.91320022 -4.53632089 8.22625033
-0.00040690 0.00026970 0.00121094
-0.00383239 0.00161483 -0.01319292
-9.71360759 -4.56267189 5.18194466
0.00091749 -0.00167731 0.00121106
-0.00707567 0.00073694 0.01501851
-12.61104381 4.56944635 8.20295724
0.00017637 -0.00099555 -0.00049863
0.00332303 0.00400589 -0.00079592
-13.85371246 2.03106850 8.56538088
0.00014971 0.00067549 0.00030894
0.00048072 -0.01543896 0.00461722
-15.48035348 2.30355881 5.09212281
-0.00002088 0.00026506 0.00029710
-0.01090295 -0.02360218 -0.03609803
-17.61623982 0.56396717 3.76788789
-0.00017817 0.00064497 -0.00025305
0.02818902 0.01252506 0.00186157
3.06098296 -21.51391449 12.05253138
-0.00016423 -0.00111729 0.00047695
-0.00315656 0.01495677 0.00522134
3.95907990 -19.19331900 13.96325184
0.00014168 0.00045968 -0.00168154
0.01091910 -0.00137228 0.00671998
8.73523802 18.75283946 1.08522141
-0.00088612 0.00061293 0.00006502
-0.00565582 0.00594038 0.00123288
8.52572114 21.59288554 2.23343544
-0.00105648 -0.00053277 0.00097540
-0.00310603 -0.00795916 -0.00192181
-11.37624546 11.89422191 16.82189707
-0.00039508 0.00095527 0.00013350
-0.00343891 0.00875223 -0.02544004
-12.60927073 14.24064590 15.78367653
-0.00019137 -0.00025711 -0.00047718
-0.00588923 0.00470670 -0.00853526
-5.08521993 0.16446737 -13.40846238
0.00027340 -0.00023565 -0.00064270
-0.01242653 0.00638873 0.01023380
-6.61191002 0.67679936 -10.92457992
-0.00026369 -0.00022514 0.00109771
-0.00468718 -0.01377646 0.02022648
-6.98409690 6.23870635 -5.06281687
-0.00041910 0.00028711 -0.00051520
-0.00154516 0.01440105 -0.01227835
-9.05316487 8.12900893 -5.36577810
0.00037624 0.00025663 0.00000056
-0.01051396 0.00575501 0.00291618
-7.85412265 -3.06952660 19.05526167
0.00079194 -0.00073556 -0.00048142
-0.00287718 0.00530533 0.00779121
-8.41448170 -5.95110200 18.59916622
-0.00062593 0.00105647 0.00023946
0.00890597 0.01440421 -0.00512723
-23.71579538 -3.62479390 -23.49238624
-0.00071011 0.00033608 -0.00006661
-0.00278779 0.01181626 -0.01374666
-23.01027872 -4.91723529 -21.07845212
-0.00008861 0.00064131 -0.00073961
-0.00116266 -0.00300012 -0.00509418
7.17258320 13.27030871 4.35500338
0.00020083 0.00038320 -0.00014414
0.00231968 0.00777250 -0.02068808
8.22996374 11.92969497 6.64471788
-0.00027175 -0.00015161 0.00084119
-0.03087947 0.01177659 -0.00918192
24.95792399 28.84612785 -2.33743733
0.00010068 -0.00005090 -0.00036654
-0.00257654 0.02685071 -0.01395277
24.09950962 31.58476076 -1.66392343
0.00001452 -0.00010886 -0.00073892
-0.00248764 0.00224352 -0.00524816
9.06046135 -1.79048358 -15.69067670
-0.00057976 0.00145037 -0.00059796
0.00357511 0.00211924 0.00873901
7.68670453 -2.22712749 -13.28798122
-0.00119125 -0.00122659 -0.00051173
-0.00402386 -0.00857753 0.01292544
-7.57115915 0.10235236 15.86092225
0.00119654 0.00103391 -0.00068283
0.00406104 -0.01787064 -0.03573374
-8.76741885 -2.10972689 14.42081288
0.00094001 -0.00011966 -0.00048386
0.00016489 -0.00580717 -0.00175511
-2.19877881 -26.78458457 12.84706271
0.00048604 -0.00023044 -0.00028698
-0.01842213 -0.00479203 0.00769044
-2.98567317 -25.94437278 9.92606119
0.00067333 -0.00026543 0.00007898
-0.00447005 -0.00218356 0.00678726
-14.69908950 -2.81588381 -6.35261669
0.00057878 0.00013480 -0.00044845
0.01169761 -0.00553526 -0.00229253
-14.46552578 -4.66574437 -8.73355395
0.00043536 0.00029426 -0.00025734
-0.00043938 0.00406820 0.00227873
-19.51393863 -11.01704666 -16.92823797
-0.00114611 -0.00086016 -0.00032089
0.00662942 -0.00423714 0.00022473
-18.31277408 -13.41005398 -17.99472523
-0.00012377 -0.00083839 -0.00001345
0.00227761 -0.00246794 -0.00568731
24.11605831 3.64961054 1.73713634
-0.00008518 -0.00066051 -0.00087717
-0.00706558 -0.00944431 -0.00614476
22.86010403 5.11382367 3.91936613
-0.00071764 -0.00008635 0.00089894
-0.00166147 0.00545674 0.00823381
16.35461785 -9.86938008 -13.12318023
0.00098131 0.00049964 -0.00110053
0.00465329 0.00367408 -0.01240344
17.01604534 -10.09330762 -16.04860467
-0.00021986 0.00043642 0.00045609
-0.01120041 0.01078005 -0.01841153
-0.16663134 1.82754470 -7.83109420
0.00046314 -0.00083865 0.00053784
-0.02105305 0.00408450 0.00943010
-2.27586161 -0.03324021 -7.00580774
-0.00000189 0.00000240 -0.00057321
-0.00724118 -0.01636511 -0.01140731
-5.16691142 -4.22116008 -16.68960008
0.00101342 -0.00044680 0.00029225
-0.01218749 -0.01366275 -0.01247641
-4.13792147 -1.52549386 -16.80060161
-0.00104564 -0.00024063 -0.00064273
0.00029511 -0.01338806 0.00358682
12.44835529 18.91737064 -20.31344430
0.00048440 0.00011277 0.00069294
0.00518948 -0.00664542 0.00263999
12.16333249 16.07488587 -20.21530349
0.00074860 -0.00103781 -0.00026259
-0.00166755 -0.00315962 -0.00261793
-15.31136793 15.68765902 -13.88494617
0.00035287 0.00007933 -0.00006362
-0.00781248 0.01230175 0.05091492
-17.31529456 15.03530868 -12.04333503
0.00100222 0.00062582 0.00042170
-0.00131608 0.00864235 0.00507206
2.31635077 15.03527339 5.78540165
0.00042488 -0.00047611 -0.00041310
0.02126694 -0.00861541 -0.00739759
0.63810782 15.90376294 7.77339275
-0.00012783 -0.00007882 0.00015600
0.02884594 -0.02867439 0.01458574
-5.70887411 -8.19758098 1.62227466
0.00084134 -0.00035566 0.00117442
-0.00785130 0.05489618 -0.02579322
-3.64256516 -10.24711212 1.84457760
-0.00015375 -0.00027832 -0.00011507
-0.00782687 0.01597290 -0.00420988
3.17489061 -4.77831342 2.93896507
0.00110231 -0.00208546 0.00009393
-0.00810080 0.03009356 0.00954448
4.58037709 -6.80212878 1.68969882
0.00014853 -0.00096019 0.00082772
-0.01072896 -0.01264977 0.00849051
9.39383661 5.88906358 3.51297848
0.00096974 0.00019450 -0.00036317
0.00393558 -0.00047678 0.01265641
12.06058821 6.42733849 4.70882134
0.00017213 0.00026346 -0.00003355
-0.00323870 -0.00795705 -0.00212749
-7.41051841 -10.76969468 -2.59889188
-0.00005841 0.00047499 -0.00052050
0.04510877 -0.03864816 -0.00281349
-9.45408627 -9.49711892 -1.47063074
0.00057888 -0.00039778 -0.00074353
-0.01373251 0.01032088 -0.00202781
4.39135927 -15.92327436 -14.58450592
-0.00007268 0.00107268 -0.00056568
-0.01460392 -0.01326300 0.04222819
3.54913711 -17.26325909 -11.68072501
-0.00089799 -0.00043798 -0.00026350
-0.00494525 0.02859147 -0.05056000
5.60481227 -6.93238180 -6.07964145
0.00002575 0.00008298 0.00043404
0.02468550 0.03460188 -0.00129772
4.95162268 -8.23944164 -3.40643628
0.00011803 0.00007920 -0.00014128
0.00455284 0.00764295 -0.03784395
16.95507587 1.97557169 24.75855805
-0.00018110 -0.00019600 0.00013652
-0.00915639 -0.01420627 0.00027472
19.66926866 2.45782595 24.33564546
0.00051509 -0.00022589 0.00015171
0.01507966 -0.00257015 0.00992312
-9.84067215 3.98262584 2.28897975
-0.00016538 -0.00026128 0.00003776
-0.00260515 0.00168243 0.01099149
-7.19313745 4.18166518 0.93924308
0.00006498 -0.00082061 -0.00016537
-0.00037021 0.01743891 -0.00253495
-6.25889313 14.13636406 -9.02438006
0.00051984 0.00006857 0.00067035
0.01844423 0.00421523 0.02106623
-9.03254625 13.57830549 -9.47964661
0.00124811 0.00006884 -0.00040485
-0.00868724 -0.00315023 0.00633729
0.52798142 10.69886331 -7.78028489
0.00004220 -0.00067644 -0.00043944
0.00060897 0.00402085 -0.00606221
2.96798586 12.10385368 -7.83628976
0.00067216 -0.00054114 -0.00117123
0.01699430 0.01432087 0.01913724
-10.08374374 9.13430054 -13.64966026
-0.00050870 0.00052829 0.00018488
-0.01460011 0.01173135 -0.00922686
-12.57851855 9.70847921 -12.45591321
0.00088720 -0.00032240 -0.00141828
-0.00840668 -0.00000327 0.00403777
7.11251964 6.34665960 14.46608258
-0.00135161 -0.00011753 0.00004036
-0.00698123 0.01416489 0.00410806
7.40436365 4.10274122 12.96434802
0.00020026 -0.00189957 0.00014973
-0.00530381 -0.00388060 0.01565136
-13.80713016 10.43386451 -8.46059468
-0.00097102 -0.00020968 0.00036109
0.00186421 0.01861872 0.00811180
-16.33643296 9.75048633 -9.86273267
0.00004826 -0.00085319 0.00090827
-0.01147749 0.00105151 -0.00048402
8.10751694 9.85225519 -2.51269454
-0.00041366 0.00039208 0.00044882
-0.00514739 0.02527647 0.01219383
7.80446348 8.33412833 -4.91388211
0.00037309 -0.00089560 -0.00088366
0.01151420 -0.00581451 0.04861715
12.07820086 -19.94515900 -26.23225805
0.00072078 0.00025998 0.00029591
0.00872245 -0.00347085 -0.00499570
13.88101026 -20.46658810 -24.10076190
0.00052710 -0.00078185 -0.00061376
0.00118538 0.00377656 0.00180388
6.01836116 4.84926831 2.05624500
0.00033442 0.00088041 0.00042219
-0.00365278 0.02496331 0.02545068
6.59497288 7.30295745 0.81492341
0.00062700 0.00092090 -0.00028925
-0.00324039 0.01129361 0.00863097
20.31110619 -6.38372847 -5.75254979
-0.00097756 0.00021833 -0.00007483
0.01408166 -0.00898709 0.01622600
17.58888274 -5.11355763 -5.54304525
-0.00071536 0.00065192 -0.00011546
0.01709904 -0.01050001 -0.01903641
-2.21697718 0.46067487 -0.99593755
-0.00012454 0.00046769 0.00084599
-0.01634160 0.00195088 -0.00202973
-2.13919856 1.00748078 -3.98499187
0.00143224 0.00045138 0.00035827
0.00132663 0.01433611 -0.00774737
3.64378634 -3.02811608 -12.23330680
0.00114614 -0.00010292 -0.00020158
0.02390250 -0.01922253 -0.00132373
0.74898616 -2.86833869 -11.50594170
0.00074389 0.00039845 0.00011176
0.02145504 0.02416032 -0.00564479
19.12185208 8.40043708 -6.63052875
0.00046018 0.00035708 0.00017330
-0.00456023 -0.00426222 -0.00975253
21.62284616 8.43061125 -5.04539614
-0.00068494 -0.00040826 -0.00048824
-0.03285417 0.02363544 -0.00106249
-7.11529144 4.57972111 9.23684704
0.00057473 -0.00022798 0.00090619
-0.00339890 -0.00085162 0.00199968
-8.08264621 6.35006789 11.42268594
-0.00084005 0.00021493 -0.00044069
0.01057652 0.00055800 -0.04366299
-3.00002079 -16.26426845 10.80686816
0.00128530 0.00003112 -0.00091798
0.01214501 0.01346473 0.00941806
-4.17755106 -13.77123560 11.33804488
0.00045543 0.00016126 -0.00070608
-0.00154874 0.00203090 -0.00075149
8.66636071 0.58563068 -3.18545687
0.00001147 -0.00008375 -0.00082121
-0.00258706 0.00120476 -0.00158219
7.83434701 1.75776860 -5.93407679
-0.00012624 0.00028399 -0.00028011
0.00425630 -0.01959866 0.03040027
0.62770026 -10.96036852 1.85125276
-0.00124535 -0.00049190 0.00036091
-0.00225719 0.01146997 -0.01674093
0.01683897 -8.55346586 0.07892751
-0.00000563 -0.00035998 -0.00091493
0.00513807 0.01093946 0.00034810
-20.26896891 -1.49970262 6.58518877
-0.00009081 0.00009057 0.00015014
0.00083485 0.00472840 0.02286550
-21.41933475 0.33320745 4.47964221
-0.00075494 0.00083983 0.00001131
0.01850020 -0.01907438 0.00829406
-3.70530879 8.45586154 -25.07228981
0.00125239 0.00157766 0.00028933
0.01943991 0.02162220 -0.02082072
-4.49600210 8.80044417 -22.20913778
0.00054637 0.00024956 0.00004383
0.00464581 -0.00617437 -0.01770826
4.34890552 1.54534293 -0.94958642
-0.00007394 0.00055445 -0.00054761
0.00085827 -0.02046461 -0.00811488
1.23045392 1.01001986 -1.52710335
0.00027060 -0.00039601 0.00002117
0.02562741 0.00025472 -0.00646489
15.60536806 7.72172648 6.38976712
-0.00041017 -0.00024171 -0.00029572
0.00016520 -0.01171748 -0.03326592
15.90018351 8.95242412 3.75940205
-0.00051818 -0.00143088 -0.00019818
-0.00507559 -0.00313589 -0.00105283
-0.24501576 -11.82250106 -13.13566321
0.00023391 -0.00000476 0.00021756
0.01127209 0.00088943 -0.00055787
-13.95025978 14.40969518 22.28038300
-0.00001465 -0.00013518 0.00016837
-0.00005943 -0.00093657 0.00258119
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03225720
0.32740482
436.25050169
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1370470525
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3565569167 (a.u.)
total exchange computation time: 2.7063760757 s
-154.2616831490
-931.35920235
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1370470525
ExchangeOperator: bisection time: 1.430 s
total exchange = -52.3565717657 (a.u.)
total exchange computation time: 2.7055850029 s
-154.2621693397
Anderson extrapolation: theta=1.3741176106 (1.3741176106)
-931.35942123
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1370470525
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3565114804 (a.u.)
total exchange computation time: 2.7061519623 s
-154.2633964568
Anderson extrapolation: theta=0.0685987718 (0.0685987718)
-931.35956004
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1370470525
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3564393177 (a.u.)
total exchange computation time: 2.7055261135 s
-154.2639865382
Anderson extrapolation: theta=2.4465139475 (2.0000000000)
-931.35956856
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1370470525
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3562694442 (a.u.)
total exchange computation time: 2.7066600323 s
-154.2652915228
Anderson extrapolation: theta=0.4968734076 (0.4968734076)
-931.35958049
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1370470525
ExchangeOperator: bisection time: 1.430 s
total exchange = -52.3561849666 (a.u.)
total exchange computation time: 2.7055561543 s
-154.2658651145
Anderson extrapolation: theta=0.9152704272 (0.9152704272)
-931.35958446
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1370470525
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3561259808 (a.u.)
total exchange computation time: 2.7051239014 s
-154.2661853174
Anderson extrapolation: theta=0.6264915250 (0.6264915250)
-931.35958710
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1370470525
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3561111262 (a.u.)
total exchange computation time: 2.7048571110 s
-154.2661711217
Anderson extrapolation: theta=0.6528207254 (0.6528207254)
-931.35958821
-164.278429 4.721128 -248.256628
-132.204800 460.626646 -802.139705
-296.483230 465.347775 -1050.396333
1186.500448
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1370470525
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3561190897 (a.u.)
total exchange computation time: 2.7056469917 s
678.66172760
-1083.32557526
89.82306483
-389.37695249
-174.78573426
78.08605027
551.60419304
0.00000000
-931.35958867
-10.86750050 -4.33977615 6.65979726
0.00008876 -0.00017410 -0.00012108
0.01258767 -0.00816758 0.01438373
-13.87085991 3.74775742 9.21363585
0.00020297 0.00031812 -0.00019747
-0.00436980 0.01361535 0.00694845
-15.95339836 1.52031733 3.39398877
-0.00009737 0.00032306 -0.00013946
-0.01718662 0.01285598 0.03447922
2.69004736 -19.82014509 12.83669259
0.00021087 0.00020123 0.00018186
-0.02148530 -0.01902593 -0.02085008
9.58651027 20.36536465 1.32548925
0.00014492 -0.00003833 0.00018682
-0.00051724 0.00715047 -0.00334294
-12.12667064 12.56147420 15.21889228
0.00002816 0.00006017 0.00018550
0.01980954 -0.00535274 0.02474328
-6.15488280 1.37769364 -12.53506123
0.00016964 -0.00002085 -0.00041963
0.01033224 0.00723380 -0.01772356
-7.47360814 7.69936550 -6.12229637
-0.00014753 -0.00026824 -0.00026426
0.00782013 -0.02239790 -0.00003041
-7.78953489 -4.37948913 17.82022712
-0.00008530 -0.00014964 0.00013233
0.00232430 -0.02558470 -0.00606789
-23.64515492 -5.28556729 -22.76618684
-0.00020911 -0.00044533 -0.00020130
0.00110924 -0.00015091 0.01389260
6.61543728 12.75864062 5.98367275
0.00019429 -0.00004665 -0.00019324
0.03666844 -0.01915107 0.02669711
24.81888497 30.59666520 -3.04409509
0.00007653 0.00020138 -0.00008814
-0.00133283 -0.03417277 0.01135675
7.93908080 -0.92225907 -14.49701646
0.00009099 0.00019378 0.00004472
-0.00448969 -0.00124966 -0.00784230
-7.47681652 -0.86217707 14.17432909
-0.00048973 0.00007783 -0.00025772
0.00667719 0.03246846 0.02414122
-1.68443536 -26.17427383 11.18814894
0.00011736 0.00006035 -0.00028915
0.01996838 0.00241115 -0.01637659
-13.99233423 -4.41981843 -6.97158538
0.00007318 0.00003748 0.00003825
-0.00884196 -0.00811589 -0.00860766
-19.93847132 -12.65609302 -17.62563846
0.00024524 0.00023317 0.00026470
-0.01481117 0.00124795 -0.00238810
22.82225360 3.53068210 3.05127003
0.00014171 0.00015513 0.00021664
-0.00080252 0.01106807 0.00405208
17.58748238 -10.45451281 -14.39366890
-0.00029948 -0.00037117 0.00010057
0.01232739 -0.00919763 0.02792942
-1.91911108 1.72219529 -7.04373043
0.00013446 -0.00015234 -0.00008539
0.02465329 0.01536902 -0.01237546
-4.39706701 -2.98311246 -15.66794447
-0.00025502 0.00010361 -0.00011027
0.01771676 0.03003559 0.00587771
13.41094153 17.36584239 -19.84631543
-0.00000303 0.00023608 0.00020763
0.00482285 -0.00014085 -0.00895734
-15.86129304 16.17926704 -12.02757495
0.00047536 0.00010980 0.00011686
0.01790214 -0.01359343 -0.05349925
2.14547973 14.71504656 7.59201094
0.00020885 0.00034094 0.00004129
-0.06208932 0.02877405 -0.00208702
-5.37991609 -9.74591155 2.32383424
-0.00003369 -0.00021995 0.00022009
0.02473956 -0.07340054 0.03099748
3.03270841 -6.54356456 2.74794612
-0.00006363 0.00024002 0.00020301
0.01649595 -0.02926222 -0.02515209
10.80572861 5.08210897 4.41153945
-0.00030442 0.00042823 -0.00003883
-0.00558051 0.01938554 0.00352354
-8.53881862 -9.51477390 -3.05754154
-0.00010542 0.00022725 -0.00029362
-0.03353437 0.02459570 0.00416834
3.21429510 -15.92236796 -13.10216165
0.00010702 0.00007294 0.00017299
0.00911001 -0.01164653 0.00703534
4.74011283 -8.24800145 -5.28321275
-0.00021344 0.00023495 0.00044870
-0.03038637 -0.03976451 0.03560798
18.52377647 1.04494143 24.57543438
-0.00012857 0.00026725 -0.00023027
-0.00703107 0.00780083 -0.00185301
-8.62560543 3.11987875 1.20023206
-0.00009125 0.00000746 -0.00003668
0.01553077 -0.02928949 -0.02279825
-7.52199976 14.19283711 -10.26792289
0.00020342 -0.00016250 0.00029277
0.00441615 0.00076598 -0.02945446
1.70636036 11.49771603 -8.94617266
0.00003301 0.00020934 0.00027879
-0.02388564 -0.01570107 -0.01804040
-11.59905697 10.21205951 -13.90557005
0.00021472 0.00011758 0.00008933
0.02399968 -0.01064713 -0.00050208
6.78998097 4.55955618 14.69846807
-0.00015511 0.00039163 -0.00023117
0.01891523 -0.03452560 -0.02917816
-14.92951484 9.07492125 -8.95709602
-0.00021110 -0.00016802 0.00009728
0.01151771 -0.01601196 -0.00661775
8.46991881 8.20684506 -3.09578702
-0.00001549 -0.00001835 -0.00005276
-0.00676849 -0.01092899 -0.05368698
13.81273522 -20.47233530 -25.95051133
-0.00002364 0.00000416 -0.00007514
-0.00498513 0.00444948 0.00467689
6.12482432 6.72646221 2.51065359
-0.00019185 -0.00001475 -0.00035342
0.01134916 -0.03127778 -0.03947589
18.92169136 -5.83366811 -6.72761036
-0.00024056 -0.00015472 -0.00013778
-0.04016053 0.01939378 0.00414179
-1.68975340 -0.14853465 -2.63308808
0.00004568 -0.00037774 0.00014152
0.01319173 -0.01620771 0.03418411
2.37513876 -1.79401986 -12.02963283
-0.00008050 0.00003356 0.00018544
-0.02764683 -0.00944386 0.00281888
19.95183665 9.39748348 -5.37828274
-0.00057192 0.00002366 -0.00026300
0.05481433 -0.01534493 0.00957763
-7.65916136 6.34605077 9.53769906
-0.00029526 -0.00016489 0.00026130
-0.00952042 -0.00252694 0.04491118
-2.53982766 -14.56675679 11.42649104
-0.00011698 -0.00005776 -0.00005156
-0.01117374 -0.02118951 -0.00361107
8.11712641 0.16830959 -4.86504087
0.00001570 -0.00029341 0.00024527
-0.01052808 0.02590519 -0.03193703
-0.17352916 -10.34910035 0.25841749
-0.00016519 -0.00041665 -0.00013598
-0.00473514 -0.03132115 0.01851345
-20.27479841 -1.14233905 4.81211231
-0.00012468 0.00015558 0.00003114
-0.01568881 0.01908593 -0.03201975
-4.55847222 7.70721974 -23.68686770
-0.00015907 -0.00014896 0.00002362
-0.02480597 -0.01379111 0.04367414
2.66455418 2.14140821 -1.02299406
0.00035231 -0.00022821 0.00025841
-0.02274912 0.02213980 -0.00230701
15.48406745 7.33118994 4.50943444
-0.00001552 0.00005965 -0.00017369
0.00084848 0.00854904 0.03849441
-9.91942122 -4.53222591 8.24401017
-0.00042851 0.00027729 0.00114703
-0.00674492 0.00209817 -0.01809051
-9.70006199 -4.58780899 5.20057071
0.00088966 -0.00167334 0.00126837
-0.00654945 0.00120952 0.01303625
-12.60829636 4.55463589 8.19545343
0.00019523 -0.00097407 -0.00050533
0.00590728 0.00650643 -0.00248523
-13.85145210 2.04072779 8.57015643
0.00015037 0.00060533 0.00032633
-0.00015840 -0.01890523 0.00389599
-15.48100073 2.30681147 5.09547318
-0.00006623 0.00016750 0.00014659
-0.01129935 -0.02415222 -0.03757856
-17.61804859 0.57402559 3.76414916
-0.00006424 0.00069514 -0.00024517
0.02758038 0.01202954 0.00199711
3.05842280 -21.53021545 12.05984566
-0.00017900 -0.00104642 0.00050109
-0.00407195 0.01973346 0.00659402
3.96153973 -19.18646580 13.93823459
0.00019864 0.00046006 -0.00164201
0.01696152 0.00155523 0.01263380
8.72177283 18.76221537 1.08623447
-0.00090710 0.00063478 0.00006904
-0.00461243 0.00476002 0.00073586
8.50977876 21.58465014 2.24800749
-0.00106192 -0.00056892 0.00096207
0.00044531 -0.00974029 -0.00460337
-11.38227701 11.90881910 16.82311996
-0.00040617 0.00098732 0.00003493
-0.00199230 0.00693860 -0.02280808
-12.61232173 14.23693348 15.77625722
-0.00021707 -0.00023203 -0.00051061
-0.00669324 0.00756819 -0.00782653
-5.08149976 0.16112840 -13.41778926
0.00022016 -0.00020742 -0.00059795
-0.01363583 0.00743135 0.01167136
-6.61600906 0.67300015 -10.90749451
-0.00027638 -0.00027348 0.00115868
-0.00152333 -0.00988747 0.00962082
-6.99043081 6.24345431 -5.07092119
-0.00042236 0.00033882 -0.00056033
-0.00005033 0.01091147 -0.00981027
-9.04784342 8.13303475 -5.36568038
0.00033024 0.00028156 0.00001368
-0.01200551 0.00644865 0.00350640
-7.84233165 -3.08039748 19.04827918
0.00077993 -0.00070189 -0.00043969
-0.00300498 0.01117591 0.01263409
-8.42359768 -5.93481362 18.60260094
-0.00059277 0.00110518 0.00022198
0.00732358 0.00944079 -0.00342499
-23.72653242 -3.61939055 -23.49380657
-0.00072152 0.00037374 -0.00012005
-0.00279807 0.00661657 -0.01241593
-23.01164349 -4.90770750 -21.08970235
-0.00009168 0.00062794 -0.00075578
-0.00034121 -0.00354554 -0.00282213
7.17566672 13.27629489 4.35220736
0.00021142 0.00041337 -0.00022610
0.00286346 0.00699781 -0.01943214
8.22494132 11.92778168 6.65705438
-0.00039709 -0.00010262 0.00080075
-0.03047689 0.01220461 -0.01061633
24.95935528 28.84618718 -2.34336298
0.00009006 0.00006044 -0.00042334
-0.00262461 0.02764755 -0.01385360
24.09965115 31.58319655 -1.67516797
0.00000090 -0.00009511 -0.00075286
-0.00417801 0.00449068 -0.00157681
9.05187453 -1.76866313 -15.69937830
-0.00056098 0.00145447 -0.00056612
0.00561475 -0.00011294 0.00684714
7.66871255 -2.24578916 -13.29526107
-0.00120438 -0.00125141 -0.00047024
-0.00240345 -0.00357475 0.00738105
-7.55308668 0.11731339 15.84958485
0.00120929 0.00095813 -0.00082795
0.00218186 -0.01922184 -0.03530322
-8.75331368 -2.11169968 14.41350117
0.00092984 -0.00015217 -0.00048677
-0.00514352 -0.01010820 0.00033140
-2.19205273 -26.78818797 12.84299369
0.00041031 -0.00024999 -0.00025643
-0.01864620 -0.00478138 0.00726445
-2.97571018 -25.94842121 9.92745384
0.00064706 -0.00027303 0.00009984
-0.00838905 -0.00153367 0.00342720
-14.69004936 -2.81403140 -6.35941365
0.00062505 0.00011538 -0.00045576
0.01095134 -0.00397361 -0.00128630
-14.45900886 -4.66120575 -8.73734427
0.00043437 0.00031070 -0.00024558
-0.00004678 0.00397627 0.00348066
-19.53092714 -11.03007889 -16.93304451
-0.00111135 -0.00085740 -0.00031158
0.01038815 0.00558879 0.00433318
-18.31456091 -13.42270540 -17.99510127
-0.00011619 -0.00084507 -0.00003588
0.00143447 -0.00080442 -0.00529218
24.11456414 3.63941349 1.72379049
-0.00011822 -0.00069703 -0.00089619
-0.00910982 -0.00843181 -0.00316397
22.84928846 5.11269565 3.93310257
-0.00072223 -0.00006583 0.00092917
-0.00058152 0.00458711 0.00656142
16.36948006 -9.86177295 -13.14006832
0.00098814 0.00051956 -0.00113674
-0.00130687 0.00607659 -0.00531845
17.01240430 -10.08643094 -16.04232750
-0.00026512 0.00048032 0.00037736
-0.01095497 0.01070724 -0.02012844
-0.16032937 1.81509007 -7.82273766
0.00037695 -0.00082008 0.00057583
-0.02113600 0.00500496 0.00916802
-2.27611188 -0.03370565 -7.01475542
-0.00003288 -0.00006631 -0.00061884
-0.00792993 -0.01727082 -0.01093074
-5.15208353 -4.22828081 -16.68559865
0.00096097 -0.00050787 0.00023775
-0.01349122 -0.01623082 -0.01420175
-4.15359702 -1.52951354 -16.81013268
-0.00104375 -0.00029446 -0.00062790
0.00062826 -0.01296180 0.00367599
12.45578036 18.91885856 -20.30296933
0.00050095 0.00008778 0.00070242
0.00291101 -0.00558652 0.00200119
12.17451046 16.05922182 -20.21932256
0.00074567 -0.00104253 -0.00027216
0.00023059 0.00085050 -0.00206446
-15.30631424 15.68922592 -13.88434029
0.00032111 0.00012937 0.00014451
-0.00773781 0.01219307 0.05096634
-17.30030153 15.04496087 -12.03685417
0.00098784 0.00065411 0.00044251
-0.00572337 0.00520562 0.00511722
2.32337561 15.02786767 5.77897840
0.00050988 -0.00051086 -0.00043829
0.02034466 -0.00839283 -0.00493251
0.63707428 15.90170192 7.77617973
-0.00000924 -0.00019525 0.00021399
0.02920673 -0.02831962 0.01379811
-5.69649459 -8.20123363 1.63910060
0.00080682 -0.00011916 0.00106451
-0.00904417 0.06086894 -0.02800708
-3.64511123 -10.25079740 1.84272250
-0.00018561 -0.00021376 -0.00013165
-0.00777049 0.01562599 -0.00390391
3.19117697 -4.80867316 2.94066644
0.00107219 -0.00192118 0.00013784
-0.00664314 0.05032441 0.01195075
4.58227629 -6.81691923 1.70237472
0.00010460 -0.00101240 0.00086147
-0.01077649 -0.01290566 0.00803170
9.40850324 5.89196654 3.50791870
0.00097633 0.00019763 -0.00031700
-0.00070605 0.00200475 0.00994854
12.06307098 6.43104654 4.70825286
0.00015744 0.00022890 -0.00004268
-0.00395184 -0.00896106 -0.00234113
-7.41001222 -10.76375410 -2.60678552
0.00012807 0.00031547 -0.00053245
0.04617198 -0.03943969 -0.00304029
-9.44582393 -9.50276940 -1.48184580
0.00051638 -0.00035477 -0.00074193
-0.01685874 0.01073195 0.00280915
4.38982159 -15.90759064 -14.59169713
-0.00013479 0.00101666 -0.00038850
-0.01580085 -0.01415479 0.04450137
3.53551575 -17.26895266 -11.68622686
-0.00091570 -0.00032248 -0.00046894
-0.00372623 0.02794440 -0.05000465
5.60595492 -6.93007683 -6.07317062
0.00012597 0.00022311 0.00042912
0.02437620 0.03399547 -0.00110949
4.95353260 -8.23801940 -3.40971517
0.00013720 0.00011031 -0.00028827
0.00483167 0.00758223 -0.03410578
16.95207880 1.97219634 24.76061434
-0.00021927 -0.00025148 0.00013717
-0.00952607 -0.01295054 0.00004224
19.67745703 2.45435884 24.33822522
0.00057551 -0.00023496 0.00019268
0.01449832 -0.00186932 0.01013186
-9.84323268 3.97875813 2.28988296
-0.00017484 -0.00025375 0.00008249
-0.00202523 0.00200812 0.01090570
-7.19217406 4.16989035 0.93668483
0.00006713 -0.00074542 -0.00017603
0.00142107 0.01936974 -0.00268164
-6.25053029 14.13752183 -9.01367931
0.00058816 0.00008618 0.00074930
0.01499637 0.00440420 0.01758347
-9.01409085 13.57924155 -9.48552519
0.00119520 0.00004879 -0.00037005
-0.01721028 -0.00666180 0.01069920
0.52863309 10.68883991 -7.78706219
0.00004634 -0.00065881 -0.00046200
0.00141641 0.00461094 -0.00498543
2.97858906 12.09617549 -7.85327181
0.00074765 -0.00048011 -0.00108477
0.01995802 0.01555279 0.02318582
-10.09182165 9.14258435 -13.64716974
-0.00055819 0.00057071 0.00014700
-0.00962345 0.00903484 -0.00931774
-12.56546814 9.70364307 -12.47706370
0.00083849 -0.00032794 -0.00138293
-0.01543869 -0.00270568 0.01326583
7.09203156 6.34533064 14.46681384
-0.00137687 -0.00005172 0.00005254
-0.00538464 0.01805067 0.00185455
7.40720499 4.07412872 12.96707359
0.00017789 -0.00190838 0.00021777
-0.00564641 -0.00043059 0.01765640
-13.82163837 10.43128986 -8.45492982
-0.00095940 -0.00012975 0.00039554
0.00382501 0.02050881 0.00875360
-16.33606082 9.73772075 -9.84912345
-0.00000984 -0.00084357 0.00089867
-0.01696074 0.00365820 -0.00421391
8.10115432 9.85891098 -2.50558863
-0.00043299 0.00048434 0.00049228
-0.00431417 0.01988592 0.00908048
7.81041273 8.32051617 -4.92564727
0.00042145 -0.00091676 -0.00067866
0.01215516 -0.00454249 0.05173363
12.08927978 -19.94136572 -26.22797251
0.00074625 0.00024884 0.00027406
0.00374824 -0.00197950 -0.00569803
13.88895304 -20.47820012 -24.10991302
0.00053204 -0.00076633 -0.00060008
0.00123262 0.00381939 0.00489369
6.02326556 4.86323946 2.06335780
0.00031863 0.00097239 0.00052150
-0.00407584 0.02005841 0.02315932
6.60427857 7.31711702 0.81084916
0.00061143 0.00096294 -0.00024835
-0.00437917 0.00928492 0.01138877
20.29687426 -6.38072896 -5.75317503
-0.00091081 0.00017797 -0.00000198
0.01859230 -0.01076716 0.01943431
17.57867631 -5.10410053 -5.54536052
-0.00064149 0.00060586 -0.00019687
0.01906102 -0.01205074 -0.02081323
-2.21934598 0.46775002 -0.98330984
-0.00018782 0.00047121 0.00082652
-0.01463845 -0.00022953 -0.00750282
-2.11767437 1.01469072 -3.97985522
0.00143727 0.00050885 0.00032579
0.00113644 0.01379642 -0.00815209
3.66171087 -3.03024886 -12.23637102
0.00122926 -0.00016903 -0.00020465
0.01678432 -0.01314289 -0.00018152
0.76080191 -2.86162158 -11.50443833
0.00082786 0.00049344 0.00008940
0.01965245 0.02233878 -0.00529654
19.12861504 8.40566273 -6.62822803
0.00043182 0.00033122 0.00012216
-0.00932448 -0.00839686 -0.01528377
21.61156538 8.42521154 -5.05275228
-0.00081845 -0.00031015 -0.00049151
-0.03250425 0.02439300 -0.00053965
-7.10677460 4.57627529 9.25050121
0.00056003 -0.00022946 0.00091410
-0.00379666 0.00012669 0.00186935
-8.09492280 6.35330888 11.41473764
-0.00079766 0.00021719 -0.00061241
0.01017173 0.00055154 -0.04039381
-2.98036906 -16.26338905 10.79338713
0.00133236 0.00008530 -0.00087940
0.01089122 0.01305763 0.00946677
-4.17076703 -13.76875448 11.32743069
0.00044314 0.00017022 -0.00070970
-0.00446725 0.00235376 -0.00102321
8.66645345 0.58441135 -3.19782353
0.00000592 -0.00007549 -0.00081268
-0.00012612 0.00284067 0.00575863
7.83258380 1.76142793 -5.93734683
-0.00010788 0.00019742 -0.00015148
0.00473437 -0.02277704 0.03256537
0.60895083 -10.96739551 1.85615336
-0.00125318 -0.00044417 0.00029209
-0.00157572 0.01189247 -0.01694741
0.01691199 -8.55853041 0.06521419
0.00001505 -0.00031777 -0.00091209
0.00498207 0.00972261 0.00104529
-20.27030553 -1.49819925 6.58814157
-0.00008778 0.00011059 0.00024027
0.00064842 0.00507538 0.02125202
-21.43009200 0.34522035 4.48006596
-0.00067284 0.00075440 0.00004700
0.02169166 -0.02274234 0.00917833
-3.68592726 8.48018903 -25.06858781
0.00132111 0.00165507 0.00021769
0.01420147 0.01627207 -0.01425009
-4.48766416 8.80399832 -22.20902289
0.00056371 0.00022087 -0.00002920
0.00383896 -0.00786718 -0.01804097
4.34782272 1.55303252 -0.95804921
-0.00005843 0.00046674 -0.00058050
0.00673396 -0.02246845 -0.00798610
1.23529827 1.00408758 -1.52698391
0.00037676 -0.00039365 -0.00000460
0.02633480 0.00089676 -0.00614977
15.59922057 7.71774178 6.38431199
-0.00040898 -0.00028835 -0.00042928
0.00041507 -0.01111246 -0.03211147
15.89225534 8.93086478 3.75639707
-0.00053365 -0.00142409 -0.00021090
-0.00249689 0.00645911 -0.00517304
-0.24147690 -11.82257012 -13.13240136
0.00023796 -0.00000443 0.00021736
0.01136612 0.00096891 -0.00055598
-13.95047962 14.40766585 22.28291304
-0.00001468 -0.00013542 0.00016897
-0.00019512 -0.00111226 0.00261931
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03231654
0.32727212
436.07369602
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1370470525
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3751710169 (a.u.)
total exchange computation time: 2.7043919563 s
-154.3323111582
-931.35765773
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1370470525
ExchangeOperator: bisection time: 1.430 s
total exchange = -52.3750130888 (a.u.)
total exchange computation time: 2.7073020935 s
-154.3342881698
Anderson extrapolation: theta=1.3569243598 (1.3569243598)
-931.35788577
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1370470525
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3747489602 (a.u.)
total exchange computation time: 2.7044310570 s
-154.3373892146
Anderson extrapolation: theta=0.0536996839 (0.0536996839)
-931.35802279
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1370470525
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3746940179 (a.u.)
total exchange computation time: 2.7086050510 s
-154.3379564132
Anderson extrapolation: theta=2.1055740860 (2.0000000000)
-931.35802856
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1370470525
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3745755964 (a.u.)
total exchange computation time: 2.7062318325 s
-154.3391778441
Anderson extrapolation: theta=0.3103753867 (0.3103753867)
-931.35803559
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1370470525
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3745447679 (a.u.)
total exchange computation time: 2.7061700821 s
-154.3395184850
Anderson extrapolation: theta=1.6211474487 (1.6211474487)
-931.35803736
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1370470525
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3745184088 (a.u.)
total exchange computation time: 2.7066240311 s
-154.3398737169
Anderson extrapolation: theta=0.3843086275 (0.3843086275)
-931.35803926
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1370470525
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3745317095 (a.u.)
total exchange computation time: 2.7069089413 s
-154.3398131823
Anderson extrapolation: theta=1.0269282199 (1.0269282199)
-931.35803978
-164.241922 4.681156 -248.288991
-132.154601 460.628897 -802.206103
-296.396524 465.310052 -1050.495093
1186.551425
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0567587209
ExchangeOperator: pair fraction: ispin=0: 0.1370470525
ExchangeOperator: bisection time: 1.430 s
total exchange = -52.3745623609 (a.u.)
total exchange computation time: 2.7084920406 s
678.95661541
-1083.94303045
89.79290862
-388.95604260
-174.83392868
78.42365875
551.60419304
0.00000000
-931.35804006
-10.86612050 -4.34241911 6.65803658
0.00009561 -0.00017841 -0.00011200
0.01404129 -0.00859950 0.02092943
-13.86783227 3.75258181 9.21070063
0.00020026 0.00032529 -0.00019335
-0.00617154 0.01424612 0.00908407
-15.95492519 1.52521282 3.39202990
-0.00010589 0.00032976 -0.00012158
-0.01593312 0.01321694 0.03504908
2.69312755 -19.81719996 12.83934007
0.00019845 0.00018953 0.00016943
-0.02681759 -0.02647939 -0.02749193
9.58868213 20.36481732 1.32827859
0.00014350 -0.00003382 0.00018587
-0.00502256 0.01036959 -0.00035293
-12.12617186 12.56235610 15.22177016
0.00003798 0.00005719 0.00019716
0.01838996 -0.00624647 0.02060111
-6.15229827 1.37740879 -12.54142397
0.00017436 -0.00001829 -0.00042631
0.00799435 0.00271905 -0.00827882
-7.47579094 7.69525550 -6.12626040
-0.00014367 -0.00027880 -0.00026508
0.00718751 -0.01866407 -0.00316218
-7.79080537 -4.38183239 17.82218861
-0.00008359 -0.00016270 0.00012746
0.00430562 -0.02519739 -0.01284718
-23.64828727 -5.29224785 -22.76915282
-0.00020875 -0.00044393 -0.00019515
0.00029005 0.00561876 0.01004659
6.61849301 12.75786700 5.98087710
0.00021280 -0.00005621 -0.00017975
0.03533074 -0.01803704 0.02575252
24.82002782 30.59955403 -3.04537334
0.00007629 0.00018324 -0.00008335
0.00039165 -0.03636566 0.00727443
7.94042827 -0.91935724 -14.49637586
0.00008774 0.00019231 0.00004261
-0.00814262 -0.00444514 -0.00038709
-7.48413678 -0.86088431 14.17055640
-0.00048454 0.00009592 -0.00024610
0.01353297 0.03784516 0.02103022
-1.68259788 -26.17335934 11.18374856
0.00012852 0.00006134 -0.00029634
0.02341406 0.00144853 -0.01159569
-13.99127065 -4.41928748 -6.97104480
0.00006874 0.00003285 0.00003331
-0.00843509 -0.00989040 -0.01059657
-19.93484981 -12.65259062 -17.62167716
0.00023694 0.00023065 0.00026220
-0.01748704 -0.01105276 -0.00733791
22.82437609 3.53305172 3.05453529
0.00014149 0.00016072 0.00021833
-0.00002277 0.01067442 0.00251489
17.58303778 -10.46011577 -14.39205259
-0.00029164 -0.00037664 0.00011313
0.01814108 -0.01210972 0.02089800
-1.91699906 1.71996949 -7.04505907
0.00014718 -0.00014456 -0.00009161
0.02481884 0.01486464 -0.01179978
-4.40082401 -2.98144249 -15.66957580
-0.00024584 0.00011928 -0.00010697
0.01799443 0.03089661 0.00693115
13.41091467 17.36938305 -19.84323548
-0.00000035 0.00023450 0.00020305
0.00558782 -0.00601043 -0.00885960
-15.85409351 16.18086155 -12.02602844
0.00048562 0.00010380 0.00008947
0.02197939 -0.00971442 -0.05298872
2.14837303 14.72027158 7.59262224
0.00017734 0.00035542 0.00003976
-0.06043977 0.02756234 -0.00385731
-5.38032608 -9.74949399 2.32725523
-0.00002102 -0.00025816 0.00023612
0.02454581 -0.07516067 0.03131981
3.03181764 -6.54007714 2.75089424
-0.00005567 0.00021984 0.00018953
0.01445662 -0.04922250 -0.02724710
10.80114077 5.08860715 4.41097062
-0.00030581 0.00043763 -0.00003622
0.00016578 0.01717497 0.00660040
-8.54052920 -9.51127025 -3.06192983
-0.00012163 0.00023950 -0.00029249
-0.02952640 0.02302587 0.00025211
3.21593554 -15.92131880 -13.09953970
0.00011150 0.00006749 0.00017593
0.00829745 -0.00953970 0.00440568
4.73679395 -8.24463059 -5.27634489
-0.00022881 0.00021510 0.00046549
-0.02936744 -0.03742679 0.02967798
18.52182073 1.04898032 24.57197318
-0.00013186 0.00027087 -0.00023136
-0.00573316 0.00626464 -0.00238895
-8.62691425 3.11987762 1.19959396
-0.00008386 -0.00000801 -0.00004822
0.01319377 -0.03086430 -0.02209284
-7.51893148 14.19040255 -10.26364491
0.00020888 -0.00016119 0.00027757
0.01682072 0.00434761 -0.02965409
1.70676339 11.50079552 -8.94206037
0.00001999 0.00020097 0.00026842
-0.02675612 -0.01684839 -0.02227460
-11.59574366 10.21378218 -13.90423207
0.00022744 0.00011368 0.00008672
0.02548096 -0.00452079 -0.00964438
6.78772723 4.56529742 14.69488791
-0.00014559 0.00037203 -0.00024602
0.01813266 -0.04168730 -0.02854947
-14.93263691 9.07233916 -8.95566228
-0.00020421 -0.00017712 0.00009460
0.01526772 -0.01936916 -0.00382914
8.46966035 8.20652764 -3.09678555
-0.00001925 -0.00002272 -0.00007993
-0.00784756 -0.00604940 -0.05197516
13.81236141 -20.47225575 -25.95162034
-0.00002481 0.00000599 -0.00007339
0.00042903 0.00267725 0.00210999
6.12199042 6.72612033 2.50520003
-0.00018573 -0.00002869 -0.00037369
0.01243003 -0.02294018 -0.03933647
18.91792802 -5.83591409 -6.72966108
-0.00026249 -0.00014411 -0.00013601
-0.04511927 0.02187937 0.00273921
-1.68901729 -0.15426321 -2.63083343
0.00005191 -0.00038523 0.00016036
0.01103919 -0.01292651 0.03908202
2.37382463 -1.79355296 -12.02684035
-0.00009207 0.00002770 0.00018647
-0.01733997 -0.01331933 0.00119794
19.94346921 9.39777914 -5.38219076
-0.00054288 0.00001675 -0.00025683
0.05811346 -0.01152285 0.01439282
-7.66362699 6.34356773 9.54179182
-0.00029979 -0.00016649 0.00028318
-0.00810936 -0.00371146 0.04017162
-2.54162551 -14.56770496 11.42570365
-0.00012168 -0.00006850 -0.00005328
-0.00709188 -0.02056073 -0.00305254
8.11732127 0.16400839 -4.86148506
0.00000952 -0.00027983 0.00022656
-0.01349071 0.02691336 -0.04082560
-0.17602528 -10.35547090 0.25644914
-0.00016778 -0.00043230 -0.00012674
-0.00533458 -0.02955366 0.01743347
-20.27672905 -1.13993170 4.81245588
-0.00013335 0.00016604 0.00001511
-0.01805260 0.02156713 -0.03029617
-4.56095393 7.70493208 -23.68634491
-0.00017021 -0.00015426 0.00004416
-0.01851060 -0.00679126 0.03620749
2.66975114 2.13807049 -1.01912681
0.00033903 -0.00021649 0.00025724
-0.02890949 0.02341445 -0.00223912
15.48383789 7.33211767 4.50697764
-0.00001586 0.00006121 -0.00015319
-0.00217621 -0.00246564 0.04119299
-9.92605559 -4.52800233 8.26066131
-0.00046107 0.00028659 0.00106439
-0.00919442 0.00245815 -0.02236423
-9.68691779 -4.61287197 5.21999569
0.00086425 -0.00166758 0.00131737
-0.00588732 0.00160727 0.01094913
-12.60518687 4.54022419 8.18779730
0.00022421 -0.00094286 -0.00051866
0.00827653 0.00877013 -0.00403872
-13.84920146 2.04922845 8.57517074
0.00014841 0.00052198 0.00034104
-0.00079834 -0.02189684 0.00330721
-15.48234047 2.30858394 5.09652050
-0.00011255 0.00006873 -0.00000795
-0.01137332 -0.02419818 -0.03806899
-17.61816707 0.58482125 3.76053283
0.00004612 0.00074274 -0.00023667
0.02644054 0.01127337 0.00216246
3.05561307 -21.54530703 12.06756407
-0.00019706 -0.00095738 0.00053016
-0.00476979 0.02384952 0.00763530
3.96503907 -19.17951728 13.91399162
0.00027978 0.00047231 -0.00157939
0.02275612 0.00444216 0.01801626
8.70802497 18.77188300 1.08729263
-0.00092377 0.00065182 0.00007099
-0.00354459 0.00357769 0.00021836
8.49386366 21.57581780 2.26229741
-0.00105305 -0.00061169 0.00093809
0.00389667 -0.01119297 -0.00713377
-11.38843067 11.92384154 16.82294502
-0.00041074 0.00101148 -0.00005136
-0.00024190 0.00488825 -0.01943195
-12.61578293 14.23368488 15.76835826
-0.00024593 -0.00019565 -0.00054123
-0.00742989 0.01024419 -0.00716209
-5.07861528 0.15824487 -13.42640086
0.00016280 -0.00017570 -0.00054810
-0.01443942 0.00809584 0.01273144
-6.62020145 0.66859498 -10.88981948
-0.00027650 -0.00030639 0.00117726
0.00146577 -0.00622440 -0.00052726
-6.99676780 6.24887099 -5.07962674
-0.00041923 0.00037517 -0.00059455
0.00158223 0.00687910 -0.00694140
-9.04325773 8.13745578 -5.36536777
0.00027921 0.00030900 0.00002875
-0.01297373 0.00698272 0.00387275
-7.83072482 -3.09058343 19.04207098
0.00076765 -0.00064488 -0.00037885
-0.00300490 0.01673229 0.01714742
-8.43226482 -5.91794666 18.60582575
-0.00056672 0.00113254 0.00021210
0.00542647 0.00395115 -0.00141322
-23.73744094 -3.61358170 -23.49598783
-0.00073281 0.00038977 -0.00016785
-0.00273018 0.00122952 -0.01098143
-23.01302917 -4.89839701 -21.10112553
-0.00009130 0.00061254 -0.00076247
0.00053040 -0.00399424 -0.00045486
7.17892572 13.28270993 4.34822041
0.00022375 0.00043987 -0.00030138
0.00317261 0.00597382 -0.01741796
8.21805109 11.92661635 6.66874024
-0.00051936 -0.00005259 0.00075504
-0.02937417 0.01228714 -0.01175539
24.96062572 28.84794092 -2.35013766
0.00007938 0.00017330 -0.00047903
-0.00260105 0.02760096 -0.01340560
24.09953664 31.58190756 -1.68650916
-0.00001967 -0.00007218 -0.00075178
-0.00589124 0.00673376 0.00210586
9.04363181 -1.74684960 -15.70766027
-0.00053379 0.00144940 -0.00054230
0.00769718 -0.00236764 0.00481265
7.65057326 -2.26466991 -13.30208856
-0.00121050 -0.00125531 -0.00045141
-0.00059537 0.00166697 0.00183814
-7.53488049 0.13109638 15.83608385
0.00121436 0.00087770 -0.00096985
0.00029956 -0.02015308 -0.03416027
-8.73952374 -2.11429195 14.40620976
0.00089851 -0.00020219 -0.00048122
-0.01018920 -0.01437571 0.00238586
-2.18646941 -26.79208441 12.83936989
0.00033413 -0.00026914 -0.00022855
-0.01864638 -0.00458890 0.00638039
-2.96626133 -25.95256364 9.92905653
0.00060474 -0.00027796 0.00010674
-0.01232634 -0.00088062 -0.00005340
-14.68033804 -2.81242252 -6.36628944
0.00066808 0.00010281 -0.00045882
0.01011077 -0.00217955 -0.00021107
-14.45249481 -4.65642345 -8.74092127
0.00043493 0.00032671 -0.00022919
0.00032241 0.00386282 0.00454031
-19.54727899 -11.04276860 -16.93758548
-0.00106134 -0.00081328 -0.00028502
0.01409011 0.01600945 0.00866790
-18.31625982 -13.43540611 -17.99580165
-0.00011237 -0.00084477 -0.00005657
0.00043827 0.00094975 -0.00483623
24.11251167 3.62869968 1.71025074
-0.00015923 -0.00072927 -0.00090321
-0.01096466 -0.00734897 -0.00027501
22.83843726 5.11184877 3.94724114
-0.00072243 -0.00004931 0.00095223
0.00048373 0.00349916 0.00472668
16.38426217 -9.85379340 -13.15728237
0.00096986 0.00055014 -0.00114295
-0.00764460 0.00889587 0.00227680
17.00809187 -10.07889805 -16.03728391
-0.00030857 0.00052337 0.00029362
-0.01031397 0.01036657 -0.02086009
-0.15532274 1.80294219 -7.81381924
0.00029150 -0.00079779 0.00061227
-0.02069572 0.00590983 0.00866631
-2.27684814 -0.03522956 -7.02437301
-0.00006631 -0.00013710 -0.00066259
-0.00843398 -0.01738169 -0.01048275
-5.13808246 -4.23639626 -16.68246760
0.00090443 -0.00057766 0.00017770
-0.01418426 -0.01793222 -0.01519360
-4.16923406 -1.53432759 -16.81943846
-0.00104043 -0.00034576 -0.00061324
0.00099986 -0.01215019 0.00349935
12.46338383 18.92000411 -20.29237172
0.00050802 0.00006762 0.00070916
0.00054909 -0.00428460 0.00129980
12.18570256 16.04360990 -20.22346816
0.00075039 -0.00103077 -0.00027936
0.00208003 0.00490925 -0.00146411
-15.30173476 15.69154007 -13.88061088
0.00029027 0.00017856 0.00035091
-0.00735864 0.01188848 0.05006804
-17.28565927 15.05493208 -12.03005969
0.00095518 0.00066814 0.00046355
-0.01026606 0.00165926 0.00517993
2.33164729 15.01994759 5.77225285
0.00059085 -0.00054453 -0.00045306
0.01929053 -0.00808895 -0.00229537
0.63783071 15.89790530 7.77981235
0.00010911 -0.00030887 0.00026878
0.02872450 -0.02729403 0.01302199
-5.68466936 -8.20115585 1.65421009
0.00076890 0.00013506 0.00094871
-0.00951884 0.06357248 -0.02867896
-3.64813352 -10.25352503 1.84062815
-0.00021646 -0.00015104 -0.00014712
-0.00732758 0.01507573 -0.00366931
3.20705621 -4.83594871 2.94310022
0.00104905 -0.00167471 0.00019161
-0.00468404 0.07032302 0.01437065
4.58351504 -6.83250063 1.71554286
0.00006087 -0.00106548 0.00089305
-0.01062893 -0.01308152 0.00742656
9.42312661 5.89499237 3.50346862
0.00096342 0.00021128 -0.00028252
-0.00561373 0.00467958 0.00692702
12.06531156 6.43420539 4.70754091
0.00014021 0.00019070 -0.00005254
-0.00448287 -0.00973770 -0.00248398
-7.40667634 -10.76023062 -2.61486549
0.00031497 0.00015677 -0.00054644
0.04531595 -0.03824446 -0.00380379
-9.43859480 -9.50776216 -1.49288870
0.00044152 -0.00031047 -0.00072065
-0.01978763 0.01095326 0.00760732
4.38731554 -15.89277441 -14.59616102
-0.00020044 0.00095711 -0.00020399
-0.01633422 -0.01499693 0.04581981
3.52166603 -17.27293363 -11.69479332
-0.00092816 -0.00021092 -0.00067052
-0.00237254 0.02666880 -0.04866911
5.60859150 -6.92568841 -6.06676779
0.00022307 0.00035799 0.00042646
0.02315375 0.03202876 -0.00019216
4.95573863 -8.23613247 -3.41508428
0.00015769 0.00014097 -0.00041750
0.00520105 0.00742777 -0.02915374
16.94849791 1.96802730 24.76267321
-0.00025852 -0.00030182 0.00013703
-0.00968947 -0.01169313 -0.00011266
19.68653395 2.45077717 24.34142593
0.00063280 -0.00024163 0.00023464
0.01354636 -0.00139803 0.01040607
-9.84591733 3.97501348 2.29145455
-0.00018149 -0.00024527 0.00012641
-0.00123020 0.00214158 0.01059044
-7.19112359 4.15930262 0.93396224
0.00007599 -0.00066302 -0.00018714
0.00291877 0.02096368 -0.00275827
-6.24124839 14.13894952 -9.00190093
0.00064122 0.00010452 0.00081291
0.01097602 0.00457318 0.01355071
-8.99669021 13.57976932 -9.49074805
0.00110777 0.00001443 -0.00031754
-0.02558779 -0.01015900 0.01500564
0.52937156 10.67909909 -7.79414504
0.00005360 -0.00063901 -0.00047996
0.00213630 0.00508168 -0.00380325
2.99041542 12.08945047 -7.86883289
0.00083335 -0.00041518 -0.00098367
0.02199228 0.01622996 0.02630541
-10.10048934 9.15142187 -13.64525026
-0.00058607 0.00060123 0.00010906
-0.00402329 0.00590208 -0.00925505
-12.55336391 9.69864111 -12.49740118
0.00076093 -0.00034494 -0.00130991
-0.02252671 -0.00561835 0.02247711
7.07121348 6.34510794 14.46765876
-0.00139586 0.00002907 0.00005558
-0.00390856 0.02149808 -0.00036755
7.40970029 4.04548982 12.97088125
0.00015432 -0.00190307 0.00029324
-0.00588917 0.00302930 0.01928222
-13.83591217 10.42997212 -8.44872850
-0.00094055 -0.00004306 0.00043236
0.00540290 0.02192370 0.00927253
-16.33672815 9.72517937 -9.83577248
-0.00008982 -0.00082369 0.00087432
-0.02218923 0.00607223 -0.00770751
8.09452731 9.86678551 -2.49792623
-0.00044848 0.00055321 0.00052253
-0.00326805 0.01382255 0.00572956
7.81710693 8.30662562 -4.93424187
0.00047153 -0.00093267 -0.00046347
0.01236181 -0.00324796 0.05360258
12.10058841 -19.93769377 -26.22403618
0.00075080 0.00024411 0.00024938
-0.00152145 -0.00033544 -0.00638612
13.89697136 -20.48957806 -24.11876423
0.00053713 -0.00075067 -0.00057393
0.00126108 0.00384952 0.00790801
6.02792017 4.87843991 2.07188994
0.00030115 0.00104224 0.00061075
-0.00448473 0.01413530 0.02053059
6.61331587 7.33184562 0.80747288
0.00059132 0.00099667 -0.00019681
-0.00546523 0.00722860 0.01384246
20.28378179 -6.37838933 -5.75260921
-0.00082752 0.00013112 0.00008271
0.02217848 -0.01216845 0.02202429
17.56963806 -5.09538196 -5.54895136
-0.00056070 0.00055403 -0.00028445
0.02048584 -0.01332010 -0.02205875
-2.22261192 0.47481110 -0.97114196
-0.00024345 0.00046536 0.00078420
-0.01259201 -0.00263457 -0.01321165
-2.09608053 1.02274620 -3.97521818
0.00144179 0.00056313 0.00029276
0.00107713 0.01277301 -0.00801439
3.68066404 -3.03318712 -12.23944636
0.00128255 -0.00021000 -0.00020285
0.00930531 -0.00691085 0.00106377
0.77382209 -2.85353542 -11.50325956
0.00090344 0.00058013 0.00006881
0.01734006 0.02009405 -0.00478250
19.13480654 8.41037377 -6.62686400
0.00038456 0.00028894 0.00004901
-0.01380712 -0.01229911 -0.02052177
21.59829254 8.42130679 -5.06014149
-0.00094889 -0.00020999 -0.00049243
-0.03134600 0.02463657 0.00008893
-7.09849044 4.57283724 9.26426994
0.00054369 -0.00022685 0.00092141
-0.00420180 0.00115040 0.00171244
-8.10657600 6.35658367 11.40431376
-0.00075763 0.00021951 -0.00076837
0.00942468 0.00058232 -0.03595166
-2.96004985 -16.26170940 10.78048628
0.00137406 0.00013692 -0.00084104
0.00952034 0.01220906 0.00930682
-4.16425677 -13.76612910 11.31675379
0.00041921 0.00018039 -0.00071456
-0.00724902 0.00262419 -0.00135488
8.66653845 0.58336611 -3.20983726
0.00001059 -0.00006045 -0.00077409
0.00241012 0.00451742 0.01313302
7.83111073 1.76369134 -5.93862107
-0.00008787 0.00009943 -0.00001528
0.00505692 -0.02519381 0.03410307
0.59010484 -10.97369367 1.86001531
-0.00125788 -0.00039514 0.00022336
-0.00072579 0.01211008 -0.01669604
0.01729034 -8.56299910 0.05156493
0.00003492 -0.00028158 -0.00090629
0.00474675 0.00799695 0.00179219
-20.27160241 -1.49638483 6.59239682
-0.00008551 0.00013229 0.00032221
0.00046207 0.00554490 0.01885898
-21.43951986 0.35583946 4.48105222
-0.00057908 0.00065563 0.00008584
0.02420397 -0.02560540 0.00983163
-3.66567538 8.50551377 -25.06575915
0.00136762 0.00170972 0.00017312
0.00856472 0.01047813 -0.00756758
-4.47909094 8.80707033 -22.21001367
0.00057773 0.00018608 -0.00010233
0.00302762 -0.00916466 -0.01776016
4.34715262 1.55934511 -0.96700143
-0.00001980 0.00037150 -0.00061301
0.01217473 -0.02415274 -0.00792919
1.24175658 0.99821025 -1.52724137
0.00048501 -0.00038910 -0.00002919
0.02665470 0.00133087 -0.00588905
15.59309852 7.71307604 6.37688887
-0.00040668 -0.00033210 -0.00055635
0.00071117 -0.01030593 -0.03009371
15.88417414 8.90970129 3.75307506
-0.00053836 -0.00137717 -0.00024115
0.00018914 0.01650835 -0.00963481
-0.23787701 -11.82263397 -13.12914250
0.00024204 -0.00000407 0.00021716
0.01146063 0.00105656 -0.00056319
-13.95070014 14.40563263 22.28545219
-0.00001474 -0.00013570 0.00016958
-0.00032467 -0.00127897 0.00264275
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03232299
0.32571707
434.00166966
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1360086533
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3941225877 (a.u.)
total exchange computation time: 2.6682620049 s
-154.3967706115
-931.35506520
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1360086533
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3936633247 (a.u.)
total exchange computation time: 2.6680810452 s
-154.4010233677
Anderson extrapolation: theta=1.3517158510 (1.3517158510)
-931.35530232
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1360086533
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.3929684578 (a.u.)
total exchange computation time: 2.6691999435 s
-154.4073014770
Anderson extrapolation: theta=0.0533847798 (0.0533847798)
-931.35544344
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1360086533
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3928723675 (a.u.)
total exchange computation time: 2.6674289703 s
-154.4081209360
Anderson extrapolation: theta=2.0063382817 (2.0000000000)
-931.35544880
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1360086533
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.3926654333 (a.u.)
total exchange computation time: 2.6688818932 s
-154.4098688387
Anderson extrapolation: theta=0.2344246281 (0.2344246281)
-931.35545445
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1360086533
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.3926171216 (a.u.)
total exchange computation time: 2.6678869724 s
-154.4102680652
Anderson extrapolation: theta=1.8300303570 (1.8300303570)
-931.35545551
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1360086533
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3925503442 (a.u.)
total exchange computation time: 2.6666009426 s
-154.4108126170
Anderson extrapolation: theta=0.2803005897 (0.2803005897)
-931.35545661
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1360086533
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3925527777 (a.u.)
total exchange computation time: 2.6676797867 s
-154.4107852504
Anderson extrapolation: theta=1.2487808581 (1.2487808581)
-931.35545683
-164.247922 4.647332 -248.337592
-132.104644 460.635487 -802.272522
-296.352565 465.282818 -1050.610114
1186.631601
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1360086533
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.3925708348 (a.u.)
total exchange computation time: 2.6457631588 s
679.24716780
-1084.55021383
89.76318294
-388.54175266
-174.88127034
78.75545805
551.60419304
0.00000000
-931.35545693
-10.86463217 -4.34512842 6.65643737
0.00010306 -0.00018289 -0.00009973
0.01493045 -0.00883687 0.02678687
-13.86485225 3.75751611 9.20783549
0.00019669 0.00033271 -0.00018823
-0.00768287 0.01460371 0.01079405
-15.95657495 1.53021028 3.39034142
-0.00011371 0.00033661 -0.00010365
-0.01450055 0.01338629 0.03467812
2.69600086 -19.81445911 12.84177547
0.00018340 0.00017423 0.00015388
-0.03171949 -0.03303529 -0.03298366
9.59081523 20.36434999 1.33106521
0.00013980 -0.00002777 0.00018640
-0.00936933 0.01316349 0.00242051
-12.12553121 12.56318981 15.22480697
0.00004699 0.00005387 0.00020654
0.01663918 -0.00666315 0.01590513
-6.14965207 1.37714491 -12.54785058
0.00017784 -0.00001786 -0.00042826
0.00554111 -0.00103712 0.00068999
-7.47791830 7.69100152 -6.13024884
-0.00014039 -0.00028732 -0.00026749
0.00559460 -0.01446173 -0.00620638
-7.79204262 -4.38437004 17.82405099
-0.00008084 -0.00017531 0.00011921
0.00637792 -0.02384559 -0.01925433
-23.65141738 -5.29888507 -22.77204130
-0.00020883 -0.00043959 -0.00019097
-0.00060945 0.01123105 0.00620511
6.62182130 12.75695422 5.97828012
0.00023051 -0.00006507 -0.00016699
0.03353187 -0.01639892 0.02387106
24.82117370 30.60216231 -3.04659547
0.00007691 0.00016421 -0.00008069
0.00201357 -0.03763904 0.00304857
7.94171293 -0.91648971 -14.49573824
0.00008260 0.00018920 0.00004426
-0.01185205 -0.00764348 0.00682569
-7.49135263 -0.85929959 14.16694595
-0.00047596 0.00011658 -0.00023623
0.01983698 0.04251100 0.01734990
-1.68057976 -26.17243367 11.17925874
0.00014136 0.00006180 -0.00030099
0.02652563 0.00034203 -0.00647806
-13.99027214 -4.41883283 -6.97058597
0.00006452 0.00002728 0.00002739
-0.00797123 -0.01179892 -0.01244828
-19.93136321 -12.64917349 -17.61777248
0.00022732 0.00022176 0.00025714
-0.01990335 -0.02350615 -0.01232160
22.82649841 3.53550370 3.05781995
0.00014165 0.00016614 0.00021930
0.00063255 0.01040594 0.00123516
17.57873313 -10.46581214 -14.39027505
-0.00028088 -0.00038364 0.00012178
0.02371015 -0.01507842 0.01272918
-1.91469556 1.71785836 -7.04647874
0.00015982 -0.00013725 -0.00009745
0.02430207 0.01359012 -0.01090695
-4.40444218 -2.97953416 -15.67115366
-0.00023668 0.00013506 -0.00010327
0.01763586 0.03048106 0.00748297
13.41093092 17.37287735 -19.84022388
0.00000277 0.00022988 0.00019852
0.00654991 -0.01196479 -0.00875021
-15.84672442 16.18238112 -12.02489073
0.00049785 0.00009984 0.00006256
0.02556237 -0.00568938 -0.05168336
2.15080006 14.72570925 7.59320377
0.00014691 0.00036912 0.00003730
-0.05790146 0.02569182 -0.00572136
-5.38054670 -9.75365627 2.33091785
-0.00000872 -0.00029633 0.00025194
0.02330292 -0.07329114 0.03020856
3.03103839 -6.53696945 2.75363215
-0.00004889 0.00018986 0.00017507
0.01189060 -0.06733806 -0.02900935
10.79655420 5.09523783 4.41045271
-0.00030428 0.00044581 -0.00003201
0.00580882 0.01462016 0.00979737
-8.54246757 -9.50758895 -3.06631618
-0.00013542 0.00025052 -0.00029318
-0.02409695 0.01985133 -0.00295938
3.21763999 -15.92034323 -13.09688377
0.00011539 0.00006327 0.00017757
0.00682774 -0.00686591 0.00196546
4.73324850 -8.24154847 -5.26924808
-0.00024348 0.00019677 0.00047878
-0.02765783 -0.03385993 0.02202134
18.51982076 1.05306755 24.56849356
-0.00013445 0.00027372 -0.00023263
-0.00434273 0.00479959 -0.00255251
-8.62812128 3.11963838 1.19878542
-0.00007764 -0.00002416 -0.00005938
0.01101739 -0.03191036 -0.02129626
-7.51573342 14.18800153 -10.25959570
0.00022063 -0.00015808 0.00026242
0.02886207 0.00773239 -0.02925849
1.70696000 11.50374502 -8.93811992
0.00000581 0.00019219 0.00025613
-0.02836779 -0.01727357 -0.02555134
-11.59223377 10.21546999 -13.90296849
0.00024073 0.00011302 0.00007951
0.02618911 0.00195205 -0.01837066
6.78561338 4.57071705 14.69108749
-0.00013645 0.00034893 -0.00026044
0.01740730 -0.04811804 -0.02752888
-14.93564120 9.06960764 -8.95425808
-0.00019542 -0.00018773 0.00009327
0.01891180 -0.02187875 -0.00131763
8.46934134 8.20616356 -3.09818505
-0.00002349 -0.00002450 -0.00010591
-0.00865572 -0.00089183 -0.04904201
13.81199090 -20.47215554 -25.95271307
-0.00002317 0.00000689 -0.00007292
0.00596689 0.00082682 -0.00026897
6.11925242 6.72560147 2.49944301
-0.00017909 -0.00003811 -0.00039372
0.01340131 -0.01367324 -0.03857649
18.91381660 -5.83799127 -6.73169068
-0.00028654 -0.00013241 -0.00013488
-0.04840765 0.02361600 0.00164310
-1.68819602 -0.16009150 -2.62827727
0.00005703 -0.00039095 0.00018146
0.00887592 -0.00932149 0.04296811
2.37237673 -1.79318882 -12.02403862
-0.00009822 0.00002001 0.00018662
-0.00656670 -0.01660383 -0.00064138
19.93555010 9.39798592 -5.38598775
-0.00051248 0.00001180 -0.00024838
0.06013060 -0.00773533 0.01850043
-7.66815518 6.34105606 9.54619449
-0.00030351 -0.00016872 0.00030234
-0.00634060 -0.00494919 0.03434762
-2.54347808 -14.56881175 11.42489272
-0.00012433 -0.00007879 -0.00005464
-0.00320406 -0.01945439 -0.00225501
8.11741206 0.15991481 -4.85824420
0.00000188 -0.00026591 0.00020351
-0.01623406 0.02721514 -0.04878000
-0.17856255 -10.36206944 0.25461529
-0.00017070 -0.00044689 -0.00011818
-0.00601808 -0.02718906 0.01586112
-20.27879897 -1.13735796 4.81256572
-0.00014308 0.00017753 0.00000020
-0.01978173 0.02312336 -0.02769212
-4.56357844 7.70259203 -23.68554279
-0.00017810 -0.00015602 0.00006081
-0.01216648 -0.00004919 0.02852123
2.67472506 2.13491339 -1.01527684
0.00032286 -0.00020417 0.00025614
-0.03395604 0.02449773 -0.00204132
15.48359153 7.33302638 4.50483863
-0.00001776 0.00005709 -0.00013150
-0.00521048 -0.01359324 0.04317039
-9.93325345 -4.52362811 8.27594183
-0.00050268 0.00029714 0.00096574
-0.01117061 0.00270685 -0.02592581
-9.67413439 -4.63783645 5.24009171
0.00084171 -0.00166035 0.00135778
-0.00514775 0.00193097 0.00883343
-12.60157015 4.52634997 8.17989367
0.00026221 -0.00090303 -0.00053790
0.01032704 0.01072884 -0.00538060
-13.84699974 2.05638714 8.58038774
0.00014386 0.00042761 0.00035373
-0.00142791 -0.02429671 0.00290104
-15.48437725 2.30887339 5.09523472
-0.00015854 -0.00002930 -0.00016260
-0.01114060 -0.02378647 -0.03763205
-17.61666510 0.59630782 3.75704902
0.00015082 0.00078676 -0.00022745
0.02481465 0.01027493 0.00235044
3.05251103 -21.55893696 12.07575041
-0.00021758 -0.00085266 0.00056295
-0.00527537 0.02741280 0.00841829
3.96993305 -19.17229652 13.89085280
0.00038333 0.00049585 -0.00149646
0.02793406 0.00708316 0.02258007
8.69405987 18.78176990 1.08836417
-0.00093602 0.00066408 0.00007078
-0.00245538 0.00242526 -0.00031909
8.47818738 21.56629949 2.27615014
-0.00103042 -0.00065964 0.00090419
0.00717734 -0.01228177 -0.00946084
-11.39459915 11.93916355 16.82157918
-0.00040760 0.00102691 -0.00012251
0.00177751 0.00266445 -0.01539810
-12.61969948 14.23106410 15.76002036
-0.00027761 -0.00014889 -0.00056931
-0.00808100 0.01264230 -0.00658224
-5.07661574 0.15585750 -13.43423219
0.00010294 -0.00014200 -0.00049463
-0.01486381 0.00839760 0.01344046
-6.62430402 0.66380834 -10.87217676
-0.00026499 -0.00032510 0.00115611
0.00416736 -0.00293237 -0.00982296
-7.00300782 6.25470926 -5.08875771
-0.00040938 0.00039436 -0.00061656
0.00324267 0.00251520 -0.00383188
-9.03946716 8.14230476 -5.36481781
0.00022534 0.00033821 0.00004473
-0.01339708 0.00731741 0.00394682
-7.81930215 -3.09974392 19.03691368
0.00075563 -0.00056639 -0.00030078
-0.00287870 0.02168809 0.02106782
-8.44059939 -5.90083754 18.60896395
-0.00054894 0.00113674 0.00021094
0.00327928 -0.00189311 0.00084393
-23.74851678 -3.60769750 -23.49884209
-0.00074371 0.00038401 -0.00020979
-0.00260449 -0.00404927 -0.00955000
-23.01438235 -4.88933130 -21.11257659
-0.00008731 0.00059549 -0.00075955
0.00141956 -0.00435128 0.00188733
7.18237917 13.28949109 4.34316598
0.00023694 0.00046176 -0.00036717
0.00328275 0.00473785 -0.01478942
8.20936062 11.92620406 6.67970567
-0.00063579 -0.00000291 0.00070531
-0.02761879 0.01203105 -0.01258763
24.96173675 28.85138622 -2.35773392
0.00006893 0.00028431 -0.00053222
-0.00251454 0.02674006 -0.01263114
24.09906107 31.58103126 -1.69772128
-0.00004714 -0.00004028 -0.00073594
-0.00755658 0.00887764 0.00564575
9.03586082 -1.72518118 -15.71564728
-0.00049818 0.00143523 -0.00052684
0.00973392 -0.00456951 0.00275286
7.63239749 -2.28344850 -13.30880340
-0.00120903 -0.00123789 -0.00045467
0.00131703 0.00685871 -0.00343370
-7.51665595 0.14364428 15.82048930
0.00121183 0.00079429 -0.00110572
-0.00153820 -0.02067477 -0.03234957
-8.72635825 -2.11776527 14.39906458
0.00084764 -0.00026903 -0.00046745
-0.01471265 -0.01834318 0.00435378
-2.18202886 -26.79626208 12.83613711
0.00025832 -0.00028717 -0.00020506
-0.01846516 -0.00423813 0.00511880
-2.95756791 -25.95676003 9.93065596
0.00054661 -0.00028029 0.00009951
-0.01612980 -0.00025973 -0.00348270
-14.67000707 -2.81094721 -6.37317817
0.00070758 0.00009787 -0.00045740
0.00922717 -0.00023812 0.00090453
-14.44596099 -4.65140441 -8.74422001
0.00043691 0.00034222 -0.00020886
0.00064888 0.00372628 0.00541411
-19.56276732 -11.05447715 -16.94159523
-0.00099653 -0.00072636 -0.00024071
0.01763409 0.02653404 0.01302555
-18.31793187 -13.44804861 -17.99679842
-0.00011276 -0.00083720 -0.00007532
-0.00063365 0.00275870 -0.00434055
24.10978722 3.61753549 1.69669413
-0.00020733 -0.00075695 -0.00089877
-0.01257868 -0.00620229 0.00244716
22.82761570 5.11121633 3.96166938
-0.00071829 -0.00003749 0.00096757
0.00154245 0.00228602 0.00278221
16.39857578 -9.84526865 -13.17435687
0.00092536 0.00059293 -0.00111761
-0.01413543 0.01204633 0.01012614
17.00314734 -10.07072984 -16.03351877
-0.00034861 0.00056447 0.00020882
-0.00928693 0.00975320 -0.02065405
-0.15158448 1.79115649 -7.80436970
0.00020882 -0.00077185 0.00064626
-0.01977637 0.00678419 0.00797246
-2.27810128 -0.03781872 -7.03463304
-0.00010142 -0.00020678 -0.00070454
-0.00875270 -0.01672789 -0.01005107
-5.12495070 -4.24561071 -16.68026770
0.00084627 -0.00065250 0.00011516
-0.01428190 -0.01870095 -0.01541762
-4.18480983 -1.53988629 -16.82852978
-0.00103553 -0.00039318 -0.00059974
0.00139611 -0.01106422 0.00310593
12.47102096 18.92088707 -20.28169444
0.00050536 0.00005314 0.00071295
-0.00185266 -0.00280433 0.00055534
12.19702214 16.02829885 -20.22770348
0.00076236 -0.00100260 -0.00028410
0.00378217 0.00887937 -0.00085662
-15.29760627 15.69458283 -13.87381300
0.00026154 0.00022614 0.00055184
-0.00670239 0.01139837 0.04829018
-17.27164618 15.06500499 -12.02294776
0.00090403 0.00066778 0.00048489
-0.01477327 -0.00183191 0.00526543
2.34110121 15.01153176 5.76538663
0.00066732 -0.00057677 -0.00045690
0.01814130 -0.00769280 0.00041388
0.64034755 15.89243593 7.78424303
0.00022382 -0.00041701 0.00032045
0.02742744 -0.02564504 0.01227192
-5.67342751 -8.19718195 1.66756196
0.00073040 0.00039321 0.00083331
-0.00932810 0.06279690 -0.02781345
-3.65160489 -10.25532872 1.83830892
-0.00024474 -0.00009091 -0.00016181
-0.00651552 0.01436172 -0.00352388
3.22264837 -4.85891443 2.94641473
0.00103455 -0.00135041 0.00025491
-0.00241195 0.08842276 0.01661663
4.58410238 -6.84888374 1.72916614
0.00001812 -0.00111912 0.00092190
-0.01029835 -0.01317229 0.00669722
9.43740593 5.89830499 3.49944308
0.00093023 0.00023611 -0.00026080
-0.01063462 0.00747624 0.00370340
12.06727740 6.43676746 4.70667672
0.00012122 0.00014982 -0.00006283
-0.00481681 -0.01027282 -0.00255511
-7.40056321 -10.75905100 -2.62317858
0.00049475 0.00000662 -0.00056446
0.04268838 -0.03525446 -0.00501828
-9.43257837 -9.51208363 -1.50346538
0.00035536 -0.00026567 -0.00068030
-0.02238880 0.01097730 0.01214310
4.38380842 -15.87887729 -14.59781680
-0.00026701 0.00089426 -0.00001593
-0.01625260 -0.01576991 0.04623620
3.50767090 -17.27528016 -11.70634251
-0.00093490 -0.00010580 -0.00086518
-0.00092791 0.02478845 -0.04661596
5.61264708 -6.91933707 -6.06037673
0.00031354 0.00048248 0.00042878
0.02113297 0.02890666 0.00132565
4.95826341 -8.23379032 -3.42224012
0.00017990 0.00017083 -0.00052422
0.00567130 0.00719060 -0.02308519
16.94432319 1.96314163 24.76472518
-0.00029833 -0.00034692 0.00013624
-0.00979636 -0.01038228 -0.00027192
19.69644107 2.44710981 24.34526438
0.00068587 -0.00024652 0.00027777
0.01243014 -0.00099533 0.01070664
-9.84867737 3.97140009 2.29367518
-0.00018455 -0.00023660 0.00016863
-0.00026873 0.00210164 0.01007715
-7.18989424 4.14999967 0.93107060
0.00009017 -0.00057483 -0.00019845
0.00402244 0.02220556 -0.00277516
-6.23129381 14.14065747 -8.98929207
0.00067720 0.00012350 0.00085946
0.00663929 0.00471512 0.00923788
-8.98085773 13.57967450 -9.49505127
0.00098744 -0.00003379 -0.00024807
-0.03331452 -0.01344420 0.01899629
0.53024096 10.66966972 -7.80146096
0.00006360 -0.00061753 -0.00049289
0.00276056 0.00543016 -0.00252724
3.00358959 12.08372013 -7.88278181
0.00092505 -0.00034868 -0.00087191
0.02289400 0.01632049 0.02839866
-10.10940360 9.16062110 -13.64389799
-0.00059007 0.00061822 0.00007168
0.00206205 0.00241485 -0.00904133
-12.54264026 9.69329482 -12.51636112
0.00065504 -0.00037390 -0.00120036
-0.02930845 -0.00855583 0.03115030
7.05015586 6.34620277 14.46848115
-0.00140914 0.00012267 0.00004965
-0.00259219 0.02431988 -0.00253457
7.41183466 4.01703659 12.97587065
0.00012999 -0.00188374 0.00037452
-0.00601978 0.00643182 0.02050883
-13.84985484 10.42999799 -8.44195889
-0.00091614 0.00004835 0.00047101
0.00654534 0.02282154 0.00964525
-16.33875537 9.71301013 -9.82289388
-0.00019008 -0.00079460 0.00083654
-0.02688774 0.00816804 -0.01078441
8.08770001 9.87550717 -2.48991268
-0.00045942 0.00059671 0.00053893
-0.00208927 0.00747078 0.00229686
7.82455873 8.29253602 -4.93955138
0.00052166 -0.00094332 -0.00024300
0.01217669 -0.00196268 0.05431761
12.11180380 -19.93404236 -26.22049123
0.00073366 0.00024628 0.00022197
-0.00686729 0.00139458 -0.00703036
13.90506697 -20.50072008 -24.12713079
0.00054229 -0.00073488 -0.00053585
0.00126262 0.00387901 0.01072930
6.03229992 4.89450667 2.08168032
0.00028204 0.00108594 0.00068870
-0.00486979 0.00725527 0.01762840
6.62201823 7.34701723 0.80494496
0.00056693 0.00102200 -0.00013601
-0.00647640 0.00516894 0.01591823
20.27204855 -6.37679545 -5.75069361
-0.00073191 0.00007948 0.00017639
0.02462590 -0.01310811 0.02382978
17.56185531 -5.08747974 -5.55389409
-0.00047512 0.00049760 -0.00037610
0.02140495 -0.01430309 -0.02280341
-2.22664958 0.48171071 -0.95978377
-0.00029108 0.00045003 0.00072007
-0.01072168 -0.00486644 -0.01818327
-2.07442068 1.03158448 -3.97107231
0.00144634 0.00061216 0.00026127
0.00115176 0.01122866 -0.00740129
3.70018751 -3.03654892 -12.24245651
0.00130536 -0.00022599 -0.00019592
0.00186002 -0.00091728 0.00232603
0.78790498 -2.84421777 -11.50237389
0.00096852 0.00065681 0.00005071
0.01451955 0.01744329 -0.00407928
19.14015186 8.41433105 -6.62675767
0.00032005 0.00023175 -0.00004429
-0.01777001 -0.01569784 -0.02515072
21.58309862 8.41891192 -5.06752525
-0.00107300 -0.00010985 -0.00049056
-0.02940779 0.02438088 0.00082576
-7.09046380 4.56946970 9.27814362
0.00052568 -0.00022002 0.00092805
-0.00461815 0.00219595 0.00153456
-8.11765159 6.35989415 11.39168654
-0.00072138 0.00022203 -0.00090385
0.00832005 0.00064987 -0.03036440
-2.93914718 -16.25928150 10.76815581
0.00141002 0.00018429 -0.00080372
0.00807897 0.01097868 0.00896129
-4.15819078 -13.76334290 11.30599386
0.00038442 0.00019145 -0.00072088
-0.00978227 0.00279208 -0.00174007
8.66677117 0.58259774 -3.22104612
0.00002551 -0.00003872 -0.00070604
0.00489229 0.00612086 0.02017534
7.82994758 1.76441071 -5.93780525
-0.00006686 -0.00000697 0.00012598
0.00523110 -0.02688584 0.03504698
0.57121436 -10.97924964 1.86285403
-0.00125880 -0.00034560 0.00015653
0.00027427 0.01214085 -0.01601547
0.01795960 -8.56697769 0.03802551
0.00005369 -0.00025322 -0.00089737
0.00444345 0.00588274 0.00257516
-20.27287098 -1.49423059 6.59780787
-0.00008398 0.00015607 0.00039312
0.00028743 0.00609619 0.01585105
-21.44746434 0.36488931 4.48264102
-0.00047631 0.00054667 0.00012688
0.02610236 -0.02773432 0.01026136
-3.64489860 8.53148068 -25.06339428
0.00139093 0.00174038 0.00015515
0.00284241 0.00452982 -0.00122627
-4.47033217 8.80958066 -22.21209290
0.00058847 0.00014675 -0.00017320
0.00222637 -0.01008653 -0.01692707
4.34722865 1.56417746 -0.97643961
0.00003952 0.00027016 -0.00064545
0.01686437 -0.02545270 -0.00794668
1.24984846 0.99241449 -1.52785974
0.00059371 -0.00038322 -0.00005285
0.02655795 0.00154750 -0.00569000
15.58702006 7.70777870 6.36762142
-0.00040308 -0.00037215 -0.00067346
0.00105367 -0.00929712 -0.02723251
15.87610453 8.88954954 3.74916256
-0.00053217 -0.00128922 -0.00028987
0.00284132 0.02654511 -0.01421323
-0.23421558 -11.82269216 -13.12588667
0.00024616 -0.00000367 0.00021695
0.01153844 0.00114455 -0.00058259
-13.95092180 14.40359497 22.28800055
-0.00001483 -0.00013601 0.00017020
-0.00044259 -0.00146189 0.00266588
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03217329
0.32328364
430.75924403
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1354461871
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.4118158444 (a.u.)
total exchange computation time: 2.6635839939 s
-154.4566006888
-931.35230679
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1354461871
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.4110777842 (a.u.)
total exchange computation time: 2.6598169804 s
-154.4629766274
Anderson extrapolation: theta=1.3545588960 (1.3545588960)
-931.35256322
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1354461871
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.4099909146 (a.u.)
total exchange computation time: 2.6595590115 s
-154.4721655909
Anderson extrapolation: theta=0.0558944310 (0.0558944310)
-931.35271703
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1354461871
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.4098623176 (a.u.)
total exchange computation time: 2.6616978645 s
-154.4731786323
Anderson extrapolation: theta=2.0634749352 (2.0000000000)
-931.35272341
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1354461871
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.4095886558 (a.u.)
total exchange computation time: 2.6599390507 s
-154.4753077997
Anderson extrapolation: theta=0.2682102262 (0.2682102262)
-931.35273059
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1354461871
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.4095166378 (a.u.)
total exchange computation time: 2.6596419811 s
-154.4758468717
Anderson extrapolation: theta=1.5911216168 (1.5911216168)
-931.35273209
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1354461871
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.4094260382 (a.u.)
total exchange computation time: 2.6603670120 s
-154.4764981888
Anderson extrapolation: theta=0.3122014324 (0.3122014324)
-931.35273360
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1354461871
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.4094218187 (a.u.)
total exchange computation time: 2.6592121124 s
-154.4764989883
Anderson extrapolation: theta=1.0912333570 (1.0912333570)
-931.35273398
-164.209484 49.020054 -248.380060
-132.055495 460.646706 -802.338233
-296.264978 509.666760 -1050.718293
1204.799600
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1354461871
ExchangeOperator: bisection time: 1.430 s
total exchange = -52.4094350557 (a.u.)
total exchange computation time: 2.6836090088 s
679.51953127
-1085.11953822
89.73487770
-388.15260675
-174.92556316
79.06687541
551.60419304
0.00000000
-931.35273421
-10.86302866 -4.34790590 6.65504481
0.00011084 -0.00018746 -0.00008463
0.01532629 -0.00890798 0.03190572
-13.86193150 3.76256306 9.20505362
0.00019245 0.00034023 -0.00018238
-0.00882166 0.01465839 0.01198355
-15.95833656 1.53531100 3.38892047
-0.00012076 0.00034349 -0.00008614
-0.01290864 0.01339607 0.03342212
2.69862945 -19.81197312 12.84395640
0.00016603 0.00015582 0.00013584
-0.03583271 -0.03856366 -0.03714126
9.59287605 20.36398422 1.33387050
0.00013391 -0.00002039 0.00018829
-0.01353125 0.01551800 0.00494797
-12.12476219 12.56397212 15.22796649
0.00005502 0.00005047 0.00021340
0.01457786 -0.00656515 0.01074140
-6.14696313 1.37687303 -12.55427187
0.00018005 -0.00001916 -0.00042578
0.00305653 -0.00402243 0.00897896
-7.48000250 7.68663597 -6.13428515
-0.00013796 -0.00029354 -0.00027149
0.00384230 -0.00972137 -0.00932604
-7.79323068 -4.38709165 17.82576483
-0.00007702 -0.00018696 0.00010782
0.00849301 -0.02146458 -0.02501721
-23.65455219 -5.30543564 -22.77488191
-0.00020938 -0.00043246 -0.00018872
-0.00154318 0.01652275 0.00254897
6.62540828 12.75591494 5.97586729
0.00024717 -0.00007296 -0.00015541
0.03127317 -0.01428966 0.02117703
24.82233510 30.60448022 -3.04779408
0.00007832 0.00014477 -0.00008021
0.00347385 -0.03793490 -0.00117779
7.94290615 -0.91368114 -14.49504796
0.00007557 0.00018448 0.00004950
-0.01548380 -0.01072677 0.01353514
-7.49841544 -0.85738690 14.16346936
-0.00046434 0.00013940 -0.00022839
0.02532866 0.04622763 0.01314331
-1.67835701 -26.17150536 11.17471893
0.00015569 0.00006167 -0.00030299
0.02920613 -0.00086309 -0.00129448
-13.98933512 -4.41846920 -6.97022318
0.00006054 0.00002070 0.00002056
-0.00748331 -0.01379169 -0.01411866
-19.92803016 -12.64593769 -17.61396286
0.00021654 0.00020659 0.00024958
-0.02203149 -0.03551459 -0.01709019
22.82862561 3.53803595 3.06111415
0.00014208 0.00017144 0.00021967
0.00104901 0.01020671 0.00023575
17.57461139 -10.47162485 -14.38839932
-0.00026737 -0.00039213 0.00012603
0.02883191 -0.01796572 0.00380394
-1.91220458 1.71585208 -7.04798255
0.00017202 -0.00013076 -0.00010278
0.02316142 0.01164023 -0.00983564
-4.40792430 -2.97739068 -15.67267379
-0.00022784 0.00015032 -0.00009942
0.01671065 0.02887149 0.00748167
13.41099770 17.37627934 -19.83727979
0.00000644 0.00022221 0.00019406
0.00774338 -0.01785783 -0.00862191
-15.83915813 16.18385681 -12.02415173
0.00051175 0.00009796 0.00003652
0.02851838 -0.00163854 -0.04956975
2.15278039 14.73134512 7.59374117
0.00011800 0.00038168 0.00003386
-0.05453564 0.02317696 -0.00763502
-5.38058755 -9.75838398 2.33481351
0.00000272 -0.00033267 0.00026687
0.02116912 -0.06799392 0.02784768
3.03035088 -6.53438126 2.75614627
-0.00004349 0.00015149 0.00015982
0.00910033 -0.08188620 -0.03027168
10.79201244 5.10198131 4.41001039
-0.00029991 0.00045260 -0.00002615
0.01119001 0.01181271 0.01299355
-8.54459184 -9.50375451 -3.07072536
-0.00014615 0.00025958 -0.00029532
-0.01762162 0.01536135 -0.00536009
3.21939712 -15.91942063 -13.09421267
0.00011836 0.00006058 0.00017800
0.00473513 -0.00361292 -0.00029399
4.72948969 -8.23872757 -5.26198137
-0.00025713 0.00018052 0.00048776
-0.02545804 -0.02932444 0.01287824
18.51778728 1.05719180 24.56499424
-0.00013631 0.00027585 -0.00023401
-0.00289122 0.00349069 -0.00279253
-8.62924332 3.11915296 1.19781259
-0.00007244 -0.00004072 -0.00007011
0.00917426 -0.03248627 -0.02042216
-7.51231271 14.18566016 -10.25577221
0.00023830 -0.00015333 0.00024763
0.03986322 0.01071957 -0.02827371
1.70693776 11.50656126 -8.93437659
-0.00000884 0.00018338 0.00024239
-0.02859825 -0.01697583 -0.02785713
-11.58852185 10.21717285 -13.90184664
0.00025412 0.00011571 0.00006806
0.02589627 0.00848226 -0.02615223
6.78363382 4.57576547 14.68707470
-0.00012766 0.00032277 -0.00027425
0.01675330 -0.05364480 -0.02616322
-14.93849959 9.06670733 -8.95286405
-0.00018484 -0.00019938 0.00009313
0.02222353 -0.02341915 0.00076798
8.46895556 8.20579259 -3.09996290
-0.00002807 -0.00002363 -0.00013011
-0.00915388 0.00427386 -0.04507104
13.81166643 -20.47204896 -25.95380787
-0.00001870 0.00000685 -0.00007360
0.01141510 -0.00099347 -0.00239866
6.11661780 6.72497712 2.49338838
-0.00017197 -0.00004255 -0.00041322
0.01426807 -0.00358945 -0.03724735
18.90933172 -5.83988626 -6.73370760
-0.00031184 -0.00012001 -0.00013421
-0.04995557 0.02457244 0.00099063
-1.68730627 -0.16599169 -2.62538963
0.00006106 -0.00039476 0.00020426
0.00679527 -0.00549134 0.04568406
2.37087817 -1.79295277 -12.02124184
-0.00009876 0.00001083 0.00018575
0.00443581 -0.01907138 -0.00272211
19.92809488 9.39813301 -5.38964202
-0.00048137 0.00000875 -0.00023805
0.06082889 -0.00412533 0.02165551
-7.67273228 6.33850620 9.55086214
-0.00030623 -0.00017160 0.00031824
-0.00421953 -0.00624774 0.02748069
-2.54535537 -14.57006863 11.42406439
-0.00012506 -0.00008839 -0.00005554
0.00037576 -0.01788626 -0.00125447
8.11737761 0.15603120 -4.85537966
-0.00000709 -0.00025197 0.00017670
-0.01865150 0.02697735 -0.05550658
-0.18114625 -10.36887774 0.25290380
-0.00017399 -0.00046015 -0.00011054
-0.00678726 -0.02437120 0.01383827
-20.28102149 -1.13460584 4.81246192
-0.00015356 0.00018961 -0.00001320
-0.02096065 0.02387017 -0.02441152
-4.56629682 7.70025160 -23.68452064
-0.00018277 -0.00015442 0.00007355
-0.00602236 0.00627309 0.02100607
2.67943703 2.13194529 -1.01144262
0.00030446 -0.00019134 0.00025518
-0.03760342 0.02538707 -0.00167917
15.48330498 7.33383022 4.50303268
-0.00002119 0.00004733 -0.00010904
-0.00811002 -0.02435935 0.04417494
-9.94113591 -4.51908799 8.28963345
-0.00055139 0.00030850 0.00085409
-0.01267228 0.00285229 -0.02872522
-9.66166648 -4.66268258 5.26072909
0.00082229 -0.00165195 0.00138956
-0.00435744 0.00218469 0.00672195
-12.59732053 4.51313328 8.17166027
0.00030774 -0.00085593 -0.00056204
0.01195744 0.01232550 -0.00643417
-13.84488553 2.06205678 8.58578253
0.00013679 0.00032489 0.00036518
-0.00203523 -0.02598668 0.00270601
-15.48709678 2.30770506 5.09164261
-0.00020295 -0.00012471 -0.00031355
-0.01059584 -0.02291866 -0.03626191
-17.61364234 0.60842410 3.75370927
0.00024788 0.00082621 -0.00021742
0.02269294 0.00903446 0.00256031
3.04908568 -21.57088686 12.08445267
-0.00023978 -0.00073454 0.00059845
-0.00559156 0.03040935 0.00895924
3.97653900 -19.16464166 13.86909783
0.00050602 0.00052929 -0.00139708
0.03212137 0.00928369 0.02606606
8.67994430 18.79180543 1.08941616
-0.00094377 0.00067173 0.00006835
-0.00133715 0.00132118 -0.00087152
8.46295096 21.55602847 2.28942304
-0.00099484 -0.00071126 0.00086128
0.01024152 -0.01298524 -0.01154438
-11.40065869 11.95464886 16.81926964
-0.00039573 0.00103300 -0.00017597
0.00403420 0.00031867 -0.01076753
-12.62411129 14.22921813 15.75127905
-0.00031172 -0.00009311 -0.00059523
-0.00861498 0.01466082 -0.00610871
-5.07552714 0.15398478 -13.44123981
0.00004211 -0.00010782 -0.00043899
-0.01491101 0.00833718 0.01379462
-6.62815118 0.65884198 -10.85513606
-0.00024312 -0.00033121 0.00109905
0.00653989 -0.00006023 -0.01810871
-7.00904912 6.26070168 -5.09812351
-0.00039254 0.00039576 -0.00062559
0.00499796 -0.00182991 -0.00058817
-9.03649765 8.14760219 -5.36402596
0.00017084 0.00036864 0.00006059
-0.01328010 0.00757858 0.00381960
-7.80805590 -3.10757523 19.03304754
0.00074434 -0.00046944 -0.00020840
-0.00264719 0.02577200 0.02415411
-8.44873299 -5.88384445 18.61215388
-0.00054032 0.00111669 0.00021936
0.00094213 -0.00792046 0.00327928
-23.75975224 -3.60206146 -23.50228164
-0.00075399 0.00035722 -0.00024602
-0.00242943 -0.00906353 -0.00818202
-23.01564852 -4.88053227 -21.12391199
-0.00007972 0.00057713 -0.00074725
0.00229840 -0.00463573 0.00413293
7.18603380 13.29656262 4.33720516
0.00025024 0.00047822 -0.00042121
0.00323152 0.00332335 -0.01166357
8.19897751 11.92652910 6.68989964
-0.00074369 0.00004500 0.00065288
-0.02520249 0.01142069 -0.01307764
24.96269367 28.85647032 -2.36610429
0.00005896 0.00039014 -0.00058160
-0.00236649 0.02506133 -0.01153850
24.09812239 31.58069903 -1.70858740
-0.00008117 -0.00000003 -0.00070622
-0.00910255 0.01082556 0.00890485
9.02868639 -1.70379280 -15.72346559
-0.00045450 0.00141230 -0.00051967
0.01164648 -0.00665108 0.00076060
7.61430243 -2.30180674 -13.31572868
-0.00119965 -0.00119977 -0.00047859
0.00327227 0.01180494 -0.00827430
-7.49852567 0.15492509 15.80291217
0.00120194 0.00070964 -0.00123280
-0.00330285 -0.02076180 -0.02985549
-8.71409445 -2.12236276 14.39218623
0.00077987 -0.00035090 -0.00044592
-0.01846208 -0.02173326 0.00618809
-2.17871996 -26.80069949 12.83321805
0.00018358 -0.00030348 -0.00018737
-0.01811647 -0.00374723 0.00354146
-2.94986302 -25.96097234 9.93204194
0.00047354 -0.00028020 0.00007870
-0.01963833 0.00030571 -0.00670395
-14.65911061 -2.80948650 -6.38001146
0.00074345 0.00010103 -0.00045139
0.00833090 0.00178842 0.00203616
-14.43938741 -4.64615699 -8.74718694
0.00044013 0.00035711 -0.00018538
0.00092611 0.00356422 0.00607612
-19.57717492 -11.06455954 -16.94480669
-0.00091785 -0.00059747 -0.00017906
0.02088053 0.03655969 0.01715336
-18.31964275 -13.46052205 -17.99806121
-0.00011755 -0.00082219 -0.00009199
-0.00171000 0.00458617 -0.00381812
24.10629186 3.60599118 1.68328750
-0.00026147 -0.00077984 -0.00088364
-0.01392632 -0.00500364 0.00495951
22.81688867 5.11072400 3.97626814
-0.00070985 -0.00003078 0.00097482
0.00258740 0.00100172 0.00076601
16.41202308 -9.83600564 -13.19081078
0.00085465 0.00064896 -0.00106036
-0.02047710 0.01538477 0.01790136
16.99763364 -10.06196388 -16.03101943
-0.00038375 0.00060249 0.00012665
-0.00791448 0.00885503 -0.01956656
-0.14905824 1.77978657 -7.79443156
0.00013087 -0.00074243 0.00067702
-0.01837972 0.00761792 0.00708587
-2.27989084 -0.04143307 -7.04550907
-0.00013745 -0.00027229 -0.00074473
-0.00888289 -0.01533663 -0.00962564
-5.11269422 -4.25597127 -16.67901269
0.00078890 -0.00072844 0.00005331
-0.01380487 -0.01847333 -0.01486144
-4.20030003 -1.54612307 -16.83743076
-0.00102899 -0.00043563 -0.00058830
0.00180569 -0.00971368 0.00249749
12.47854454 18.92159817 -20.27098313
0.00049289 0.00004496 0.00071366
-0.00425100 -0.00119579 -0.00021038
12.20857351 16.01353198 -20.23199131
0.00078086 -0.00095859 -0.00028640
0.00526912 0.01266083 -0.00026521
-15.29388854 15.69832415 -13.86405559
0.00023607 0.00027130 0.00074365
-0.00576339 0.01070914 0.04560090
-17.25853848 15.07496562 -12.01551313
0.00083493 0.00065360 0.00050661
-0.01905204 -0.00511403 0.00537003
2.35166695 15.00264448 5.75854577
0.00073891 -0.00060717 -0.00044968
0.01690000 -0.00718638 0.00312081
0.64454532 15.88539487 7.78942582
0.00033154 -0.00051717 0.00036914
0.02530246 -0.02337963 0.01156065
-5.66275733 -8.18935948 1.67920925
0.00069385 0.00064124 0.00072432
-0.00856588 0.05861644 -0.02553785
-3.65547557 -10.25625224 1.83577372
-0.00026899 -0.00003400 -0.00017610
-0.00535982 0.01349622 -0.00346743
3.23809272 -4.87646105 2.95074760
0.00102942 -0.00095978 0.00032658
-0.00009879 0.10279277 0.01846451
4.58405858 -6.86607413 1.74319986
-0.00002293 -0.00117290 0.00094756
-0.00979454 -0.01315735 0.00586202
9.45103350 5.90207580 3.49564450
0.00087664 0.00027242 -0.00025243
-0.01559611 0.01029327 0.00039776
12.06894803 6.43869994 4.70565594
0.00010129 0.00010727 -0.00007327
-0.00493866 -0.01055292 -0.00255267
-7.39183387 -10.76003199 -2.63179922
0.00066059 -0.00012815 -0.00058812
0.03849282 -0.03071875 -0.00656366
-9.42793407 -9.51573235 -1.51329785
0.00025949 -0.00022116 -0.00062240
-0.02454032 0.01081037 0.01620088
4.37930525 -15.86594665 -14.59663893
-0.00033200 0.00082843 0.00017197
-0.01556034 -0.01645321 0.04574165
3.49361890 -17.27610751 -11.72074863
-0.00093560 -0.00000970 -0.00104993
0.00058886 0.02225121 -0.04382060
5.61799782 -6.91121414 -6.05390443
0.00039439 0.00059229 0.00043825
0.01844136 0.02484675 0.00331076
4.96113576 -8.23100749 -3.43081075
0.00020427 0.00019956 -0.00060401
0.00625422 0.00687315 -0.01597591
16.93954808 1.95761967 24.76676048
-0.00033829 -0.00038667 0.00013479
-0.00976525 -0.00907516 -0.00043757
19.70710998 2.44338146 24.34975901
0.00073395 -0.00025008 0.00032222
0.01110421 -0.00074359 0.01105281
-9.85145388 3.96791550 2.29651340
-0.00018339 -0.00022841 0.00020840
0.00083624 0.00190738 0.00939240
-7.18841837 4.14205762 0.92800888
0.00010795 -0.00048237 -0.00020966
0.00467665 0.02305618 -0.00271608
-6.22093233 14.14265441 -8.97611707
0.00069527 0.00014296 0.00088823
0.00220293 0.00481178 0.00484357
-8.96706698 13.57875572 -9.49819028
0.00083792 -0.00009455 -0.00016349
-0.03987914 -0.01630089 0.02240815
0.53127954 10.66057313 -7.80893178
0.00007592 -0.00059491 -0.00050043
0.00327072 0.00564288 -0.00116423
3.01816685 12.07899000 -7.89499028
0.00101780 -0.00028306 -0.00075383
0.02250857 0.01580230 0.02940611
-10.11819149 9.16996834 -13.64309983
-0.00056853 0.00062040 0.00003548
0.00848513 -0.00134355 -0.00868058
-12.53371281 9.68742418 -12.53341198
0.00052290 -0.00041447 -0.00105762
-0.03537119 -0.01130352 0.03871999
7.02893937 6.34878808 14.46914821
-0.00141741 0.00022613 0.00003506
-0.00145557 0.02632504 -0.00460826
7.41360010 3.98897753 12.98211696
0.00010540 -0.00185074 0.00045993
-0.00602053 0.00972324 0.02129849
-13.86339637 10.43142251 -8.43459816
-0.00088802 0.00014225 0.00051083
0.00721859 0.02314687 0.00984457
-16.34243043 9.70134149 -9.81067621
-0.00030786 -0.00075783 0.00078739
-0.03076988 0.00982756 -0.01327759
8.08074466 9.88468668 -2.48175836
-0.00046542 0.00061425 0.00054134
-0.00084840 0.00111861 -0.00111534
7.83275679 8.27832612 -4.94153197
0.00057026 -0.00094878 -0.00002197
0.01161322 -0.00071213 0.05388162
12.12259832 -19.93030549 -26.21737714
0.00069495 0.00025552 0.00019210
-0.01208310 0.00312850 -0.00758916
13.91323996 -20.51162437 -24.13483978
0.00054735 -0.00071898 -0.00048689
0.00121609 0.00390180 0.01323790
6.03638122 4.91101807 2.09255108
0.00026143 0.00109969 0.00075435
-0.00521611 -0.00052286 0.01450764
6.63032368 7.36250563 0.80339260
0.00053860 0.00103896 -0.00006759
-0.00739192 0.00313050 0.01757528
20.26182454 -6.37600493 -5.74731758
-0.00062894 0.00002507 0.00027556
0.02577791 -0.01352711 0.02471493
17.55538438 -5.08045410 -5.56023436
-0.00038680 0.00043775 -0.00046980
0.02182727 -0.01499202 -0.02306317
-2.23134433 0.48831208 -0.94953996
-0.00033138 0.00042598 0.00063704
-0.00900640 -0.00690714 -0.02245957
-2.05269024 1.04111093 -3.96738004
0.00145138 0.00065390 0.00023315
0.00131317 0.00920533 -0.00636549
3.71982497 -3.03996693 -12.24532410
0.00129836 -0.00021842 -0.00018389
-0.00529020 0.00462323 0.00356516
0.80287771 -2.83383109 -11.50173822
0.00102094 0.00072178 0.00003590
0.01114021 0.01435955 -0.00316966
19.14440812 8.41732626 -6.62819273
0.00024054 0.00016202 -0.00015471
-0.02115228 -0.01843519 -0.02889963
21.56610241 8.41801126 -5.07485840
-0.00118761 -0.00001185 -0.00048547
-0.02669180 0.02359247 0.00166772
-7.08272018 4.56623673 9.29211135
0.00050596 -0.00020893 0.00093390
-0.00503465 0.00322964 0.00133143
-8.12821729 6.36324446 11.37719840
-0.00069039 0.00022492 -0.00101416
0.00684677 0.00076669 -0.02363388
-2.91774938 -16.25618076 10.75637454
0.00143997 0.00022591 -0.00076818
0.00658620 0.00939659 0.00843821
-4.15272430 -13.76038558 11.29512729
0.00033995 0.00020290 -0.00072885
-0.01198360 0.00281374 -0.00215911
8.66730371 0.58220448 -3.23101851
0.00005020 -0.00001080 -0.00061066
0.00719367 0.00754611 0.02651705
7.82910503 1.76348236 -5.93484154
-0.00004543 -0.00011882 0.00026989
0.00525722 -0.02786547 0.03539415
0.55234069 -10.98406154 1.86471122
-0.00125536 -0.00029632 0.00009337
0.00141124 0.01198128 -0.01490379
0.01890118 -8.57059575 0.02464392
0.00007111 -0.00023410 -0.00088518
0.00408131 0.00347549 0.00338856
-20.27412192 -1.49170273 6.60419037
-0.00008314 0.00018222 0.00045077
0.00012440 0.00670193 0.01236749
-21.45380911 0.37223943 4.48485871
-0.00036703 0.00043046 0.00016925
0.02739181 -0.02914736 0.01047678
-3.62394762 8.55772520 -25.06110457
0.00139109 0.00174682 0.00016180
-0.00276407 -0.00137837 0.00448193
-4.46143696 8.81147283 -22.21520953
0.00059598 0.00010440 -0.00023960
0.00145152 -0.01064291 -0.01557952
4.34833824 1.56744992 -0.98636480
0.00011593 0.00016446 -0.00067807
0.02053936 -0.02628880 -0.00802183
1.25956798 0.98671357 -1.52882683
0.00070118 -0.00037691 -0.00007584
0.02604570 0.00154445 -0.00556451
15.58100617 7.70191156 6.35668499
-0.00039798 -0.00040766 -0.00077713
0.00143990 -0.00808460 -0.02351434
15.86820905 8.87102463 3.74437900
-0.00051551 -0.00116140 -0.00035698
0.00531577 0.03602390 -0.01864003
-0.23049221 -11.82274420 -13.12263396
0.00025030 -0.00000325 0.00021674
0.01160088 0.00123273 -0.00061271
-13.95114499 14.40155222 22.29055819
-0.00001494 -0.00013637 0.00017082
-0.00053445 -0.00164395 0.00268475
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03198723
0.32074698
427.37927263
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1345375879
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.4276843776 (a.u.)
total exchange computation time: 2.6470520496 s
-154.5090591798
-931.35040960
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0560319767
ExchangeOperator: pair fraction: ispin=0: 0.1345375879
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.4266892077 (a.u.)
total exchange computation time: 2.6462740898 s
-154.5174465998
Anderson extrapolation: theta=1.3433246440 (1.3433246440)
-931.35068275
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1354461871
ExchangeOperator: bisection time: 1.431 s
total exchange = -52.4253045190 (a.u.)
total exchange computation time: 2.6865308285 s
-154.5293705000
Anderson extrapolation: theta=0.0455773727 (0.0455773727)
-931.35089482
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1354461871
ExchangeOperator: bisection time: 1.426 s
total exchange = -52.4251545639 (a.u.)
total exchange computation time: 2.6856510639 s
-154.5305139503
Anderson extrapolation: theta=2.0738899045 (2.0000000000)
-931.35090079
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1354461871
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.4248255876 (a.u.)
total exchange computation time: 2.6847670078 s
-154.5330041850
Anderson extrapolation: theta=0.2501160833 (0.2501160833)
-931.35090706
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1354461871
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.4247355301 (a.u.)
total exchange computation time: 2.6859140396 s
-154.5336697667
Anderson extrapolation: theta=1.6674383975 (1.6674383975)
-931.35090810
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1354461871
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.4246075118 (a.u.)
total exchange computation time: 2.6875419617 s
-154.5345914293
Anderson extrapolation: theta=0.3170670781 (0.3170670781)
-931.35090898
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1354461871
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.4245911019 (a.u.)
total exchange computation time: 2.6857881546 s
-154.5346829464
Anderson extrapolation: theta=1.1345612083 (1.1345612083)
-931.35090913
-164.150678 49.026288 -248.410724
-132.007696 460.662675 -802.402499
-296.158374 509.688963 -1050.813223
1204.865574
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0563226744
ExchangeOperator: pair fraction: ispin=0: 0.1354461871
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.4245919941 (a.u.)
total exchange computation time: 2.7722928524 s
679.76279572
-1085.62659384
89.70844967
-387.80607502
-174.96489363
79.34410813
551.60419304
0.00000000
-931.35090909
-10.86130692 -4.35075211 6.65389839
0.00011870 -0.00019201 -0.00006713
0.01523777 -0.00880917 0.03614992
-13.85907880 3.76772310 9.20236420
0.00018774 0.00034769 -0.00017607
-0.00950157 0.01432695 0.01254748
-15.96019777 1.54051507 3.38775736
-0.00012694 0.00035034 -0.00006953
-0.01112344 0.01322455 0.03116805
2.70098161 -19.80978463 12.84585081
0.00014685 0.00013489 0.00011608
-0.03874071 -0.04280380 -0.03971356
9.59483249 20.36373816 1.33671397
0.00012594 -0.00001194 0.00019142
-0.01745448 0.01737150 0.00720281
-12.12388071 12.56470378 15.23120887
0.00006190 0.00004726 0.00021749
0.01218534 -0.00590939 0.00517576
-6.14425060 1.37657012 -12.56062389
0.00018098 -0.00002180 -0.00041922
0.00055456 -0.00622999 0.01651862
-7.48205706 7.68219542 -6.13839341
-0.00013661 -0.00029722 -0.00027707
0.00139706 -0.00458458 -0.01238230
-7.79435321 -4.38997885 17.82728567
-0.00007211 -0.00019711 0.00009373
0.01058400 -0.01799044 -0.02979804
-23.65769891 -5.31185874 -22.77770285
-0.00021042 -0.00042271 -0.00018827
-0.00246998 0.02136047 -0.00082221
6.62923652 12.75476541 5.97361784
0.00026253 -0.00007964 -0.00014541
0.02842316 -0.01169263 0.01771197
24.82352331 30.60650548 -3.04900178
0.00008042 0.00012549 -0.00008187
0.00469158 -0.03706220 -0.00527589
7.94397992 -0.91095533 -14.49425326
0.00006673 0.00017823 0.00005800
-0.01887134 -0.01359287 0.01951928
-7.50528285 -0.85511759 14.16009415
-0.00045018 0.00016378 -0.00022286
0.02972116 0.04857984 0.00839002
-1.67590895 -26.17058371 11.17016914
0.00017124 0.00006090 -0.00030236
0.03124912 -0.00211628 0.00373665
-13.98845584 -4.41821197 -6.96996931
0.00005683 0.00001309 0.00001293
-0.00697085 -0.01577213 -0.01553550
-19.92486707 -12.64297589 -17.61028508
0.00020476 0.00018555 0.00023970
-0.02377316 -0.04629662 -0.02131639
22.83076090 3.54064695 3.06441016
0.00014267 0.00017664 0.00021961
0.00121765 0.01000482 -0.00049499
17.57071209 -10.47757615 -14.38649423
-0.00025143 -0.00040204 0.00012562
0.03313066 -0.02054561 -0.00539991
-1.90953491 1.71393560 -7.04956224
0.00018347 -0.00012544 -0.00010752
0.02134268 0.00906213 -0.00856667
-4.41127750 -2.97502447 -15.67413620
-0.00021963 0.00016444 -0.00009571
0.01524889 0.02603326 0.00693672
13.41112422 17.37954356 -19.83440221
0.00001079 0.00021157 0.00018967
0.00915233 -0.02351066 -0.00844632
-15.83137182 16.18531985 -12.02379515
0.00052700 0.00009813 0.00001184
0.03077495 0.00232619 -0.04638273
2.15434000 14.73715979 7.59421967
0.00009107 0.00039277 0.00002945
-0.05018054 0.01994183 -0.00953356
-5.38046509 -9.76363623 2.33892401
0.00001287 -0.00036546 0.00028031
0.01828372 -0.05952080 0.02440405
3.02973357 -6.53242479 2.75842685
-0.00003951 0.00010702 0.00014413
0.00640275 -0.09104027 -0.03075727
10.78755702 5.10881591 4.40966831
-0.00029289 0.00045791 -0.00001868
0.01608908 0.00881578 0.01602981
-8.54685205 -9.49980156 -3.07517589
-0.00015336 0.00026605 -0.00029847
-0.01043703 0.00981885 -0.00688369
3.22119078 -15.91852590 -13.09154383
0.00012009 0.00005972 0.00017731
0.00199876 0.00028009 -0.00238569
4.72553447 -8.23613290 -5.25461532
-0.00026957 0.00016681 0.00049171
-0.02288359 -0.02398071 0.00248203
18.51573151 1.06134298 24.56147338
-0.00013741 0.00027734 -0.00023551
-0.00139662 0.00231791 -0.00305263
-8.63029458 3.11841693 1.19668221
-0.00006811 -0.00005742 -0.00008036
0.00769448 -0.03249327 -0.01943126
-7.50858446 14.18340149 -10.25216684
0.00026117 -0.00014722 0.00023353
0.04909273 0.01307404 -0.02654553
1.70669490 11.50924654 -8.93084817
-0.00002322 0.00017492 0.00022773
-0.02732056 -0.01593479 -0.02914104
-11.58461014 10.21894115 -13.90092654
0.00026703 0.00012167 0.00005301
0.02429837 0.01471767 -0.03237243
6.78178350 4.58040003 14.68286007
-0.00011921 0.00029407 -0.00028725
0.01610972 -0.05793989 -0.02439540
-14.94118653 9.06362636 -8.95146409
-0.00017272 -0.00021152 0.00009393
0.02490807 -0.02380933 0.00231262
8.46849916 8.20545460 -3.10208845
-0.00003281 -0.00002016 -0.00015199
-0.00926419 0.00924630 -0.04000506
13.81143002 -20.47195003 -25.95492118
-0.00001151 0.00000586 -0.00007530
0.01651103 -0.00286440 -0.00420059
6.11409325 6.72432508 2.48704640
-0.00016446 -0.00004162 -0.00043187
0.01496099 0.00718903 -0.03528434
18.90446145 -5.84159168 -6.73571687
-0.00033743 -0.00010736 -0.00013373
-0.04958045 0.02465179 0.00085988
-1.68636410 -0.17193425 -2.62214955
0.00006406 -0.00039656 0.00022814
0.00483814 -0.00149526 0.04718862
2.36941382 -1.79286385 -12.01846606
-0.00009363 0.00000065 0.00018375
0.01552118 -0.02054230 -0.00504656
19.92110894 9.39824828 -5.39312922
-0.00045033 0.00000745 -0.00022642
0.05988588 -0.00090097 0.02354818
-7.67734194 6.33590815 9.55574179
-0.00030776 -0.00017515 0.00033033
-0.00173015 -0.00755547 0.01950144
-2.54722976 -14.57146350 11.42322639
-0.00012405 -0.00009706 -0.00005588
0.00354618 -0.01580699 -0.00006068
8.11719926 0.15235570 -4.85294335
-0.00001718 -0.00023829 0.00014686
-0.02058725 0.02623359 -0.06053194
-0.18378232 -10.37587405 0.25129906
-0.00017770 -0.00047186 -0.00010406
-0.00762489 -0.02114878 0.01134796
-20.28340572 -1.13166957 4.81216979
-0.00016449 0.00020188 -0.00002476
-0.02155798 0.02381334 -0.02054023
-4.56906166 7.69795956 -23.68333643
-0.00018438 -0.00014971 0.00008249
-0.00021732 0.01203316 0.01376252
2.68385890 2.12917304 -1.00762135
0.00028461 -0.00017814 0.00025445
-0.03957309 0.02596807 -0.00118071
15.48295586 7.33444613 4.50156751
-0.00002603 0.00003229 -0.00008642
-0.01069606 -0.03411634 0.04377603
-9.94979501 -4.51437307 8.30156462
-0.00060527 0.00032026 0.00073266
-0.01370477 0.00290495 -0.03071845
-9.64946562 -4.68739482 5.28177844
0.00080613 -0.00164263 0.00141281
-0.00355381 0.00237480 0.00466114
-12.59233807 4.50067198 8.16303255
0.00035888 -0.00080315 -0.00058975
0.01307648 0.01351418 -0.00712947
-13.84289606 2.06613379 8.59134317
0.00012730 0.00021691 0.00037631
-0.00260992 -0.02687028 0.00274279
-15.49046570 2.30513213 5.08582815
-0.00024447 -0.00021563 -0.00045696
-0.00973041 -0.02158954 -0.03393509
-17.60922881 0.62109406 3.75052643
0.00033524 0.00086010 -0.00020649
0.02006990 0.00755348 0.00279210
3.04531764 -21.58097309 12.09370402
-0.00026290 -0.00060532 0.00063572
-0.00572423 0.03284211 0.00928102
3.98511354 -19.15641784 13.84894034
0.00064307 0.00057044 -0.00128608
0.03496497 0.01085756 0.02826786
8.66574677 18.80192193 1.09041473
-0.00094689 0.00067500 0.00006364
-0.00018814 0.00027802 -0.00143418
8.44834222 21.54496163 2.30198844
-0.00094726 -0.00076495 0.00081042
0.01304777 -0.01329521 -0.01335086
-11.40647099 11.97015370 16.81630020
-0.00037425 0.00102938 -0.00020947
0.00647745 -0.00209075 -0.00563396
-12.62905107 14.22827066 15.74216337
-0.00034770 -0.00003006 -0.00061947
-0.00899801 0.01620265 -0.00575789
-5.07535238 0.15262302 -13.44740200
-0.00001816 -0.00007460 -0.00038262
-0.01459127 0.00792168 0.01380228
-6.63159754 0.65387193 -10.83920516
-0.00021227 -0.00032647 0.00101038
0.00856243 0.00237994 -0.02529891
-7.01478410 6.26658195 -5.10752537
-0.00036851 0.00037819 -0.00062065
0.00676799 -0.00676838 0.00300554
-9.03434202 8.15336408 -5.36300003
0.00011795 0.00039949 0.00007548
-0.01261046 0.00751853 0.00346593
-7.79697189 -3.11382707 19.03066172
0.00073416 -0.00035811 -0.00010556
-0.00233616 0.02872504 0.02618430
-8.45680885 -5.86733677 18.61554478
-0.00054144 0.00107211 0.00023790
-0.00149408 -0.01390493 0.00579564
-23.77113659 -3.59698090 -23.50622264
-0.00076349 0.00031078 -0.00027688
-0.00221691 -0.01366801 -0.00692472
-23.01677384 -4.87201735 -21.13499409
-0.00006862 0.00055772 -0.00072614
0.00313495 -0.00486699 0.00619823
7.18988648 13.30383781 4.33052953
0.00026309 0.00048863 -0.00046174
0.00305847 0.00177087 -0.00817377
8.18704983 11.92755408 6.69929214
-0.00084037 0.00008966 0.00059922
-0.02211914 0.01044002 -0.01319086
24.96350555 28.86309033 -2.37518182
0.00004972 0.00048742 -0.00062587
-0.00215865 0.02256016 -0.01013483
24.09662585 31.58103026 -1.71890778
-0.00012112 0.00004756 -0.00066405
-0.01044945 0.01247182 0.01173587
9.02222573 -1.68281204 -15.73123728
-0.00040345 0.00138127 -0.00052026
0.01334583 -0.00854033 -0.00105348
7.59640792 -2.31944151 -13.32316105
-0.00118233 -0.00114226 -0.00052115
0.00520742 0.01634418 -0.01256090
-7.48059782 0.16493349 15.78350530
0.00118507 0.00062560 -0.00134829
-0.00495167 -0.02037784 -0.02667991
-8.70296212 -2.12829220 14.38568711
0.00069884 -0.00044486 -0.00041726
-0.02120081 -0.02426281 0.00784020
-2.17652135 -26.80536655 12.83051603
0.00011058 -0.00031755 -0.00017661
-0.01761745 -0.00313922 0.00172508
-2.94336170 -25.96516592 9.93301706
0.00038710 -0.00027796 0.00004551
-0.02267428 0.00079101 -0.00954267
-14.64770358 -2.80791618 -6.38671996
0.00077570 0.00011250 -0.00044079
0.00745507 0.00382508 0.00315471
-14.43275707 -4.64069114 -8.74978149
0.00044436 0.00037128 -0.00015969
0.00114596 0.00337498 0.00649975
-19.59030283 -11.07240132 -16.94696688
-0.00082680 -0.00043011 -0.00010162
0.02368959 0.04536559 0.02075047
-18.32145844 -13.47271441 -17.99955799
-0.00012661 -0.00079977 -0.00010650
-0.00272186 0.00638881 -0.00328498
24.10194302 3.59414021 1.67018482
-0.00032054 -0.00079774 -0.00085874
-0.01498585 -0.00375873 0.00723054
22.80632022 5.11029306 3.99091384
-0.00069718 -0.00002933 0.00097376
0.00361445 -0.00029543 -0.00128344
16.42421542 -9.82579975 -13.20616759
0.00075913 0.00071859 -0.00097235
-0.02628217 0.01869898 0.02517639
16.99163490 -10.05265524 -16.02971925
-0.00041267 0.00063626 0.00005052
-0.00624520 0.00767851 -0.01769818
-0.14765842 1.76888353 -7.78405915
0.00005958 -0.00070972 0.00070379
-0.01651462 0.00839627 0.00601857
-2.28222481 -0.04598734 -7.05697502
-0.00017363 -0.00033073 -0.00078318
-0.00882853 -0.01327160 -0.00919489
-5.10128379 -4.26746399 -16.67866848
0.00073453 -0.00080144 -0.00000476
-0.01281040 -0.01725836 -0.01356050
-4.21567957 -1.55295516 -16.84617867
-0.00102077 -0.00047210 -0.00057973
0.00221854 -0.00813701 0.00169430
12.48580760 18.92223597 -20.26028471
0.00047073 0.00004348 0.00071125
-0.00659458 0.00046878 -0.00097061
12.22044780 15.99954104 -20.23629539
0.00080487 -0.00089972 -0.00028635
0.00648560 0.01615658 0.00028670
-15.29052403 15.70272179 -13.85150348
0.00021505 0.00031319 0.00092249
-0.00452845 0.00979799 0.04194201
-17.24659841 15.08461284 -12.00774939
0.00074926 0.00062677 0.00052879
-0.02288182 -0.00801608 0.00548525
2.36326842 14.99331676 5.75189618
0.00080525 -0.00063524 -0.00043155
0.01557364 -0.00655743 0.00575431
0.65029378 15.87692097 7.79531711
0.00042884 -0.00060680 0.00041503
0.02232445 -0.02049760 0.01090309
-5.65261213 -8.17794462 1.68929142
0.00066127 0.00086606 0.00062698
-0.00738098 0.05143468 -0.02210648
-3.65967474 -10.25634863 1.83302602
-0.00028790 0.00001911 -0.00019033
-0.00389566 0.01250050 -0.00349919
3.25353102 -4.88770790 2.95621210
0.00103312 -0.00052163 0.00040450
0.00190778 0.11168523 0.01967810
4.58341451 -6.88407089 1.75759285
-0.00006158 -0.00122639 0.00096962
-0.00912475 -0.01302152 0.00493942
9.46370524 5.90647745 3.49187031
0.00080334 0.00032001 -0.00025741
-0.02028661 0.01300666 -0.00283757
12.07031600 6.43998568 4.70447871
0.00008131 0.00006412 -0.00008354
-0.00483991 -0.01056893 -0.00247675
-7.38074546 -10.76289562 -2.64082212
0.00080670 -0.00024195 -0.00061846
0.03302635 -0.02498499 -0.00829124
-9.42479375 -9.51871854 -1.52213743
0.00015598 -0.00017770 -0.00054934
-0.02612728 0.01046349 0.01956130
4.37384844 -15.85402436 -14.59265772
-0.00039290 0.00076005 0.00035593
-0.01425208 -0.01702214 0.04430974
3.47960300 -17.27557117 -11.73784033
-0.00092999 0.00007456 -0.00122168
0.00215756 0.01899268 -0.04025265
5.62447876 -6.90156846 -6.04722922
0.00046319 0.00068412 0.00045646
0.01523730 0.02010773 0.00560064
4.96439141 -8.22780342 -3.44036049
0.00023126 0.00022685 -0.00065291
0.00695826 0.00648304 -0.00795964
16.93417450 1.95154153 24.76876897
-0.00037784 -0.00042111 0.00013263
-0.00959391 -0.00778283 -0.00062251
19.71845943 2.43960753 24.35493101
0.00077624 -0.00025286 0.00036810
0.00960122 -0.00061912 0.01140417
-9.85417914 3.96454780 2.29992725
-0.00017749 -0.00022128 0.00024507
0.00205087 0.00158204 0.00855856
-7.18665588 4.13552859 0.92478071
0.00012738 -0.00038727 -0.00022048
0.00483572 0.02349335 -0.00257688
-6.21043584 14.14494623 -8.96264522
0.00069539 0.00016271 0.00089925
-0.00214232 0.00485825 0.00055182
-8.95572027 13.57683793 -9.49995599
0.00066499 -0.00016565 -0.00006669
-0.04476835 -0.01850378 0.02497803
0.53251858 10.65182238 -7.81647394
0.00009007 -0.00057171 -0.00050225
0.00365580 0.00571484 0.00027449
3.03412358 12.07522834 -7.90539657
0.00110622 -0.00022075 -0.00063380
0.02077405 0.01469701 0.02934727
-10.12645935 9.17923323 -13.64283367
-0.00052048 0.00060693 0.00000102
0.01503546 -0.00525373 -0.00818545
-12.52695312 9.68086079 -12.54808984
0.00036838 -0.00046537 -0.00088742
-0.04026754 -0.01361409 0.04459735
7.00763367 6.35298674 14.46953285
-0.00142140 0.00033578 0.00001226
-0.00050112 0.02734898 -0.00655316
7.41499657 3.96151438 12.98966857
0.00008110 -0.00180464 0.00054761
-0.00587281 0.01284216 0.02162069
-13.87649550 10.43426561 -8.42663410
-0.00085814 0.00023625 0.00055107
0.00740949 0.02286552 0.00985333
-16.34799127 9.69027513 -9.79927228
-0.00043928 -0.00071540 0.00072955
-0.03356014 0.01094622 -0.01503611
8.07373732 9.89393475 -2.47367240
-0.00046635 0.00060633 0.00053004
0.00039435 -0.00499458 -0.00441670
7.84166659 8.26407259 -4.94021036
0.00061579 -0.00094925 0.00019487
0.01067473 0.00048150 0.05226000
12.13265231 -19.92637689 -26.21472817
0.00063565 0.00027176 0.00016017
-0.01694570 0.00482136 -0.00804124
13.92148748 -20.52228953 -24.14173748
0.00055213 -0.00070293 -0.00042849
0.00112190 0.00395455 0.01534916
6.04014285 4.92749742 2.10431096
0.00023952 0.00108014 0.00080696
-0.00550963 -0.00904847 0.01124493
6.63817610 7.37818589 0.80291736
0.00050676 0.00104769 0.00000667
-0.00819179 0.00114340 0.01877502
20.25318035 -6.37604342 -5.74242686
-0.00052407 -0.00002993 0.00037629
0.02555517 -0.01339532 0.02459556
17.55025116 -5.07434726 -5.56798809
-0.00029777 0.00037572 -0.00056358
0.02175453 -0.01537349 -0.02284379
-2.23659104 0.49449013 -0.94067261
-0.00036506 0.00039407 0.00053815
-0.00748077 -0.00871131 -0.02594555
-2.03087933 1.05120153 -3.96407788
0.00145716 0.00068651 0.00020998
0.00151714 0.00675587 -0.00497497
3.73913821 -3.04310160 -12.24797320
0.00126314 -0.00018945 -0.00016692
-0.01194773 0.00955860 0.00473999
0.81853318 -2.82256437 -11.50129681
0.00105834 0.00077325 0.00002526
0.00716852 0.01083406 -0.00203985
19.14736803 8.41919165 -6.63139894
0.00014891 0.00008298 -0.00027804
-0.02370321 -0.02025707 -0.03147116
21.54747036 8.41855649 -5.08208934
-0.00128949 0.00008181 -0.00047672
-0.02318122 0.02225491 0.00261705
-7.07528512 4.56320170 9.30616068
0.00048455 -0.00019371 0.00093888
-0.00544355 0.00422186 0.00110391
-8.13836336 6.36664176 11.36126184
-0.00066621 0.00022840 -0.00109469
0.00498894 0.00093604 -0.01578596
-2.89594793 -16.25250415 10.74511042
0.00146379 0.00026045 -0.00073512
0.00507177 0.00750812 0.00774703
-4.14799226 -13.75725581 11.28412840
0.00028736 0.00021405 -0.00073858
-0.01375753 0.00264442 -0.00260417
8.66827712 0.58227370 -3.23936577
0.00008363 0.00002234 -0.00049158
0.00916988 0.00867659 0.03177084
7.82858468 1.76084623 -5.92970866
-0.00002420 -0.00023320 0.00041397
0.00513406 -0.02812407 0.03513431
0.53355351 -10.98813916 1.86565502
-0.00124703 -0.00024807 0.00003561
0.00266833 0.01163543 -0.01337042
0.02009289 -8.57400080 0.01146999
0.00008695 -0.00022521 -0.00086964
0.00367131 0.00087982 0.00422044
-20.27536524 -1.48876413 6.61133083
-0.00008294 0.00021088 0.00049353
-0.00002515 0.00732755 0.00856397
-21.45847514 0.37780323 4.48771847
-0.00025371 0.00030992 0.00021207
0.02807937 -0.02986017 0.01048426
-3.60316604 8.58388524 -25.05854017
0.00136894 0.00172955 0.00019016
-0.00807837 -0.00707613 0.00939995
-4.45245279 8.81271274 -22.21928097
0.00060041 0.00006051 -0.00029953
0.00071873 -0.01084114 -0.01375586
4.35070661 1.56911124 -0.99678163
0.00020478 0.00005642 -0.00071106
0.02295396 -0.02659509 -0.00813073
1.27088373 0.98110730 -1.53013495
0.00080569 -0.00037105 -0.00009847
0.02511604 0.00132078 -0.00551450
15.57508053 7.69554895 6.34430746
-0.00039123 -0.00043780 -0.00086385
0.00186539 -0.00666856 -0.01893501
15.86063936 8.85470749 3.73845305
-0.00048943 -0.00099729 -0.00044119
0.00744867 0.04430905 -0.02258126
-0.22670656 -11.82278962 -13.11938454
0.00025446 -0.00000279 0.00021651
0.01163796 0.00131763 -0.00065204
-13.95137005 14.39950374 22.29312518
-0.00001507 -0.00013678 0.00017144
-0.00060394 -0.00183076 0.00269312
22.188423
22.188423
22.188423
90.000
90.000
90.000
10923.940
-931.03197241
0.31893669
424.96714457
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1359653867
ExchangeOperator: bisection time: 1.430 s
total exchange = -52.4410688266 (a.u.)
total exchange computation time: 2.6754851341 s
-154.5528584257
-931.35009062
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1359653867
ExchangeOperator: bisection time: 1.430 s
total exchange = -52.4398614353 (a.u.)
total exchange computation time: 2.6742990017 s
-154.5629360833
Anderson extrapolation: theta=1.3351304660 (1.3351304660)
-931.35037923
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1359653867
ExchangeOperator: bisection time: 1.431 s
total exchange = -52.4381429725 (a.u.)
total exchange computation time: 2.6752531528 s
-154.5770288931
Anderson extrapolation: theta=0.0510791749 (0.0510791749)
-931.35054767
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1359653867
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.4379720336 (a.u.)
total exchange computation time: 2.6741218567 s
-154.5783348213
Anderson extrapolation: theta=1.9287399558 (1.9287399558)
-931.35055364
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1359653867
ExchangeOperator: bisection time: 1.430 s
total exchange = -52.4376181872 (a.u.)
total exchange computation time: 2.6761801243 s
-154.5810215058
Anderson extrapolation: theta=0.2310923761 (0.2310923761)
-931.35055956
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1359653867
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.4375307366 (a.u.)
total exchange computation time: 2.6751558781 s
-154.5816718486
Anderson extrapolation: theta=1.8782858899 (1.8782858899)
-931.35056062
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1359653867
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.4373900031 (a.u.)
total exchange computation time: 2.6744620800 s
-154.5826971182
Anderson extrapolation: theta=0.2861242555 (0.2861242555)
-931.35056169
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1359653867
ExchangeOperator: bisection time: 1.429 s
total exchange = -52.4373745766 (a.u.)
total exchange computation time: 2.6755650043 s
-154.5827860417
Anderson extrapolation: theta=1.2662170306 (1.2662170306)
-931.35056189
-164.091133 49.042896 -248.434869
-131.961760 460.683279 -802.464577
-296.052894 509.726175 -1050.899447
1204.930594
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1359653867
ExchangeOperator: bisection time: 1.427 s
total exchange = -52.4373748240 (a.u.)
total exchange computation time: 2.7100830078 s
total_electronic_charge: 430.00000000
ExchangeOperator: bisection size: ispin=0: 0.0564680233
ExchangeOperator: pair fraction: ispin=0: 0.1359653867
ExchangeOperator: bisection time: 1.428 s
total exchange = -52.4373748240 (a.u.)
total exchange computation time: 2.7124779224 s
[qbox] save md174.xml
SampleWriter: write time: 1.695 s
SampleWriter: file size: 1595163516
SampleWriter: aggregate write rate: 897.30 MB/s
[qbox] End of command stream
5194.65
2013-11-25T00:46:55Z